smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)N(c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1)C1CC1 ZINC000295195065 563234810 /nfs/dbraw/zinc/23/48/10/563234810.db2.gz LVRXXMVVHFLWTK-UHFFFAOYSA-N -2 0 380.447 2.762 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(OC[C@@H]3CCCO3)c2)cs1 ZINC000298869963 563369748 /nfs/dbraw/zinc/36/97/48/563369748.db2.gz SVGFTQRERKVMDW-ZDUSSCGKSA-N -2 0 383.447 2.805 20 0 GFADRL CCn1cc(S(=O)(=O)[N-]c2cccc(OC(F)(F)F)c2)cc1C(=O)[O-] ZINC000326880076 563456434 /nfs/dbraw/zinc/45/64/34/563456434.db2.gz BWTDTLMAELRNCA-UHFFFAOYSA-N -2 0 378.328 2.906 20 0 GFADRL CNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000327775718 563459331 /nfs/dbraw/zinc/45/93/31/563459331.db2.gz VNXNLHWFTLVSST-UHFFFAOYSA-N -2 0 382.825 2.507 20 0 GFADRL CCn1ncc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1C(F)(F)F ZINC000410405567 563589910 /nfs/dbraw/zinc/58/99/10/563589910.db2.gz RRZIRABEJPGWDA-UHFFFAOYSA-N -2 0 377.344 2.729 20 0 GFADRL COC(=O)c1scc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C ZINC000436178402 563667131 /nfs/dbraw/zinc/66/71/31/563667131.db2.gz HTBSNQMOHSWCDN-UHFFFAOYSA-N -2 0 387.410 2.790 20 0 GFADRL O=C(N=c1nc(-c2cccnc2)[n-]s1)c1cc(Br)ccc1[O-] ZINC000436603904 563675277 /nfs/dbraw/zinc/67/52/77/563675277.db2.gz IRGSBZCBNFXMSW-UHFFFAOYSA-N -2 0 377.223 2.742 20 0 GFADRL O=C([O-])c1ccc([O-])c(S(=O)(=O)Nc2cc(F)ccc2Br)c1 ZINC000436743507 563679025 /nfs/dbraw/zinc/67/90/25/563679025.db2.gz YMDNAUCTFHEIDS-UHFFFAOYSA-N -2 0 390.186 2.793 20 0 GFADRL COc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(C)o2)cc1OC(F)F ZINC000538011223 564179937 /nfs/dbraw/zinc/17/99/37/564179937.db2.gz HZIBDUXRYPJONZ-UHFFFAOYSA-N -2 0 377.321 2.697 20 0 GFADRL C[C@@H](OC(C)(C)C)[C@H]([N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)C(=O)[O-] ZINC000563226124 564180523 /nfs/dbraw/zinc/18/05/23/564180523.db2.gz NRSLSLCVJOYPKY-HQJQHLMTSA-N -2 0 385.816 2.553 20 0 GFADRL COCc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])c1 ZINC000506597752 564205442 /nfs/dbraw/zinc/20/54/42/564205442.db2.gz AJSDLRGCEWGOET-UHFFFAOYSA-N -2 0 385.825 2.994 20 0 GFADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C[C@H](C)C(=O)[O-])cc2)s1 ZINC000541807812 564289772 /nfs/dbraw/zinc/28/97/72/564289772.db2.gz UCNLGNDARANJLI-JTQLQIEISA-N -2 0 383.447 2.599 20 0 GFADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000509590938 564305268 /nfs/dbraw/zinc/30/52/68/564305268.db2.gz OBVPNTGBDJNQTL-UHFFFAOYSA-N -2 0 387.772 2.985 20 0 GFADRL O=C([O-])c1cc(N2CCCC2)ccc1[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000542733781 564322589 /nfs/dbraw/zinc/32/25/89/564322589.db2.gz ISCUGVKFXUYFIY-UHFFFAOYSA-N -2 0 381.841 2.834 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C[C@H](C)C(=O)[O-])cc2)cs1 ZINC000542731438 564323045 /nfs/dbraw/zinc/32/30/45/564323045.db2.gz ORECOYMGXGTTSZ-JTQLQIEISA-N -2 0 383.447 2.599 20 0 GFADRL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(CC(F)(F)F)c1 ZINC000476398778 564337767 /nfs/dbraw/zinc/33/77/67/564337767.db2.gz GRKNSNSRINNDMP-UHFFFAOYSA-N -2 0 397.762 2.906 20 0 GFADRL C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2cc(Br)cc(Cl)c2[O-])C1 ZINC000567269622 564364269 /nfs/dbraw/zinc/36/42/69/564364269.db2.gz PFVLSBQMWBFLOU-YUMQZZPRSA-N -2 0 376.634 2.991 20 0 GFADRL CCc1noc2ncc(S(=O)(=O)[N-]c3ccc(Cl)c(C(=O)[O-])c3)cc12 ZINC000545831590 564433620 /nfs/dbraw/zinc/43/36/20/564433620.db2.gz BFBMJFWYHUANSE-UHFFFAOYSA-N -2 0 381.797 2.938 20 0 GFADRL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1O ZINC000479431852 564439627 /nfs/dbraw/zinc/43/96/27/564439627.db2.gz YUKLFRKJHOBOHD-UHFFFAOYSA-N -3 0 385.781 2.551 20 0 GFADRL O=C([O-])c1ccc(C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])o1 ZINC000547609976 564502447 /nfs/dbraw/zinc/50/24/47/564502447.db2.gz UFNGZDGWVKWPGE-UHFFFAOYSA-N -2 0 395.176 2.671 20 0 GFADRL CSc1ccccc1S(=O)(=O)[N-]c1cc2c(cc1C(=O)[O-])OCCO2 ZINC000547703364 564507732 /nfs/dbraw/zinc/50/77/32/564507732.db2.gz WKRADHZFMXQNKU-UHFFFAOYSA-N -2 0 381.431 2.679 20 0 GFADRL Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])c(Br)c1 ZINC000481447492 564512733 /nfs/dbraw/zinc/51/27/33/564512733.db2.gz CLRLQNCNGAJTCN-UHFFFAOYSA-N -2 0 386.223 2.962 20 0 GFADRL CC(=O)Nc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])c(Cl)c1 ZINC000481432169 564512759 /nfs/dbraw/zinc/51/27/59/564512759.db2.gz DLVHOHCIIKXOSQ-UHFFFAOYSA-N -2 0 384.797 2.503 20 0 GFADRL COC(=O)c1scc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000548032228 564529459 /nfs/dbraw/zinc/52/94/59/564529459.db2.gz HUEYMRQTPKLHQJ-UHFFFAOYSA-N -2 0 383.447 2.959 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)c(F)c2)cs1 ZINC000483133903 564558916 /nfs/dbraw/zinc/55/89/16/564558916.db2.gz CFGBAUPEJJVPRU-UHFFFAOYSA-N -2 0 384.410 2.513 20 0 GFADRL Cc1nc(-c2ccc(C)c([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)c2)n[nH]1 ZINC000484647207 564593853 /nfs/dbraw/zinc/59/38/53/564593853.db2.gz ZCTRVDNVEIGORD-UHFFFAOYSA-N -2 0 378.435 2.649 20 0 GFADRL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000485277058 564612061 /nfs/dbraw/zinc/61/20/61/564612061.db2.gz WKTUYOHMAUFCHH-UHFFFAOYSA-N -2 0 387.772 2.985 20 0 GFADRL Cc1noc(C)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1OC(F)(F)F ZINC000486087934 564638606 /nfs/dbraw/zinc/63/86/06/564638606.db2.gz BJQBSBUIXCCIFX-UHFFFAOYSA-N -2 0 380.300 2.689 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2cc(F)c(C(=O)[O-])cc2OC)c(Cl)c1 ZINC000573595172 564645598 /nfs/dbraw/zinc/64/55/98/564645598.db2.gz IJWWVNRNPVMDPE-UHFFFAOYSA-N -2 0 389.788 2.995 20 0 GFADRL O=C([O-])[C@H](CC(F)F)NS(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000551996418 564671927 /nfs/dbraw/zinc/67/19/27/564671927.db2.gz NRRSHUUTFRNVNQ-ZETCQYMHSA-N -2 0 381.706 2.746 20 0 GFADRL COC(=O)C(C)(C)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC000525018924 564692163 /nfs/dbraw/zinc/69/21/63/564692163.db2.gz JBYIIHDXUMSLNF-UHFFFAOYSA-N -2 0 383.447 2.698 20 0 GFADRL COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cc1F ZINC000489596066 564745736 /nfs/dbraw/zinc/74/57/36/564745736.db2.gz BLXQQBRGXDEARK-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL CCCC[C@H]([N-]S(=O)(=O)c1cc(F)c(Br)cc1F)C(=O)[O-] ZINC000462392461 564836466 /nfs/dbraw/zinc/83/64/66/564836466.db2.gz IAKXUYIYGRPPTD-JTQLQIEISA-N -2 0 386.214 2.649 20 0 GFADRL CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2cc(Cl)cnc2N)cc1)C(=O)[O-] ZINC000463776782 564889702 /nfs/dbraw/zinc/88/97/02/564889702.db2.gz HNWOHPWPHTXAPU-NSHDSACASA-N -2 0 383.857 2.771 20 0 GFADRL CCc1cc(=O)c2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)ccc2[nH]1 ZINC000537397212 565058211 /nfs/dbraw/zinc/05/82/11/565058211.db2.gz SSLKJKCSDZVCAI-UHFFFAOYSA-N -2 0 378.431 2.651 20 0 GFADRL C[C@@H](Oc1ccccc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1)C(F)(F)F ZINC000584313525 565076134 /nfs/dbraw/zinc/07/61/34/565076134.db2.gz UVBCTPVZYLYLSK-MRVPVSSYSA-N -2 0 378.328 2.843 20 0 GFADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cnc2onc(C)c2c1 ZINC000588625539 565134363 /nfs/dbraw/zinc/13/43/63/565134363.db2.gz QCCGPJQYTGHVPJ-UHFFFAOYSA-N -2 0 379.419 2.752 20 0 GFADRL CCNC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000614841901 565135325 /nfs/dbraw/zinc/13/53/25/565135325.db2.gz CUGRIXGKUCKFSV-UHFFFAOYSA-N -2 0 388.854 2.650 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2ccccc2NC(=O)N(C)C)sc1C(=O)[O-] ZINC000615954192 565181309 /nfs/dbraw/zinc/18/13/09/565181309.db2.gz ZEJSWFLZZXDHBA-UHFFFAOYSA-N -2 0 383.451 2.649 20 0 GFADRL CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)s1 ZINC000590565985 565191873 /nfs/dbraw/zinc/19/18/73/565191873.db2.gz YOVAHVBGWBSGBE-JTQLQIEISA-N -2 0 382.463 2.753 20 0 GFADRL CCCSc1nc(=NC(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)s[n-]1 ZINC000649540843 565765045 /nfs/dbraw/zinc/76/50/45/565765045.db2.gz HSQUKKMZVONNBS-MRXNPFEDSA-N -2 0 380.495 2.626 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2OCCCCO)s1 ZINC000629328729 565843797 /nfs/dbraw/zinc/84/37/97/565843797.db2.gz PVYAOTBSQRVQMQ-UHFFFAOYSA-N -2 0 385.463 2.707 20 0 GFADRL CC(C)N(C)C(=O)c1ccccc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000655593718 566069231 /nfs/dbraw/zinc/06/92/31/566069231.db2.gz HVQVGBQDYQLVRR-UHFFFAOYSA-N -2 0 382.463 2.728 20 0 GFADRL COc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(C(=O)[O-])c1 ZINC000681557066 566110984 /nfs/dbraw/zinc/11/09/84/566110984.db2.gz MJAUGGBZCWRJLL-UHFFFAOYSA-N -3 0 385.781 2.546 20 0 GFADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@H](C(=O)[O-])c2ccccc21 ZINC000656643728 566153338 /nfs/dbraw/zinc/15/33/38/566153338.db2.gz KBCCOABOQRRAAI-NSHDSACASA-N -2 0 381.431 2.522 20 0 GFADRL O=C([O-])CCCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1O ZINC000739667588 599741725 /nfs/dbraw/zinc/74/17/25/599741725.db2.gz KVGDZWDEYXVMCT-KRWDZBQOSA-N -2 0 384.432 2.521 20 0 GFADRL CCn1c(=O)c2ccc(C(=O)Nc3ccc(CCC(=O)[O-])cc3)cc2[n-]c1=S ZINC000737295209 599769405 /nfs/dbraw/zinc/76/94/05/599769405.db2.gz GGADLZUBATZPDO-UHFFFAOYSA-N -2 0 397.456 2.975 20 0 GFADRL Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)NC[C@H](C)C(=O)[O-])c1 ZINC000262544101 599776521 /nfs/dbraw/zinc/77/65/21/599776521.db2.gz SEHNVSMGHWDCNM-AWEZNQCLSA-N -2 0 390.461 2.555 20 0 GFADRL CCOCc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C(=O)OC)c1 ZINC000737177708 599815686 /nfs/dbraw/zinc/81/56/86/599815686.db2.gz HUUJTAKVIKDZSD-UHFFFAOYSA-N -2 0 399.446 2.570 20 0 GFADRL COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1ccc(CCC(=O)[O-])cc1 ZINC000737652222 599853379 /nfs/dbraw/zinc/85/33/79/599853379.db2.gz UENCXCHTAMRBRE-UHFFFAOYSA-N -2 0 377.418 2.600 20 0 GFADRL COC(=O)c1c(C)c(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc(F)c(C)c1 ZINC000737651021 599925643 /nfs/dbraw/zinc/92/56/43/599925643.db2.gz PYFBZMNVRHMMSA-UHFFFAOYSA-N -2 0 387.410 2.790 20 0 GFADRL CC1=C(C(=O)[O-])[C@@H](c2ccc(OCCC(=O)[O-])cc2)NC(=O)N1CC(C)C ZINC000736752223 599984699 /nfs/dbraw/zinc/98/46/99/599984699.db2.gz VOEYIGJAFFZIBJ-QGZVFWFLSA-N -2 0 376.409 2.621 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)n(-c2ccc(F)cc2)n1 ZINC000738463678 600054241 /nfs/dbraw/zinc/05/42/41/600054241.db2.gz PJLWCTAKMPQZMO-UHFFFAOYSA-N -2 0 381.410 2.880 20 0 GFADRL COc1cc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])c(OC)cc1Cl ZINC000737900069 600092950 /nfs/dbraw/zinc/09/29/50/600092950.db2.gz TXHLGHZEBLNZAH-UHFFFAOYSA-N -2 0 389.788 2.995 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2nc3nc(C)cc(C(=O)[O-])c3s2)c(F)c1 ZINC000738660645 600102376 /nfs/dbraw/zinc/10/23/76/600102376.db2.gz SFEDYXAWJKRKDE-UHFFFAOYSA-N -2 0 381.410 2.946 20 0 GFADRL COc1cc(/C=C\C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(Cl)nc2)c1OC ZINC000737869757 600169214 /nfs/dbraw/zinc/16/92/14/600169214.db2.gz AEPXYYWZJPLHLK-UTCJRWHESA-N -2 0 398.824 2.651 20 0 GFADRL Cc1[nH]nc(S(=O)(=O)[N-]c2nc3c(ccc4ccccc34)s2)c1C(=O)[O-] ZINC000738827753 600229278 /nfs/dbraw/zinc/22/92/78/600229278.db2.gz PEASDGDMHIYDJZ-UHFFFAOYSA-N -2 0 388.430 2.980 20 0 GFADRL Cc1cn(-c2ccccc2)nc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000738798900 600236463 /nfs/dbraw/zinc/23/64/63/600236463.db2.gz SOPCBYGTWYEOHY-UHFFFAOYSA-N -2 0 393.371 2.958 20 0 GFADRL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccc(N2CCCCC2)cn1 ZINC000740144375 600247254 /nfs/dbraw/zinc/24/72/54/600247254.db2.gz NBPHGMRYMACRRX-UHFFFAOYSA-N -2 0 379.413 2.710 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OCC3CCOCC3)cc2)o1 ZINC000740187831 600256883 /nfs/dbraw/zinc/25/68/83/600256883.db2.gz XOMNGLDDPKWGTP-UHFFFAOYSA-N -2 0 381.406 2.584 20 0 GFADRL Cc1ccc(S(=O)(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)cc1C(=O)[O-] ZINC000738654791 600301557 /nfs/dbraw/zinc/30/15/57/600301557.db2.gz HMSZUMNLWCJERX-UHFFFAOYSA-N -2 0 378.406 2.604 20 0 GFADRL COC(=O)NCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000735268992 600302044 /nfs/dbraw/zinc/30/20/44/600302044.db2.gz ALAPGDYKYUVVSW-UHFFFAOYSA-N -2 0 398.824 2.695 20 0 GFADRL Cc1nc([N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@H](C)C3)sc1C(=O)[O-] ZINC000738865592 600360990 /nfs/dbraw/zinc/36/09/90/600360990.db2.gz YBNYWEYSHYGEHL-ZCFIWIBFSA-N -2 0 388.854 2.927 20 0 GFADRL Cc1[nH]nc(S(=O)(=O)[N-]c2nc3ccccc3n2-c2ccccc2)c1C(=O)[O-] ZINC000738335445 600423792 /nfs/dbraw/zinc/42/37/92/600423792.db2.gz QOLOYIOHFRXMGJ-UHFFFAOYSA-N -2 0 397.416 2.556 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(F)c2)c(F)cc1F ZINC000740090081 600473332 /nfs/dbraw/zinc/47/33/32/600473332.db2.gz RILAOVXBWYLGAW-UHFFFAOYSA-N -2 0 397.334 2.789 20 0 GFADRL COC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000115876968 600482685 /nfs/dbraw/zinc/48/26/85/600482685.db2.gz RZFVRBYGXQFAJI-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL COc1ccccc1CC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000738123305 600549708 /nfs/dbraw/zinc/54/97/08/600549708.db2.gz DHGQPVGYAZAQJX-UHFFFAOYSA-N -2 0 397.474 2.529 20 0 GFADRL CC(C)CNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000267134672 600625621 /nfs/dbraw/zinc/62/56/21/600625621.db2.gz DGJQFGZHHXGZQO-UHFFFAOYSA-N -2 0 390.461 2.500 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)n(-c2ccccc2F)n1 ZINC000738463229 600629635 /nfs/dbraw/zinc/62/96/35/600629635.db2.gz FMPGLVRPEUDKMY-UHFFFAOYSA-N -2 0 389.408 2.748 20 0 GFADRL CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(C(=O)[O-])c2)c(F)c1 ZINC000327341815 600636176 /nfs/dbraw/zinc/63/61/76/600636176.db2.gz BTXUNJSYSCVMJB-UHFFFAOYSA-N -2 0 386.788 2.937 20 0 GFADRL CN(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)cc1 ZINC000830519016 600678568 /nfs/dbraw/zinc/67/85/68/600678568.db2.gz KUUUOISWWFXQHF-UHFFFAOYSA-N -2 0 397.796 2.690 20 0 GFADRL COC(=O)C(C)(C)c1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1 ZINC000266087626 600685111 /nfs/dbraw/zinc/68/51/11/600685111.db2.gz PKFJIDIQUGFFGR-UHFFFAOYSA-N -2 0 383.447 2.698 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)ccc1C(=O)N(C)C ZINC000738461517 600694699 /nfs/dbraw/zinc/69/46/99/600694699.db2.gz GHTNTLVODNBPFP-UHFFFAOYSA-N -2 0 396.852 2.849 20 0 GFADRL C[C@H](CN(Cc1ccccc1)C(=O)c1nn(-c2ccccc2)cc1[O-])C(=O)[O-] ZINC000827455926 600724209 /nfs/dbraw/zinc/72/42/09/600724209.db2.gz PKKQOVYGYBYMRD-OAHLLOKOSA-N -2 0 379.416 2.941 20 0 GFADRL Cn1cc(S(=O)(=O)[N-]c2ccccc2NC(=O)c2ccccc2)cc1C(=O)[O-] ZINC000482085778 600810698 /nfs/dbraw/zinc/81/06/98/600810698.db2.gz VGKRVDIXLMZACS-UHFFFAOYSA-N -2 0 399.428 2.776 20 0 GFADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccc(Br)c(C)n2)c1C(=O)[O-] ZINC000316753600 600829070 /nfs/dbraw/zinc/82/90/70/600829070.db2.gz RBVDIKFJVXMMTE-UHFFFAOYSA-N -2 0 389.227 2.861 20 0 GFADRL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2ccccc2N2CCCC2=O)c1 ZINC000740075751 600888894 /nfs/dbraw/zinc/88/88/94/600888894.db2.gz OCCQGHDRTFWVLZ-UHFFFAOYSA-N -2 0 394.836 2.966 20 0 GFADRL Cc1cc(C)c(S(=O)(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)cc1C(=O)[O-] ZINC000736423479 600895789 /nfs/dbraw/zinc/89/57/89/600895789.db2.gz NUCROKQICJUCER-ZDUSSCGKSA-N -2 0 389.429 2.769 20 0 GFADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)cc2)c1 ZINC000740272522 600896916 /nfs/dbraw/zinc/89/69/16/600896916.db2.gz WSWVLPOPXAZSEY-UHFFFAOYSA-N -2 0 384.504 2.800 20 0 GFADRL COC(=O)C(C)(C)c1ccc([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])cc1 ZINC000737561188 600899443 /nfs/dbraw/zinc/89/94/43/600899443.db2.gz DBEFAGSSBAOIPJ-UHFFFAOYSA-N -2 0 395.433 2.846 20 0 GFADRL CC(C)(C(=O)[O-])c1ccc(NC(=O)c2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000486354514 600933837 /nfs/dbraw/zinc/93/38/37/600933837.db2.gz FMFLYGVSRQTEBA-UHFFFAOYSA-N -2 0 376.434 2.673 20 0 GFADRL CC(C)c1ccc(Cn2nccc2[N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1 ZINC000827123775 600975872 /nfs/dbraw/zinc/97/58/72/600975872.db2.gz CPJTZGCXHCKKGO-UHFFFAOYSA-N -2 0 388.449 2.882 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccn2)c(Cl)c1Cl ZINC000832468425 600983011 /nfs/dbraw/zinc/98/30/11/600983011.db2.gz BSUUKDPXIDWOBS-UHFFFAOYSA-N -2 0 377.205 2.896 20 0 GFADRL COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(C)c(O)c2)c1OC ZINC000737871316 601117531 /nfs/dbraw/zinc/11/75/31/601117531.db2.gz JXQYKEKTYNJBNG-FNORWQNLSA-N -2 0 393.417 2.616 20 0 GFADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1cc(Cl)ccc1OC1CCCC1 ZINC000833228116 601143441 /nfs/dbraw/zinc/14/34/41/601143441.db2.gz GRPDLOORNZMJNJ-UHFFFAOYSA-N -2 0 389.857 2.586 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cccc(Cl)c1N(C)C ZINC000831946330 601200998 /nfs/dbraw/zinc/20/09/98/601200998.db2.gz UQZDXUPOVSYHER-UHFFFAOYSA-N -2 0 390.870 2.975 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cc(Cl)cc(C)c1O ZINC000831945549 601204535 /nfs/dbraw/zinc/20/45/35/601204535.db2.gz KDJUBYBHMPUFPW-UHFFFAOYSA-N -2 0 377.827 2.923 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)c1F ZINC000749146143 601224437 /nfs/dbraw/zinc/22/44/37/601224437.db2.gz RNWRLLCAJRSKOQ-UHFFFAOYSA-N -3 0 395.408 2.995 20 0 GFADRL O=C([O-])c1cc(C(F)(F)F)cc(S(=O)(=O)[N-]C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)c1 ZINC000833298156 601239000 /nfs/dbraw/zinc/23/90/00/601239000.db2.gz PIUMBUZDQHQZBS-ITGUQSILSA-N -2 0 391.367 2.645 20 0 GFADRL CNC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000831011021 601326338 /nfs/dbraw/zinc/32/63/38/601326338.db2.gz IAGBXXRYSATQGU-WTKPLQERSA-N -2 0 394.836 2.598 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)c(OC)c1OC ZINC000832419255 601330484 /nfs/dbraw/zinc/33/04/84/601330484.db2.gz FEJJUHSAKVKFKL-WDZFZDKYSA-N -2 0 393.417 2.611 20 0 GFADRL O=C([O-])c1c[nH]c2cc(NS(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)ccc12 ZINC000732047463 601331236 /nfs/dbraw/zinc/33/12/36/601331236.db2.gz OLCTZBQATHJYII-UHFFFAOYSA-N -2 0 378.337 2.504 20 0 GFADRL COC(=O)c1cc(Cl)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)c1 ZINC000736064051 601332665 /nfs/dbraw/zinc/33/26/65/601332665.db2.gz DPNVYJFBPFTIAP-UHFFFAOYSA-N -2 0 399.808 2.634 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(CC(C)(C)C)nn1C ZINC000832204282 601360316 /nfs/dbraw/zinc/36/03/16/601360316.db2.gz ZBQBPSIQZKPCLX-UHFFFAOYSA-N -2 0 381.454 2.516 20 0 GFADRL CC[C@@H](NC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1)C(=O)[O-] ZINC000577575178 601749648 /nfs/dbraw/zinc/74/96/48/601749648.db2.gz SNALDTGRNSNULJ-CQSZACIVSA-N -2 0 396.852 2.734 20 0 GFADRL CCc1ccccc1-n1cc([O-])c(C(=O)N(C)c2nc(CC(=O)[O-])cs2)n1 ZINC000830270639 601757263 /nfs/dbraw/zinc/75/72/63/601757263.db2.gz WKDMWBDTGOCLCP-UHFFFAOYSA-N -2 0 386.433 2.501 20 0 GFADRL Cn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)cc1C(=O)[O-] ZINC000833050581 601783859 /nfs/dbraw/zinc/78/38/59/601783859.db2.gz HVATXWYHSHGNFC-UHFFFAOYSA-N -3 0 393.204 2.529 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2N2CCOC2=O)ccc1Cl ZINC000726519603 601828260 /nfs/dbraw/zinc/82/82/60/601828260.db2.gz VPFCTAYEWITHKR-UHFFFAOYSA-N -2 0 396.808 2.796 20 0 GFADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ccccc1OCc1cscn1 ZINC000833346195 601840509 /nfs/dbraw/zinc/84/05/09/601840509.db2.gz LJNWSBNNHLEQHP-UHFFFAOYSA-N -2 0 397.459 2.678 20 0 GFADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccccc1O[C@@H]1CCOC1 ZINC000268669455 601853926 /nfs/dbraw/zinc/85/39/26/601853926.db2.gz ZNLQIISRWREEOP-CYBMUJFWSA-N -2 0 377.418 2.662 20 0 GFADRL Cc1cccc(S(=O)(=O)[N-]c2ccccc2O[C@@H]2CCOC2)c1C(=O)[O-] ZINC000832972851 601854439 /nfs/dbraw/zinc/85/44/39/601854439.db2.gz OCZAELRUALYXHF-CYBMUJFWSA-N -2 0 377.418 2.662 20 0 GFADRL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccn(Cc2ccccc2)n1 ZINC000833293774 601860389 /nfs/dbraw/zinc/86/03/89/601860389.db2.gz HVUSCKOOPUNTBZ-UHFFFAOYSA-N -2 0 375.381 2.570 20 0 GFADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000466256440 601862333 /nfs/dbraw/zinc/86/23/33/601862333.db2.gz OBUAVGYHRCYOHN-UHFFFAOYSA-N -2 0 377.418 2.856 20 0 GFADRL Cc1ccc(Cc2nnc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)s2)cc1 ZINC000832933892 602105015 /nfs/dbraw/zinc/10/50/15/602105015.db2.gz IJTASRRFOXYGHI-UHFFFAOYSA-N -2 0 379.419 2.529 20 0 GFADRL O=C([O-])CCCc1nnc([N-]S(=O)(=O)c2cc(F)ccc2Cl)s1 ZINC000833232473 602105787 /nfs/dbraw/zinc/10/57/87/602105787.db2.gz VJDMVLCDJJNWKZ-UHFFFAOYSA-N -2 0 379.822 2.539 20 0 GFADRL COc1cc(F)c(S(=O)(=O)[N-]c2ccc3c(c2)CCN3C(=O)[O-])cc1OC ZINC000739867266 602245641 /nfs/dbraw/zinc/24/56/41/602245641.db2.gz QMIAWYKBZALSHV-UHFFFAOYSA-N -2 0 396.396 2.684 20 0 GFADRL COc1cc(F)c(S(=O)(=O)[N-]c2ccc3c(c2)CCN3C(=O)[O-])c(F)c1 ZINC000739865879 602289880 /nfs/dbraw/zinc/28/98/80/602289880.db2.gz CZXRRKNLFPTTMG-UHFFFAOYSA-N -2 0 384.360 2.815 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]C(=O)CC[C@H](NC(=O)[O-])c2ccccc2)c(C)c1 ZINC000740145963 602670228 /nfs/dbraw/zinc/67/02/28/602670228.db2.gz FGAYBTHLASRBAH-INIZCTEOSA-N -2 0 390.461 2.897 20 0 GFADRL O=C([O-])N1CCCc2cc(NC(=O)CSc3n[n-]c(=S)s3)ccc21 ZINC000831551927 603488440 /nfs/dbraw/zinc/48/84/40/603488440.db2.gz BAMWROGNKVOPPO-UHFFFAOYSA-N -2 0 382.492 2.988 20 0 GFADRL O=C([O-])NCc1nnc(-c2ccc(NC(=O)c3ccc([O-])c(Cl)c3)cc2)[nH]1 ZINC000832730217 603913203 /nfs/dbraw/zinc/91/32/03/603913203.db2.gz OFBWXMRZVZHCSG-UHFFFAOYSA-N -2 0 387.783 2.851 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)[C@@H](NC(=O)[O-])c2ccccc2)s1 ZINC000830415415 604211008 /nfs/dbraw/zinc/21/10/08/604211008.db2.gz RDXGIRKEDFUSFU-SMDDNHRTSA-N -2 0 382.463 2.506 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)[C@H](NC(=O)[O-])c2ccccc2)s1 ZINC000830415411 604211106 /nfs/dbraw/zinc/21/11/06/604211106.db2.gz RDXGIRKEDFUSFU-FZMZJTMJSA-N -2 0 382.463 2.506 20 0 GFADRL C[C@H](C(=O)[N-]S(=O)(=O)CC1CCCCC1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823701301 604244616 /nfs/dbraw/zinc/24/46/16/604244616.db2.gz CFHMSZLDBNSWAS-XJKSGUPXSA-N -2 0 382.482 2.658 20 0 GFADRL Cc1cc(F)c(S(=O)(=O)[N-]c2cc3c(cc2NC(=O)[O-])OCO3)cc1F ZINC000830054440 604262448 /nfs/dbraw/zinc/26/24/48/604262448.db2.gz AYTKIEBKZCJMNG-UHFFFAOYSA-N -2 0 386.332 2.893 20 0 GFADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000829855391 604314571 /nfs/dbraw/zinc/31/45/71/604314571.db2.gz UITNRQZLJFACID-LLVKDONJSA-N -2 0 378.406 2.823 20 0 GFADRL CCc1nc(-c2ccccc2[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)n[nH]1 ZINC000755415853 604537535 /nfs/dbraw/zinc/53/75/35/604537535.db2.gz IZFBDJCCAZKJNX-UHFFFAOYSA-N -2 0 390.396 2.672 20 0 GFADRL CC(C)(C)[S@](=O)Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)c1 ZINC000833446813 604688940 /nfs/dbraw/zinc/68/89/40/604688940.db2.gz KGZKDOWQXKZZIF-RUZDIDTESA-N -2 0 396.490 2.628 20 0 GFADRL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccc(SC(F)F)nc2)cc1 ZINC000833259191 604801367 /nfs/dbraw/zinc/80/13/67/604801367.db2.gz MAOWWRSKUPROSF-UHFFFAOYSA-N -2 0 390.389 2.661 20 0 GFADRL CN(C(=O)c1cc(Cl)cc(Br)c1[O-])[C@H]1CCN(C(=O)[O-])C1 ZINC000827926786 604923491 /nfs/dbraw/zinc/92/34/91/604923491.db2.gz IJHCNKGJRWAISP-QMMMGPOBSA-N -2 0 377.622 2.632 20 0 GFADRL Cc1ccc(F)c(NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)c1C(=O)[O-] ZINC000833749709 604943898 /nfs/dbraw/zinc/94/38/98/604943898.db2.gz SMGUBQNEQXCDJJ-UHFFFAOYSA-N -2 0 387.772 2.985 20 0 GFADRL Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)cc1C(=O)[O-] ZINC000753775420 605166934 /nfs/dbraw/zinc/16/69/34/605166934.db2.gz VFKFGNMYTUKOCY-UHFFFAOYSA-N -3 0 387.772 2.985 20 0 GFADRL CC(C)COC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)c1 ZINC000833490445 605185270 /nfs/dbraw/zinc/18/52/70/605185270.db2.gz UPLJJWQDJPKBDH-UHFFFAOYSA-N -2 0 382.394 2.983 20 0 GFADRL O=C([O-])Nc1ccc(C(=O)[N-]S(=O)(=O)CCCC(F)(F)F)c(Cl)c1 ZINC000834256045 605363495 /nfs/dbraw/zinc/36/34/95/605363495.db2.gz NMCQEDJLVJEETG-UHFFFAOYSA-N -2 0 388.751 2.832 20 0 GFADRL O=C([O-])N[C@H](CCC(=O)N[C@@]1(C(=O)[O-])CCc2ccccc21)c1ccccc1 ZINC000834137732 606051804 /nfs/dbraw/zinc/05/18/04/606051804.db2.gz OKMUONALOLVBCO-UTKZUKDTSA-N -2 0 382.416 2.818 20 0 GFADRL O=C([O-])N[C@@H]1CC[C@H](C(=O)NC[C@@H](Cc2cccc3ccccc32)C(=O)[O-])C1 ZINC000834170790 606062479 /nfs/dbraw/zinc/06/24/79/606062479.db2.gz QOVXFHNHRUDCCW-GVDBMIGSSA-N -2 0 384.432 2.636 20 0 GFADRL Cn1cc(-c2nn[nH]n2)cc1C(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000822645948 606294596 /nfs/dbraw/zinc/29/45/96/606294596.db2.gz XZUFKWRTGWAOCT-UHFFFAOYSA-N -2 0 397.620 2.579 20 0 GFADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2cnc(Cl)c(Br)c2)c1 ZINC000821116629 660316332 /nfs/dbraw/zinc/31/63/32/660316332.db2.gz RPXLLPMEACJTOM-UHFFFAOYSA-N -2 0 391.630 2.997 20 0 GFADRL CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2c[nH]nc2C(F)(F)F)cc1 ZINC000821177576 660317972 /nfs/dbraw/zinc/31/79/72/660317972.db2.gz GOVOJKPYXGIFCJ-UHFFFAOYSA-N -2 0 377.344 2.592 20 0 GFADRL O=C([O-])Nc1cccc(C(=O)[N-]S(=O)(=O)CCSc2ccccc2)c1 ZINC000833291739 660806758 /nfs/dbraw/zinc/80/67/58/660806758.db2.gz QSAGAVZAWPNPHL-UHFFFAOYSA-N -2 0 380.447 2.628 20 0 GFADRL Cc1nc(C)c([N-]S(=O)(=O)c2ccc(OCCCC(=O)[O-])c(F)c2)s1 ZINC000267552255 654934753 /nfs/dbraw/zinc/93/47/53/654934753.db2.gz SAIBBLVELFFTDW-UHFFFAOYSA-N -2 0 388.442 2.943 20 0 GFADRL Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(Br)c(C(=O)[O-])c1 ZINC000132378490 654936051 /nfs/dbraw/zinc/93/60/51/654936051.db2.gz HWDRGUPSBMMVRH-UHFFFAOYSA-N -2 0 375.200 2.553 20 0 GFADRL COc1cc(OC)c(OC)cc1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000268772809 654986367 /nfs/dbraw/zinc/98/63/67/654986367.db2.gz AECWPHSMZCDICT-UHFFFAOYSA-N -2 0 387.435 2.581 20 0 GFADRL Cc1nc(Br)ccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000318515979 655381126 /nfs/dbraw/zinc/38/11/26/655381126.db2.gz QKUWMNFQVLZAFO-UHFFFAOYSA-N -2 0 385.239 2.960 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2ccc(-c3nnc(C)o3)cc2)sc1C(=O)[O-] ZINC000740700748 655698214 /nfs/dbraw/zinc/69/82/14/655698214.db2.gz FQTQYRFHIBHQFE-UHFFFAOYSA-N -2 0 379.419 2.914 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(NC(N)=O)cc2)c1Cl ZINC000753771039 655858197 /nfs/dbraw/zinc/85/81/97/655858197.db2.gz LRNPOAQRACDRDJ-UHFFFAOYSA-N -2 0 383.813 2.638 20 0 GFADRL C[S@](=O)Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000762454777 656042751 /nfs/dbraw/zinc/04/27/51/656042751.db2.gz RTWYFDNOBWCING-QHCPKHFHSA-N -2 0 387.866 2.718 20 0 GFADRL CC(C)(C)C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000776587537 656763483 /nfs/dbraw/zinc/76/34/83/656763483.db2.gz JXHHONDENGZOIK-LURJTMIESA-N -2 0 389.342 2.940 20 0 GFADRL C[C@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000776638641 656773502 /nfs/dbraw/zinc/77/35/02/656773502.db2.gz PLMDJPAPYDCWDH-MDAAJZPYSA-N -2 0 387.326 2.694 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2c(O)cccc2F)c(F)c(Cl)c1F ZINC000779836869 656948134 /nfs/dbraw/zinc/94/81/34/656948134.db2.gz IWUBRPMWPMXSIY-UHFFFAOYSA-N -2 0 381.715 2.962 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cnn(C)c2C(F)(F)F)c1Cl ZINC000780424230 657005409 /nfs/dbraw/zinc/00/54/09/657005409.db2.gz CVHCZAJHJQWHCX-UHFFFAOYSA-N -2 0 397.762 2.900 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]CC(F)(F)c2ccccc2)c(F)cc1F ZINC000788737999 657780766 /nfs/dbraw/zinc/78/07/66/657780766.db2.gz SRWWRNKARZNCSG-UHFFFAOYSA-N -2 0 377.315 2.733 20 0 GFADRL O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1c(F)cccc1Cl ZINC000852736337 661873226 /nfs/dbraw/zinc/87/32/26/661873226.db2.gz LUOROPRBDXLPAB-RYUDHWBXSA-N -2 0 382.741 2.575 20 0 GFADRL Cc1c(C(F)(F)F)cccc1S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)(C)C ZINC000863956114 662351024 /nfs/dbraw/zinc/35/10/24/662351024.db2.gz JAWPFWSYBCRYEB-NSHDSACASA-N -2 0 381.372 2.566 20 0 GFADRL C[C@H](c1ccc(Cl)cc1Cl)S(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CC=CC1 ZINC000863956715 662351059 /nfs/dbraw/zinc/35/10/59/662351059.db2.gz FSDBUUQEOREOBK-SECBINFHSA-N -2 0 392.260 2.921 20 0 GFADRL C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)N=c2nc(-c3ccccc3Cl)[n-]s2)C1 ZINC000422534204 563342139 /nfs/dbraw/zinc/34/21/39/563342139.db2.gz AHSBPVFXBQAZNU-ZJUUUORDSA-N -2 0 380.857 2.855 20 0 GFADRL Cc1c(Br)cccc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1O ZINC000436994386 563687615 /nfs/dbraw/zinc/68/76/15/563687615.db2.gz MKFDGMVVVROLMI-UHFFFAOYSA-N -2 0 386.223 2.962 20 0 GFADRL COC(=O)c1scc(C)c1S(=O)(=O)[N-]c1cc(C)cc(C)c1C(=O)[O-] ZINC000442815032 563780564 /nfs/dbraw/zinc/78/05/64/563780564.db2.gz IWSSQWPVKSIMDH-UHFFFAOYSA-N -2 0 383.447 2.959 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC(F)(F)F)cn1 ZINC000507897085 564247055 /nfs/dbraw/zinc/24/70/55/564247055.db2.gz ZGLOBAKEJVAZAZ-UHFFFAOYSA-N -2 0 376.312 2.788 20 0 GFADRL Cc1ncc(S(=O)(=O)[N-]c2ccc(Cc3nc(C(=O)[O-])cs3)cc2)s1 ZINC000541307552 564274187 /nfs/dbraw/zinc/27/41/87/564274187.db2.gz NCRMMEUBZLCCKI-UHFFFAOYSA-N -2 0 395.487 2.998 20 0 GFADRL CC(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)s1 ZINC000547870949 564513984 /nfs/dbraw/zinc/51/39/84/564513984.db2.gz QABABHONFDLLNQ-UHFFFAOYSA-N -2 0 388.854 2.537 20 0 GFADRL O=C([O-])[C@@H](Cc1ccco1)NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000547890930 564516898 /nfs/dbraw/zinc/51/68/98/564516898.db2.gz SIRGTMKJELKCNN-LLVKDONJSA-N -2 0 397.758 2.926 20 0 GFADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)c(Cl)c1 ZINC000484515909 564589670 /nfs/dbraw/zinc/58/96/70/564589670.db2.gz BZEDNHZFQRJYMF-UHFFFAOYSA-N -2 0 383.809 2.555 20 0 GFADRL CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000572456546 564595405 /nfs/dbraw/zinc/59/54/05/564595405.db2.gz DNRWUJQRDTWIMJ-JTQLQIEISA-N -2 0 386.214 2.505 20 0 GFADRL CCOC[C@H](C)CS(=O)(=O)[N-][C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000572998762 564618628 /nfs/dbraw/zinc/61/86/28/564618628.db2.gz QABMGIYDCFICGF-GWCFXTLKSA-N -2 0 383.388 2.580 20 0 GFADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C(=O)[O-])c(Cl)c1 ZINC000522651186 564653486 /nfs/dbraw/zinc/65/34/86/564653486.db2.gz BMYGUDWGAFXGCE-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)sc1Cl)C(F)(F)F ZINC000551995476 564671433 /nfs/dbraw/zinc/67/14/33/564671433.db2.gz KBFCBOCBAZSHGK-BYPYZUCNSA-N -2 0 386.200 2.986 20 0 GFADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)c(F)c1 ZINC000526004703 564715179 /nfs/dbraw/zinc/71/51/79/564715179.db2.gz LRIMUPSQHQTOLA-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL COc1cc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)c(OC)cc1Cl ZINC000558586466 564907896 /nfs/dbraw/zinc/90/78/96/564907896.db2.gz KVLAJDGJLJGXJU-UHFFFAOYSA-N -2 0 385.825 2.785 20 0 GFADRL Cc1ccc(N(C)S(=O)(=O)c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1Cl ZINC000499303996 564923683 /nfs/dbraw/zinc/92/36/83/564923683.db2.gz QCORINYLTMBUIA-UHFFFAOYSA-N -2 0 383.809 2.870 20 0 GFADRL CCc1ncc(S(=O)(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)s1 ZINC000560078369 564948803 /nfs/dbraw/zinc/94/88/03/564948803.db2.gz NQZUPHPAFVAYSV-INIZCTEOSA-N -2 0 376.459 2.963 20 0 GFADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)c1OC ZINC000533691123 564970011 /nfs/dbraw/zinc/97/00/11/564970011.db2.gz PVBRPOIBUXFRDF-UHFFFAOYSA-N -2 0 389.788 2.995 20 0 GFADRL COC(=O)c1csc(S(=O)(=O)[N-]c2c(C)c(Cl)ccc2C(=O)[O-])c1 ZINC000614326052 565108498 /nfs/dbraw/zinc/10/84/98/565108498.db2.gz QVQYJVIVFGLEEB-UHFFFAOYSA-N -2 0 389.838 2.996 20 0 GFADRL COc1cc(OC)c([N-]S(=O)(=O)c2ccc(F)cc2Cl)c(C(=O)[O-])c1 ZINC000587994683 565122774 /nfs/dbraw/zinc/12/27/74/565122774.db2.gz SBHFGDICKBVEGB-UHFFFAOYSA-N -2 0 389.788 2.995 20 0 GFADRL CC(C)NC(=O)Nc1ccccc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000614819336 565134478 /nfs/dbraw/zinc/13/44/78/565134478.db2.gz NMEJGKWEGQELJN-UHFFFAOYSA-N -2 0 383.451 2.777 20 0 GFADRL COC(=O)c1c(C)c([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)ccc1F ZINC000589555966 565167069 /nfs/dbraw/zinc/16/70/69/565167069.db2.gz BJDKWBIOQSTPPO-UHFFFAOYSA-N -2 0 387.410 2.790 20 0 GFADRL COc1ncc(S(=O)(=O)[N-]c2ccc(CCCC(=O)[O-])cc2)cc1Cl ZINC000647129407 565639159 /nfs/dbraw/zinc/63/91/59/565639159.db2.gz XIALYUQVASITLU-UHFFFAOYSA-N -2 0 384.841 2.952 20 0 GFADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2SC)s1 ZINC000603974263 565921195 /nfs/dbraw/zinc/92/11/95/565921195.db2.gz JRYZCSQPJZDKOC-UHFFFAOYSA-N -2 0 387.460 2.756 20 0 GFADRL CCOC(=O)c1c(F)cccc1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000611444540 566129769 /nfs/dbraw/zinc/12/97/69/566129769.db2.gz YMVJLPQMGYFWTN-UHFFFAOYSA-N -2 0 387.410 2.871 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2OC(F)F)o1 ZINC000740177142 599737829 /nfs/dbraw/zinc/73/78/29/599737829.db2.gz GPVZDVLHYSGGRP-UHFFFAOYSA-N -2 0 399.274 2.981 20 0 GFADRL CCOc1ccc(S(=O)(=O)Nc2cccc(NC(=O)[O-])c2)cc1C(=O)[O-] ZINC000737210576 599747414 /nfs/dbraw/zinc/74/74/14/599747414.db2.gz MSGCWVVCUKEFIZ-UHFFFAOYSA-N -2 0 380.378 2.674 20 0 GFADRL O=C([O-])CSCCC(=O)[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000739849477 599798330 /nfs/dbraw/zinc/79/83/30/599798330.db2.gz LJTFKHVFMFWFJA-UHFFFAOYSA-N -2 0 385.507 2.747 20 0 GFADRL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1OC(C)C ZINC000737717314 599814469 /nfs/dbraw/zinc/81/44/69/599814469.db2.gz KYRCXYFSRBREJN-UHFFFAOYSA-N -2 0 399.446 2.821 20 0 GFADRL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(Cl)c1C ZINC000737717047 599814507 /nfs/dbraw/zinc/81/45/07/599814507.db2.gz GSRMYGVVSSQHFV-UHFFFAOYSA-N -2 0 389.838 2.996 20 0 GFADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2cccnc21 ZINC000737687685 599874424 /nfs/dbraw/zinc/87/44/24/599874424.db2.gz HGQDSVBZUNDJDF-UHFFFAOYSA-N -2 0 386.385 2.520 20 0 GFADRL COCCOc1ccc(F)cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000477422744 599907325 /nfs/dbraw/zinc/90/73/25/599907325.db2.gz VHQYIIIWOYTRTA-UHFFFAOYSA-N -2 0 383.397 2.658 20 0 GFADRL COc1ccc2nc([N-]S(=O)(=O)c3cc(F)ccc3C(=O)[O-])sc2c1 ZINC000738078666 600049736 /nfs/dbraw/zinc/04/97/36/600049736.db2.gz ICKDXMXLZVNODI-UHFFFAOYSA-N -2 0 382.394 2.943 20 0 GFADRL CC1(C)Cc2nc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3F)sc2C(=O)C1 ZINC000736727507 600051949 /nfs/dbraw/zinc/05/19/49/600051949.db2.gz XMQWAGOSMMISQQ-UHFFFAOYSA-N -2 0 398.437 2.936 20 0 GFADRL Cc1ccsc1Cn1nccc1[N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000738799376 600054718 /nfs/dbraw/zinc/05/47/18/600054718.db2.gz VCVOYGMLMSZNPJ-UHFFFAOYSA-N -2 0 395.437 2.939 20 0 GFADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccnn2Cc2ccc(C)cc2)c1C(=O)[O-] ZINC000738604454 600055282 /nfs/dbraw/zinc/05/52/82/600055282.db2.gz HWALKIXFUKSYKQ-UHFFFAOYSA-N -2 0 389.433 2.949 20 0 GFADRL CC(C)(C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000736263250 600096833 /nfs/dbraw/zinc/09/68/33/600096833.db2.gz SHTSJGKNKDBXDJ-UHFFFAOYSA-N -2 0 394.424 2.853 20 0 GFADRL COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(Cl)nc2)c1OC ZINC000737869760 600169207 /nfs/dbraw/zinc/16/92/07/600169207.db2.gz AEPXYYWZJPLHLK-ZZXKWVIFSA-N -2 0 398.824 2.651 20 0 GFADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1c(C(=O)[O-])ccc2cccnc21 ZINC000738546363 600170054 /nfs/dbraw/zinc/17/00/54/600170054.db2.gz VXKNUHRQJQEFGM-UHFFFAOYSA-N -3 0 386.385 2.740 20 0 GFADRL CCNC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c(C)c1 ZINC000737124093 600233230 /nfs/dbraw/zinc/23/32/30/600233230.db2.gz VUOMYFLOOYOZEY-UHFFFAOYSA-N -2 0 398.387 2.522 20 0 GFADRL C[C@H](CC(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)c1cccc(F)c1 ZINC000736547529 600245507 /nfs/dbraw/zinc/24/55/07/600245507.db2.gz DMJMASCCUJMHBF-GFCCVEGCSA-N -2 0 379.409 2.664 20 0 GFADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCCc2cc(C(=O)[O-])ccc21 ZINC000556351894 600253521 /nfs/dbraw/zinc/25/35/21/600253521.db2.gz VEMIBVNNOPBKHE-UHFFFAOYSA-N -2 0 389.429 2.787 20 0 GFADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000738993024 600299795 /nfs/dbraw/zinc/29/97/95/600299795.db2.gz KKKSNLFGUZKWBT-UHFFFAOYSA-N -2 0 384.435 2.665 20 0 GFADRL C[C@H](CC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000736549711 600463692 /nfs/dbraw/zinc/46/36/92/600463692.db2.gz YBFMKOZFCBZCAG-SNVBAGLBSA-N -2 0 381.372 2.510 20 0 GFADRL O=C([O-])CCCOc1ccc([N-]S(=O)(=O)c2cccc3c2OCCO3)cc1 ZINC000739687001 600489713 /nfs/dbraw/zinc/48/97/13/600489713.db2.gz KQRPHZYVAJEGQK-UHFFFAOYSA-N -2 0 393.417 2.502 20 0 GFADRL COc1ccccc1-n1cc(S(=O)(=O)[N-]c2ccc(C)cc2C(=O)[O-])cn1 ZINC000484507643 600675782 /nfs/dbraw/zinc/67/57/82/600675782.db2.gz ZJELLANANKXVPF-UHFFFAOYSA-N -2 0 387.417 2.688 20 0 GFADRL Cc1cc(C(=O)Nc2cc3ccccc3cc2C(=O)[O-])[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000738335170 600679125 /nfs/dbraw/zinc/67/91/25/600679125.db2.gz CLJMPCHKUFJJCD-UHFFFAOYSA-N -3 0 390.355 2.848 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(OCCc3ccccc3)nc2)c[nH]1 ZINC000605654593 600683352 /nfs/dbraw/zinc/68/33/52/600683352.db2.gz UIPKBMWYDYZING-UHFFFAOYSA-N -2 0 387.417 2.530 20 0 GFADRL COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2OC)cc1C(=O)[O-] ZINC000831435094 600688357 /nfs/dbraw/zinc/68/83/57/600688357.db2.gz NVAAOHTUTBNVBY-UHFFFAOYSA-N -2 0 399.808 2.634 20 0 GFADRL Cc1nc(C2(NS(=O)(=O)c3cc(Cl)cc(C(=O)[O-])c3)CCCCC2)no1 ZINC000577670689 600703702 /nfs/dbraw/zinc/70/37/02/600703702.db2.gz HYSIQFFGCRCKFW-UHFFFAOYSA-N -2 0 399.856 2.868 20 0 GFADRL COCCOc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000506633452 600891536 /nfs/dbraw/zinc/89/15/36/600891536.db2.gz XEMUUKZSCZPCQM-UHFFFAOYSA-N -2 0 383.397 2.658 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2ccnn2CCc2ccccc2)ccc1C(=O)[O-] ZINC000738478614 600891952 /nfs/dbraw/zinc/89/19/52/600891952.db2.gz YLFUHLQHNDMUOY-UHFFFAOYSA-N -2 0 385.445 2.933 20 0 GFADRL Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)cc2)nn1 ZINC000738650460 600898151 /nfs/dbraw/zinc/89/81/51/600898151.db2.gz YAQUXRSXLLZSBE-UHFFFAOYSA-N -2 0 375.362 2.669 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ncc(Cc3ccc(F)c(F)c3)s2)c[nH]1 ZINC000833306227 600977468 /nfs/dbraw/zinc/97/74/68/600977468.db2.gz KXBCXFUBCZIKPE-UHFFFAOYSA-N -2 0 399.400 2.839 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Cl)nc2)c(Br)c1 ZINC000129653179 600978005 /nfs/dbraw/zinc/97/80/05/600978005.db2.gz SBBHROPPYNPZQA-UHFFFAOYSA-N -2 0 391.630 2.997 20 0 GFADRL O=C([O-])c1sccc1S(=O)(=O)[N-]c1ccc(Br)cc1O ZINC000740289297 601116893 /nfs/dbraw/zinc/11/68/93/601116893.db2.gz IKWKLHHMLBJLDS-UHFFFAOYSA-N -2 0 378.225 2.715 20 0 GFADRL C/C(=C/c1ccc(F)cc1)C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000825798776 601141529 /nfs/dbraw/zinc/14/15/29/601141529.db2.gz XUMBUNKRZPUMRK-BENRWUELSA-N -2 0 377.393 2.573 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cc(OC)ccc1Cl ZINC000832362768 601202983 /nfs/dbraw/zinc/20/29/83/601202983.db2.gz RFCJAGQEXRCYQZ-UHFFFAOYSA-N -2 0 377.827 2.918 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)c1F ZINC000749145116 601224006 /nfs/dbraw/zinc/22/40/06/601224006.db2.gz JTQNDFKUAODZOJ-LBPRGKRZSA-N -2 0 393.392 2.600 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cc(C(=O)[O-])c(F)cc2F)c1F ZINC000832868066 601224479 /nfs/dbraw/zinc/22/44/79/601224479.db2.gz AWDJXGQYAXYHDJ-UHFFFAOYSA-N -2 0 389.307 2.610 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2cccc(C(=O)NC(C)(C)C)c2)cc1C(=O)[O-] ZINC000833029100 601231943 /nfs/dbraw/zinc/23/19/43/601231943.db2.gz BGLQXTVYGMYISL-UHFFFAOYSA-N -2 0 380.422 2.615 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCCC[C@H]3O)cc2)cc1C(=O)[O-] ZINC000833029154 601233906 /nfs/dbraw/zinc/23/39/06/601233906.db2.gz DANQNWWHWFYKSP-HZPDHXFCSA-N -2 0 395.433 2.769 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2ccc(O[C@H]3CCCC[C@H]3O)cc2)cc1C(=O)[O-] ZINC000833029152 601234085 /nfs/dbraw/zinc/23/40/85/601234085.db2.gz DANQNWWHWFYKSP-CVEARBPZSA-N -2 0 395.433 2.769 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2cccc(CC(=O)OC(C)(C)C)c2)cc1C(=O)[O-] ZINC000833029318 601234465 /nfs/dbraw/zinc/23/44/65/601234465.db2.gz FHEFUHLAHGOQGU-UHFFFAOYSA-N -2 0 395.433 2.971 20 0 GFADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N(CC(=O)[O-])Cc2ccccc2)n1 ZINC000832890287 601244891 /nfs/dbraw/zinc/24/48/91/601244891.db2.gz UWESKGLIMOLZBJ-UHFFFAOYSA-N -2 0 383.379 2.752 20 0 GFADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)n1 ZINC000832889157 601289022 /nfs/dbraw/zinc/28/90/22/601289022.db2.gz DTZNVEYXMKERJJ-SFHVURJKSA-N -2 0 383.379 2.923 20 0 GFADRL Cn1cc(NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)cc1C(=O)[O-] ZINC000833049690 601315035 /nfs/dbraw/zinc/31/50/35/601315035.db2.gz SKYTVFXZRHWQME-UHFFFAOYSA-N -2 0 390.193 2.580 20 0 GFADRL COc1ccc(OC(F)F)c([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1 ZINC000042793500 601322836 /nfs/dbraw/zinc/32/28/36/601322836.db2.gz BATPWEBRGLGQCQ-UHFFFAOYSA-N -2 0 391.323 2.935 20 0 GFADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000608005226 601333367 /nfs/dbraw/zinc/33/33/67/601333367.db2.gz UQIRZFUXUFRXEY-UHFFFAOYSA-N -3 0 379.390 2.509 20 0 GFADRL O=C([O-])c1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc(Br)cc1 ZINC000833344770 601383540 /nfs/dbraw/zinc/38/35/40/601383540.db2.gz JFVPDQTVKKSFOR-UHFFFAOYSA-N -2 0 391.630 2.997 20 0 GFADRL COc1ccc(-n2cc([O-])c(C(=O)N[C@H](CC(=O)[O-])c3cccs3)n2)cc1 ZINC000832138746 601386917 /nfs/dbraw/zinc/38/69/17/601386917.db2.gz OOSPHWXJJCNGIP-CYBMUJFWSA-N -2 0 387.417 2.594 20 0 GFADRL Cc1ccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1NC(=O)C(C)(C)C ZINC000832950166 601484133 /nfs/dbraw/zinc/48/41/33/601484133.db2.gz DVNVYRQIEPTSLH-UHFFFAOYSA-N -2 0 397.478 2.935 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(Br)ccc2O)ccc1F ZINC000754261606 601574795 /nfs/dbraw/zinc/57/47/95/601574795.db2.gz WJRGMXQCGWKQCB-UHFFFAOYSA-N -2 0 390.186 2.793 20 0 GFADRL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000827049751 601575908 /nfs/dbraw/zinc/57/59/08/601575908.db2.gz YNQQZQYJRFMWQF-UHFFFAOYSA-N -3 0 385.419 2.733 20 0 GFADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)CCCc1cc(Cl)sc1Cl ZINC000833228566 601599599 /nfs/dbraw/zinc/59/95/99/601599599.db2.gz RGLVTWIJTCTKAK-UHFFFAOYSA-N -2 0 388.294 2.688 20 0 GFADRL O=C([O-])C[C@@H](NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-])c1ccc(F)cc1 ZINC000833199667 601757305 /nfs/dbraw/zinc/75/73/05/601757305.db2.gz AVGXTYFRBBEAGI-OAHLLOKOSA-N -2 0 387.342 2.802 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)c(Cl)cc1F ZINC000755950880 601830386 /nfs/dbraw/zinc/83/03/86/601830386.db2.gz XHUACWGOWDXMRY-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)N(CCC(=O)[O-])c1cccc(F)c1 ZINC000832866673 601863095 /nfs/dbraw/zinc/86/30/95/601863095.db2.gz RNNYDVQHYMIHHU-UHFFFAOYSA-N -2 0 381.381 2.502 20 0 GFADRL CCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1cc(C)c(F)c(C(=O)[O-])c1 ZINC000829740094 601985163 /nfs/dbraw/zinc/98/51/63/601985163.db2.gz CZAHUKKPDHKBFR-UHFFFAOYSA-N -2 0 381.381 2.746 20 0 GFADRL O=C([O-])CCCc1nnc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)s1 ZINC000833232410 602107792 /nfs/dbraw/zinc/10/77/92/602107792.db2.gz RJRMPFWOBJVBJR-UHFFFAOYSA-N -2 0 395.384 2.765 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2csnc2C(=O)[O-])sc1Br ZINC000832904425 602155639 /nfs/dbraw/zinc/15/56/39/602155639.db2.gz MUYPGARBNWILCO-UHFFFAOYSA-N -2 0 383.270 2.775 20 0 GFADRL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2cc(-c3cccnc3)[nH]n2)c1 ZINC000833297665 602214536 /nfs/dbraw/zinc/21/45/36/602214536.db2.gz RCCWKQFXAZOBKI-UHFFFAOYSA-N -2 0 378.797 2.624 20 0 GFADRL CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[O-] ZINC000739722187 602367513 /nfs/dbraw/zinc/36/75/13/602367513.db2.gz HEIKUSWDLUWCLO-DRZSPHRISA-N -2 0 390.465 2.666 20 0 GFADRL CCC(=CC(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1)CC ZINC000828550402 602384818 /nfs/dbraw/zinc/38/48/18/602384818.db2.gz VGITWBBMYYEZPC-UHFFFAOYSA-N -2 0 379.356 2.955 20 0 GFADRL C[C@@](CC(=O)N[C@@H](CNC(=O)[O-])C1CCCCC1)(C(=O)[O-])c1ccccc1 ZINC000738895503 602570293 /nfs/dbraw/zinc/57/02/93/602570293.db2.gz NGWXOXGIYRVOEC-JXFKEZNVSA-N -2 0 376.453 2.752 20 0 GFADRL O=C([O-])N1CCCc2cc([N-]S(=O)(=O)c3cccc4c3OCCO4)ccc21 ZINC000740524239 602646924 /nfs/dbraw/zinc/64/69/24/602646924.db2.gz SWXWDPPTIYSJJD-UHFFFAOYSA-N -2 0 390.417 2.689 20 0 GFADRL O=C([O-])Nc1ccccc1[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000740714955 602653329 /nfs/dbraw/zinc/65/33/29/602653329.db2.gz DUQLZZNVMQBESF-UHFFFAOYSA-N -2 0 379.369 2.601 20 0 GFADRL O=C([O-])N[C@H](CCC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000740540277 602669476 /nfs/dbraw/zinc/66/94/76/602669476.db2.gz NORMSKAZNREHMI-OAHLLOKOSA-N -2 0 396.852 2.934 20 0 GFADRL CCC[C@@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000739320587 602686726 /nfs/dbraw/zinc/68/67/26/602686726.db2.gz PUTDOZGAWUGYFN-MRXNPFEDSA-N -2 0 376.434 2.595 20 0 GFADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CCC([C@H](C)NC(=O)[O-])CC2)n1 ZINC000830068978 603537218 /nfs/dbraw/zinc/53/72/18/603537218.db2.gz RNBBNEJWCSSDOX-LBPRGKRZSA-N -2 0 390.415 2.534 20 0 GFADRL COc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2C)ccc1NC(=O)[O-] ZINC000829198036 603835981 /nfs/dbraw/zinc/83/59/81/603835981.db2.gz LZXOXFQWXAKRDJ-UHFFFAOYSA-N -2 0 380.378 2.593 20 0 GFADRL O=C([O-])N1CCc2c1cccc2NC(=O)CC1(C(=O)[O-])Cc2ccccc2C1 ZINC000831292929 603913029 /nfs/dbraw/zinc/91/30/29/603913029.db2.gz SIVXVAPKVMNZKG-UHFFFAOYSA-N -2 0 380.400 2.926 20 0 GFADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc3c2CCN3C(=O)[O-])cc1C ZINC000828789529 604013962 /nfs/dbraw/zinc/01/39/62/604013962.db2.gz YHYRZEKKVPFSHZ-UHFFFAOYSA-N -2 0 390.417 2.623 20 0 GFADRL Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)[C@H]2CCC[C@@H](NC(=O)[O-])C2)c1C ZINC000829986209 604212758 /nfs/dbraw/zinc/21/27/58/604212758.db2.gz LNRQSJASHXUUKS-LSDHHAIUSA-N -2 0 382.482 2.552 20 0 GFADRL C[C@H](CC(=O)[N-]S(=O)(=O)/C=C\c1ccccc1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824679953 604394164 /nfs/dbraw/zinc/39/41/64/604394164.db2.gz POZDKRFDXRIHDD-QXBIUURJSA-N -2 0 380.466 2.520 20 0 GFADRL O=C([O-])Nc1cc(C(=O)[N-]S(=O)(=O)c2ccsc2)cc(C(F)(F)F)c1 ZINC000833284278 604413434 /nfs/dbraw/zinc/41/34/34/604413434.db2.gz SSJGMNOKJAAPEZ-UHFFFAOYSA-N -2 0 394.352 2.976 20 0 GFADRL CCc1nc(-c2ccccc2[N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)n[nH]1 ZINC000570829089 604537358 /nfs/dbraw/zinc/53/73/58/604537358.db2.gz CHQUAPDTUQLJMM-UHFFFAOYSA-N -2 0 386.433 2.842 20 0 GFADRL CC(C)Oc1ccc(S(=O)(=O)[N-]C(=O)CCc2ccc(C(=O)[O-])cc2)cc1 ZINC000833506901 605021902 /nfs/dbraw/zinc/02/19/02/605021902.db2.gz VDAIHHWYBXDFQF-UHFFFAOYSA-N -2 0 391.445 2.610 20 0 GFADRL C[C@H](CCCc1ccccc1)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000833515337 605085231 /nfs/dbraw/zinc/08/52/31/605085231.db2.gz PPIMJMFTNMGQBC-GFCCVEGCSA-N -2 0 381.475 2.910 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Cl)c(C(=O)[O-])c1 ZINC000758163046 605166898 /nfs/dbraw/zinc/16/68/98/605166898.db2.gz KVYDQJUDCRPNDN-UHFFFAOYSA-N -3 0 399.808 2.854 20 0 GFADRL CNC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C)cc1C(=O)[O-] ZINC000833700868 605186456 /nfs/dbraw/zinc/18/64/56/605186456.db2.gz UONUSWAYJVTMPQ-UHFFFAOYSA-N -2 0 382.825 2.507 20 0 GFADRL Cc1cnn(-c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2cccc(F)c2F)c1 ZINC000833754332 605191007 /nfs/dbraw/zinc/19/10/07/605191007.db2.gz MFJNHTBMPASNOI-UHFFFAOYSA-N -2 0 393.371 2.958 20 0 GFADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CC[C@H](NC(=O)[O-])C[C@@H]3C)n2)cc1 ZINC000824464891 605362918 /nfs/dbraw/zinc/36/29/18/605362918.db2.gz WZOTYCFYJQGQNF-ZFWWWQNUSA-N -2 0 386.452 2.962 20 0 GFADRL Cc1cc(C(=O)[N-]S(=O)(=O)Cc2ccccc2Cl)ccc1NC(=O)[O-] ZINC000829961171 605424237 /nfs/dbraw/zinc/42/42/37/605424237.db2.gz ALRYYGOTRYILDU-UHFFFAOYSA-N -2 0 382.825 2.998 20 0 GFADRL CC[C@](C)(NC(=O)c1cc(Br)c([O-])c(Br)c1)C(=O)[O-] ZINC000833638192 605753609 /nfs/dbraw/zinc/75/36/09/605753609.db2.gz PSGSDXHIBYZLKD-LBPRGKRZSA-N -2 0 395.047 2.900 20 0 GFADRL O=C([O-])N[C@@H]1CC[C@H](C(=O)N[C@H](Cc2cc(Cl)cc(Cl)c2)C(=O)[O-])C1 ZINC000834165325 606071849 /nfs/dbraw/zinc/07/18/49/606071849.db2.gz SFXUSUKJUNZXID-ZWKOPEQDSA-N -2 0 389.235 2.542 20 0 GFADRL O=C([O-])N[C@H]1CCc2ncc([N-]S(=O)(=O)c3cc4ccccc4o3)cc2C1 ZINC000834195449 606080247 /nfs/dbraw/zinc/08/02/47/606080247.db2.gz YELYUUUTYBSMIP-ZDUSSCGKSA-N -2 0 387.417 2.754 20 0 GFADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000819089050 660246067 /nfs/dbraw/zinc/24/60/67/660246067.db2.gz JSJVIFMJTPTCTO-YGRLFVJLSA-N -2 0 375.368 2.706 20 0 GFADRL N#Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Br)c1 ZINC000013264985 654503682 /nfs/dbraw/zinc/50/36/82/654503682.db2.gz JONUEJSTMBGRJN-UHFFFAOYSA-N -2 0 381.207 2.820 20 0 GFADRL COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2SC)c1 ZINC000055412618 654774237 /nfs/dbraw/zinc/77/42/37/654774237.db2.gz DRJCFCPPYBGASA-UHFFFAOYSA-N -2 0 381.431 2.694 20 0 GFADRL COc1ccc(Cl)c(NS(=O)(=O)c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC000064374542 654867607 /nfs/dbraw/zinc/86/76/07/654867607.db2.gz VYVFNQIGQHMAJP-UHFFFAOYSA-N -2 0 385.781 2.546 20 0 GFADRL O=C([O-])[C@@]1(CC(=O)N[N-]C(=O)c2sc3ccccc3c2Cl)CCSC1 ZINC000064610681 654872935 /nfs/dbraw/zinc/87/29/35/654872935.db2.gz AHSZIBRZKFPFIQ-MRXNPFEDSA-N -2 0 398.893 2.914 20 0 GFADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(CSC)cc1 ZINC000066588249 654908414 /nfs/dbraw/zinc/90/84/14/654908414.db2.gz MBYATRNLDPXWHC-UHFFFAOYSA-N -2 0 381.475 2.986 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc3n(n2)CCCC3)c(F)c(Cl)c1F ZINC000285009909 655343147 /nfs/dbraw/zinc/34/31/47/655343147.db2.gz HPRXQTNSSAKUGR-UHFFFAOYSA-N -2 0 391.783 2.650 20 0 GFADRL Cc1cc(F)c(Br)cc1S(=O)(=O)[N-]NC(=O)CCC(C)C ZINC000189284574 655385749 /nfs/dbraw/zinc/38/57/49/655385749.db2.gz DYMRUKPPTSLNFR-UHFFFAOYSA-N -2 0 381.267 2.642 20 0 GFADRL O=C([O-])Cc1ccccc1CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000579821695 655504348 /nfs/dbraw/zinc/50/43/48/655504348.db2.gz DCYHVYIYZSZRDJ-UHFFFAOYSA-N -2 0 383.809 2.607 20 0 GFADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cccc1C(=O)[O-] ZINC000728266787 655554099 /nfs/dbraw/zinc/55/40/99/655554099.db2.gz ZMNHUWHCYGEKBH-UHFFFAOYSA-N -3 0 387.772 2.985 20 0 GFADRL CNC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1Cl ZINC000753768554 655858007 /nfs/dbraw/zinc/85/80/07/655858007.db2.gz DAVUDJDBCSTSPR-UHFFFAOYSA-N -2 0 382.825 2.507 20 0 GFADRL COc1cc(C)c([N-]S(=O)(=O)c2cnc(Cl)c(OC)c2)c(C(=O)[O-])c1 ZINC000767474284 656205551 /nfs/dbraw/zinc/20/55/51/656205551.db2.gz XNOHTCKOQYWNOE-UHFFFAOYSA-N -2 0 386.813 2.560 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnc(C3CC3)nc2)c(F)c(Cl)c1F ZINC000779831572 656946837 /nfs/dbraw/zinc/94/68/37/656946837.db2.gz DXWYUNVPCLNJDH-UHFFFAOYSA-N -2 0 389.767 2.785 20 0 GFADRL COC(=O)CCc1cccc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c1 ZINC000786100624 657406976 /nfs/dbraw/zinc/40/69/76/657406976.db2.gz KJXKIICQRRBHFZ-UHFFFAOYSA-N -2 0 383.447 2.661 20 0 GFADRL C[C@H](Sc1ccc([N-]S(=O)(=O)c2cnn(CC3CC3)c2)cc1)C(=O)[O-] ZINC000794767572 658610970 /nfs/dbraw/zinc/61/09/70/658610970.db2.gz OLUWGHYXUYWWCS-NSHDSACASA-N -2 0 381.479 2.659 20 0 GFADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)c1O ZINC000800840003 659336693 /nfs/dbraw/zinc/33/66/93/659336693.db2.gz VBDPZRBCMQHSGR-UHFFFAOYSA-N -2 0 381.793 2.674 20 0 GFADRL CCc1oncc1[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000800844197 659338593 /nfs/dbraw/zinc/33/85/93/659338593.db2.gz MTRVRYANAXEEBV-UHFFFAOYSA-N -2 0 381.229 2.560 20 0 GFADRL COc1cc(F)c(F)cc1[N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000811713174 660014641 /nfs/dbraw/zinc/01/46/41/660014641.db2.gz UHSPEOJOWHKTFT-UHFFFAOYSA-N -2 0 379.287 2.751 20 0 GFADRL COc1cc(F)c(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F ZINC000811712730 660014648 /nfs/dbraw/zinc/01/46/48/660014648.db2.gz FVQVUFGSOLFSAH-UHFFFAOYSA-N -2 0 375.324 2.920 20 0 GFADRL O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1ccc(Cl)c(F)c1 ZINC000852738526 661873092 /nfs/dbraw/zinc/87/30/92/661873092.db2.gz ZWIUCFMFCGYTJV-NWDGAFQWSA-N -2 0 382.741 2.575 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2cc(C)cc(C[N-]C(=O)C(F)(F)F)c2)sn1 ZINC000872373549 662763233 /nfs/dbraw/zinc/76/32/33/662763233.db2.gz JPSABGLTGKJXOU-UHFFFAOYSA-N -2 0 393.412 2.739 20 0 GFADRL C[C@@H](CNC(=O)c1cc(Br)c([O-])c(Br)c1)CC(=O)[O-] ZINC000909484888 664160812 /nfs/dbraw/zinc/16/08/12/664160812.db2.gz HZFIATODEQACDN-ZCFIWIBFSA-N -2 0 395.047 2.758 20 0 GFADRL CCOC(=O)N(C)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC000919959310 664520326 /nfs/dbraw/zinc/52/03/26/664520326.db2.gz HQDJQHAMXKYGOQ-UHFFFAOYSA-N -2 0 384.435 2.840 20 0 GFADRL COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000054795443 551170243 /nfs/dbraw/zinc/17/02/43/551170243.db2.gz LXNGXGOUWOSNLM-UHFFFAOYSA-N -3 0 385.781 2.546 20 0 GFADRL CS(=O)(=O)[N-]c1cc(F)ccc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000179766490 552202518 /nfs/dbraw/zinc/20/25/18/552202518.db2.gz SHIBJEVZQDMGBX-UHFFFAOYSA-N -2 0 384.863 2.713 20 0 GFADRL Cc1ccc(-c2ncccc2[N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)s1 ZINC000189747429 552478977 /nfs/dbraw/zinc/47/89/77/552478977.db2.gz XRKDTAJMCYBOML-UHFFFAOYSA-N -2 0 377.447 2.956 20 0 GFADRL CC(C)N(CC(=O)[O-])C(=O)c1cc(Br)c([O-])c(Br)c1 ZINC000263385078 553186799 /nfs/dbraw/zinc/18/67/99/553186799.db2.gz CNHHVGMHWIZAFE-UHFFFAOYSA-N -2 0 395.047 2.852 20 0 GFADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc3c2OCCC3=O)c1 ZINC000371598794 563282611 /nfs/dbraw/zinc/28/26/11/563282611.db2.gz UJEVHLGBOZSKQU-UHFFFAOYSA-N -2 0 381.793 2.804 20 0 GFADRL CC(C)(CCNC(=O)N=c1nc(SCc2ccccc2)[n-]s1)C(=O)[O-] ZINC000424375601 563377586 /nfs/dbraw/zinc/37/75/86/563377586.db2.gz AIUMRYNOZQMVIC-UHFFFAOYSA-N -2 0 380.495 2.875 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)c(Br)c1 ZINC000317539654 563443191 /nfs/dbraw/zinc/44/31/91/563443191.db2.gz WGBDDRRBYJKVEM-UHFFFAOYSA-N -2 0 386.223 2.962 20 0 GFADRL COC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000327641162 563459300 /nfs/dbraw/zinc/45/93/00/563459300.db2.gz BPZWGHHXJWJWMO-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL Cc1c(S(=O)(=O)[N-]c2cc(-c3ccccc3)sc2C(=O)[O-])cnn1C ZINC000427114114 563459782 /nfs/dbraw/zinc/45/97/82/563459782.db2.gz NCWHHDODHXPWPD-UHFFFAOYSA-N -2 0 377.447 2.956 20 0 GFADRL O=S(=O)(NCc1ncccc1O)c1cc(Cl)ccc1Br ZINC000429905695 563528160 /nfs/dbraw/zinc/52/81/60/563528160.db2.gz VQKLYYXNBDDQTC-UHFFFAOYSA-N -2 0 377.647 2.682 20 0 GFADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(F)(F)F)c2)c1 ZINC000431186739 563556709 /nfs/dbraw/zinc/55/67/09/563556709.db2.gz JJJGWSQWXXOXOP-UHFFFAOYSA-N -3 0 395.336 2.964 20 0 GFADRL COc1cncc(S(=O)(=O)[N-]c2ccc(C)cc2SCCC(=O)[O-])c1 ZINC000410400605 563589937 /nfs/dbraw/zinc/58/99/37/563589937.db2.gz LLMPDFYJUJMFNC-UHFFFAOYSA-N -2 0 382.463 2.766 20 0 GFADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2cc(Br)ccc2F)c1O ZINC000436995288 563687469 /nfs/dbraw/zinc/68/74/69/563687469.db2.gz QLVRJMNGMPYXRI-UHFFFAOYSA-N -2 0 390.186 2.793 20 0 GFADRL CNC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000438762215 563710436 /nfs/dbraw/zinc/71/04/36/563710436.db2.gz BFBZCIWCZPBKEM-UHFFFAOYSA-N -2 0 382.825 2.507 20 0 GFADRL CCc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(N)=O)cc1C(=O)[O-] ZINC000440826176 563751205 /nfs/dbraw/zinc/75/12/05/563751205.db2.gz MJQGDRQQXRFHCT-UHFFFAOYSA-N -2 0 382.825 2.500 20 0 GFADRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000507012612 564216432 /nfs/dbraw/zinc/21/64/32/564216432.db2.gz KGLXGSIDBWUNOG-UHFFFAOYSA-N -2 0 377.205 2.896 20 0 GFADRL COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(C)cc(C(=O)[O-])c1 ZINC000507562346 564232469 /nfs/dbraw/zinc/23/24/69/564232469.db2.gz CZOCQRJCHPZYLF-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL Cc1cccc(O)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Br)c1 ZINC000540695270 564255096 /nfs/dbraw/zinc/25/50/96/564255096.db2.gz HDPXJNOIFQJXQL-UHFFFAOYSA-N -2 0 386.223 2.962 20 0 GFADRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc2c1OCO2 ZINC000509074969 564280645 /nfs/dbraw/zinc/28/06/45/564280645.db2.gz NEMJKAHNWQTEIE-UHFFFAOYSA-N -2 0 385.781 2.576 20 0 GFADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(NC(=O)NC3CC3)cc2)c1 ZINC000511088873 564356874 /nfs/dbraw/zinc/35/68/74/564356874.db2.gz DRPUASGETKHMLE-UHFFFAOYSA-N -2 0 381.435 2.531 20 0 GFADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)[O-])s1 ZINC000543657887 564358216 /nfs/dbraw/zinc/35/82/16/564358216.db2.gz KSVDYYYQVVXTTN-UHFFFAOYSA-N -2 0 375.811 2.687 20 0 GFADRL Cc1cc(Br)c(O)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000477295145 564372731 /nfs/dbraw/zinc/37/27/31/564372731.db2.gz CUHLGGWGSLKPNL-UHFFFAOYSA-N -2 0 386.223 2.962 20 0 GFADRL Cc1c(Cl)cc(S(=O)(=O)Nc2ccc(F)cc2C(=O)[O-])cc1C(=O)[O-] ZINC000479294141 564434410 /nfs/dbraw/zinc/43/44/10/564434410.db2.gz HSBXGRPQALIGNJ-UHFFFAOYSA-N -2 0 387.772 2.985 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2c(OC)ccc(Cl)c2C(=O)[O-])c(F)c1 ZINC000480232055 564465183 /nfs/dbraw/zinc/46/51/83/564465183.db2.gz SLZNUHZQCPRPMH-UHFFFAOYSA-N -2 0 389.788 2.995 20 0 GFADRL O=C([O-])c1cccc(Cl)c1[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000547547191 564492372 /nfs/dbraw/zinc/49/23/72/564492372.db2.gz SFHGGFMIBZOBCW-UHFFFAOYSA-N -2 0 391.630 2.997 20 0 GFADRL CC[C@H](C[N-]S(=O)(=O)c1cc(F)c(Br)cc1F)CC(=O)[O-] ZINC000548264301 564545457 /nfs/dbraw/zinc/54/54/57/564545457.db2.gz KRQQZEQKUBRKDJ-ZETCQYMHSA-N -2 0 386.214 2.507 20 0 GFADRL C[C@H](CC[N-]S(=O)(=O)c1cc(F)c(Br)cc1F)CC(=O)[O-] ZINC000548265772 564545718 /nfs/dbraw/zinc/54/57/18/564545718.db2.gz JKDMJPQSWJZRLS-SSDOTTSWSA-N -2 0 386.214 2.507 20 0 GFADRL COCCOc1c(Cl)cccc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000519120739 564570233 /nfs/dbraw/zinc/57/02/33/564570233.db2.gz QJZJEXRYJGIVKK-UHFFFAOYSA-N -2 0 391.854 2.926 20 0 GFADRL COC(=O)c1cc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc(C)c1C ZINC000484105714 564582679 /nfs/dbraw/zinc/58/26/79/564582679.db2.gz KYNPWZIGVCALMZ-UHFFFAOYSA-N -2 0 383.447 2.959 20 0 GFADRL Cc1ccc([N-]S(=O)(=O)c2cnc3n2CCC3)c(SCCC(=O)[O-])c1 ZINC000484816383 564599903 /nfs/dbraw/zinc/59/99/03/564599903.db2.gz ASLJZDFWZSZHGG-UHFFFAOYSA-N -2 0 381.479 2.505 20 0 GFADRL CC(=O)Nc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000485262464 564611943 /nfs/dbraw/zinc/61/19/43/564611943.db2.gz QILAOYJTXAAFLS-UHFFFAOYSA-N -2 0 386.788 2.937 20 0 GFADRL Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1OC(F)(F)F ZINC000488287674 564709550 /nfs/dbraw/zinc/70/95/50/564709550.db2.gz RXUCBPBGGNSRHN-UHFFFAOYSA-N -2 0 380.300 2.689 20 0 GFADRL O=C([O-])[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000581373265 564799772 /nfs/dbraw/zinc/79/97/72/564799772.db2.gz PFRPYECMVQRUIF-ZETCQYMHSA-N -2 0 384.134 2.816 20 0 GFADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Br)ccc1O ZINC000494871125 564842757 /nfs/dbraw/zinc/84/27/57/564842757.db2.gz NICZCXHGMMIVCZ-UHFFFAOYSA-N -2 0 386.223 2.962 20 0 GFADRL CC[C@H](CC[N-]S(=O)(=O)c1cc(F)c(Br)cc1F)C(=O)[O-] ZINC000583248112 564882354 /nfs/dbraw/zinc/88/23/54/564882354.db2.gz RIWFRMRERRVNIZ-SSDOTTSWSA-N -2 0 386.214 2.507 20 0 GFADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2O)cc1 ZINC000530893899 564897162 /nfs/dbraw/zinc/89/71/62/564897162.db2.gz MSDQARXXXRYCNS-UHFFFAOYSA-N -2 0 386.223 2.583 20 0 GFADRL COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(Cl)c1 ZINC000466356548 564939280 /nfs/dbraw/zinc/93/92/80/564939280.db2.gz GZGLCYSPIIUOAB-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL CCc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cnn1-c1ccccc1 ZINC000466475502 564941408 /nfs/dbraw/zinc/94/14/08/564941408.db2.gz ULHLNIHBBINMEX-UHFFFAOYSA-N -2 0 377.447 2.995 20 0 GFADRL COc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000500278654 564949944 /nfs/dbraw/zinc/94/99/44/564949944.db2.gz CCCUYXUZGMAVOD-UHFFFAOYSA-N -2 0 385.825 2.921 20 0 GFADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000533691631 564970227 /nfs/dbraw/zinc/97/02/27/564970227.db2.gz ZLWUMOPJOPNPIC-UHFFFAOYSA-N -2 0 379.287 2.751 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)NC[C@@H](C)Oc1ccc(C)cc1 ZINC000563075071 565054584 /nfs/dbraw/zinc/05/45/84/565054584.db2.gz JAHSYTAIOXWHKX-LLVKDONJSA-N -2 0 385.463 2.509 20 0 GFADRL Cc1ccc([N-]S(=O)(=O)c2cc3c(cc2Cl)OCCO3)c(C(=O)[O-])c1 ZINC000588621970 565134244 /nfs/dbraw/zinc/13/42/44/565134244.db2.gz DOOPBNZUIFLJEO-UHFFFAOYSA-N -2 0 383.809 2.919 20 0 GFADRL COc1ncc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)cc1Cl ZINC000647127537 565639137 /nfs/dbraw/zinc/63/91/37/565639137.db2.gz SUAHVJWRUDQCSG-UHFFFAOYSA-N -2 0 384.841 2.907 20 0 GFADRL CCc1noc(C)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Br)c1 ZINC000677234698 565965878 /nfs/dbraw/zinc/96/58/78/565965878.db2.gz DOGCGBSFWXOOLJ-UHFFFAOYSA-N -2 0 389.227 2.807 20 0 GFADRL COc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2sccc2C)c(OC)c1OC ZINC000607611387 565986410 /nfs/dbraw/zinc/98/64/10/565986410.db2.gz ZITRKWDVXJPRPT-UHFFFAOYSA-N -2 0 387.435 2.581 20 0 GFADRL CSCc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1 ZINC000608955580 566027960 /nfs/dbraw/zinc/02/79/60/566027960.db2.gz AMBZGZLJXMCCHL-UHFFFAOYSA-N -2 0 381.431 2.747 20 0 GFADRL CC(C)N(C)C(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000655594193 566069809 /nfs/dbraw/zinc/06/98/09/566069809.db2.gz NIZHRMUBKVIVKS-UHFFFAOYSA-N -2 0 382.463 2.728 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCCC3)cc2)o1 ZINC000739382990 599739136 /nfs/dbraw/zinc/73/91/36/599739136.db2.gz MAOLDPQEPMESCZ-UHFFFAOYSA-N -2 0 392.433 2.841 20 0 GFADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)c1cccc(OC2CCCC2)c1 ZINC000739452054 599964730 /nfs/dbraw/zinc/96/47/30/599964730.db2.gz SGYRWJGZXDXWJD-UHFFFAOYSA-N -2 0 395.458 2.886 20 0 GFADRL CCC1=C(C(=O)[O-])[C@@H](c2cccc(O[C@@H](C)C(=O)[O-])c2)NC(=O)N1CC1CC1 ZINC000736932638 599988301 /nfs/dbraw/zinc/98/83/01/599988301.db2.gz ULFVPYIPHIRJDE-APPDUMDISA-N -2 0 388.420 2.764 20 0 GFADRL COC(=O)c1sc(S(=O)(=O)[N-]c2ccc(OC)cc2C)c(C(=O)[O-])c1C ZINC000737719033 600023807 /nfs/dbraw/zinc/02/38/07/600023807.db2.gz KYFDBJVDKORFRJ-UHFFFAOYSA-N -2 0 399.446 2.659 20 0 GFADRL O=C([O-])c1cc(C(F)(F)F)cc(S(=O)(=O)[N-]C(=O)Cc2cccs2)c1 ZINC000739348698 600045019 /nfs/dbraw/zinc/04/50/19/600045019.db2.gz COZQBDSODYJLLA-UHFFFAOYSA-N -2 0 393.364 2.513 20 0 GFADRL Cc1nc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)sc1C(=O)[O-] ZINC000738363452 600054997 /nfs/dbraw/zinc/05/49/97/600054997.db2.gz GYOXYXBIKIZZDO-UHFFFAOYSA-N -2 0 396.368 2.892 20 0 GFADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccnn2CCc2ccccc2)c1 ZINC000740144476 600055246 /nfs/dbraw/zinc/05/52/46/600055246.db2.gz QQLYCQDRCJXUQL-UHFFFAOYSA-N -2 0 389.408 2.764 20 0 GFADRL CCCn1nccc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000737051777 600057406 /nfs/dbraw/zinc/05/74/06/600057406.db2.gz TUKAQWNBVYVRFA-UHFFFAOYSA-N -2 0 377.344 2.811 20 0 GFADRL Cc1cc(C(=O)[O-])c2sc([N-]S(=O)(=O)c3ccc(F)c(F)c3)nc2n1 ZINC000738345539 600102363 /nfs/dbraw/zinc/10/23/63/600102363.db2.gz GHTCVFFBFSIUFB-UHFFFAOYSA-N -2 0 385.373 2.777 20 0 GFADRL Cc1ccc(F)c(S(=O)(=O)[N-]c2nc3nc(C)cc(C(=O)[O-])c3s2)c1 ZINC000738606901 600102520 /nfs/dbraw/zinc/10/25/20/600102520.db2.gz TUADKAZFTCOVMA-UHFFFAOYSA-N -2 0 381.410 2.946 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)nc2)ccc1Br ZINC000067244193 600168557 /nfs/dbraw/zinc/16/85/57/600168557.db2.gz RANUWZYWJZMWET-UHFFFAOYSA-N -2 0 391.630 2.997 20 0 GFADRL Cc1cc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c(C(=O)[O-])c1 ZINC000738359622 600235506 /nfs/dbraw/zinc/23/55/06/600235506.db2.gz VVAWLZRRHBATDZ-UHFFFAOYSA-N -3 0 385.344 2.779 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)CCc2cc(Cl)cs2)s1 ZINC000739251683 600352775 /nfs/dbraw/zinc/35/27/75/600352775.db2.gz KSPTYFCEIKIZTL-UHFFFAOYSA-N -2 0 379.868 2.599 20 0 GFADRL Cc1nc([N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@@H](C)C3)sc1C(=O)[O-] ZINC000738865591 600361234 /nfs/dbraw/zinc/36/12/34/600361234.db2.gz YBNYWEYSHYGEHL-LURJTMIESA-N -2 0 388.854 2.927 20 0 GFADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl ZINC000739695164 600463708 /nfs/dbraw/zinc/46/37/08/600463708.db2.gz JEZHLSLLZNQXGZ-UTCJRWHESA-N -2 0 399.774 2.683 20 0 GFADRL COC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1Cl ZINC000737700401 600483093 /nfs/dbraw/zinc/48/30/93/600483093.db2.gz SXIUAHSDPMBNST-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL CC(C)(CC(=O)[O-])CC(=O)Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)[O-])c1 ZINC000736310892 600503988 /nfs/dbraw/zinc/50/39/88/600503988.db2.gz ZALNNGOORRJQSZ-HNNXBMFYSA-N -2 0 390.436 2.595 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2nc3cc(Cl)ccc3n2C)cc1C(=O)[O-] ZINC000738069550 600659511 /nfs/dbraw/zinc/65/95/11/600659511.db2.gz KJMMEAKROHANPY-UHFFFAOYSA-N -2 0 395.824 2.734 20 0 GFADRL Cc1cccc(Oc2ccc([N-]S(=O)(=O)c3cnn(CC(=O)[O-])c3)cc2)c1 ZINC000832974784 600671714 /nfs/dbraw/zinc/67/17/14/600671714.db2.gz MNMKSGUTNQXBFZ-UHFFFAOYSA-N -2 0 387.417 2.869 20 0 GFADRL Cc1cccc(S(=O)(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c1C(=O)[O-] ZINC000738743879 600679054 /nfs/dbraw/zinc/67/90/54/600679054.db2.gz FXDPGFNZQJWNFV-UHFFFAOYSA-N -2 0 377.418 2.856 20 0 GFADRL CCCn1cc([N-]S(=O)(=O)c2ccc(Br)c(C(=O)[O-])c2)cn1 ZINC000743262507 600686239 /nfs/dbraw/zinc/68/62/39/600686239.db2.gz ZAUFRQXLFAFKES-UHFFFAOYSA-N -2 0 388.243 2.555 20 0 GFADRL Cn1cc(S(=O)(=O)[N-]c2nc(Cc3ccccc3)cs2)cc1C(=O)[O-] ZINC000833055181 600828403 /nfs/dbraw/zinc/82/84/03/600828403.db2.gz BLPLOFHPTARLLO-UHFFFAOYSA-N -2 0 377.447 2.571 20 0 GFADRL Cc1nc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)ccc1Br ZINC000316672020 600829261 /nfs/dbraw/zinc/82/92/61/600829261.db2.gz DJSVTDDQWMECFA-UHFFFAOYSA-N -2 0 389.202 2.791 20 0 GFADRL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2ccccc2C(=O)NC2CC2)c1 ZINC000740074777 600887390 /nfs/dbraw/zinc/88/73/90/600887390.db2.gz CDCQASREDZRPIS-UHFFFAOYSA-N -2 0 394.836 2.731 20 0 GFADRL COc1cccc(Cc2cnc([N-]S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)s2)c1 ZINC000832558261 600976651 /nfs/dbraw/zinc/97/66/51/600976651.db2.gz HYFUHTCFTTWQDJ-UHFFFAOYSA-N -2 0 393.446 2.570 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2cccnc2N2CCCCC2)ccc1C(=O)[O-] ZINC000832904605 600978978 /nfs/dbraw/zinc/97/89/78/600978978.db2.gz UYBZVIWRHJPKQN-UHFFFAOYSA-N -2 0 375.450 2.879 20 0 GFADRL Cc1cc(C(=O)[O-])c2sc([N-]S(=O)(=O)c3cccc(F)c3C)nc2n1 ZINC000832867998 600979197 /nfs/dbraw/zinc/97/91/97/600979197.db2.gz UREASVUDGQCEPV-UHFFFAOYSA-N -2 0 381.410 2.946 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(-c3ccc4c(c3)CCO4)n2)c[nH]1 ZINC000833306006 600981808 /nfs/dbraw/zinc/98/18/08/600981808.db2.gz GXZLLQRYNCWZDE-UHFFFAOYSA-N -2 0 385.401 2.511 20 0 GFADRL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OC(F)F)cc1 ZINC000460833014 601050367 /nfs/dbraw/zinc/05/03/67/601050367.db2.gz WWUCAFURZLVECJ-UHFFFAOYSA-N -2 0 391.323 2.691 20 0 GFADRL Cc1cc(C)c(C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C(F)(F)F)c2)o1 ZINC000832871992 601142265 /nfs/dbraw/zinc/14/22/65/601142265.db2.gz JOKGJHUVYXPKSH-UHFFFAOYSA-N -2 0 391.323 2.732 20 0 GFADRL CCCOC(=O)c1ccc([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2OC)cc1 ZINC000829523020 601149886 /nfs/dbraw/zinc/14/98/86/601149886.db2.gz OQLCWTUFTJVQJF-UHFFFAOYSA-N -2 0 399.446 2.823 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc(N(C)C)c(Cl)c1 ZINC000831945923 601201082 /nfs/dbraw/zinc/20/10/82/601201082.db2.gz MGJSFSYBIVGMNN-UHFFFAOYSA-N -2 0 390.870 2.975 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc(C)c(NC(C)=O)c1 ZINC000831945534 601203096 /nfs/dbraw/zinc/20/30/96/601203096.db2.gz JWDIISSDUIEYDP-UHFFFAOYSA-N -2 0 384.435 2.523 20 0 GFADRL Cc1nc(-c2ccc(C)c([N-]S(=O)(=O)c3c(C)oc(C)c3C(=O)[O-])c2)n[nH]1 ZINC000832991244 601205889 /nfs/dbraw/zinc/20/58/89/601205889.db2.gz SGXFMLPHJVIQHG-UHFFFAOYSA-N -2 0 390.421 2.797 20 0 GFADRL CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)cc1 ZINC000828758109 601232636 /nfs/dbraw/zinc/23/26/36/601232636.db2.gz HGXUQCQHJAYIRO-SNVBAGLBSA-N -2 0 380.422 2.615 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2ccc(-c3n[nH]c(C4CC4)n3)cc2)cc1C(=O)[O-] ZINC000833029414 601233332 /nfs/dbraw/zinc/23/33/32/601233332.db2.gz IPTWXQYPKGKCOV-UHFFFAOYSA-N -2 0 388.405 2.750 20 0 GFADRL O=C([O-])[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cc(Cl)sc2Cl)C1 ZINC000833185825 601236142 /nfs/dbraw/zinc/23/61/42/601236142.db2.gz YXFMFIRDWUMOSO-BQBZGAKWSA-N -2 0 386.278 2.751 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)c(Cl)cc1Cl ZINC000776468057 601249671 /nfs/dbraw/zinc/24/96/71/601249671.db2.gz DEAOKKGGKNDDCF-LLVKDONJSA-N -2 0 398.264 2.558 20 0 GFADRL CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000830232466 601251069 /nfs/dbraw/zinc/25/10/69/601251069.db2.gz XVKWQWSFGAAFBH-YHYXMXQVSA-N -2 0 375.402 2.846 20 0 GFADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)n1 ZINC000832889153 601289179 /nfs/dbraw/zinc/28/91/79/601289179.db2.gz DTZNVEYXMKERJJ-GOSISDBHSA-N -2 0 383.379 2.923 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccn(Cc3ccccc3)n2)ccc1F ZINC000055635809 601324035 /nfs/dbraw/zinc/32/40/35/601324035.db2.gz RTHYXKFUQJZKCD-UHFFFAOYSA-N -2 0 375.381 2.570 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccnn1C1CCCCC1 ZINC000832208757 601329392 /nfs/dbraw/zinc/32/93/92/601329392.db2.gz REJFIORHFAGXBP-UHFFFAOYSA-N -2 0 379.438 2.896 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(OCCC(=O)[O-])cc2)c1C ZINC000556799468 601330893 /nfs/dbraw/zinc/33/08/93/601330893.db2.gz DAKAFYNXPIDYON-UHFFFAOYSA-N -2 0 393.417 2.656 20 0 GFADRL Cc1cn(-c2ccccc2)nc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000730206018 601331195 /nfs/dbraw/zinc/33/11/95/601331195.db2.gz QDBYXLJHWDDXID-UHFFFAOYSA-N -2 0 375.381 2.819 20 0 GFADRL CC(C)(C(=O)[O-])c1ccc(NS(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)cc1 ZINC000826127447 601333037 /nfs/dbraw/zinc/33/30/37/601333037.db2.gz VEDSZUDLFGIQPQ-XGICHPGQSA-N -2 0 389.429 2.947 20 0 GFADRL Cc1cc(C)c(C(=O)[O-])c(NS(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)c1 ZINC000832872459 601335464 /nfs/dbraw/zinc/33/54/64/601335464.db2.gz WOAKZNFORZFXIZ-UHFFFAOYSA-N -2 0 393.417 2.656 20 0 GFADRL CN(C)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)nc1 ZINC000830639698 601360796 /nfs/dbraw/zinc/36/07/96/601360796.db2.gz NMWUOFFMTOLGLQ-UHFFFAOYSA-N -2 0 390.248 2.953 20 0 GFADRL COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc(F)c([O-])c(F)c2)cc1OC ZINC000832236006 601385956 /nfs/dbraw/zinc/38/59/56/601385956.db2.gz SYPYPLDIIOOITE-CYBMUJFWSA-N -2 0 381.331 2.633 20 0 GFADRL Cn1cc(S(=O)(=O)[N-]c2cc(Cc3ccccc3)ccc2O)cc1C(=O)[O-] ZINC000481945966 601474532 /nfs/dbraw/zinc/47/45/32/601474532.db2.gz KESMPVXBGZOOSX-UHFFFAOYSA-N -2 0 386.429 2.821 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)Nc2cccc(Cl)c2C(=O)[O-])cc(F)c1F ZINC000833306038 601484179 /nfs/dbraw/zinc/48/41/79/601484179.db2.gz QNUVIVKYERLMSX-UHFFFAOYSA-N -2 0 391.735 2.815 20 0 GFADRL COc1cc(OC)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cc1F ZINC000832030019 601489817 /nfs/dbraw/zinc/48/98/17/601489817.db2.gz ALXOZJUAADPSMF-UHFFFAOYSA-N -2 0 391.323 2.620 20 0 GFADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2nnc(Cc3cccc(F)c3)s2)c1 ZINC000833344412 601504297 /nfs/dbraw/zinc/50/42/97/601504297.db2.gz QBSIJYOWYBYLDR-UHFFFAOYSA-N -2 0 399.450 2.829 20 0 GFADRL COc1ccccc1-c1cc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)n[nH]1 ZINC000754826296 601603932 /nfs/dbraw/zinc/60/39/32/601603932.db2.gz FWOBCLDFLHDGHH-UHFFFAOYSA-N -2 0 391.380 2.723 20 0 GFADRL C[C@H](CS(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1Oc1ccccc1)C(=O)[O-] ZINC000827571481 601615681 /nfs/dbraw/zinc/61/56/81/601615681.db2.gz KLRPGLJKMHZNMT-LLVKDONJSA-N -3 0 379.390 2.640 20 0 GFADRL O=C([O-])N1CCC[C@@H](NC(=O)c2cc(Cl)cc(Br)c2[O-])C1 ZINC000833130368 601756813 /nfs/dbraw/zinc/75/68/13/601756813.db2.gz OWEYHBCHYSHXBO-MRVPVSSYSA-N -2 0 377.622 2.680 20 0 GFADRL Cn1cc(S(=O)(=O)[N-]c2cnccc2-c2cccc(F)c2)cc1C(=O)[O-] ZINC000833055826 601795551 /nfs/dbraw/zinc/79/55/51/601795551.db2.gz OVSFYRXWXMTVFB-UHFFFAOYSA-N -2 0 375.381 2.725 20 0 GFADRL Cc1nn(C)c2ncc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(F)cc3Cl)cc12 ZINC000746350606 601833388 /nfs/dbraw/zinc/83/33/88/601833388.db2.gz JMZQJXPIFHUUQQ-UHFFFAOYSA-N -2 0 398.803 2.568 20 0 GFADRL Cc1ccccc1-n1nccc1[N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000832976189 601847974 /nfs/dbraw/zinc/84/79/74/601847974.db2.gz IAMAJUNNWAOXMS-UHFFFAOYSA-N -2 0 375.381 2.819 20 0 GFADRL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1nnc(Cc2ccccc2)s1 ZINC000833294684 601848073 /nfs/dbraw/zinc/84/80/73/601848073.db2.gz TVTLGOHSGINWSY-UHFFFAOYSA-N -2 0 393.421 2.767 20 0 GFADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2cc(F)c(C)cc2F)c1OC ZINC000475735968 601881217 /nfs/dbraw/zinc/88/12/17/601881217.db2.gz ULJOQROQDDYUQW-UHFFFAOYSA-N -2 0 387.360 2.789 20 0 GFADRL Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1nc2c(s1)CN(C(=O)[O-])CC2 ZINC000740082850 601977311 /nfs/dbraw/zinc/97/73/11/601977311.db2.gz QEVKZLDDMKTMQD-UHFFFAOYSA-N -2 0 387.870 2.942 20 0 GFADRL O=C([O-])COc1ccc(NC(=O)C[C@]2(C(=O)[O-])CCSC2)c2ccccc12 ZINC000833256943 602069252 /nfs/dbraw/zinc/06/92/52/602069252.db2.gz VAEFHAPJAACFDC-LJQANCHMSA-N -2 0 389.429 2.840 20 0 GFADRL CC(C)Cc1ccc(S(=O)(=O)[N-]c2nnc(CCCC(=O)[O-])s2)cc1 ZINC000826912812 602104728 /nfs/dbraw/zinc/10/47/28/602104728.db2.gz HTINCXGYQWLOED-UHFFFAOYSA-N -2 0 383.495 2.945 20 0 GFADRL O=C([O-])CCCc1nnc([N-]S(=O)(=O)c2cccc3c2CCCC3)s1 ZINC000833232331 602105782 /nfs/dbraw/zinc/10/57/82/602105782.db2.gz NGOBNXWCQGPENU-UHFFFAOYSA-N -2 0 381.479 2.625 20 0 GFADRL Cc1cc([C@H]2NC(=O)N(CCCCC(=O)[O-])C(C)=C2C(=O)[O-])cnc1Cl ZINC000828136925 602111858 /nfs/dbraw/zinc/11/18/58/602111858.db2.gz ZQZYZEWXJAMQAJ-CQSZACIVSA-N -2 0 381.816 2.723 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(-c3cccc(F)c3F)[nH]n2)ccc1F ZINC000760364661 602118961 /nfs/dbraw/zinc/11/89/61/602118961.db2.gz LEZYLACDANYULR-UHFFFAOYSA-N -2 0 397.334 2.993 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2nnc(-c3ccc(Cl)cc3)s2)o1 ZINC000833323952 602157652 /nfs/dbraw/zinc/15/76/52/602157652.db2.gz FNRPKQFVGHIPQY-UHFFFAOYSA-N -2 0 385.810 2.951 20 0 GFADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000740106709 602245970 /nfs/dbraw/zinc/24/59/70/602245970.db2.gz IRIGVONLJOSAOV-UHFFFAOYSA-N -2 0 376.390 2.535 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(C3CC3)[nH]n2)c(Br)c1 ZINC000833323565 602307365 /nfs/dbraw/zinc/30/73/65/602307365.db2.gz NUJWYUCVHOXJNN-UHFFFAOYSA-N -2 0 386.227 2.549 20 0 GFADRL O=C([O-])Nc1cc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCC3)ccc1F ZINC000740699796 602566178 /nfs/dbraw/zinc/56/61/78/602566178.db2.gz XHVXIUBBASIOCQ-UHFFFAOYSA-N -2 0 378.381 2.523 20 0 GFADRL O=C([O-])N1CCC(C(=O)[N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000738507522 602686768 /nfs/dbraw/zinc/68/67/68/602686768.db2.gz KQUGPBIPWJLBFB-UHFFFAOYSA-N -2 0 388.445 2.549 20 0 GFADRL CC(C)(CC(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccccc1)NC(=O)[O-] ZINC000738739838 603033326 /nfs/dbraw/zinc/03/33/26/603033326.db2.gz ZPTXRUBLLJGCNZ-UHFFFAOYSA-N -2 0 391.449 2.862 20 0 GFADRL COc1ccccc1-n1cc(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])cc2)cn1 ZINC000829585751 603398477 /nfs/dbraw/zinc/39/84/77/603398477.db2.gz HWXVSVVAHKFMNJ-UHFFFAOYSA-N -2 0 388.405 2.772 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc([C@H](C)NC(=O)[O-])cc2)oc1C ZINC000828760313 603494328 /nfs/dbraw/zinc/49/43/28/603494328.db2.gz BCWGRPVJFCNUOL-VIFPVBQESA-N -2 0 382.394 2.504 20 0 GFADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CCC[C@H](N(C)C(=O)[O-])C3)n2)cc1 ZINC000824463324 603550292 /nfs/dbraw/zinc/55/02/92/603550292.db2.gz HJYUKJVJIVYZKM-INIZCTEOSA-N -2 0 386.452 2.916 20 0 GFADRL COc1ccc(NC(=O)c2cc(=O)n(-c3ccc(C)cc3)[n-]2)cc1NC(=O)[O-] ZINC000829474937 603656804 /nfs/dbraw/zinc/65/68/04/603656804.db2.gz VYJVSLLWIAPRCQ-UHFFFAOYSA-N -2 0 382.376 2.825 20 0 GFADRL COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1cccc2c1CCN2C(=O)[O-] ZINC000828739464 604014712 /nfs/dbraw/zinc/01/47/12/604014712.db2.gz NZPIFWVXLRSTDF-UHFFFAOYSA-N -2 0 390.417 2.623 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)[C@H](NC(=O)[O-])c2ccccc2)cc1C ZINC000830415144 604209105 /nfs/dbraw/zinc/20/91/05/604209105.db2.gz QANNFTSGSTVIBU-YOEHRIQHSA-N -2 0 390.461 2.753 20 0 GFADRL CCn1c(=O)c2ccc(C(=O)Nc3cc(C(=O)[O-])cs3)cc2[n-]c1=S ZINC000830412021 604314352 /nfs/dbraw/zinc/31/43/52/604314352.db2.gz JYJMNJSPRCMHAD-UHFFFAOYSA-N -2 0 375.431 2.717 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@@H](C)C2CCN(C(=O)[O-])CC2)cc1C ZINC000830414379 604383393 /nfs/dbraw/zinc/38/33/93/604383393.db2.gz JRMCRPWZOBNBIV-CQSZACIVSA-N -2 0 382.482 2.525 20 0 GFADRL COC(=O)c1c(C)c(C(=O)[O-])sc1S(=O)(=O)[N-]c1cc(C)cc(F)c1 ZINC000831235955 604641741 /nfs/dbraw/zinc/64/17/41/604641741.db2.gz FHHYOVMZLBEKQY-UHFFFAOYSA-N -2 0 387.410 2.790 20 0 GFADRL CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2ccc(C)cc2C(=O)[O-])c1C ZINC000476471955 604766575 /nfs/dbraw/zinc/76/65/75/604766575.db2.gz MMDJWFLDJGEACY-UHFFFAOYSA-N -2 0 380.422 2.616 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)N2CCCc3c(C(=O)[O-])cccc32)c(Cl)c1 ZINC000833324296 604768240 /nfs/dbraw/zinc/76/82/40/604768240.db2.gz BPZRVPGJDKVURC-UHFFFAOYSA-N -2 0 395.820 2.878 20 0 GFADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1F ZINC000833148969 604879725 /nfs/dbraw/zinc/87/97/25/604879725.db2.gz VNKIIEPSEPXKCW-UHFFFAOYSA-N -2 0 391.298 2.661 20 0 GFADRL C/C(=C\C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1)c1ccccc1 ZINC000833381922 605118039 /nfs/dbraw/zinc/11/80/39/605118039.db2.gz KGAHQKANQFTACK-PKNBQFBNSA-N -2 0 379.821 2.947 20 0 GFADRL CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]c2scc(C(=O)[O-])c2C)s1 ZINC000833395310 605125935 /nfs/dbraw/zinc/12/59/35/605125935.db2.gz MZEVCPOFFKPGOP-QMMMGPOBSA-N -2 0 388.492 2.814 20 0 GFADRL Cc1sc([N-]S(=O)(=O)c2ccc(N3CCOC3=O)cc2)c(C(=O)[O-])c1C ZINC000833758449 605302911 /nfs/dbraw/zinc/30/29/11/605302911.db2.gz YDHWPUWZYCUHGB-UHFFFAOYSA-N -2 0 396.446 2.821 20 0 GFADRL CC(C)CN1Cc2cccc([N-]S(=O)(=O)c3csnc3C(=O)[O-])c2C1 ZINC000833487128 605447178 /nfs/dbraw/zinc/44/71/78/605447178.db2.gz FECZUCDGCXRWJK-UHFFFAOYSA-N -2 0 381.479 2.614 20 0 GFADRL CC[C@H](C)[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000833639844 605680023 /nfs/dbraw/zinc/68/00/23/605680023.db2.gz ZFIIWVADINYBQY-DTWKUNHWSA-N -2 0 381.372 2.891 20 0 GFADRL O=C([O-])N1CCc2ncc([N-]S(=O)(=O)c3cc(F)cc(Cl)c3)cc2C1 ZINC000834120930 605877735 /nfs/dbraw/zinc/87/77/35/605877735.db2.gz NVEVIMYGMSEUOZ-UHFFFAOYSA-N -2 0 385.804 2.711 20 0 GFADRL O=C([O-])N[C@H](CCC(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F)c1ccccc1 ZINC000834137191 606050376 /nfs/dbraw/zinc/05/03/76/606050376.db2.gz JQFFLXRYZAFKMZ-WBVHZDCISA-N -2 0 392.358 2.996 20 0 GFADRL O=C([O-])N[C@H](CCC(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-])c1ccccc1 ZINC000834138050 606053247 /nfs/dbraw/zinc/05/32/47/606053247.db2.gz ROGGVWPDFJNJMD-IEBWSBKVSA-N -2 0 382.416 2.986 20 0 GFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2cc(C)n(C(C)C)n2)cc1C(=O)[O-] ZINC000817356982 660191302 /nfs/dbraw/zinc/19/13/02/660191302.db2.gz BEQYOSHPSPHFSN-UHFFFAOYSA-N -2 0 387.845 2.933 20 0 GFADRL CC(=O)c1cccc([N-]S(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)c1O ZINC000821102450 660315708 /nfs/dbraw/zinc/31/57/08/660315708.db2.gz MAAUYIGZUPFYCL-UHFFFAOYSA-N -2 0 387.772 2.886 20 0 GFADRL C[C@@H](C(=O)[O-])[C@H](C)NC(=O)c1cc(Br)c([O-])c(Br)c1 ZINC000909646793 664165521 /nfs/dbraw/zinc/16/55/21/664165521.db2.gz DJHQMVKNPQBLKE-RITPCOANSA-N -2 0 395.047 2.756 20 0 GFADRL C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000293640634 655360794 /nfs/dbraw/zinc/36/07/94/655360794.db2.gz GDFOGMBFSXNXHB-RDDDGLTNSA-N -2 0 382.741 2.856 20 0 GFADRL C#CCN(C)C(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1[O-] ZINC000191056202 655396809 /nfs/dbraw/zinc/39/68/09/655396809.db2.gz RSWMXXOARPFCLQ-UHFFFAOYSA-N -2 0 378.837 2.552 20 0 GFADRL C[C@@H](CN(C)C(=O)c1cc(Br)c([O-])c(Br)c1)C(=O)[O-] ZINC000263094076 655449487 /nfs/dbraw/zinc/44/94/87/655449487.db2.gz CINPSJNCQDTUOI-LURJTMIESA-N -2 0 395.047 2.710 20 0 GFADRL CSCC[C@@H](NS(=O)(=O)c1nc(C)sc1-c1ccccc1)C(=O)[O-] ZINC000596031968 655513866 /nfs/dbraw/zinc/51/38/66/655513866.db2.gz IMZNRBTUCNPLBA-GFCCVEGCSA-N -2 0 386.520 2.603 20 0 GFADRL COC(=O)c1cc(Cl)cc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c1 ZINC000736064556 655658172 /nfs/dbraw/zinc/65/81/72/655658172.db2.gz KNLFGLSZJTXUKN-UHFFFAOYSA-N -2 0 389.838 2.996 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Cl)c(OC)n1 ZINC000753773897 655858330 /nfs/dbraw/zinc/85/83/30/655858330.db2.gz FGEBRADIAUBKBH-UHFFFAOYSA-N -2 0 386.813 2.560 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2F)c1Cl ZINC000753773176 655858353 /nfs/dbraw/zinc/85/83/53/655858353.db2.gz VDBHLERRKAPJHO-UHFFFAOYSA-N -2 0 387.772 2.985 20 0 GFADRL O=C([O-])CCCOc1ccc(S(=O)(=O)[N-]c2ccc(F)nc2)cc1Cl ZINC000765141430 656133479 /nfs/dbraw/zinc/13/34/79/656133479.db2.gz BNPRTFCNYRRYAQ-UHFFFAOYSA-N -2 0 388.804 2.919 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3c2COC3=O)c(Cl)cc1F ZINC000808127672 659879583 /nfs/dbraw/zinc/87/95/83/659879583.db2.gz PKGRMWXKBNOEMM-UHFFFAOYSA-N -2 0 385.756 2.649 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3[nH]c(=O)oc32)cc(Cl)c1F ZINC000811706851 660014507 /nfs/dbraw/zinc/01/45/07/660014507.db2.gz YREDJDODNWAUSD-UHFFFAOYSA-N -2 0 386.744 2.825 20 0 GFADRL C[C@@H](CC[N-]S(=O)(=O)c1oc2ccccc2c1Br)C(=O)[O-] ZINC000864433037 662370924 /nfs/dbraw/zinc/37/09/24/662370924.db2.gz FJCCRIHDDIXDAO-QMMMGPOBSA-N -2 0 376.228 2.584 20 0 GFADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000910182685 664198244 /nfs/dbraw/zinc/19/82/44/664198244.db2.gz IGAIMZVGGCBGMV-WRWORJQWSA-N -2 0 379.718 2.749 20 0 GFADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)c2cccc(SC(F)(F)F)c2)C1 ZINC000910182123 664198317 /nfs/dbraw/zinc/19/83/17/664198317.db2.gz IEIPJLTUTRQBOB-MWLCHTKSSA-N -2 0 377.340 2.689 20 0 GFADRL COC(=O)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)ccc1Cl ZINC000392731820 677410050 /nfs/dbraw/zinc/41/00/50/677410050.db2.gz WVBKQSPXMOGJHE-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL O=C([O-])c1cc(F)c(F)cc1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000392572454 677410080 /nfs/dbraw/zinc/41/00/80/677410080.db2.gz CVLFHXAUICEAQN-UHFFFAOYSA-N -2 0 376.268 2.511 20 0 GFADRL CCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000045774687 551147738 /nfs/dbraw/zinc/14/77/38/551147738.db2.gz VRGAGPWXTQABGN-UHFFFAOYSA-N -2 0 382.463 2.695 20 0 GFADRL O=C([O-])c1cc([N-]S(=O)(=O)c2c[nH]c3ncccc23)ccc1Br ZINC000157131464 551533817 /nfs/dbraw/zinc/53/38/17/551533817.db2.gz BQUFVMWOIALVFS-UHFFFAOYSA-N -2 0 396.222 2.824 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2[N-]S(C)(=O)=O)c(F)cc1F ZINC000179765882 552202561 /nfs/dbraw/zinc/20/25/61/552202561.db2.gz MKILCLLSERXXRK-UHFFFAOYSA-N -2 0 394.396 2.585 20 0 GFADRL Cc1cc(C)c([N-]S(=O)(=O)c2cnn(CC(F)(F)F)c2)c(C(=O)[O-])c1 ZINC000186979146 552403014 /nfs/dbraw/zinc/40/30/14/552403014.db2.gz BPBNYUSRVIJBNG-UHFFFAOYSA-N -2 0 377.344 2.561 20 0 GFADRL O=C([O-])CC[C@H]1CCCC[C@H]1NS(=O)(=O)c1cccnc1C(F)(F)F ZINC000297232068 563320234 /nfs/dbraw/zinc/32/02/34/563320234.db2.gz PATGKPQDKPBYKN-GHMZBOCLSA-N -2 0 380.388 2.802 20 0 GFADRL COC(=O)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)ccc1Cl ZINC000324664842 563452854 /nfs/dbraw/zinc/45/28/54/563452854.db2.gz MBHQSVGXRLXUBF-UHFFFAOYSA-N -2 0 389.838 2.996 20 0 GFADRL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1ccc(S[C@H](C)C(=O)[O-])cc1 ZINC000284967441 563497566 /nfs/dbraw/zinc/49/75/66/563497566.db2.gz FFEKXSLHGWPMSD-SECBINFHSA-N -2 0 389.886 2.748 20 0 GFADRL O=C([O-])c1ccc(O)c(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2O)c1 ZINC000437002411 563688410 /nfs/dbraw/zinc/68/84/10/563688410.db2.gz MTRZQTWSIZLTJL-UHFFFAOYSA-N -2 0 378.189 2.904 20 0 GFADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1OC ZINC000447114262 563875280 /nfs/dbraw/zinc/87/52/80/563875280.db2.gz QAZSCUXVGHKXSX-UHFFFAOYSA-N -2 0 389.788 2.995 20 0 GFADRL Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1[N-]S(=O)(=O)c1cnc(Cl)c(C)c1 ZINC000369056202 563885748 /nfs/dbraw/zinc/88/57/48/563885748.db2.gz QYEYPNLFCKIVPV-UHFFFAOYSA-N -2 0 379.829 2.643 20 0 GFADRL Cn1ncc([N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)c1C(=O)[O-] ZINC000538093047 564182486 /nfs/dbraw/zinc/18/24/86/564182486.db2.gz LOWAVKBVIZOHCK-UHFFFAOYSA-N -2 0 398.853 2.696 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2c(F)c(F)cc(F)c2F)c(C(=O)[O-])c1 ZINC000507631244 564236223 /nfs/dbraw/zinc/23/62/23/564236223.db2.gz XRCSUHFWWWTDGB-UHFFFAOYSA-N -2 0 379.287 2.751 20 0 GFADRL CC(C)(C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000511105010 564357660 /nfs/dbraw/zinc/35/76/60/564357660.db2.gz HTVFXVKXRNXVCG-UHFFFAOYSA-N -2 0 382.463 2.775 20 0 GFADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cc(Br)ccc1O ZINC000477404432 564375733 /nfs/dbraw/zinc/37/57/33/564375733.db2.gz KKRTZDIJJOKOAP-UHFFFAOYSA-N -2 0 386.223 2.962 20 0 GFADRL Cc1c(Cl)cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)[nH]n2)cc1C(=O)[O-] ZINC000479290729 564434752 /nfs/dbraw/zinc/43/47/52/564434752.db2.gz XAABGDWNLPXJCD-UHFFFAOYSA-N -2 0 383.735 2.889 20 0 GFADRL COc1ccsc1S(=O)(=O)[N-]c1ccc2c(C(=O)[O-])c[nH]c(=O)c2c1 ZINC000568830291 564436313 /nfs/dbraw/zinc/43/63/13/564436313.db2.gz ZINJXNIDWNEPGT-UHFFFAOYSA-N -2 0 380.403 2.510 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)c(C(=O)[O-])c2)c[nH]1 ZINC000481437326 564512403 /nfs/dbraw/zinc/51/24/03/564512403.db2.gz OPGBKPQZLXMHGB-UHFFFAOYSA-N -3 0 379.177 2.519 20 0 GFADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000481595400 564516648 /nfs/dbraw/zinc/51/66/48/564516648.db2.gz HFHHQKPDTFCMFF-UHFFFAOYSA-N -2 0 376.312 2.608 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2c[nH]c3nccc(Cl)c32)c(C(=O)[O-])c1 ZINC000547919426 564521220 /nfs/dbraw/zinc/52/12/20/564521220.db2.gz JCMUOBACUAIRJS-UHFFFAOYSA-N -2 0 381.797 2.724 20 0 GFADRL CC(C)n1cnc(S(=O)(=O)[N-]c2ccc(Br)cc2C(=O)[O-])c1 ZINC000548527469 564555296 /nfs/dbraw/zinc/55/52/96/564555296.db2.gz IBTLTDHLZMSGKA-UHFFFAOYSA-N -2 0 388.243 2.726 20 0 GFADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccn(Cc2ccccc2)n1 ZINC000521531110 564629116 /nfs/dbraw/zinc/62/91/16/564629116.db2.gz QSGJHMWJADOTAO-UHFFFAOYSA-N -2 0 377.447 2.800 20 0 GFADRL COC[C@H](C)n1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)n1 ZINC000489011011 564726463 /nfs/dbraw/zinc/72/64/63/564726463.db2.gz KMUJOVRTSIBXFQ-VIFPVBQESA-N -2 0 387.845 2.551 20 0 GFADRL CC[C@@H](C)Oc1cc(C)ccc1CNS(=O)(=O)c1csnc1C(=O)[O-] ZINC000580831146 564775426 /nfs/dbraw/zinc/77/54/26/564775426.db2.gz FGXFUCSCTRAPRS-LLVKDONJSA-N -2 0 384.479 2.806 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2O)cc1F ZINC000532017118 564926964 /nfs/dbraw/zinc/92/69/64/564926964.db2.gz HNVBIDWIPKNQTR-UHFFFAOYSA-N -2 0 390.186 2.793 20 0 GFADRL CCc1nc(-c2ccccc2[N-]S(=O)(=O)c2csc(C(=O)[O-])c2)n[nH]1 ZINC000534400966 564987744 /nfs/dbraw/zinc/98/77/44/564987744.db2.gz FKLHORMKSIXBKL-UHFFFAOYSA-N -2 0 378.435 2.595 20 0 GFADRL O=C([O-])CCOc1ccc([N-]S(=O)(=O)c2ccc(Br)o2)cc1 ZINC000504507582 565041274 /nfs/dbraw/zinc/04/12/74/565041274.db2.gz JUHFFMALTDULKV-UHFFFAOYSA-N -2 0 390.211 2.696 20 0 GFADRL C[C@H](Sc1ccc([N-]S(=O)(=O)c2cccc3c2OCO3)cc1)C(=O)[O-] ZINC000504704294 565043575 /nfs/dbraw/zinc/04/35/75/565043575.db2.gz VIPXTGLOVMATLM-JTQLQIEISA-N -2 0 381.431 2.781 20 0 GFADRL Cc1nc(-c2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])sc3C)cc2)n[nH]1 ZINC000591681927 565236569 /nfs/dbraw/zinc/23/65/69/565236569.db2.gz VESOQDOKXWMNPN-UHFFFAOYSA-N -2 0 378.435 2.649 20 0 GFADRL C[C@@H]1C[C@@H](S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC(F)(F)F)CCO1 ZINC000650412553 565817788 /nfs/dbraw/zinc/81/77/88/565817788.db2.gz LVSRXKLNDLLHCM-SCZZXKLOSA-N -2 0 383.344 2.593 20 0 GFADRL C[C@H]1CC(=O)N(C)c2ccc([N-]S(=O)(=O)c3csc(C(=O)[O-])c3)cc21 ZINC000629333123 565845015 /nfs/dbraw/zinc/84/50/15/565845015.db2.gz PWKMPAGGOPCUKT-VIFPVBQESA-N -2 0 380.447 2.717 20 0 GFADRL Cc1sc(C(N)=O)cc1[N-]S(=O)(=O)c1cc(Cl)c(C)c(C(=O)[O-])c1 ZINC000684558824 566238843 /nfs/dbraw/zinc/23/88/43/566238843.db2.gz ZRTIBAKDYGEGTE-UHFFFAOYSA-N -2 0 388.854 2.616 20 0 GFADRL CCCOc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)OC)sc1C(=O)[O-] ZINC000737034436 599812910 /nfs/dbraw/zinc/81/29/10/599812910.db2.gz KJXOMNBGGNDMRO-UHFFFAOYSA-N -2 0 399.446 2.823 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2OC(C)C)c(C(=O)[O-])s1 ZINC000737680266 599813865 /nfs/dbraw/zinc/81/38/65/599813865.db2.gz GUAPGVAPZJPRGH-UHFFFAOYSA-N -2 0 399.446 2.821 20 0 GFADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000738291303 599853090 /nfs/dbraw/zinc/85/30/90/599853090.db2.gz OMBBQDRMUQNBNZ-UHFFFAOYSA-N -2 0 381.381 2.650 20 0 GFADRL COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc3cccnc32)c1 ZINC000737654827 599874439 /nfs/dbraw/zinc/87/44/39/599874439.db2.gz VXLFXGZLILRHTN-UHFFFAOYSA-N -2 0 386.385 2.520 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)ccc1C(=O)NC(C)C ZINC000264676414 599907594 /nfs/dbraw/zinc/90/75/94/599907594.db2.gz YCHSFGFDOHMKRA-UHFFFAOYSA-N -2 0 382.463 2.694 20 0 GFADRL COc1cc(F)c(S(=O)(=O)[N-]c2ccc(OCCC(=O)[O-])cc2)c(F)c1 ZINC000606825635 599926743 /nfs/dbraw/zinc/92/67/43/599926743.db2.gz KIAOGZOWOIBKAQ-UHFFFAOYSA-N -2 0 387.360 2.628 20 0 GFADRL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccnn2C2CCCCC2)cc1 ZINC000739826862 600054280 /nfs/dbraw/zinc/05/42/80/600054280.db2.gz XBMQPOBGEOQMAJ-UHFFFAOYSA-N -2 0 379.438 2.653 20 0 GFADRL Cc1nc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)sc1C(=O)[O-] ZINC000738363831 600054701 /nfs/dbraw/zinc/05/47/01/600054701.db2.gz NWRDDMPJOSCXBD-UHFFFAOYSA-N -2 0 382.341 2.849 20 0 GFADRL Cc1nc([N-]S(=O)(=O)c2ccc(Br)s2)sc1C(=O)[O-] ZINC000738864747 600054786 /nfs/dbraw/zinc/05/47/86/600054786.db2.gz BHPZTVQZSFEAGP-UHFFFAOYSA-N -2 0 383.270 2.775 20 0 GFADRL O=C([O-])CCCNC(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1[O-] ZINC000738576670 600058413 /nfs/dbraw/zinc/05/84/13/600058413.db2.gz VIBJOQWHDUBBEI-UHFFFAOYSA-N -2 0 382.825 2.954 20 0 GFADRL COCCCOc1ccccc1[N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000737761275 600097884 /nfs/dbraw/zinc/09/78/84/600097884.db2.gz DRSQAQJTHRWZHZ-UHFFFAOYSA-N -2 0 383.397 2.740 20 0 GFADRL O=C([O-])c1ccc(-c2noc(C[N-]S(=O)(=O)c3ccc(Cl)s3)n2)cc1 ZINC000740101662 600115228 /nfs/dbraw/zinc/11/52/28/600115228.db2.gz QNFGKNIVHUFPCP-UHFFFAOYSA-N -2 0 399.837 2.628 20 0 GFADRL C[C@@](NC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1)(C(=O)[O-])C1CC1 ZINC000539606798 600200092 /nfs/dbraw/zinc/20/00/92/600200092.db2.gz RPMSRMAGGGVYTF-KRWDZBQOSA-N -2 0 394.474 2.532 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)c(F)cc1F ZINC000732047584 600231479 /nfs/dbraw/zinc/23/14/79/600231479.db2.gz UQYGEKYPEHSIKR-UHFFFAOYSA-N -2 0 385.344 2.559 20 0 GFADRL CC(C)n1ncc2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(F)cc3F)cnc21 ZINC000736539511 600231579 /nfs/dbraw/zinc/23/15/79/600231579.db2.gz HQUJHFFZUIFFOM-UHFFFAOYSA-N -2 0 396.375 2.789 20 0 GFADRL COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(CNC(=O)[O-])cc2)c1 ZINC000737690611 600302231 /nfs/dbraw/zinc/30/22/31/600302231.db2.gz CYGRXTQSXIIEOL-UHFFFAOYSA-N -2 0 398.824 2.695 20 0 GFADRL CC(C)(C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)c1cccc(Cl)c1 ZINC000736223773 600352769 /nfs/dbraw/zinc/35/27/69/600352769.db2.gz OHKRSVSAXGDNFS-UHFFFAOYSA-N -2 0 395.864 2.962 20 0 GFADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1ccc(Oc2ccc(F)cc2F)cc1 ZINC000739693361 600462868 /nfs/dbraw/zinc/46/28/68/600462868.db2.gz ZCHHSVBHPWGTNG-UHFFFAOYSA-N -2 0 399.371 2.682 20 0 GFADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl ZINC000739695167 600463699 /nfs/dbraw/zinc/46/36/99/600463699.db2.gz JEZHLSLLZNQXGZ-ZZXKWVIFSA-N -2 0 399.774 2.683 20 0 GFADRL COC(=O)c1ccc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])cc1Cl ZINC000737700745 600483240 /nfs/dbraw/zinc/48/32/40/600483240.db2.gz WECDNQDZSMSHBC-UHFFFAOYSA-N -2 0 375.811 2.687 20 0 GFADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OCCCC(=O)[O-])cc2)s1 ZINC000737703206 600489032 /nfs/dbraw/zinc/48/90/32/600489032.db2.gz UFOBIXJQIHBHST-UHFFFAOYSA-N -2 0 399.446 2.579 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2ccnn2C2CCCCC2)cc1C(=O)[O-] ZINC000738069554 600544565 /nfs/dbraw/zinc/54/45/65/600544565.db2.gz KNZNPKZPCGZSJM-UHFFFAOYSA-N -2 0 379.438 2.896 20 0 GFADRL CCOc1ccc(OC)cc1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC000520626368 600545113 /nfs/dbraw/zinc/54/51/13/600545113.db2.gz KHACKRFTMSORTQ-UHFFFAOYSA-N -2 0 381.406 2.602 20 0 GFADRL COC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000327321158 600625844 /nfs/dbraw/zinc/62/58/44/600625844.db2.gz ZYUBNVSKTHLOJY-UHFFFAOYSA-N -2 0 383.809 2.555 20 0 GFADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2n[nH]c(C3CC3)n2)cc1 ZINC000481965988 600626919 /nfs/dbraw/zinc/62/69/19/600626919.db2.gz OJLMODKLKUKKQC-UHFFFAOYSA-N -2 0 398.444 2.777 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCCC3)c2)cs1 ZINC000298875861 600676587 /nfs/dbraw/zinc/67/65/87/600676587.db2.gz WPAHOGRINFXAIQ-UHFFFAOYSA-N -2 0 394.474 2.873 20 0 GFADRL Cn1cc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3)cc2)cc1C(=O)[O-] ZINC000519326414 600813192 /nfs/dbraw/zinc/81/31/92/600813192.db2.gz NBFNCWZVBJIZDD-UHFFFAOYSA-N -2 0 399.428 2.776 20 0 GFADRL Cn1cc(S(=O)(=O)[N-]c2nc3c(cc(F)c(F)c3F)s2)cc1C(=O)[O-] ZINC000833055563 600828552 /nfs/dbraw/zinc/82/85/52/600828552.db2.gz IGVSMERBFQAKIG-UHFFFAOYSA-N -2 0 391.352 2.551 20 0 GFADRL CC(=O)N(C)c1ccccc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000736123452 600894353 /nfs/dbraw/zinc/89/43/53/600894353.db2.gz JZZSGNYRONFHCJ-UHFFFAOYSA-N -2 0 382.825 2.822 20 0 GFADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)c1cccc(-c2cscn2)c1 ZINC000833148468 600938377 /nfs/dbraw/zinc/93/83/77/600938377.db2.gz KELVYAWFOLWSAT-UHFFFAOYSA-N -2 0 394.455 2.689 20 0 GFADRL CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000829009824 600941105 /nfs/dbraw/zinc/94/11/05/600941105.db2.gz RYLRHBMOQZEMOA-TUAOUCFPSA-N -2 0 389.495 2.625 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ncc(C(C)C)s2)c(C(=O)[O-])s1 ZINC000831353720 600984152 /nfs/dbraw/zinc/98/41/52/600984152.db2.gz PNYYZNADBSSIFW-UHFFFAOYSA-N -2 0 390.464 2.614 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2cnn(-c3ccccc3F)c2)ccc1C(=O)[O-] ZINC000460824015 601048122 /nfs/dbraw/zinc/04/81/22/601048122.db2.gz OSPATDPGDZBBCV-UHFFFAOYSA-N -2 0 375.381 2.819 20 0 GFADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nc(C(C)C)cs1 ZINC000831374272 601196112 /nfs/dbraw/zinc/19/61/12/601196112.db2.gz RSAVFCOOGQGZAB-UHFFFAOYSA-N -2 0 384.435 2.552 20 0 GFADRL CCCN1Cc2cccc([N-]S(=O)(=O)c3sc(C(=O)[O-])cc3OC)c2C1 ZINC000829508336 601203482 /nfs/dbraw/zinc/20/34/82/601203482.db2.gz SJUWOPYXWDCMTJ-UHFFFAOYSA-N -2 0 396.490 2.981 20 0 GFADRL CCOc1cc2c(cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1)O[C@@H](C)C2 ZINC000830053865 601231206 /nfs/dbraw/zinc/23/12/06/601231206.db2.gz ACRSHUFGCKMKHS-VIFPVBQESA-N -2 0 381.406 2.809 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2C(=O)[O-])oc1C ZINC000831348369 601232573 /nfs/dbraw/zinc/23/25/73/601232573.db2.gz GHMYMFBMSMYNBF-UHFFFAOYSA-N -2 0 381.406 2.997 20 0 GFADRL COC(=O)c1ccc(OC(C)C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)c1 ZINC000831439835 601232639 /nfs/dbraw/zinc/23/26/39/601232639.db2.gz AHEZBCFOSZZBEC-UHFFFAOYSA-N -2 0 397.405 2.661 20 0 GFADRL Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000832924511 601235816 /nfs/dbraw/zinc/23/58/16/601235816.db2.gz QFAFJLLMWPPITF-ZIAGYGMSSA-N -2 0 381.494 2.988 20 0 GFADRL O=C([O-])[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)C1 ZINC000833183185 601239520 /nfs/dbraw/zinc/23/95/20/601239520.db2.gz ALCNLAFABYHFBN-BDAKNGLRSA-N -2 0 397.346 2.540 20 0 GFADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)Nc2cccc(OCC(=O)[O-])c2)n1 ZINC000832889750 601277820 /nfs/dbraw/zinc/27/78/20/601277820.db2.gz NWMLDWVHEOOIPD-UHFFFAOYSA-N -2 0 385.351 2.741 20 0 GFADRL O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)CSc1n[n-]c(=S)s1 ZINC000833177482 601292097 /nfs/dbraw/zinc/29/20/97/601292097.db2.gz OZFZIRGDYOIMGM-MNOVXSKESA-N -2 0 387.552 2.801 20 0 GFADRL Cc1nc(-c2ccccc2[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)no1 ZINC000368748124 601322828 /nfs/dbraw/zinc/32/28/28/601322828.db2.gz BJDDXSULESQBGA-UHFFFAOYSA-N -2 0 377.353 2.683 20 0 GFADRL CCn1cnnc1-c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000732044806 601323530 /nfs/dbraw/zinc/32/35/30/601323530.db2.gz NEFWGLCTVRKNRA-UHFFFAOYSA-N -2 0 390.396 2.603 20 0 GFADRL COCCCOc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1OC ZINC000057120977 601325563 /nfs/dbraw/zinc/32/55/63/601325563.db2.gz WVAQJPCBHFTXFR-UHFFFAOYSA-N -2 0 395.433 2.610 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1OCC1CC1 ZINC000525369140 601332345 /nfs/dbraw/zinc/33/23/45/601332345.db2.gz OERANMUHIBDJGG-UHFFFAOYSA-N -2 0 377.418 2.983 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2cnccc2C(=O)[O-])sc1Br ZINC000123579886 601338339 /nfs/dbraw/zinc/33/83/39/601338339.db2.gz CJSDIGTURIWPEC-UHFFFAOYSA-N -2 0 377.241 2.713 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccnc2N2CCCC2)c1C ZINC000832866848 601360359 /nfs/dbraw/zinc/36/03/59/601360359.db2.gz XHIJTNNHWDVVNJ-UHFFFAOYSA-N -2 0 375.450 2.798 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C(F)(F)F)n1 ZINC000832208541 601360460 /nfs/dbraw/zinc/36/04/60/601360460.db2.gz DILNWMCNXSQRCG-UHFFFAOYSA-N -2 0 376.312 2.608 20 0 GFADRL CC(C)Cn1cnc(S(=O)(=O)[N-]c2cccc(CSCC(=O)[O-])c2)c1 ZINC000826924635 601387449 /nfs/dbraw/zinc/38/74/49/601387449.db2.gz LSYMVXPJHNASEQ-UHFFFAOYSA-N -2 0 383.495 2.658 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)ncc1Br ZINC000317630428 601396052 /nfs/dbraw/zinc/39/60/52/601396052.db2.gz WGZGNMUPCBEHAR-UHFFFAOYSA-N -2 0 385.239 2.580 20 0 GFADRL CCCCc1nc2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])n(C)c3)ccc2[nH]1 ZINC000532291031 601485249 /nfs/dbraw/zinc/48/52/49/601485249.db2.gz HYVYYKKMNVTGQI-UHFFFAOYSA-N -2 0 376.438 2.743 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2nnc(Cc3ccc(F)cc3)s2)cc1 ZINC000833324751 601504423 /nfs/dbraw/zinc/50/44/23/601504423.db2.gz YGMGANAVRUPXHH-UHFFFAOYSA-N -2 0 393.421 2.767 20 0 GFADRL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000754254554 601574642 /nfs/dbraw/zinc/57/46/42/601574642.db2.gz BJQYOQQZMKYYCI-UHFFFAOYSA-N -3 0 397.380 2.810 20 0 GFADRL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000443363085 601574836 /nfs/dbraw/zinc/57/48/36/601574836.db2.gz ABGKLMNJDINVEO-UHFFFAOYSA-N -3 0 379.390 2.671 20 0 GFADRL Cc1ccncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000832984909 601576648 /nfs/dbraw/zinc/57/66/48/601576648.db2.gz OLGGVIAMGFQCFL-UHFFFAOYSA-N -2 0 389.202 2.791 20 0 GFADRL Cc1ccncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Br ZINC000832984657 601576751 /nfs/dbraw/zinc/57/67/51/601576751.db2.gz CEPAOHSJRXFYEK-UHFFFAOYSA-N -2 0 389.202 2.791 20 0 GFADRL Cc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000832934672 601629818 /nfs/dbraw/zinc/62/98/18/601629818.db2.gz RMWZBTQRHFKRCF-UHFFFAOYSA-N -2 0 385.781 2.551 20 0 GFADRL CCc1ccccc1-n1cc([O-])c(C(=O)Nc2ccc(OCC(=O)[O-])cc2)n1 ZINC000830269673 601756604 /nfs/dbraw/zinc/75/66/04/601756604.db2.gz BGNMMPUMWIJTNI-UHFFFAOYSA-N -2 0 381.388 2.856 20 0 GFADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Br)c(C)n1 ZINC000317522321 601770772 /nfs/dbraw/zinc/77/07/72/601770772.db2.gz IYSLZGPRNUEVNS-UHFFFAOYSA-N -2 0 385.239 2.960 20 0 GFADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(C(=O)CCC(=O)[O-])c1 ZINC000469083995 601788197 /nfs/dbraw/zinc/78/81/97/601788197.db2.gz UMBXTTAPGBUTHF-UHFFFAOYSA-N -2 0 391.401 2.542 20 0 GFADRL Cc1[nH]c(C([O-])=CS(=O)(=O)c2ncc(C(C)(C)C)s2)c(C)c1C(=O)[O-] ZINC000832843123 601851623 /nfs/dbraw/zinc/85/16/23/601851623.db2.gz IXDCIVOZVKCIPD-UHFFFAOYSA-N -2 0 384.479 2.740 20 0 GFADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000832867731 601861572 /nfs/dbraw/zinc/86/15/72/601861572.db2.gz DCYHZTNHQCPNMV-UHFFFAOYSA-N -2 0 395.458 2.812 20 0 GFADRL COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1cc(Cl)cc(C(=O)[O-])c1 ZINC000831225673 601862949 /nfs/dbraw/zinc/86/29/49/601862949.db2.gz AIXWNHDODFMEPR-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2cc(F)ccc2Br)cc1C(=O)[O-] ZINC000833027843 601864962 /nfs/dbraw/zinc/86/49/62/601864962.db2.gz YSKNXANHCRFUNO-UHFFFAOYSA-N -2 0 378.175 2.989 20 0 GFADRL COc1ccc(S(=O)(=O)Nc2c(C)ccc(Cl)c2C(=O)[O-])cc1C(=O)[O-] ZINC000444673271 601881024 /nfs/dbraw/zinc/88/10/24/601881024.db2.gz HTBRXZWIGIOBIG-UHFFFAOYSA-N -2 0 399.808 2.854 20 0 GFADRL O=C([O-])Nc1cc(C(=O)[N-]S(=O)(=O)c2cccs2)cc(C(F)(F)F)c1 ZINC000833284797 602030584 /nfs/dbraw/zinc/03/05/84/602030584.db2.gz YPYVDMKSCGGDJU-UHFFFAOYSA-N -2 0 394.352 2.976 20 0 GFADRL O=C([O-])c1csc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c1 ZINC000833343840 602118441 /nfs/dbraw/zinc/11/84/41/602118441.db2.gz RUSVTKFKXIKBTQ-UHFFFAOYSA-N -3 0 379.774 2.738 20 0 GFADRL COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000831852069 602119660 /nfs/dbraw/zinc/11/96/60/602119660.db2.gz PSYBJPHMWORECG-UHFFFAOYSA-N -2 0 379.287 2.751 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2csnc2C(=O)[O-])c(Cl)c1Cl ZINC000832468965 602155660 /nfs/dbraw/zinc/15/56/60/602155660.db2.gz WWWPTVMLOGGQES-UHFFFAOYSA-N -2 0 383.234 2.958 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]C(=O)c2cccc(NC(=O)[O-])c2)c(Cl)cc1F ZINC000832903012 602348740 /nfs/dbraw/zinc/34/87/40/602348740.db2.gz LWUWGZXGWKYOGA-UHFFFAOYSA-N -2 0 386.788 2.996 20 0 GFADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(=O)[O-])s1 ZINC000739793910 602646070 /nfs/dbraw/zinc/64/60/70/602646070.db2.gz XSQVCOCFCMBTQN-UHFFFAOYSA-N -2 0 396.446 2.766 20 0 GFADRL C[C@@H]1CN(C(=O)c2cc(Cl)cc(Br)c2[O-])CC[C@H]1NC(=O)[O-] ZINC000826034577 603838895 /nfs/dbraw/zinc/83/88/95/603838895.db2.gz KSLJVOGGKFPATL-RDDDGLTNSA-N -2 0 391.649 2.926 20 0 GFADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N2CCSCC2)cc1C ZINC000462077944 604503156 /nfs/dbraw/zinc/50/31/56/604503156.db2.gz ZVQXFNPFCMNUAU-UHFFFAOYSA-N -2 0 396.490 2.949 20 0 GFADRL CCc1noc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Br ZINC000754761508 604504171 /nfs/dbraw/zinc/50/41/71/604504171.db2.gz YABFACCWGMQKFE-UHFFFAOYSA-N -2 0 389.227 2.807 20 0 GFADRL O=C([O-])CCc1csc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)n1 ZINC000833244206 604626016 /nfs/dbraw/zinc/62/60/16/604626016.db2.gz WKBXACGZBSHPKD-UHFFFAOYSA-N -2 0 396.368 2.860 20 0 GFADRL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000833741972 605127657 /nfs/dbraw/zinc/12/76/57/605127657.db2.gz YBTAMVIAKNITTC-UHFFFAOYSA-N -3 0 377.346 2.532 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])nn1-c1cccc(F)c1 ZINC000833747100 605128182 /nfs/dbraw/zinc/12/81/82/605128182.db2.gz QQPISGWRORKCIH-UHFFFAOYSA-N -2 0 375.381 2.819 20 0 GFADRL CC(C)(C)c1ncc([N-]S(=O)(=O)c2cccc3c2ccnc3C(=O)[O-])cn1 ZINC000833450630 605151426 /nfs/dbraw/zinc/15/14/26/605151426.db2.gz GSCXRURRBINJRP-UHFFFAOYSA-N -2 0 386.433 2.821 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1[N+](=O)[O-] ZINC000327045633 605166122 /nfs/dbraw/zinc/16/61/22/605166122.db2.gz LPYUQDYXODAFRU-UHFFFAOYSA-N -2 0 386.769 2.756 20 0 GFADRL COc1ccc2nc([N-]S(=O)(=O)c3cc(F)cc(C(=O)[O-])c3)sc2c1 ZINC000833734920 605167996 /nfs/dbraw/zinc/16/79/96/605167996.db2.gz LDOVCMHWDDYVMA-UHFFFAOYSA-N -2 0 382.394 2.943 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC(C)C)c(C(=O)[O-])c1 ZINC000833750813 605186019 /nfs/dbraw/zinc/18/60/19/605186019.db2.gz AIJRXSKXAAEBAO-UHFFFAOYSA-N -2 0 376.434 2.632 20 0 GFADRL CC(C)(C)OC(=O)Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)c1 ZINC000833433960 605187064 /nfs/dbraw/zinc/18/70/64/605187064.db2.gz GIKSRWZHDSHHBM-UHFFFAOYSA-N -2 0 381.406 2.663 20 0 GFADRL CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3sccc3C(=O)[O-])ccc21 ZINC000833394372 605203767 /nfs/dbraw/zinc/20/37/67/605203767.db2.gz WITSWDXSSPICPV-UHFFFAOYSA-N -2 0 380.447 2.546 20 0 GFADRL CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2nc3c(cccc3C(=O)[O-])[nH]2)cc1 ZINC000833467572 605783290 /nfs/dbraw/zinc/78/32/90/605783290.db2.gz ZHMJNHAVZINVHF-UHFFFAOYSA-N -2 0 387.417 2.901 20 0 GFADRL O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)NC[C@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000834172619 606062580 /nfs/dbraw/zinc/06/25/80/606062580.db2.gz MXTSHMNKOONHMS-RYQLBKOJSA-N -2 0 384.432 2.636 20 0 GFADRL O=C([O-])COc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)[O-])cc1Cl ZINC000834064943 606069994 /nfs/dbraw/zinc/06/99/94/606069994.db2.gz HEKPZEQDZCIWAO-AWEZNQCLSA-N -2 0 392.795 2.621 20 0 GFADRL O=C([O-])CCCc1ccc([N-]S(=O)(=O)c2c[nH]nc2C(F)(F)F)cc1 ZINC000821190909 660318495 /nfs/dbraw/zinc/31/84/95/660318495.db2.gz HVXUKSPECOFGPZ-UHFFFAOYSA-N -2 0 377.344 2.637 20 0 GFADRL CSCc1cc(C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])ccc1F ZINC000832766603 660799284 /nfs/dbraw/zinc/79/92/84/660799284.db2.gz ICSBDBOFBIKOIF-UHFFFAOYSA-N -2 0 389.451 2.567 20 0 GFADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000055577584 654777979 /nfs/dbraw/zinc/77/79/79/654777979.db2.gz OWZKWJVQUBPZHC-UHFFFAOYSA-N -2 0 386.382 2.955 20 0 GFADRL CN(CCNC(=O)c1ccc([O-])c(Cl)c1)C(=O)c1ccc([O-])c(Cl)c1 ZINC000119386085 655301931 /nfs/dbraw/zinc/30/19/31/655301931.db2.gz UIJKEEVSLIQMLV-UHFFFAOYSA-N -2 0 383.231 2.907 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2ccc(Br)nc2C)ccc1C(=O)[O-] ZINC000319035304 655381427 /nfs/dbraw/zinc/38/14/27/655381427.db2.gz RTRQKUGNHAFMBJ-UHFFFAOYSA-N -2 0 385.239 2.960 20 0 GFADRL CO[C@H](CS(=O)(=O)[N-]c1cc(Cl)cc(Br)c1[O-])C1CC1 ZINC000576040668 655442429 /nfs/dbraw/zinc/44/24/29/655442429.db2.gz NUGTZZUIQYFZFN-LLVKDONJSA-N -2 0 384.679 2.975 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnc(C3CC3)nc2)ccc1Br ZINC000728509654 655556115 /nfs/dbraw/zinc/55/61/15/655556115.db2.gz QXNWJGCUYSGKTL-UHFFFAOYSA-N -2 0 398.238 2.616 20 0 GFADRL COc1c(F)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)cc1F ZINC000753773759 655858319 /nfs/dbraw/zinc/85/83/19/655858319.db2.gz CFCPTFMNECVEDH-UHFFFAOYSA-N -2 0 375.324 2.920 20 0 GFADRL CC[C@H]([N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br)C(F)F ZINC000840890247 661199655 /nfs/dbraw/zinc/19/96/55/661199655.db2.gz KHDSNQGMYMCLPF-YFKPBYRVSA-N -2 0 378.216 2.531 20 0 GFADRL COc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c(C(=O)[O-])c1 ZINC000758164879 655924928 /nfs/dbraw/zinc/92/49/28/655924928.db2.gz UFBBQEPZSNVSJZ-UHFFFAOYSA-N -2 0 385.781 2.546 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)[nH]n2)c1Cl ZINC000760271611 655974108 /nfs/dbraw/zinc/97/41/08/655974108.db2.gz FJDJNGPPJARMAP-UHFFFAOYSA-N -2 0 383.735 2.889 20 0 GFADRL CC(C)(C)c1cc([N-]S(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)n[nH]1 ZINC000767740002 656218070 /nfs/dbraw/zinc/21/80/70/656218070.db2.gz UKHUDMKTEPMFRK-UHFFFAOYSA-N -2 0 375.809 2.999 20 0 GFADRL CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000769302504 656270007 /nfs/dbraw/zinc/27/00/07/656270007.db2.gz RMBZGIOXGQCBLV-UHFFFAOYSA-N -2 0 381.410 2.879 20 0 GFADRL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-]c2cc(F)ccc2O)s1 ZINC000769634739 656283638 /nfs/dbraw/zinc/28/36/38/656283638.db2.gz UZKZCLBTPNBXEZ-UHFFFAOYSA-N -2 0 396.215 2.854 20 0 GFADRL CCc1nn(C)cc1[N-]S(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000773257474 656406908 /nfs/dbraw/zinc/40/69/08/656406908.db2.gz XHVYVFGTWOOAMS-UHFFFAOYSA-N -2 0 378.237 2.788 20 0 GFADRL CC(=O)OCCCc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000776428225 656739694 /nfs/dbraw/zinc/73/96/94/656739694.db2.gz VFYMJWNRBGPVKN-UHFFFAOYSA-N -2 0 383.447 2.743 20 0 GFADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccccc2[C@@H](O)C(F)(F)F)c1 ZINC000777744054 656833717 /nfs/dbraw/zinc/83/37/17/656833717.db2.gz KLMAAFNFILTQJE-LLVKDONJSA-N -2 0 381.353 2.843 20 0 GFADRL COC(=O)c1sc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])c(C)c1Cl ZINC000788440745 657718098 /nfs/dbraw/zinc/71/80/98/657718098.db2.gz KANKNEZRRYZCCV-UHFFFAOYSA-N -2 0 389.838 2.996 20 0 GFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2cccc3c2OCO3)cc1C(=O)[O-] ZINC000790402923 657969220 /nfs/dbraw/zinc/96/92/20/657969220.db2.gz FTJLJKHGYNUXQW-UHFFFAOYSA-N -2 0 385.781 2.576 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)CCC(=O)[O-])c2)c(Cl)n1 ZINC000800838174 659335869 /nfs/dbraw/zinc/33/58/69/659335869.db2.gz VSISRMVYTQYLDA-UHFFFAOYSA-N -2 0 382.825 2.892 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(OC(F)F)nc2)cc(Cl)c1F ZINC000802723090 659496524 /nfs/dbraw/zinc/49/65/24/659496524.db2.gz YUDCLGDJQWBQPM-UHFFFAOYSA-N -2 0 396.730 2.975 20 0 GFADRL O=C([O-])[C@H](C(=O)[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C1CCCC1 ZINC000863959145 662351191 /nfs/dbraw/zinc/35/11/91/662351191.db2.gz VCSMRLIQGUEAID-LBPRGKRZSA-N -2 0 380.249 2.689 20 0 GFADRL O=C([O-])c1cccc(C(=O)[N-]S(=O)(=O)C2CCC(C(F)(F)F)CC2)c1 ZINC000863962664 662351622 /nfs/dbraw/zinc/35/16/22/662351622.db2.gz SSJILMZNUHKQJL-UHFFFAOYSA-N -2 0 379.356 2.566 20 0 GFADRL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1oc2ccccc2c1Br)C1CC1 ZINC000864433494 662370916 /nfs/dbraw/zinc/37/09/16/662370916.db2.gz MBYTVDZTCPUYOL-SNVBAGLBSA-N -2 0 388.239 2.727 20 0 GFADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)/C=C\c2ccsc2C(F)(F)F)C1 ZINC000910184034 664198329 /nfs/dbraw/zinc/19/83/29/664198329.db2.gz PLSKVCNIRFWYPR-IMDSDMBUSA-N -2 0 377.340 2.557 20 0 GFADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc(SC(F)(F)F)cc1 ZINC000910190304 664198610 /nfs/dbraw/zinc/19/86/10/664198610.db2.gz WEKQVALYHLOAQD-GXSJLCMTSA-N -2 0 377.340 2.689 20 0 GFADRL COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)ccc1C(=O)[O-] ZINC000013029761 551108598 /nfs/dbraw/zinc/10/85/98/551108598.db2.gz AVABCXPNBHTFEY-UHFFFAOYSA-N -2 0 386.769 2.756 20 0 GFADRL COc1cc([N-]S(=O)(=O)c2cccc(Cl)c2F)c(C(=O)[O-])cc1OC ZINC000042122859 551138082 /nfs/dbraw/zinc/13/80/82/551138082.db2.gz ZGUUAKLQFQRTCT-UHFFFAOYSA-N -2 0 389.788 2.995 20 0 GFADRL CC(C)n1cc(S(=O)(=O)[N-]c2cc(Br)cc(C(=O)[O-])c2)cn1 ZINC000156377421 551521661 /nfs/dbraw/zinc/52/16/61/551521661.db2.gz LEJDOBHBSWTFHP-UHFFFAOYSA-N -2 0 388.243 2.726 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2cnn(CC(F)(F)F)c2)c(C(=O)[O-])cc1C ZINC000194611973 553025114 /nfs/dbraw/zinc/02/51/14/553025114.db2.gz NLOPWVKWWHNQCK-UHFFFAOYSA-N -2 0 377.344 2.561 20 0 GFADRL Cn1ncc(Cl)c1S(=O)(=O)[N-]c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000326252223 563454656 /nfs/dbraw/zinc/45/46/56/563454656.db2.gz OUNFFPWINZVTFZ-UHFFFAOYSA-N -2 0 383.735 2.591 20 0 GFADRL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cc2c(cc1Cl)NC(=O)C2 ZINC000327275283 563456990 /nfs/dbraw/zinc/45/69/90/563456990.db2.gz HOWUSGPTGXPILM-UHFFFAOYSA-N -2 0 380.809 2.642 20 0 GFADRL COc1cc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)c(OC)cc1Cl ZINC000327262666 563457261 /nfs/dbraw/zinc/45/72/61/563457261.db2.gz DKXJVOXMENSGAR-UHFFFAOYSA-N -2 0 385.825 2.785 20 0 GFADRL CCn1cc(S(=O)(=O)[N-]c2ccc(Br)c(F)c2)cc1C(=O)[O-] ZINC000387951335 563520335 /nfs/dbraw/zinc/52/03/35/563520335.db2.gz CNYMXWZNZIEBMG-UHFFFAOYSA-N -2 0 391.218 2.909 20 0 GFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)c(O)c1 ZINC000392294927 563526180 /nfs/dbraw/zinc/52/61/80/563526180.db2.gz YTEBYSKIWQRSFD-UHFFFAOYSA-N -2 0 377.296 2.790 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CS3)sc1C(=O)[O-] ZINC000392097853 563526455 /nfs/dbraw/zinc/52/64/55/563526455.db2.gz OGSIGEFDOITMDN-UHFFFAOYSA-N -2 0 384.460 2.600 20 0 GFADRL Cc1c(C[S@@](C)=O)cccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000438777022 563710587 /nfs/dbraw/zinc/71/05/87/563710587.db2.gz WXOORFYLCLRHST-XMMPIXPASA-N -2 0 385.438 2.512 20 0 GFADRL Cc1cc(S(=O)(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)sc1C(=O)[O-] ZINC000363644996 563729497 /nfs/dbraw/zinc/72/94/97/563729497.db2.gz AWWZZABRNHESSB-SNVBAGLBSA-N -2 0 381.431 2.522 20 0 GFADRL Cc1nc(C2(NS(=O)(=O)c3cc(C(=O)[O-])cs3)CCCCCC2)no1 ZINC000563963394 564214355 /nfs/dbraw/zinc/21/43/55/564214355.db2.gz GXTKCBIYVPLPBB-UHFFFAOYSA-N -2 0 385.467 2.666 20 0 GFADRL C[C@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])c2cccc(Cl)c2O1 ZINC000473429130 564247243 /nfs/dbraw/zinc/24/72/43/564247243.db2.gz BNLGILBHSIUHNZ-VIFPVBQESA-N -2 0 383.809 2.720 20 0 GFADRL CCCC(C)(C)NS(=O)(=O)c1ccc(NS(=O)(=O)CCC)cc1F ZINC000451137446 564278999 /nfs/dbraw/zinc/27/89/99/564278999.db2.gz ULNQEWJSQNBNPQ-UHFFFAOYSA-N -2 0 380.507 2.834 20 0 GFADRL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000545125375 564409312 /nfs/dbraw/zinc/40/93/12/564409312.db2.gz MRKWTTGQXJEBKR-UHFFFAOYSA-N -2 0 383.809 2.775 20 0 GFADRL O=C([O-])CCC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2O)cc1 ZINC000513816781 564440129 /nfs/dbraw/zinc/44/01/29/564440129.db2.gz UHIQEEDPKGDCOX-UHFFFAOYSA-N -2 0 383.809 2.894 20 0 GFADRL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1cnn(CC(F)F)c1 ZINC000479460157 564440590 /nfs/dbraw/zinc/44/05/90/564440590.db2.gz TUXPQCYXOMZYAI-UHFFFAOYSA-N -2 0 379.772 2.609 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2O)c(Br)c1 ZINC000481602581 564518017 /nfs/dbraw/zinc/51/80/17/564518017.db2.gz GGJPVJQPIBXXEY-UHFFFAOYSA-N -2 0 390.186 2.793 20 0 GFADRL COc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(C(=O)[O-])c2)cc1Cl ZINC000548198456 564535578 /nfs/dbraw/zinc/53/55/78/564535578.db2.gz SVJFRFZMKFQPNJ-UHFFFAOYSA-N -2 0 385.781 2.546 20 0 GFADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)[nH]cc3C(=O)[O-])s1 ZINC000517663267 564538888 /nfs/dbraw/zinc/53/88/88/564538888.db2.gz TZYOTKKFMFGRAP-UHFFFAOYSA-N -2 0 380.403 2.515 20 0 GFADRL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl ZINC000484588567 564591857 /nfs/dbraw/zinc/59/18/57/564591857.db2.gz WXFXJRJNCALXOZ-UHFFFAOYSA-N -2 0 382.781 2.582 20 0 GFADRL COc1ccc(NC(C)=O)c([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)c1 ZINC000520628540 564608904 /nfs/dbraw/zinc/60/89/04/564608904.db2.gz HZNKBNKHSKLNCK-UHFFFAOYSA-N -2 0 384.435 2.523 20 0 GFADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2ccc(Cl)cc2F)c1OC ZINC000467329151 564961184 /nfs/dbraw/zinc/96/11/84/564961184.db2.gz HDKWWMNVKDLFOC-UHFFFAOYSA-N -2 0 389.788 2.995 20 0 GFADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(CCCC(=O)[O-])cc2)s1 ZINC000534686771 564993828 /nfs/dbraw/zinc/99/38/28/564993828.db2.gz FKMMUKMEXVZOAQ-UHFFFAOYSA-N -2 0 383.447 2.743 20 0 GFADRL COc1ccc(O)c(S(=O)(=O)[N-]c2cc3c(cc2SC)OCCO3)c1 ZINC000537196123 565054298 /nfs/dbraw/zinc/05/42/98/565054298.db2.gz UQROGFGPMXZQCO-UHFFFAOYSA-N -2 0 383.447 2.695 20 0 GFADRL COc1ccc(O)c(S(=O)(=O)[N-]c2cn(CC(C)C)nc2C(F)F)c1 ZINC000537194912 565054599 /nfs/dbraw/zinc/05/45/99/565054599.db2.gz OVBGOOMLMJSQIO-UHFFFAOYSA-N -2 0 375.397 2.992 20 0 GFADRL CNC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000591680280 565236387 /nfs/dbraw/zinc/23/63/87/565236387.db2.gz KZEANGVETKIMTI-UHFFFAOYSA-N -2 0 388.854 2.569 20 0 GFADRL CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)s1 ZINC000617466900 565241644 /nfs/dbraw/zinc/24/16/44/565241644.db2.gz RZHGWODXDORXLY-QMMMGPOBSA-N -2 0 386.426 2.583 20 0 GFADRL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cc(F)c(Br)cc1F)C1CCC1 ZINC000663255904 565403838 /nfs/dbraw/zinc/40/38/38/565403838.db2.gz TYTZPKFBSFCLFG-QMMMGPOBSA-N -2 0 398.225 2.507 20 0 GFADRL Nc1c([N-]S(=O)(=O)c2cccc(F)c2)cc(Br)cc1C(=O)[O-] ZINC000670372447 565719957 /nfs/dbraw/zinc/71/99/57/565719957.db2.gz OXOVVABINBHYFK-UHFFFAOYSA-N -2 0 389.202 2.669 20 0 GFADRL COC1(CS(=O)(=O)Nc2cc(Cl)c(Cl)c(C(=O)[O-])c2)CCOCC1 ZINC000650184524 565802639 /nfs/dbraw/zinc/80/26/39/565802639.db2.gz NQYZTJHTTDAUKQ-UHFFFAOYSA-N -2 0 398.264 2.629 20 0 GFADRL CC(C)(C[N-]S(=O)(=O)c1cc(F)c(Br)cc1F)CC(=O)[O-] ZINC000681576640 566114550 /nfs/dbraw/zinc/11/45/50/566114550.db2.gz BGHQMGRBLMFFNC-UHFFFAOYSA-N -2 0 386.214 2.507 20 0 GFADRL Cc1cc(C)c(S(=O)(=O)Nc2ccccc2CC(=O)[O-])c(C)c1CC(=O)[O-] ZINC000820968230 597718188 /nfs/dbraw/zinc/71/81/88/597718188.db2.gz WRUKJCSYZDNTKC-UHFFFAOYSA-N -2 0 391.445 2.667 20 0 GFADRL CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])s1 ZINC000067660018 599851391 /nfs/dbraw/zinc/85/13/91/599851391.db2.gz TVRCLJLAZHBHKI-MRVPVSSYSA-N -2 0 386.426 2.583 20 0 GFADRL CC(=O)Nc1cc(F)c(F)cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000477425808 599907039 /nfs/dbraw/zinc/90/70/39/599907039.db2.gz PQYJRRQACOQUAW-UHFFFAOYSA-N -2 0 384.360 2.731 20 0 GFADRL O=C([O-])CSCc1cccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000739874710 599928032 /nfs/dbraw/zinc/92/80/32/599928032.db2.gz WUVMIRHOMALULR-UHFFFAOYSA-N -3 0 387.460 2.565 20 0 GFADRL CC[C@H](C)N1C(=O)N[C@@H](c2ccc(OCCC(=O)[O-])cc2)C(C(=O)[O-])=C1C ZINC000736885001 599984778 /nfs/dbraw/zinc/98/47/78/599984778.db2.gz UGLLOEJFVGCDSJ-GTNSWQLSSA-N -2 0 376.409 2.764 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)n(-c2ccccn2)n1 ZINC000738463301 600052633 /nfs/dbraw/zinc/05/26/33/600052633.db2.gz LXVNPMLJHQORFL-UHFFFAOYSA-N -2 0 392.824 2.728 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2nc(C)c(C(=O)[O-])s2)c2cccnc12 ZINC000738069582 600054464 /nfs/dbraw/zinc/05/44/64/600054464.db2.gz MNNHSYDLVMEQSJ-UHFFFAOYSA-N -2 0 379.419 2.507 20 0 GFADRL Cc1cn(-c2ccccc2)nc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000738799414 600058660 /nfs/dbraw/zinc/05/86/60/600058660.db2.gz WIHNIWMFIBDAMC-UHFFFAOYSA-N -2 0 375.381 2.819 20 0 GFADRL COCCOc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000466287201 600099286 /nfs/dbraw/zinc/09/92/86/600099286.db2.gz ITIXITCHRLCTCK-UHFFFAOYSA-N -2 0 383.397 2.658 20 0 GFADRL CCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000737108900 600245058 /nfs/dbraw/zinc/24/50/58/600245058.db2.gz NUKDPKWJMDKOBU-UHFFFAOYSA-N -2 0 377.418 2.617 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2ccc(F)cc2Br)c(C(=O)[O-])[nH]1 ZINC000163454198 600254570 /nfs/dbraw/zinc/25/45/70/600254570.db2.gz WKVSHHLXBNBEAI-UHFFFAOYSA-N -2 0 377.191 2.724 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2cc(Br)c(F)cc2F)c(C(=O)[O-])[nH]1 ZINC000738462279 600255573 /nfs/dbraw/zinc/25/55/73/600255573.db2.gz KDWXRGNTHGLAFT-UHFFFAOYSA-N -2 0 395.181 2.863 20 0 GFADRL O=C([O-])NCc1ccc([N-]S(=O)(=O)c2c(Cl)nc3sccn32)cc1 ZINC000740001030 600303623 /nfs/dbraw/zinc/30/36/23/600303623.db2.gz MHXWGBYXKCDVRY-UHFFFAOYSA-N -2 0 386.842 2.618 20 0 GFADRL CCc1ccc([C@H](C)CC(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000737256021 600511093 /nfs/dbraw/zinc/51/10/93/600511093.db2.gz FAVFSOMHLUPICL-CYBMUJFWSA-N -2 0 375.446 2.946 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)c(C(=O)[O-])s1 ZINC000737681170 600565125 /nfs/dbraw/zinc/56/51/25/600565125.db2.gz QJUDMCLCCOLIBK-UHFFFAOYSA-N -2 0 380.403 2.515 20 0 GFADRL CC1=C(C(=O)[O-])[C@H](c2cccc(OCC(=O)[O-])c2)NC(=O)N1Cc1ccccc1 ZINC000736752314 600625174 /nfs/dbraw/zinc/62/51/74/600625174.db2.gz VYYSHNKYOUFURG-IBGZPJMESA-N -2 0 396.399 2.775 20 0 GFADRL CCCn1c2ccccc2nc1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC000737051252 600658977 /nfs/dbraw/zinc/65/89/77/600658977.db2.gz SLHBCQURPFVOQI-UHFFFAOYSA-N -2 0 389.433 2.954 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2cccnc2N2CCCCC2)cc1C(=O)[O-] ZINC000738069894 600659125 /nfs/dbraw/zinc/65/91/25/600659125.db2.gz NOUWLOMWHBQYMK-UHFFFAOYSA-N -2 0 391.449 2.580 20 0 GFADRL CCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc(OC)c2OC)c(C)c1 ZINC000467327260 600897632 /nfs/dbraw/zinc/89/76/32/600897632.db2.gz GSDRRKRCXLTBAR-UHFFFAOYSA-N -2 0 395.433 2.910 20 0 GFADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)c1OC ZINC000267503730 600898969 /nfs/dbraw/zinc/89/89/69/600898969.db2.gz IBIPFXDWIABFHT-JTQLQIEISA-N -2 0 393.417 2.526 20 0 GFADRL C[C@@H](CCc1cccc(F)c1)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000827428425 600940974 /nfs/dbraw/zinc/94/09/74/600940974.db2.gz WBXGFXSUDIFBKY-JTQLQIEISA-N -2 0 385.438 2.659 20 0 GFADRL C[C@@H](CCc1ccccc1F)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000827428422 600941058 /nfs/dbraw/zinc/94/10/58/600941058.db2.gz WBGXTVVYGMJUHQ-JTQLQIEISA-N -2 0 385.438 2.659 20 0 GFADRL C[C@H](CCc1cccc(F)c1)C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000827428486 600944716 /nfs/dbraw/zinc/94/47/16/600944716.db2.gz XNQHRDIQLKSXIC-GFCCVEGCSA-N -2 0 379.409 2.598 20 0 GFADRL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(NC(=O)C3CC3)nc2)c1 ZINC000833297985 600979999 /nfs/dbraw/zinc/97/99/99/600979999.db2.gz ZCVGEVHTIOIRJT-UHFFFAOYSA-N -2 0 395.824 2.583 20 0 GFADRL Cc1cscc1C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000832990307 601142220 /nfs/dbraw/zinc/14/22/20/601142220.db2.gz UODCJLQWFOXYPA-UHFFFAOYSA-N -2 0 393.364 2.892 20 0 GFADRL COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2nc(C(C)C)cs2)c1 ZINC000831243186 601196084 /nfs/dbraw/zinc/19/60/84/601196084.db2.gz VVIFDBOPANFUCJ-UHFFFAOYSA-N -2 0 384.435 2.552 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cccnc1N1CCCCC1 ZINC000831945891 601200723 /nfs/dbraw/zinc/20/07/23/601200723.db2.gz LDHJQVDKBXQWLW-UHFFFAOYSA-N -2 0 397.478 2.641 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCCC[C@@H]3O)cc2)s1 ZINC000833323574 601204347 /nfs/dbraw/zinc/20/43/47/601204347.db2.gz OIIZPEVFVFLXOE-UONOGXRCSA-N -2 0 397.474 2.929 20 0 GFADRL COCc1nc2cc([N-]S(=O)(=O)c3sc(C(=O)[O-])cc3OC)ccc2o1 ZINC000831830972 601230089 /nfs/dbraw/zinc/23/00/89/601230089.db2.gz BYSVNHNKFUIFTH-UHFFFAOYSA-N -2 0 398.418 2.543 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2ccc(NC(=O)NC(C)C)cc2)cc1C(=O)[O-] ZINC000833030007 601232225 /nfs/dbraw/zinc/23/22/25/601232225.db2.gz PYNPBIGPMGCEOA-UHFFFAOYSA-N -2 0 381.410 2.617 20 0 GFADRL O=C([O-])Nc1cc(NS(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)ccc1F ZINC000833283261 601233368 /nfs/dbraw/zinc/23/33/68/601233368.db2.gz QHIWWZDZILLFPH-UHFFFAOYSA-N -2 0 390.295 2.693 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2ccc(Br)c(F)c2)cc1C(=O)[O-] ZINC000833030057 601234286 /nfs/dbraw/zinc/23/42/86/601234286.db2.gz QLBCRIHBJFXLQI-UHFFFAOYSA-N -2 0 378.175 2.989 20 0 GFADRL O=C([O-])c1cc(Cl)cc(NS(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)c1 ZINC000833298373 601234372 /nfs/dbraw/zinc/23/43/72/601234372.db2.gz ZETFLZHXNWPVHZ-UHFFFAOYSA-N -2 0 391.735 2.815 20 0 GFADRL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cc1C(=O)N(C)C ZINC000489597737 601250522 /nfs/dbraw/zinc/25/05/22/601250522.db2.gz XTRGZNSJEAGOOB-UHFFFAOYSA-N -2 0 396.852 2.849 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nc(-c2ccccc2)ns1 ZINC000832208604 601361651 /nfs/dbraw/zinc/36/16/51/601361651.db2.gz HSQDDBGPZMKEHB-UHFFFAOYSA-N -2 0 391.430 2.713 20 0 GFADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2nc(C(C)(C)C)c(C(=O)[O-])s2)cc1 ZINC000831444855 601362746 /nfs/dbraw/zinc/36/27/46/601362746.db2.gz SUZCFXDCIAEVOK-UHFFFAOYSA-N -2 0 398.462 2.726 20 0 GFADRL O=C([O-])c1nc(Cl)ccc1S(=O)(=O)[N-]c1cccc(Br)c1 ZINC000833345237 601383383 /nfs/dbraw/zinc/38/33/83/601383383.db2.gz TZHYOPVMMPTIDX-UHFFFAOYSA-N -2 0 391.630 2.997 20 0 GFADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1cccc(-c2noc(C3CC3)n2)c1 ZINC000833345994 601492862 /nfs/dbraw/zinc/49/28/62/601492862.db2.gz IXSAHIFCDBRKBI-UHFFFAOYSA-N -2 0 392.418 2.570 20 0 GFADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2nnc(Cc3ccccc3)s2)c1 ZINC000833344338 601502779 /nfs/dbraw/zinc/50/27/79/601502779.db2.gz MMHBLTMXTRPNHR-UHFFFAOYSA-N -2 0 381.460 2.689 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2nnc(Cc3ccccc3)s2)cs1 ZINC000833306406 601502800 /nfs/dbraw/zinc/50/28/00/601502800.db2.gz QSOMKQKURZAFSP-UHFFFAOYSA-N -2 0 381.460 2.689 20 0 GFADRL O=C([O-])C[C@@H](NC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1)C1CC1 ZINC000767076550 601532879 /nfs/dbraw/zinc/53/28/79/601532879.db2.gz YPBOZWQOUBMXIX-CQSZACIVSA-N -2 0 394.474 2.532 20 0 GFADRL CCc1ccccc1-n1cc([O-])c(C(=O)N(CCC(=O)[O-])Cc2ccncc2)n1 ZINC000830270636 601562221 /nfs/dbraw/zinc/56/22/21/601562221.db2.gz WIEWYPPFHQSGSW-UHFFFAOYSA-N -2 0 394.431 2.652 20 0 GFADRL Cc1ccc(-n2[n-]c(C(=O)N[C@H](c3ccccc3)[C@@H](C)C(=O)[O-])cc2=O)cc1 ZINC000832909714 601610691 /nfs/dbraw/zinc/61/06/91/601610691.db2.gz HMWLVYJTMGZDHL-KUHUBIRLSA-N -2 0 379.416 2.666 20 0 GFADRL C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O)c1ccccc1 ZINC000826044851 601634352 /nfs/dbraw/zinc/63/43/52/601634352.db2.gz MRYQZCTVAWBSES-MEBBXXQBSA-N -2 0 383.429 2.816 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2c(-c3ccccn3)nc3ccccn32)cc1 ZINC000833323321 601770447 /nfs/dbraw/zinc/77/04/47/601770447.db2.gz CBQCXASTAYMBLY-UHFFFAOYSA-N -2 0 394.412 2.895 20 0 GFADRL O=C([O-])c1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000729664732 601828541 /nfs/dbraw/zinc/82/85/41/601828541.db2.gz BUWORMOCIAZUCQ-UHFFFAOYSA-N -2 0 395.820 2.878 20 0 GFADRL O=C([O-])C[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c2ccccc21 ZINC000363260802 601829749 /nfs/dbraw/zinc/82/97/49/601829749.db2.gz ZNRJUYJRKNQYJD-JTQLQIEISA-N -2 0 395.820 2.805 20 0 GFADRL Cc1cc(CCCC(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)c(C)s1 ZINC000832881579 601843401 /nfs/dbraw/zinc/84/34/01/601843401.db2.gz HTMBOPGMHNISOB-UHFFFAOYSA-N -2 0 387.504 2.952 20 0 GFADRL COc1ccc2nc([N-]S(=O)(=O)c3cccc(F)c3C(=O)[O-])sc2c1 ZINC000832510315 601847575 /nfs/dbraw/zinc/84/75/75/601847575.db2.gz GWFALXSIMRTCNZ-UHFFFAOYSA-N -2 0 382.394 2.943 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2O[C@H]2CCOC2)c1C ZINC000532099888 601854817 /nfs/dbraw/zinc/85/48/17/601854817.db2.gz VBWQTBXUUSDRSK-HNNXBMFYSA-N -2 0 391.445 2.970 20 0 GFADRL COc1cc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])c(OC)cc1Cl ZINC000832030108 601856642 /nfs/dbraw/zinc/85/66/42/601856642.db2.gz HEUKKPOXTWPGIT-UHFFFAOYSA-N -2 0 389.788 2.995 20 0 GFADRL O=C([O-])c1ccc(OCc2ccccc2)c([N-]S(=O)(=O)C[C@H]2CCCO2)c1 ZINC000833324040 601987341 /nfs/dbraw/zinc/98/73/41/601987341.db2.gz RKQCSQABWDXVKX-MRXNPFEDSA-N -2 0 391.445 2.885 20 0 GFADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2nnc(-c3ccsc3)s2)cc1 ZINC000833267633 602103858 /nfs/dbraw/zinc/10/38/58/602103858.db2.gz XJNAWDUIBTWKGY-UHFFFAOYSA-N -2 0 381.460 2.695 20 0 GFADRL Cc1ccc(Cc2nnc([N-]S(=O)(=O)c3csc(C(=O)[O-])c3)s2)cc1 ZINC000832933666 602104899 /nfs/dbraw/zinc/10/48/99/602104899.db2.gz CKPRPDNKHXVDNV-UHFFFAOYSA-N -2 0 395.487 2.998 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(-c3cccnc3)[nH]n2)ccc1Cl ZINC000833304057 602212703 /nfs/dbraw/zinc/21/27/03/602212703.db2.gz OPIPHXSPOHAPDX-UHFFFAOYSA-N -2 0 378.797 2.624 20 0 GFADRL Cc1cc(Oc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(C)o3)cc2)n[nH]1 ZINC000832901022 602301669 /nfs/dbraw/zinc/30/16/69/602301669.db2.gz SPZWEVQGRXQZMD-UHFFFAOYSA-N -2 0 377.378 2.911 20 0 GFADRL C[C@H](C(=O)[O-])[C@H](NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-])c1ccccc1 ZINC000826044062 602323142 /nfs/dbraw/zinc/32/31/42/602323142.db2.gz BHRJJFCCIKXWEV-SJCJKPOMSA-N -2 0 383.379 2.909 20 0 GFADRL O=C([O-])NCc1cccc([N-]S(=O)(=O)c2c(Cl)nc3sccn32)c1 ZINC000740678972 602656153 /nfs/dbraw/zinc/65/61/53/602656153.db2.gz GVZGDMLNVQYBGU-UHFFFAOYSA-N -2 0 386.842 2.618 20 0 GFADRL O=C([O-])N[C@@H](CCC(=O)[N-]S(=O)(=O)c1ccccc1Cl)c1ccccc1 ZINC000740537730 602670177 /nfs/dbraw/zinc/67/01/77/602670177.db2.gz AQJYIUHLTHHYTJ-AWEZNQCLSA-N -2 0 396.852 2.934 20 0 GFADRL O=C([O-])N1CCC[C@@H]1CNS(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000740520398 603086145 /nfs/dbraw/zinc/08/61/45/603086145.db2.gz KQXOOROVNNUHDM-MRVPVSSYSA-N -2 0 386.779 2.780 20 0 GFADRL COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc([C@H](C)NC(=O)[O-])cc2)c1 ZINC000829499917 603401552 /nfs/dbraw/zinc/40/15/52/603401552.db2.gz DEVYLKHWOYNQAI-NSHDSACASA-N -2 0 380.422 2.833 20 0 GFADRL O=C([O-])N1CCc2c1cccc2[N-]S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000832079072 604015807 /nfs/dbraw/zinc/01/58/07/604015807.db2.gz CTCMECQJBXBARF-UHFFFAOYSA-N -2 0 392.824 2.829 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)[C@H](NC(=O)[O-])c2ccccc2)s1 ZINC000830415413 604211081 /nfs/dbraw/zinc/21/10/81/604211081.db2.gz RDXGIRKEDFUSFU-RISCZKNCSA-N -2 0 382.463 2.506 20 0 GFADRL C[C@H](CC(=O)[N-]S(=O)(=O)/C=C/c1ccccc1)C1CCN(C(=O)[O-])CC1 ZINC000824679706 604383390 /nfs/dbraw/zinc/38/33/90/604383390.db2.gz MZPROOSGGSXMOY-BRADTZPFSA-N -2 0 380.466 2.520 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@H](C)[C@H]2CCCN(C(=O)[O-])C2)c(C)c1 ZINC000830414321 604394993 /nfs/dbraw/zinc/39/49/93/604394993.db2.gz JAOYZUQAEWJUHJ-ZFWWWQNUSA-N -2 0 382.482 2.525 20 0 GFADRL Cc1c(C(F)(F)F)cccc1S(=O)(=O)[N-]C(=O)[C@@H](CC(C)C)NC(=O)[O-] ZINC000832853478 604397182 /nfs/dbraw/zinc/39/71/82/604397182.db2.gz HXZJYVKSJWDRQU-LLVKDONJSA-N -2 0 396.387 2.501 20 0 GFADRL O=C([O-])CCc1csc([N-]S(=O)(=O)c2cccc(Br)c2)n1 ZINC000833244269 604626257 /nfs/dbraw/zinc/62/62/57/604626257.db2.gz XZZHXQUMUQTCRQ-UHFFFAOYSA-N -2 0 391.268 2.724 20 0 GFADRL O=C([O-])CCc1csc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)n1 ZINC000833244294 604626300 /nfs/dbraw/zinc/62/63/00/604626300.db2.gz ZCRMPUQIXNQGNY-UHFFFAOYSA-N -2 0 396.368 2.860 20 0 GFADRL CCC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C(=O)OC)c1 ZINC000828580173 604806680 /nfs/dbraw/zinc/80/66/80/604806680.db2.gz AWSDAHMOJRJOLS-UHFFFAOYSA-N -2 0 397.430 2.626 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)c(OC)c1C(=O)[O-] ZINC000833734773 604859681 /nfs/dbraw/zinc/85/96/81/604859681.db2.gz VPSMANXSUYZFME-UHFFFAOYSA-N -2 0 389.788 2.995 20 0 GFADRL CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2nn(-c3ccc(F)cc3)cc2[O-])C1 ZINC000833417347 605002422 /nfs/dbraw/zinc/00/24/22/605002422.db2.gz QIJUGKPAFHEPAI-GFCCVEGCSA-N -2 0 375.400 2.680 20 0 GFADRL C[C@H](CC(=O)[N-]S(=O)(=O)[C@H](C)c1ccccc1)C1CCN(C(=O)[O-])CC1 ZINC000824680262 605080194 /nfs/dbraw/zinc/08/01/94/605080194.db2.gz SRFNBWCFXFFKFA-ZIAGYGMSSA-N -2 0 382.482 2.610 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)NCC2(C3CC3)CC2)c(F)cc1Br ZINC000833780282 605083679 /nfs/dbraw/zinc/08/36/79/605083679.db2.gz QSLZHTFUSGUYMI-UHFFFAOYSA-N -2 0 392.246 2.755 20 0 GFADRL CC(C)(C)Cc1cc([N-]S(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)n[nH]1 ZINC000833429911 605134377 /nfs/dbraw/zinc/13/43/77/605134377.db2.gz AGCDJAJLTNAAQE-UHFFFAOYSA-N -2 0 377.466 2.915 20 0 GFADRL Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(CN(C)C(=O)[O-])cc2)cc1C(=O)[O-] ZINC000833744666 605169573 /nfs/dbraw/zinc/16/95/73/605169573.db2.gz LWSFMJKVLOYWCW-UHFFFAOYSA-N -3 0 396.396 2.743 20 0 GFADRL CC(C)(c1nnc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)s1)c1ccccc1 ZINC000833462520 605183005 /nfs/dbraw/zinc/18/30/05/605183005.db2.gz CXIDFQINXQSXOG-UHFFFAOYSA-N -2 0 393.446 2.956 20 0 GFADRL COc1cc(OC)cc(S(=O)(=O)[N-]c2ccccc2CN(C)C(=O)[O-])c1 ZINC000829216769 605236529 /nfs/dbraw/zinc/23/65/29/605236529.db2.gz CUPZTFLGEGOMEM-UHFFFAOYSA-N -2 0 380.422 2.614 20 0 GFADRL CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])cc2)c1C ZINC000827338717 605454967 /nfs/dbraw/zinc/45/49/67/605454967.db2.gz MZQYYGXQJJYIGF-UHFFFAOYSA-N -2 0 381.410 2.699 20 0 GFADRL CS(C)(=O)=Nc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1 ZINC000821111714 660316013 /nfs/dbraw/zinc/31/60/13/660316013.db2.gz RJZHABKKOFXVBB-UHFFFAOYSA-N -2 0 386.426 2.684 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2cccc(NC(=O)C3CC3)c2)sc1C(=O)[O-] ZINC000055583292 654778341 /nfs/dbraw/zinc/77/83/41/654778341.db2.gz YTZRGURKLRMZBZ-UHFFFAOYSA-N -2 0 380.447 2.904 20 0 GFADRL COCCCOc1cccc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c1 ZINC000267526202 654933102 /nfs/dbraw/zinc/93/31/02/654933102.db2.gz PSKMUAGVEQUYKW-UHFFFAOYSA-N -2 0 385.463 2.971 20 0 GFADRL CC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000109766319 655151828 /nfs/dbraw/zinc/15/18/28/655151828.db2.gz FDRJJJWLHZOVGY-UHFFFAOYSA-N -2 0 383.809 2.807 20 0 GFADRL CCCN(CC(=O)[O-])C(=O)c1cc(Br)c([O-])c(Br)c1 ZINC000263384128 655451434 /nfs/dbraw/zinc/45/14/34/655451434.db2.gz CIRJMSZYYSIAGS-UHFFFAOYSA-N -2 0 395.047 2.854 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCOC3)cc2)sc1C(=O)[O-] ZINC000265724844 655489318 /nfs/dbraw/zinc/48/93/18/655489318.db2.gz ONAPMJRZAWIESB-CYBMUJFWSA-N -2 0 383.447 2.723 20 0 GFADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc([S@](=O)C(F)(F)F)cc1 ZINC000751215950 655823105 /nfs/dbraw/zinc/82/31/05/655823105.db2.gz ZEKLTDNTMKVKHB-DEOSSOPVSA-N -2 0 397.352 2.714 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)c1Cl ZINC000753778858 655858461 /nfs/dbraw/zinc/85/84/61/655858461.db2.gz IGTQCPWOBLJTBO-UHFFFAOYSA-N -3 0 383.809 2.775 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2ccsc2)c([N-]S(=O)(=O)C(F)F)c1 ZINC000761474575 656016426 /nfs/dbraw/zinc/01/64/26/656016426.db2.gz GEAUYDYZPVQZBG-UHFFFAOYSA-N -2 0 398.434 2.522 20 0 GFADRL COc1cc(S(=O)(=O)[N-]c2cc(F)c(C(=O)[O-])c(F)c2)cnc1Cl ZINC000767467164 656205146 /nfs/dbraw/zinc/20/51/46/656205146.db2.gz PLWNTIOUZYNNDB-UHFFFAOYSA-N -2 0 378.740 2.521 20 0 GFADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000790587498 658000530 /nfs/dbraw/zinc/00/05/30/658000530.db2.gz UJINBDWEPANUTJ-HZMBPMFUSA-N -2 0 375.368 2.706 20 0 GFADRL CC(C)c1nn(C)cc1[N-]S(=O)(=O)c1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC000794883507 658631743 /nfs/dbraw/zinc/63/17/43/658631743.db2.gz JFPMBWHNLGZEEN-UHFFFAOYSA-N -2 0 375.809 2.835 20 0 GFADRL O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1ccc(Cl)cc1F ZINC000852734788 661872745 /nfs/dbraw/zinc/87/27/45/661872745.db2.gz DFFAMRDXRHBLOH-NEPJUHHUSA-N -2 0 382.741 2.575 20 0 GFADRL O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1ccc(Cl)c(F)c1 ZINC000852738525 661873160 /nfs/dbraw/zinc/87/31/60/661873160.db2.gz ZWIUCFMFCGYTJV-NEPJUHHUSA-N -2 0 382.741 2.575 20 0 GFADRL O=C([O-])C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl)c1ccccc1 ZINC000921206146 664539165 /nfs/dbraw/zinc/53/91/65/664539165.db2.gz VHLMWSVJUWBHIM-ZDUSSCGKSA-N -2 0 383.809 2.533 20 0 GFADRL CC(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)[O-])s1 ZINC000013087938 551108509 /nfs/dbraw/zinc/10/85/09/551108509.db2.gz PROJDYXQMMQIKB-UHFFFAOYSA-N -2 0 388.854 2.537 20 0 GFADRL COc1cc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc(OC)c1OC ZINC000045774657 551148110 /nfs/dbraw/zinc/14/81/10/551148110.db2.gz PZZPCHYYUNSAAS-UHFFFAOYSA-N -2 0 387.435 2.581 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2cc(CC(=O)[O-])ccc2OC)cc1Cl ZINC000054294838 551168847 /nfs/dbraw/zinc/16/88/47/551168847.db2.gz FNGYTJRXHGLGJQ-UHFFFAOYSA-N -2 0 385.825 2.785 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2cnn(CC(F)(F)F)c2)cc(C(=O)[O-])c1C ZINC000121647600 551238853 /nfs/dbraw/zinc/23/88/53/551238853.db2.gz DIIVAXSQNBBKIQ-UHFFFAOYSA-N -2 0 377.344 2.561 20 0 GFADRL Cc1ccc(NC(=O)C2CC2)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000298834913 563368429 /nfs/dbraw/zinc/36/84/29/563368429.db2.gz BUXAHEKTUXZRQQ-UHFFFAOYSA-N -2 0 380.447 2.904 20 0 GFADRL C[C@H](Sc1ccc([N-]S(=O)(=O)c2cn3c(n2)CCCC3)cc1)C(=O)[O-] ZINC000375588064 563411092 /nfs/dbraw/zinc/41/10/92/563411092.db2.gz OYHMGFDPFUWPJM-NSHDSACASA-N -2 0 381.479 2.585 20 0 GFADRL COc1cc(F)c(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])cc1OC ZINC000327458913 563458601 /nfs/dbraw/zinc/45/86/01/563458601.db2.gz WGMYMLWZIJXPQC-UHFFFAOYSA-N -2 0 389.788 2.995 20 0 GFADRL C[C@H](Sc1ccc([N-]S(=O)(=O)c2cnn(CC(F)F)c2)cc1)C(=O)[O-] ZINC000285133293 563504377 /nfs/dbraw/zinc/50/43/77/563504377.db2.gz NTNVFQOEFRRYBG-VIFPVBQESA-N -2 0 391.421 2.514 20 0 GFADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2F)c1O ZINC000388910695 563521309 /nfs/dbraw/zinc/52/13/09/563521309.db2.gz UDZJGQAIYIAOKI-UHFFFAOYSA-N -2 0 390.186 2.793 20 0 GFADRL C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cccc(C(=O)[O-])c3O)cc(Cl)c2O1 ZINC000436994401 563687347 /nfs/dbraw/zinc/68/73/47/563687347.db2.gz MQBWLDBOUQIPAF-MRVPVSSYSA-N -2 0 383.809 2.868 20 0 GFADRL O=C([O-])c1ccc(O)c(S(=O)(=O)[N-]c2ccc(F)cc2OC(F)F)c1 ZINC000436993504 563687552 /nfs/dbraw/zinc/68/75/52/563687552.db2.gz CUNDAFLFYNZJSE-UHFFFAOYSA-N -2 0 377.296 2.632 20 0 GFADRL Cn1ncc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)c1C(=O)[O-] ZINC000539194396 564213102 /nfs/dbraw/zinc/21/31/02/564213102.db2.gz SIIJXCSIWVANDI-UHFFFAOYSA-N -2 0 383.735 2.591 20 0 GFADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C)cc(C(=O)[O-])c2)c(Cl)c1 ZINC000507595976 564234122 /nfs/dbraw/zinc/23/41/22/564234122.db2.gz MOTSLFARLPWOAG-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]c1cc(C)cc(C(=O)[O-])c1 ZINC000507649842 564237083 /nfs/dbraw/zinc/23/70/83/564237083.db2.gz NGSSJIKPJVUFDP-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(C)c1C(=O)[O-] ZINC000564697631 564245191 /nfs/dbraw/zinc/24/51/91/564245191.db2.gz PGRKVRBLVCPEKD-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc([C@H](C)CC(=O)[O-])cc2)cs1 ZINC000542236510 564306119 /nfs/dbraw/zinc/30/61/19/564306119.db2.gz HZRAYCRCLYCEJP-SNVBAGLBSA-N -2 0 383.447 2.914 20 0 GFADRL COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(F)c(C(=O)[O-])c1 ZINC000509644182 564306700 /nfs/dbraw/zinc/30/67/00/564306700.db2.gz SVFMOAWRMXSZMA-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)c(Cl)c1 ZINC000509661886 564307889 /nfs/dbraw/zinc/30/78/89/564307889.db2.gz VGTUYDORMMUDDL-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL Cc1noc2ncc([N-]S(=O)(=O)c3cc(C(=O)[O-])cc(Cl)c3C)cc12 ZINC000476425548 564339068 /nfs/dbraw/zinc/33/90/68/564339068.db2.gz SBAXNFVNHKVIJR-UHFFFAOYSA-N -2 0 381.797 2.992 20 0 GFADRL Cc1cc(C)c(S(=O)(=O)[N-]c2cn(C)nc2C(F)(F)F)cc1C(=O)[O-] ZINC000544687232 564394326 /nfs/dbraw/zinc/39/43/26/564394326.db2.gz SNKYLXYDLPGMNY-UHFFFAOYSA-N -2 0 377.344 2.555 20 0 GFADRL CCO[C@H]1C[C@@]([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)(C(=O)[O-])C1(C)C ZINC000568000707 564399677 /nfs/dbraw/zinc/39/96/77/564399677.db2.gz AILURLOQQTUNDT-ZUZCIYMTSA-N -2 0 397.827 2.555 20 0 GFADRL Cc1c(Cl)cc(S(=O)(=O)Nc2cccc(CC(=O)[O-])c2)cc1C(=O)[O-] ZINC000479249890 564432941 /nfs/dbraw/zinc/43/29/41/564432941.db2.gz PHDMPPIQYPTKGA-UHFFFAOYSA-N -2 0 383.809 2.775 20 0 GFADRL COC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(Cl)c(C)c(C(=O)[O-])c1 ZINC000479272949 564434332 /nfs/dbraw/zinc/43/43/32/564434332.db2.gz AFCHFBAKFXXCRB-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL Cc1nn(C)c(S(=O)(=O)[N-]c2c(C)ccc(F)c2C(=O)[O-])c1C(F)F ZINC000570025798 564487620 /nfs/dbraw/zinc/48/76/20/564487620.db2.gz LGCLDDRUHYMVBW-UHFFFAOYSA-N -2 0 377.344 2.613 20 0 GFADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-]c1cc(Br)ccc1C(=O)[O-] ZINC000547907657 564519166 /nfs/dbraw/zinc/51/91/66/564519166.db2.gz AIKBQHNGQBFNCO-YFKPBYRVSA-N -2 0 376.150 2.840 20 0 GFADRL CC(C)=CCSC[C@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)C(=O)[O-] ZINC000548265658 564545355 /nfs/dbraw/zinc/54/53/55/564545355.db2.gz HDHJIDOMDBYQFX-LBPRGKRZSA-N -2 0 383.413 2.535 20 0 GFADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C(=O)[O-])cc1Cl ZINC000484527970 564590394 /nfs/dbraw/zinc/59/03/94/564590394.db2.gz IZJICKDMIBBQAA-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2SC)cs1 ZINC000484571241 564591056 /nfs/dbraw/zinc/59/10/56/564591056.db2.gz FIOYCHQRSSVBSY-UHFFFAOYSA-N -2 0 387.460 2.756 20 0 GFADRL Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000572958471 564616973 /nfs/dbraw/zinc/61/69/73/564616973.db2.gz DWCXALMOWUAFQB-UHFFFAOYSA-N -2 0 377.344 2.555 20 0 GFADRL O=C([O-])C[C@H](CC[N-]S(=O)(=O)c1c(F)cccc1Cl)C(F)(F)F ZINC000551910979 564668068 /nfs/dbraw/zinc/66/80/68/564668068.db2.gz RAHIEWWLLHTNNM-ZETCQYMHSA-N -2 0 377.743 2.801 20 0 GFADRL O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2cc(F)ccc2OC(F)F)c1 ZINC000574565425 564679044 /nfs/dbraw/zinc/67/90/44/564679044.db2.gz WQGACFRDCJUUFF-UHFFFAOYSA-N -2 0 375.324 2.855 20 0 GFADRL C[C@@H]1CCN(C(=O)N=c2nc(-c3ccccc3Cl)[n-]s2)C[C@@H]1C(=O)[O-] ZINC000575749458 564703178 /nfs/dbraw/zinc/70/31/78/564703178.db2.gz SQWWBHMVFKJWRN-KOLCDFICSA-N -2 0 380.857 2.855 20 0 GFADRL CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000489729017 564750871 /nfs/dbraw/zinc/75/08/71/564750871.db2.gz QGXPJHGLXBFAEQ-UHFFFAOYSA-N -2 0 382.825 2.589 20 0 GFADRL Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000558861672 564916669 /nfs/dbraw/zinc/91/66/69/564916669.db2.gz ALMWRSPHEKUOKC-UHFFFAOYSA-N -2 0 377.344 2.561 20 0 GFADRL Nc1c([N-]S(=O)(=O)c2ccccc2F)cc(Br)cc1C(=O)[O-] ZINC000559247400 564927482 /nfs/dbraw/zinc/92/74/82/564927482.db2.gz ORJLUFWXPDAIRW-UHFFFAOYSA-N -2 0 389.202 2.669 20 0 GFADRL Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cc(Cl)cnc1N ZINC000533166383 564955887 /nfs/dbraw/zinc/95/58/87/564955887.db2.gz DKFRCGXVNWRPOY-UHFFFAOYSA-N -2 0 376.221 2.778 20 0 GFADRL CC(C)C[C@H]([N-]S(=O)(=O)c1cc(F)c(Br)cc1F)C(=O)[O-] ZINC000534799285 564996689 /nfs/dbraw/zinc/99/66/89/564996689.db2.gz HCVACBDPONAJPQ-JTQLQIEISA-N -2 0 386.214 2.505 20 0 GFADRL COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(Cl)c1 ZINC000535402520 565012415 /nfs/dbraw/zinc/01/24/15/565012415.db2.gz JRSHYSLPBRBJSV-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccnc1OCC(F)F ZINC000535744351 565019416 /nfs/dbraw/zinc/01/94/16/565019416.db2.gz GFPCZADRNNIEDS-UHFFFAOYSA-N -2 0 378.378 2.594 20 0 GFADRL CCOCC(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1O ZINC000614234446 565102375 /nfs/dbraw/zinc/10/23/75/565102375.db2.gz BBAAMKYRWSOYKC-UHFFFAOYSA-N -2 0 384.841 2.821 20 0 GFADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1OC ZINC000677298582 565968009 /nfs/dbraw/zinc/96/80/09/565968009.db2.gz PEMGTOSIPMRPBS-UHFFFAOYSA-N -2 0 389.788 2.995 20 0 GFADRL CC(C)[C@@H](CNC(=O)N=c1[n-]nc(-c2ccc(Cl)cc2F)s1)C(=O)[O-] ZINC000653544646 565972010 /nfs/dbraw/zinc/97/20/10/565972010.db2.gz GATBEZLGZHMBET-SNVBAGLBSA-N -2 0 386.836 2.898 20 0 GFADRL CCOC(=O)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)ccc1Cl ZINC000610421052 566080767 /nfs/dbraw/zinc/08/07/67/566080767.db2.gz XHFOAJNNJFBFJQ-UHFFFAOYSA-N -2 0 387.797 2.917 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@H](c1ccc(C)o1)C(F)(F)F ZINC000656180840 566112082 /nfs/dbraw/zinc/11/20/82/566112082.db2.gz MOOYDUBPMOPUER-SNVBAGLBSA-N -2 0 399.368 2.938 20 0 GFADRL COc1cc(F)c(S(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)c(F)c1 ZINC000681574010 566113209 /nfs/dbraw/zinc/11/32/09/566113209.db2.gz HZVYWYOWPHYMIV-UHFFFAOYSA-N -2 0 379.287 2.751 20 0 GFADRL COc1cc(C(F)(F)F)ncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000682871720 566174138 /nfs/dbraw/zinc/17/41/38/566174138.db2.gz FZRQXYGLOYCWES-UHFFFAOYSA-N -2 0 380.300 2.509 20 0 GFADRL C/C(=C/C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)c1ccccc1Cl ZINC000736120777 599729388 /nfs/dbraw/zinc/72/93/88/599729388.db2.gz KWUBMKLDLVREHU-LUAWRHEFSA-N -2 0 379.821 2.947 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c(OC)c1OC ZINC000589939825 599747939 /nfs/dbraw/zinc/74/79/39/599747939.db2.gz VUGANMYIEPNORC-UHFFFAOYSA-N -2 0 381.406 2.520 20 0 GFADRL CN(C)C(=O)Sc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000060381071 599752540 /nfs/dbraw/zinc/75/25/40/599752540.db2.gz VPYCPNBDPGLULB-UHFFFAOYSA-N -2 0 380.447 2.959 20 0 GFADRL Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc2c(cc1Cl)NC(=O)C2 ZINC000326667668 599801404 /nfs/dbraw/zinc/80/14/04/599801404.db2.gz HVIKXPCQVRDLTM-UHFFFAOYSA-N -2 0 380.809 2.642 20 0 GFADRL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1c(C)cc(C)cc1C ZINC000737716968 599814471 /nfs/dbraw/zinc/81/44/71/599814471.db2.gz FJEXICNLOHNSNT-UHFFFAOYSA-N -2 0 383.447 2.959 20 0 GFADRL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)c(Cl)c1 ZINC000737719182 599815055 /nfs/dbraw/zinc/81/50/55/599815055.db2.gz WLDFYKVPFCFWFC-UHFFFAOYSA-N -2 0 389.838 2.996 20 0 GFADRL O=C([O-])c1sccc1[N-]S(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000740291072 599927145 /nfs/dbraw/zinc/92/71/45/599927145.db2.gz YYBGNZMWASKVES-UHFFFAOYSA-N -2 0 375.811 2.672 20 0 GFADRL CC1=C(C(=O)[O-])[C@H](c2cccc(O[C@H](C)C(=O)[O-])c2)NC(=O)N1CC(C)C ZINC000736750998 599984369 /nfs/dbraw/zinc/98/43/69/599984369.db2.gz NHZOMXHVLCYULL-WBMJQRKESA-N -2 0 376.409 2.619 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2nc3cc4c(cc3s2)OCCO4)s1 ZINC000740187149 600054743 /nfs/dbraw/zinc/05/47/43/600054743.db2.gz XWTFJGDKZBGVJW-UHFFFAOYSA-N -2 0 398.443 2.628 20 0 GFADRL O=C([O-])CCOc1ccc(S(=O)(=O)[N-]c2ccnn2C2CCCC2)cc1 ZINC000739742342 600054756 /nfs/dbraw/zinc/05/47/56/600054756.db2.gz JVECEXSCYVDHEF-UHFFFAOYSA-N -2 0 379.438 2.653 20 0 GFADRL O=C([O-])CCc1ccc(S(=O)(=O)Nc2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000739767050 600101756 /nfs/dbraw/zinc/10/17/56/600101756.db2.gz QZXGXNOMRLRSNT-UHFFFAOYSA-N -2 0 382.369 2.734 20 0 GFADRL COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(Cl)cn2)c1OC ZINC000737873851 600102382 /nfs/dbraw/zinc/10/23/82/600102382.db2.gz SKHRGIDOIQGQLB-ZZXKWVIFSA-N -2 0 398.824 2.651 20 0 GFADRL CC(C)COc1ccc(CC(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])cc1 ZINC000736445861 600121850 /nfs/dbraw/zinc/12/18/50/600121850.db2.gz OOYHXQBPSWNTCP-UHFFFAOYSA-N -2 0 397.474 2.529 20 0 GFADRL CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cc1OC ZINC000737203781 600230638 /nfs/dbraw/zinc/23/06/38/600230638.db2.gz QKSDJQJISBOCDW-UHFFFAOYSA-N -2 0 387.360 2.871 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(Cn3cccn3)c2)c(F)cc1F ZINC000740089257 600232669 /nfs/dbraw/zinc/23/26/69/600232669.db2.gz CHBVYEXXYLJVGJ-UHFFFAOYSA-N -2 0 393.371 2.709 20 0 GFADRL COc1ccccc1-c1cccc([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])c1 ZINC000738113986 600236416 /nfs/dbraw/zinc/23/64/16/600236416.db2.gz PKUQRHXNZYDQBO-UHFFFAOYSA-N -2 0 387.417 2.893 20 0 GFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)c(OC(F)F)c1 ZINC000740154930 600237751 /nfs/dbraw/zinc/23/77/51/600237751.db2.gz JGYNXLCLCOQVMJ-UHFFFAOYSA-N -2 0 385.344 2.722 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)n(Cc2ccccc2)n1 ZINC000738463289 600244634 /nfs/dbraw/zinc/24/46/34/600244634.db2.gz KYXXZNWJZOCJQM-UHFFFAOYSA-N -2 0 385.445 2.668 20 0 GFADRL CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)cc1 ZINC000738203014 600362226 /nfs/dbraw/zinc/36/22/26/600362226.db2.gz MHJAVYRYOLJOPI-HNNXBMFYSA-N -2 0 399.428 2.698 20 0 GFADRL Cc1cc(F)ccc1-c1ccc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])cc1F ZINC000738396800 600377487 /nfs/dbraw/zinc/37/74/87/600377487.db2.gz KRQJTJLSJNUDAF-UHFFFAOYSA-N -2 0 397.399 2.865 20 0 GFADRL CC(=O)N(C)c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000735646692 600483369 /nfs/dbraw/zinc/48/33/69/600483369.db2.gz HQAYJHGLOBKUFZ-UHFFFAOYSA-N -2 0 382.825 2.822 20 0 GFADRL COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1cnccc1C(=O)[O-] ZINC000737723810 600512497 /nfs/dbraw/zinc/51/24/97/600512497.db2.gz OMSJNUOGQPLFDO-UHFFFAOYSA-N -2 0 392.414 2.582 20 0 GFADRL CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)N(CC(=O)[O-])c1ccccc1 ZINC000736512691 600635343 /nfs/dbraw/zinc/63/53/43/600635343.db2.gz MCIRVZRMXOGZBN-UHFFFAOYSA-N -2 0 377.418 2.788 20 0 GFADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2cccc(COC3CCCCC3)c2)cn1 ZINC000833273884 600678189 /nfs/dbraw/zinc/67/81/89/600678189.db2.gz JFEBNLFIKJKKLE-UHFFFAOYSA-N -2 0 393.465 2.618 20 0 GFADRL O=C([O-])c1ccc(Cl)cc1S(=O)(=O)Nc1cc(F)cc(C(=O)[O-])c1F ZINC000740135565 600678874 /nfs/dbraw/zinc/67/88/74/600678874.db2.gz OVSROQHSAJDZKH-UHFFFAOYSA-N -2 0 391.735 2.815 20 0 GFADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2cccc(Cl)c2SC(F)F)cn1 ZINC000833274286 600680746 /nfs/dbraw/zinc/68/07/46/600680746.db2.gz XDKBFHWJJVABAT-UHFFFAOYSA-N -2 0 397.812 2.737 20 0 GFADRL CC(=O)N(Cc1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1)C1CC1 ZINC000265475837 600683472 /nfs/dbraw/zinc/68/34/72/600683472.db2.gz ZRWHXOWGENYQMK-UHFFFAOYSA-N -2 0 394.474 2.758 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2c3nsnc3ccc2Cl)s1 ZINC000315708595 600686308 /nfs/dbraw/zinc/68/63/08/600686308.db2.gz HDOXOYBUCGTKOW-UHFFFAOYSA-N -2 0 375.840 2.905 20 0 GFADRL Cc1ncsc1[C@@H]1NC(=O)N(Cc2ccc(C(=O)[O-])cc2)C(C)=C1C(=O)[O-] ZINC000828135667 600783205 /nfs/dbraw/zinc/78/32/05/600783205.db2.gz PUXVPKULALODQJ-CQSZACIVSA-N -2 0 387.417 2.775 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]C(=O)c2cccc(C(=O)[O-])c2)c(Br)c1 ZINC000832954376 600802750 /nfs/dbraw/zinc/80/27/50/600802750.db2.gz ABJLGODLPGZLLA-UHFFFAOYSA-N -2 0 398.234 2.574 20 0 GFADRL COC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000393134652 600886514 /nfs/dbraw/zinc/88/65/14/600886514.db2.gz VBTZSODSEONMSW-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL Cc1cc(F)cc(C(=O)[O-])c1NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000738397605 600891980 /nfs/dbraw/zinc/89/19/80/600891980.db2.gz UKOUMNBMRIEYTQ-UHFFFAOYSA-N -2 0 387.772 2.985 20 0 GFADRL COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2cc(OC)ccc2C(=O)[O-])c1 ZINC000525013083 600892974 /nfs/dbraw/zinc/89/29/74/600892974.db2.gz PDTHTLVTEBZGBR-UHFFFAOYSA-N -2 0 399.808 2.634 20 0 GFADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2cc(C)c(OC)c(C)c2)c1OC ZINC000484969994 600897730 /nfs/dbraw/zinc/89/77/30/600897730.db2.gz VZYUCSZZXMTECY-UHFFFAOYSA-N -2 0 395.433 2.828 20 0 GFADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000568699762 600900004 /nfs/dbraw/zinc/90/00/04/600900004.db2.gz HGJVJDBRDDHYPL-UHFFFAOYSA-N -2 0 377.418 2.856 20 0 GFADRL CCCOc1ccc(CCC(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000829532657 600943387 /nfs/dbraw/zinc/94/33/87/600943387.db2.gz YEYWLAXFFQVTKX-UHFFFAOYSA-N -2 0 391.445 2.611 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(-c3cn4ccccc4n3)cc2)c[nH]1 ZINC000833303936 600983113 /nfs/dbraw/zinc/98/31/13/600983113.db2.gz ANSHWJXFGIOGHE-UHFFFAOYSA-N -2 0 382.401 2.828 20 0 GFADRL COCc1ccc([C@@H]2NC(=O)N(CCCCC(=O)[O-])C(C)=C2C(=O)[O-])cc1 ZINC000737834744 601046302 /nfs/dbraw/zinc/04/63/02/601046302.db2.gz YOERCUJJFCXVLL-KRWDZBQOSA-N -2 0 376.409 2.513 20 0 GFADRL Cc1ccc([N-]S(=O)(=O)c2cnn(-c3ccccc3F)c2)c(C(=O)[O-])c1 ZINC000460820276 601046820 /nfs/dbraw/zinc/04/68/20/601046820.db2.gz NGOLPBGKVHIYEP-UHFFFAOYSA-N -2 0 375.381 2.819 20 0 GFADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)cc(C)c1O ZINC000737689050 601116448 /nfs/dbraw/zinc/11/64/48/601116448.db2.gz RZSWTEIKRIEYHC-UHFFFAOYSA-N -2 0 399.808 2.640 20 0 GFADRL O=C([O-])c1sccc1S(=O)(=O)[N-]c1ccc([S@](=O)C(F)(F)F)cc1 ZINC000833347910 601127634 /nfs/dbraw/zinc/12/76/34/601127634.db2.gz HUGJLAFXXPXSIN-QHCPKHFHSA-N -2 0 399.393 2.875 20 0 GFADRL CC[C@@H](C)Oc1ccc(C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])cc1 ZINC000828764812 601141410 /nfs/dbraw/zinc/14/14/10/601141410.db2.gz NVWXOWAIVYZUFI-SNVBAGLBSA-N -2 0 383.447 2.742 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cccc(-c2cc[nH]n2)c1 ZINC000831945468 601150893 /nfs/dbraw/zinc/15/08/93/601150893.db2.gz HUJYNKZSKLWCSN-UHFFFAOYSA-N -2 0 379.419 2.646 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc2c(c1)CCCN2C ZINC000831944892 601200542 /nfs/dbraw/zinc/20/05/42/601200542.db2.gz ATOSWAAZZBSKRB-UHFFFAOYSA-N -2 0 382.463 2.638 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc(N2CCCC2)cc1 ZINC000831946695 601201002 /nfs/dbraw/zinc/20/10/02/601201002.db2.gz YDEAHWZGUUZAJU-UHFFFAOYSA-N -2 0 382.463 2.856 20 0 GFADRL Cc1oc(S(=O)(=O)N[C@H](c2ccc(F)cc2)[C@@H]2CCCO2)cc1C(=O)[O-] ZINC000580548308 601217573 /nfs/dbraw/zinc/21/75/73/601217573.db2.gz NPDIZHMEKBHQGX-GOEBONIOSA-N -2 0 383.397 2.624 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cc(Cl)cc(C(=O)[O-])c2)c1F ZINC000832868360 601224605 /nfs/dbraw/zinc/22/46/05/601224605.db2.gz QUBIZPPSBUIAGU-UHFFFAOYSA-N -3 0 387.772 2.985 20 0 GFADRL CCOc1cc2c(cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1)O[C@H](C)C2 ZINC000830053864 601231050 /nfs/dbraw/zinc/23/10/50/601231050.db2.gz ACRSHUFGCKMKHS-SECBINFHSA-N -2 0 381.406 2.809 20 0 GFADRL Cc1cc(C)n(-c2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(C)o3)c2)n1 ZINC000832880538 601232100 /nfs/dbraw/zinc/23/21/00/601232100.db2.gz SMJOADWRYHNOAT-UHFFFAOYSA-N -2 0 375.406 2.890 20 0 GFADRL CCOC(=O)CCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)cc1 ZINC000829847600 601233697 /nfs/dbraw/zinc/23/36/97/601233697.db2.gz KXICGIRMAWBRHM-UHFFFAOYSA-N -2 0 381.406 2.583 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnc(-c2ccccc2)nc1 ZINC000012649042 601319406 /nfs/dbraw/zinc/31/94/06/601319406.db2.gz ZURXUFGUSVMPPD-UHFFFAOYSA-N -2 0 385.401 2.651 20 0 GFADRL COC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000831247560 601325062 /nfs/dbraw/zinc/32/50/62/601325062.db2.gz CDXUPJVFUROSGL-POHAHGRESA-N -2 0 375.402 2.680 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)c(NC(C)=O)c1C ZINC000055674347 601325360 /nfs/dbraw/zinc/32/53/60/601325360.db2.gz DOWLUPOZTDKFNB-UHFFFAOYSA-N -2 0 392.433 2.769 20 0 GFADRL Cc1cccc(Cn2nccc2[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1 ZINC000832968702 601329608 /nfs/dbraw/zinc/32/96/08/601329608.db2.gz DMOVWQRYZIJBMI-UHFFFAOYSA-N -2 0 389.408 2.878 20 0 GFADRL CCOc1ccc(OC)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1OC ZINC000517921441 601329781 /nfs/dbraw/zinc/32/97/81/601329781.db2.gz MCAQBGBVPOIVCG-UHFFFAOYSA-N -2 0 381.406 2.602 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc(Br)n2)c1C ZINC000832866861 601360385 /nfs/dbraw/zinc/36/03/85/601360385.db2.gz XSFBZZNGECVFPT-UHFFFAOYSA-N -2 0 385.239 2.960 20 0 GFADRL CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])c1C ZINC000825917559 601383594 /nfs/dbraw/zinc/38/35/94/601383594.db2.gz OMNDWNQNMBJEKV-UHFFFAOYSA-N -2 0 383.813 2.501 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)ncc1Br ZINC000317529339 601395916 /nfs/dbraw/zinc/39/59/16/601395916.db2.gz JXWSVEPOGIUILY-UHFFFAOYSA-N -2 0 385.239 2.960 20 0 GFADRL CC[C@@](C)(CC(=O)[O-])NC(=O)c1ccc([N-]S(=O)(=O)C(F)(F)F)c(C)c1 ZINC000767051327 601472407 /nfs/dbraw/zinc/47/24/07/601472407.db2.gz PQVFSBPVPITPQZ-AWEZNQCLSA-N -2 0 396.387 2.630 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)CCCc2ccc(F)c(F)c2)s1 ZINC000833098114 601598641 /nfs/dbraw/zinc/59/86/41/601598641.db2.gz HXYJQPRKZWHMMH-UHFFFAOYSA-N -2 0 389.401 2.552 20 0 GFADRL Cc1cc(C)c(-c2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])n(C)c3)[nH]n2)cc1C ZINC000444416595 601603984 /nfs/dbraw/zinc/60/39/84/601603984.db2.gz BNHDWYROLJTGLS-UHFFFAOYSA-N -2 0 388.449 2.839 20 0 GFADRL COCCc1nc2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])s3)ccc2o1 ZINC000831795946 601795112 /nfs/dbraw/zinc/79/51/12/601795112.db2.gz UNNYUOLMIIHMNX-UHFFFAOYSA-N -2 0 382.419 2.577 20 0 GFADRL Cn1ccnc1Sc1ccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC000833059402 601832550 /nfs/dbraw/zinc/83/25/50/601832550.db2.gz ZSUYPVSNOHVHMU-UHFFFAOYSA-N -2 0 396.475 2.527 20 0 GFADRL CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])c1 ZINC000828570689 601835512 /nfs/dbraw/zinc/83/55/12/601835512.db2.gz RENSMHPRAHAMAS-UHFFFAOYSA-N -2 0 397.840 2.891 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccn(Cc3ccccc3)n2)cc(F)c1F ZINC000751144954 601835554 /nfs/dbraw/zinc/83/55/54/601835554.db2.gz GITHEGBREOIRIV-UHFFFAOYSA-N -2 0 393.371 2.709 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ncccc2OC(F)F)ccc1Cl ZINC000833306448 601844010 /nfs/dbraw/zinc/84/40/10/601844010.db2.gz ULZPLKLEGQQGRX-UHFFFAOYSA-N -2 0 378.740 2.835 20 0 GFADRL CCOC(=O)c1sc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])cc1C ZINC000829895346 601847887 /nfs/dbraw/zinc/84/78/87/601847887.db2.gz PLOSDTDZUNWHOM-UHFFFAOYSA-N -2 0 387.410 2.871 20 0 GFADRL Cc1cn(-c2ccccc2)nc1[N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000832985497 601861628 /nfs/dbraw/zinc/86/16/28/601861628.db2.gz QZQHTTVJXRQZBM-UHFFFAOYSA-N -2 0 375.381 2.819 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2)c(C(=O)[O-])s1 ZINC000831348381 601986245 /nfs/dbraw/zinc/98/62/45/601986245.db2.gz HDLBYTUNFBSUAJ-UHFFFAOYSA-N -2 0 393.801 2.826 20 0 GFADRL Cc1cc(S(=O)(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)cc(C(=O)[O-])c1C ZINC000832904251 602114710 /nfs/dbraw/zinc/11/47/10/602114710.db2.gz BZDVDISKUHFQAZ-UHFFFAOYSA-N -2 0 392.433 2.912 20 0 GFADRL COC(=O)c1csc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC000831466809 602115680 /nfs/dbraw/zinc/11/56/80/602115680.db2.gz HEZLULYREJHVMC-UHFFFAOYSA-N -2 0 375.811 2.687 20 0 GFADRL COc1cc(OC)c(OC)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000481594734 602202926 /nfs/dbraw/zinc/20/29/26/602202926.db2.gz FWPTVZRQHMZXSG-UHFFFAOYSA-N -2 0 381.406 2.520 20 0 GFADRL CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCN3C(=O)[O-])c(F)c1 ZINC000738574602 602245171 /nfs/dbraw/zinc/24/51/71/602245171.db2.gz ZQIRQCKGHNNPOQ-UHFFFAOYSA-N -2 0 393.396 2.625 20 0 GFADRL Cc1nc(NC(=O)c2nn(-c3ccc(F)cc3C)cc2[O-])sc1C(=O)[O-] ZINC000832889645 602296167 /nfs/dbraw/zinc/29/61/67/602296167.db2.gz LUTGVUHQJDMQDK-UHFFFAOYSA-N -2 0 376.369 2.741 20 0 GFADRL O=C([O-])c1cc(Br)cc(S(=O)(=O)[N-]c2cc(C3CC3)[nH]n2)c1 ZINC000833294634 602306582 /nfs/dbraw/zinc/30/65/82/602306582.db2.gz SGXSNLBFIJDYEK-UHFFFAOYSA-N -2 0 386.227 2.549 20 0 GFADRL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccccc1OCC(F)F ZINC000833318656 602320647 /nfs/dbraw/zinc/32/06/47/602320647.db2.gz STRUDXCNHKCGOO-UHFFFAOYSA-N -2 0 375.324 2.969 20 0 GFADRL O=C([O-])N[C@H](CCC(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1)c1ccccc1 ZINC000740538531 602473299 /nfs/dbraw/zinc/47/32/99/602473299.db2.gz FNOGNIFTWZWQDK-OAHLLOKOSA-N -2 0 382.376 2.758 20 0 GFADRL O=C([O-])N1CCc2ccc([N-]S(=O)(=O)c3cc(F)c(F)cc3F)cc2C1 ZINC000740528802 602491134 /nfs/dbraw/zinc/49/11/34/602491134.db2.gz BMTWBBVPZJPQJQ-UHFFFAOYSA-N -2 0 386.351 2.941 20 0 GFADRL O=C([O-])NC[C@@H](NC(=O)c1ccc2c(=O)[nH]c(=S)[n-]c2c1)C1CCCCC1 ZINC000740611814 602595082 /nfs/dbraw/zinc/59/50/82/602595082.db2.gz LAFRYWRQHJFFKN-CQSZACIVSA-N -2 0 390.465 2.570 20 0 GFADRL CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])cc2)s1 ZINC000738534752 602644918 /nfs/dbraw/zinc/64/49/18/602644918.db2.gz FTGXFAFVWWMXCA-VIFPVBQESA-N -2 0 383.451 2.836 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]C(=O)CC[C@@H](NC(=O)[O-])c2ccccc2)cc1 ZINC000740148505 602670046 /nfs/dbraw/zinc/67/00/46/602670046.db2.gz UGOMVERSQSMUAX-MRXNPFEDSA-N -2 0 376.434 2.589 20 0 GFADRL Cc1cccc(S(=O)(=O)[N-]C(=O)CC[C@H](NC(=O)[O-])c2ccccc2)c1 ZINC000740173581 602670174 /nfs/dbraw/zinc/67/01/74/602670174.db2.gz ORKRAJZCIUQUAP-INIZCTEOSA-N -2 0 376.434 2.589 20 0 GFADRL O=C([O-])N[C@@H](CCC(=O)[N-]S(=O)(=O)/C=C/c1ccccc1)c1ccccc1 ZINC000740541104 602670393 /nfs/dbraw/zinc/67/03/93/602670393.db2.gz WIUGANGJWBTHDP-CLVCIHKQSA-N -2 0 388.445 2.892 20 0 GFADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2CN(C)C(=O)[O-])cc1C ZINC000828788320 603241807 /nfs/dbraw/zinc/24/18/07/603241807.db2.gz FUHUALSINKIRIQ-UHFFFAOYSA-N -2 0 392.433 2.692 20 0 GFADRL COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000828809228 603403158 /nfs/dbraw/zinc/40/31/58/603403158.db2.gz AXXAYWFFOQQSOD-VIFPVBQESA-N -2 0 384.435 2.664 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc([C@@H](C)NC(=O)[O-])cc2)oc1C ZINC000828760311 603494091 /nfs/dbraw/zinc/49/40/91/603494091.db2.gz BCWGRPVJFCNUOL-SECBINFHSA-N -2 0 382.394 2.504 20 0 GFADRL Cc1ccc(C(=O)[N-]S(=O)(=O)Cc2ccccc2Cl)cc1NC(=O)[O-] ZINC000830230372 603677802 /nfs/dbraw/zinc/67/78/02/603677802.db2.gz HACJTHIBFKNSSN-UHFFFAOYSA-N -2 0 382.825 2.998 20 0 GFADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CC[C@H](NC(=O)[O-])[C@@H](C)C3)n2)c1 ZINC000824469902 603839114 /nfs/dbraw/zinc/83/91/14/603839114.db2.gz HSHJWWKHLBCYNW-BBRMVZONSA-N -2 0 386.452 2.820 20 0 GFADRL COc1ccc(OC)c(S(=O)(=O)[N-]c2cccc3c2CCN3C(=O)[O-])c1 ZINC000829501343 604014364 /nfs/dbraw/zinc/01/43/64/604014364.db2.gz ZYYRTMLJMJFDCT-UHFFFAOYSA-N -2 0 378.406 2.545 20 0 GFADRL Cc1ccc(S(=O)(=O)Nc2cccc3c2CCN3C(=O)[O-])cc1C(=O)[O-] ZINC000830421255 604014799 /nfs/dbraw/zinc/01/47/99/604014799.db2.gz NTZIIZKJKKLYMB-UHFFFAOYSA-N -2 0 376.390 2.535 20 0 GFADRL COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)[N-]S(=O)(=O)c1ccccc1 ZINC000829187842 604207925 /nfs/dbraw/zinc/20/79/25/604207925.db2.gz OEGHSRKMGGFILV-UHFFFAOYSA-N -2 0 384.797 2.557 20 0 GFADRL C[C@@H](C(=O)[N-]S(=O)(=O)CC1CCCCC1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823701299 604244779 /nfs/dbraw/zinc/24/47/79/604244779.db2.gz CFHMSZLDBNSWAS-CJNGLKHVSA-N -2 0 382.482 2.658 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(c2)ncn3-c2ccccc2)c[nH]1 ZINC000833306052 604405432 /nfs/dbraw/zinc/40/54/32/604405432.db2.gz XYYSTGRAFXAJQI-UHFFFAOYSA-N -2 0 382.401 2.853 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)c(Cl)c1 ZINC000833781595 604748368 /nfs/dbraw/zinc/74/83/68/604748368.db2.gz JTNHLVMWDZXUCO-GFCCVEGCSA-N -2 0 395.820 2.805 20 0 GFADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1F ZINC000833148551 604879675 /nfs/dbraw/zinc/87/96/75/604879675.db2.gz MDLOZQDWPGTAEV-UHFFFAOYSA-N -2 0 392.191 2.949 20 0 GFADRL CCc1nc([N-]S(=O)(=O)c2c(Cl)nc3ccccn32)sc1C(=O)[O-] ZINC000833676033 604991535 /nfs/dbraw/zinc/99/15/35/604991535.db2.gz WZEYLNHKMUAQDP-UHFFFAOYSA-N -2 0 386.842 2.506 20 0 GFADRL CCS[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1)C(C)C ZINC000833668901 605119601 /nfs/dbraw/zinc/11/96/01/605119601.db2.gz UXLBOHDJIYCCJE-GFCCVEGCSA-N -2 0 379.887 2.621 20 0 GFADRL Cc1cc(F)c(S(=O)(=O)N2CCCc3c(C(=O)[O-])cccc32)cc1C(=O)[O-] ZINC000833744836 605169736 /nfs/dbraw/zinc/16/97/36/605169736.db2.gz RJSUQPZVRSSYLY-UHFFFAOYSA-N -2 0 393.392 2.672 20 0 GFADRL O=C([O-])c1cccc(C[N-]S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c1 ZINC000776531184 605243834 /nfs/dbraw/zinc/24/38/34/605243834.db2.gz KHXUDTNWVSFPEU-UHFFFAOYSA-N -2 0 381.278 2.559 20 0 GFADRL CC[C@@H](C)[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000833639848 605679988 /nfs/dbraw/zinc/67/99/88/605679988.db2.gz ZFIIWVADINYBQY-RKDXNWHRSA-N -2 0 381.372 2.891 20 0 GFADRL O=C([O-])N1CCc2nc([N-]S(=O)(=O)c3cc(F)cc(Cl)c3)sc2C1 ZINC000834120063 606042200 /nfs/dbraw/zinc/04/22/00/606042200.db2.gz IOTJIRGLJIVNNF-UHFFFAOYSA-N -2 0 391.833 2.773 20 0 GFADRL O=C([O-])N[C@H](CCC(=O)N1CCc2ccccc2[C@H]1C(=O)[O-])c1ccccc1 ZINC000834138053 606053241 /nfs/dbraw/zinc/05/32/41/606053241.db2.gz ROGGVWPDFJNJMD-MJGOQNOKSA-N -2 0 382.416 2.986 20 0 GFADRL O=C([O-])N[C@@H](CCC(=O)N1CCc2ccccc2[C@H]1C(=O)[O-])c1ccccc1 ZINC000834138046 606053461 /nfs/dbraw/zinc/05/34/61/606053461.db2.gz ROGGVWPDFJNJMD-HKUYNNGSSA-N -2 0 382.416 2.986 20 0 GFADRL O=C([O-])NCc1ccc(C(=O)NCc2c(C(=O)[O-])sc3ccsc32)o1 ZINC000834249236 606061403 /nfs/dbraw/zinc/06/14/03/606061403.db2.gz QHBACMWQWNSOSQ-UHFFFAOYSA-N -2 0 380.403 2.952 20 0 GFADRL O=C([O-])N[C@H](CC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1)c1ccccc1 ZINC000834121829 606067010 /nfs/dbraw/zinc/06/70/10/606067010.db2.gz IXQPUWKSDBKRJX-GDBMZVCRSA-N -2 0 376.796 2.981 20 0 GFADRL O=C([O-])C[C@@H](NC(=O)C[C@H](NC(=O)[O-])c1ccccc1)c1ccc(F)cc1F ZINC000834061351 606068119 /nfs/dbraw/zinc/06/81/19/606068119.db2.gz UBCKZLDVHMOQDD-JKSUJKDBSA-N -2 0 392.358 2.996 20 0 GFADRL O=C([O-])N[C@@H](CC(=O)N1CCc2ccc(C(=O)[O-])cc2C1)Cc1ccccc1 ZINC000834124462 606113945 /nfs/dbraw/zinc/11/39/45/606113945.db2.gz XSTSSLBGZCCOLB-GOSISDBHSA-N -2 0 382.416 2.539 20 0 GFADRL COCCOc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC000048382708 654705721 /nfs/dbraw/zinc/70/57/21/654705721.db2.gz PFONIEAEZGAEHE-UHFFFAOYSA-N -2 0 385.825 2.864 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2cnn(CC(F)(F)F)c2)cc(C(=O)[O-])c1Cl ZINC000134602370 654997492 /nfs/dbraw/zinc/99/74/92/654997492.db2.gz KWJCARVDSCDZQT-UHFFFAOYSA-N -2 0 397.762 2.906 20 0 GFADRL CCCn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2Br)cn1 ZINC000174745578 655207020 /nfs/dbraw/zinc/20/70/20/655207020.db2.gz RIINKPGTXBIQBW-UHFFFAOYSA-N -2 0 394.272 2.616 20 0 GFADRL CCn1nc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(OC)cc2Cl)c1C ZINC000276898022 655292195 /nfs/dbraw/zinc/29/21/95/655292195.db2.gz NLUZCFBJVVRXFX-UHFFFAOYSA-N -2 0 387.845 2.681 20 0 GFADRL Cc1cc(F)c(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2)cc1C(=O)[O-] ZINC000753781067 655858635 /nfs/dbraw/zinc/85/86/35/655858635.db2.gz TWIYXGSJCYUHQY-DEOSSOPVSA-N -2 0 385.438 2.512 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)c(C(=O)[O-])c1 ZINC000758164952 655924910 /nfs/dbraw/zinc/92/49/10/655924910.db2.gz WJEKXVKNNROMJE-UHFFFAOYSA-N -2 0 377.205 2.896 20 0 GFADRL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-]c2cnoc2C2CC2)s1 ZINC000840916735 661207023 /nfs/dbraw/zinc/20/70/23/661207023.db2.gz BYONIMLGRITAAM-UHFFFAOYSA-N -2 0 393.240 2.875 20 0 GFADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000761969290 656026912 /nfs/dbraw/zinc/02/69/12/656026912.db2.gz JQGGNESQRDYDPO-UHFFFAOYSA-N -2 0 378.740 2.521 20 0 GFADRL Cc1c(NS(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)cccc1C(=O)[O-] ZINC000767741034 656218293 /nfs/dbraw/zinc/21/82/93/656218293.db2.gz YWAUSJYNECSUOR-UHFFFAOYSA-N -2 0 387.772 2.985 20 0 GFADRL CC(C)n1cc([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)cn1 ZINC000769626778 656282645 /nfs/dbraw/zinc/28/26/45/656282645.db2.gz XTFPWZSZVWVXON-UHFFFAOYSA-N -2 0 394.272 2.787 20 0 GFADRL COc1cc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)cc1F ZINC000775294084 656624836 /nfs/dbraw/zinc/62/48/36/656624836.db2.gz HMTQWMPNUQAEEB-UHFFFAOYSA-N -2 0 375.324 2.920 20 0 GFADRL CC(C)(C)C[C@@H]([N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)[O-] ZINC000776552233 656756593 /nfs/dbraw/zinc/75/65/93/656756593.db2.gz PETMBNWRWVNYBR-RXMQYKEDSA-N -2 0 375.315 2.550 20 0 GFADRL C[C@H](CCC[C@@H](C)C(=O)[O-])[N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000776575105 656761749 /nfs/dbraw/zinc/76/17/49/656761749.db2.gz YTGJVNSGYDPXQM-RNFRBKRXSA-N -2 0 389.342 2.940 20 0 GFADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1[C@H](O)C(F)(F)F ZINC000777742942 656833685 /nfs/dbraw/zinc/83/36/85/656833685.db2.gz BAYBYHNOTACERE-LBPRGKRZSA-N -2 0 379.312 2.683 20 0 GFADRL Cc1onc(OC(F)F)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000788133378 657655384 /nfs/dbraw/zinc/65/53/84/657655384.db2.gz XPUQEEDFRQQIFB-UHFFFAOYSA-N -2 0 382.728 2.737 20 0 GFADRL COc1cc(OC)c([N-]S(=O)(=O)c2ccc(Cl)nc2C)c(C(=O)[O-])c1 ZINC000806634564 659838205 /nfs/dbraw/zinc/83/82/05/659838205.db2.gz MATVCFSHXLBCCZ-UHFFFAOYSA-N -2 0 386.813 2.560 20 0 GFADRL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Cl)nc1C ZINC000806636280 659838450 /nfs/dbraw/zinc/83/84/50/659838450.db2.gz MPDQLBLTNZXBIM-UHFFFAOYSA-N -2 0 384.841 2.870 20 0 GFADRL COc1cc(F)c(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000811712883 660014657 /nfs/dbraw/zinc/01/46/57/660014657.db2.gz KEMKMFQSLBGJOJ-UHFFFAOYSA-N -2 0 379.287 2.751 20 0 GFADRL O=C([O-])[C@@H]1CC[C@H](C(=O)N2CC[C@@H](C(=O)[O-])c3cc(Br)ccc32)C1 ZINC000902325635 663759637 /nfs/dbraw/zinc/75/96/37/663759637.db2.gz SDBOPMNMJLEJLW-HOSYDEDBSA-N -2 0 396.237 2.855 20 0 GFADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Br)c(O)c1 ZINC000916102022 664450119 /nfs/dbraw/zinc/45/01/19/664450119.db2.gz PPLVWAMKLZXPMP-UHFFFAOYSA-N -2 0 386.223 2.962 20 0 GFADRL COc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2cccs2)cc1OC(F)F ZINC000047250944 551152678 /nfs/dbraw/zinc/15/26/78/551152678.db2.gz VUBDSHHPHZPBBN-UHFFFAOYSA-N -2 0 379.362 2.857 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2cnn(CC(F)(F)F)c2)c(C)c1C(=O)[O-] ZINC000156340366 551520581 /nfs/dbraw/zinc/52/05/81/551520581.db2.gz DBWJJHJWOIUZDL-UHFFFAOYSA-N -2 0 377.344 2.561 20 0 GFADRL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)C[C@H]1CCCC1(F)F ZINC000296893643 563307001 /nfs/dbraw/zinc/30/70/01/563307001.db2.gz ISPAFDXANNHEOE-GFCCVEGCSA-N -2 0 377.409 2.890 20 0 GFADRL COc1cc(OC)c([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1Cl ZINC000320472095 563447151 /nfs/dbraw/zinc/44/71/51/563447151.db2.gz ZQRQRNWJZZTMTB-UHFFFAOYSA-N -2 0 377.827 2.918 20 0 GFADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)ccc1NC(C)=O ZINC000327400935 563457820 /nfs/dbraw/zinc/45/78/20/563457820.db2.gz KFGISWBMPIRTLR-UHFFFAOYSA-N -2 0 384.435 2.523 20 0 GFADRL COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc([C@@H](C)CC(=O)[O-])cc1 ZINC000328159408 563461074 /nfs/dbraw/zinc/46/10/74/563461074.db2.gz QGNHJMHQMTWXPG-JTQLQIEISA-N -2 0 383.447 2.914 20 0 GFADRL CC(C)Oc1c([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cccc1C(=O)[O-] ZINC000410399119 563589947 /nfs/dbraw/zinc/58/99/47/563589947.db2.gz CXIHLIGLNXSLEZ-UHFFFAOYSA-N -3 0 385.419 2.733 20 0 GFADRL O=C([O-])c1ccc([O-])c(S(=O)(=O)N2CCc3ccc(Br)cc32)c1 ZINC000436996150 563687488 /nfs/dbraw/zinc/68/74/88/563687488.db2.gz SNWMZMUNUDJSME-UHFFFAOYSA-N -2 0 398.234 2.604 20 0 GFADRL O=C([O-])c1ccc([O-])c(S(=O)(=O)N2CCc3cc(Br)ccc32)c1 ZINC000436993291 563687708 /nfs/dbraw/zinc/68/77/08/563687708.db2.gz ALEVIKZHGRHUDC-UHFFFAOYSA-N -2 0 398.234 2.604 20 0 GFADRL O=C([O-])c1ccc(O)c(S(=O)(=O)[N-]c2ccc(Br)c(F)c2)c1 ZINC000436995556 563687898 /nfs/dbraw/zinc/68/78/98/563687898.db2.gz QPUBMNCKEYSRMY-UHFFFAOYSA-N -2 0 390.186 2.793 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn(C)cc3C(=O)[O-])cc2)s1 ZINC000364064347 563741434 /nfs/dbraw/zinc/74/14/34/563741434.db2.gz VBBVAZXTQZOENS-UHFFFAOYSA-N -2 0 377.447 2.956 20 0 GFADRL CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000442242484 563770057 /nfs/dbraw/zinc/77/00/57/563770057.db2.gz OFISUVVBLIKEDG-UHFFFAOYSA-N -2 0 383.809 2.952 20 0 GFADRL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1sccc1OC ZINC000471119919 564186519 /nfs/dbraw/zinc/18/65/19/564186519.db2.gz BCLKPOSHOGYQJZ-UHFFFAOYSA-N -2 0 375.399 2.794 20 0 GFADRL Cc1ncc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC(F)(F)F)s1 ZINC000471969063 564209228 /nfs/dbraw/zinc/20/92/28/564209228.db2.gz RGMRRKLWVWPJCX-UHFFFAOYSA-N -2 0 382.341 2.849 20 0 GFADRL COc1cc(S(=O)(=O)[N-]c2ccc3c(c2)COC3)c(Cl)cc1C(=O)[O-] ZINC000506995257 564215312 /nfs/dbraw/zinc/21/53/12/564215312.db2.gz QZGNQIDZYYXCTC-UHFFFAOYSA-N -2 0 383.809 2.878 20 0 GFADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(S[C@@H](C)C(=O)[O-])cc1 ZINC000507600055 564234521 /nfs/dbraw/zinc/23/45/21/564234521.db2.gz BUKIFYPOFFXHQY-VIFPVBQESA-N -3 0 385.419 2.652 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)ccc2OCC(F)(F)F)c[nH]1 ZINC000509668080 564308997 /nfs/dbraw/zinc/30/89/97/564308997.db2.gz SNXPDALRIWCWTM-UHFFFAOYSA-N -2 0 382.291 2.594 20 0 GFADRL COc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])c(Cl)cc1C(=O)[O-] ZINC000542740812 564324041 /nfs/dbraw/zinc/32/40/41/564324041.db2.gz UQGSELGYYVAMNH-UHFFFAOYSA-N -3 0 385.781 2.546 20 0 GFADRL COc1cc(S(=O)(=O)[N-]c2cccc3c2OCO3)c(Cl)cc1C(=O)[O-] ZINC000542943351 564333254 /nfs/dbraw/zinc/33/32/54/564333254.db2.gz KLTMEVAVFMLQLJ-UHFFFAOYSA-N -2 0 385.781 2.576 20 0 GFADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)[O-] ZINC000543658593 564358100 /nfs/dbraw/zinc/35/81/00/564358100.db2.gz QKNFSKDZOZCAEY-UHFFFAOYSA-N -3 0 375.811 2.907 20 0 GFADRL COc1cc(S(=O)(=O)[N-]c2c(C)[nH]nc2C(F)F)c(Cl)cc1C(=O)[O-] ZINC000543665379 564358374 /nfs/dbraw/zinc/35/83/74/564358374.db2.gz YPFFUJHGCAMYLW-UHFFFAOYSA-N -2 0 395.771 2.817 20 0 GFADRL COc1c(F)cc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)cc1F ZINC000512733605 564409587 /nfs/dbraw/zinc/40/95/87/564409587.db2.gz MICDBXKXHFBMFX-UHFFFAOYSA-N -2 0 375.324 2.920 20 0 GFADRL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1cc(C(F)(F)F)[nH]n1 ZINC000479409882 564439241 /nfs/dbraw/zinc/43/92/41/564439241.db2.gz QOQVRVZXEBIVKB-UHFFFAOYSA-N -2 0 383.735 2.889 20 0 GFADRL C[S@@](=O)Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000546539193 564457979 /nfs/dbraw/zinc/45/79/79/564457979.db2.gz UXQXNAHTUBWWJZ-HSZRJFAPSA-N -2 0 387.866 2.718 20 0 GFADRL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)N(C)c1ccccc1C(=O)[O-] ZINC000480199369 564463400 /nfs/dbraw/zinc/46/34/00/564463400.db2.gz SHHSQDWLUNKOHB-UHFFFAOYSA-N -2 0 383.809 2.870 20 0 GFADRL Cc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000569537565 564467524 /nfs/dbraw/zinc/46/75/24/564467524.db2.gz JKBGLVKDEWWNMA-UHFFFAOYSA-N -2 0 383.809 2.775 20 0 GFADRL COc1cc(C)c([N-]S(=O)(=O)c2ccc(Br)o2)c(C(=O)[O-])c1 ZINC000547613604 564503248 /nfs/dbraw/zinc/50/32/48/564503248.db2.gz CANDAFUNKKXQCT-UHFFFAOYSA-N -2 0 390.211 2.858 20 0 GFADRL C[C@H](Cc1ccc([N-]S(=O)(=O)c2ccc(Br)cn2)cc1)C(=O)[O-] ZINC000571709724 564562711 /nfs/dbraw/zinc/56/27/11/564562711.db2.gz RMXGTMKCTQBHIC-SNVBAGLBSA-N -2 0 399.266 2.908 20 0 GFADRL COc1cc(S(=O)(=O)[N-]c2cccc3c[nH]nc32)c(Cl)cc1C(=O)[O-] ZINC000485279206 564612015 /nfs/dbraw/zinc/61/20/15/564612015.db2.gz VLWIDDPPJHPVDJ-UHFFFAOYSA-N -2 0 381.797 2.724 20 0 GFADRL CCNC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000520967970 564616392 /nfs/dbraw/zinc/61/63/92/564616392.db2.gz LISORAKEOQNIKI-UHFFFAOYSA-N -2 0 382.825 2.589 20 0 GFADRL CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000574734074 564686631 /nfs/dbraw/zinc/68/66/31/564686631.db2.gz AQNMRDWKFDKWQA-SSDOTTSWSA-N -2 0 386.214 2.649 20 0 GFADRL CCc1nc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(Cl)c2)s1 ZINC000489033145 564727137 /nfs/dbraw/zinc/72/71/37/564727137.db2.gz ANWKEBLCTOLYRF-UHFFFAOYSA-N -2 0 390.870 2.932 20 0 GFADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1c(C)csc1C(=O)OC ZINC000527194012 564733812 /nfs/dbraw/zinc/73/38/12/564733812.db2.gz QSFCOMMWJFQYME-UHFFFAOYSA-N -2 0 383.447 2.905 20 0 GFADRL COC(=O)Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000489614058 564745613 /nfs/dbraw/zinc/74/56/13/564745613.db2.gz AHXAOTDGPWEYLL-UHFFFAOYSA-N -2 0 383.809 2.555 20 0 GFADRL CC[C@H](C)Oc1cc(C)ccc1CNS(=O)(=O)c1csnc1C(=O)[O-] ZINC000580831147 564775289 /nfs/dbraw/zinc/77/52/89/564775289.db2.gz FGXFUCSCTRAPRS-NSHDSACASA-N -2 0 384.479 2.806 20 0 GFADRL CCc1ncc(S(=O)(=O)[N-]c2cc(Br)cc(C(=O)[O-])c2)s1 ZINC000460785617 564780820 /nfs/dbraw/zinc/78/08/20/564780820.db2.gz UVBCZYUEORCCFA-UHFFFAOYSA-N -2 0 391.268 2.967 20 0 GFADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000558460130 564901686 /nfs/dbraw/zinc/90/16/86/564901686.db2.gz ZQVOGYLHMDXVRQ-VIFPVBQESA-N -2 0 383.447 2.819 20 0 GFADRL COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1ccc(Cl)c(C(=O)[O-])c1 ZINC000466356095 564939239 /nfs/dbraw/zinc/93/92/39/564939239.db2.gz YDZRMWPIPJDUJB-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL Cc1noc(C)c1[N-]S(=O)(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC000534236188 564982601 /nfs/dbraw/zinc/98/26/01/564982601.db2.gz VRSUCPNNZFPKDK-UHFFFAOYSA-N -2 0 375.200 2.553 20 0 GFADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(CCCC(=O)[O-])cc1 ZINC000535401703 565012345 /nfs/dbraw/zinc/01/23/45/565012345.db2.gz RJOJDJZEXMWCFX-UHFFFAOYSA-N -2 0 383.447 2.963 20 0 GFADRL C[C@H](Oc1ccccc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1)C(F)(F)F ZINC000584313526 565076300 /nfs/dbraw/zinc/07/63/00/565076300.db2.gz UVBCTPVZYLYLSK-QMMMGPOBSA-N -2 0 378.328 2.843 20 0 GFADRL CCOC(=O)c1cnc(NC(=O)c2cc(Cl)cc(Br)c2[O-])[n-]1 ZINC000590355513 565185721 /nfs/dbraw/zinc/18/57/21/565185721.db2.gz SZPVQCSMOBUYFF-UHFFFAOYSA-N -2 0 388.605 2.960 20 0 GFADRL O=C([O-])CC[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1F)C(F)(F)F ZINC000663294149 565408407 /nfs/dbraw/zinc/40/84/07/565408407.db2.gz OZNFFTHKUHCRSY-SSDOTTSWSA-N -2 0 377.743 2.801 20 0 GFADRL CO[C@H](CS(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1[O-])C1CCOCC1 ZINC000647129486 565638744 /nfs/dbraw/zinc/63/87/44/565638744.db2.gz COOHQMHGSUNBLV-CYBMUJFWSA-N -2 0 384.281 2.882 20 0 GFADRL CO[C@H](CS(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC(F)(F)F)C(C)C ZINC000647130649 565640846 /nfs/dbraw/zinc/64/08/46/565640846.db2.gz VGUXJJSMSOOMHA-GFCCVEGCSA-N -2 0 385.360 2.696 20 0 GFADRL COc1ccccc1-c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)n[nH]1 ZINC000674054471 565858418 /nfs/dbraw/zinc/85/84/18/565858418.db2.gz RAJOWIYJJHKXEJ-UHFFFAOYSA-N -2 0 379.419 2.646 20 0 GFADRL CCOC(=O)CCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC000610058261 566062923 /nfs/dbraw/zinc/06/29/23/566062923.db2.gz WXGXFZAYVAEDBW-UHFFFAOYSA-N -2 0 383.447 2.743 20 0 GFADRL Cc1ccc([C@H]([N-]S(=O)(=O)c2cnc(C)c(C(=O)[O-])c2)C(F)(F)F)o1 ZINC000656181087 566111755 /nfs/dbraw/zinc/11/17/55/566111755.db2.gz OGTHOQRZMYLIOR-LBPRGKRZSA-N -2 0 378.328 2.572 20 0 GFADRL COc1cc(F)c(S(=O)(=O)[N-]c2cc(F)c(C)cc2C(=O)[O-])c(F)c1 ZINC000681579932 566114525 /nfs/dbraw/zinc/11/45/25/566114525.db2.gz VPMBBAHDWJTJNQ-UHFFFAOYSA-N -2 0 375.324 2.920 20 0 GFADRL COC(=O)c1csc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)c1C ZINC000611443564 566130175 /nfs/dbraw/zinc/13/01/75/566130175.db2.gz DRBFFWDBLOMUFO-UHFFFAOYSA-N -2 0 387.410 2.790 20 0 GFADRL COC(=O)c1csc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c1C ZINC000611443649 566130381 /nfs/dbraw/zinc/13/03/81/566130381.db2.gz KOPPCUMSLDUGGV-UHFFFAOYSA-N -2 0 383.447 2.959 20 0 GFADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)c1sccc1SC(F)F ZINC000739451985 599704583 /nfs/dbraw/zinc/70/45/83/599704583.db2.gz NGJIKSTXDYBADE-UHFFFAOYSA-N -2 0 399.443 2.941 20 0 GFADRL C[C@@H](Sc1ccccc1C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1)C(=O)[O-] ZINC000736715721 599753047 /nfs/dbraw/zinc/75/30/47/599753047.db2.gz GETGUVAGCFRWRM-SNVBAGLBSA-N -2 0 385.401 2.847 20 0 GFADRL O=C([O-])C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)c2ccccc2S1 ZINC000738564312 599753446 /nfs/dbraw/zinc/75/34/46/599753446.db2.gz ONKATHQUYFRHLC-LBPRGKRZSA-N -2 0 393.442 2.529 20 0 GFADRL CCc1cccc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C(=O)OC ZINC000737266720 599812950 /nfs/dbraw/zinc/81/29/50/599812950.db2.gz HVUIJNGKHYINOD-UHFFFAOYSA-N -2 0 383.447 2.905 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc3[nH]c(C)cc3c2)c(C(=O)[O-])s1 ZINC000737681648 599814565 /nfs/dbraw/zinc/81/45/65/599814565.db2.gz UAABWDXXBSMONI-UHFFFAOYSA-N -2 0 394.430 2.823 20 0 GFADRL CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C(=O)OC)c(C)c1 ZINC000737203846 599815734 /nfs/dbraw/zinc/81/57/34/599815734.db2.gz RABLXVWBOJCKFZ-UHFFFAOYSA-N -2 0 399.446 2.741 20 0 GFADRL CC1=C(C(=O)[O-])[C@@H](c2cccc(O[C@@H](C)C(=O)[O-])c2)NC(=O)N1CC(C)C ZINC000736750995 599984269 /nfs/dbraw/zinc/98/42/69/599984269.db2.gz NHZOMXHVLCYULL-BLLLJJGKSA-N -2 0 376.409 2.619 20 0 GFADRL CCc1nc([C@H]2NC(=O)N(CCCCCC(=O)[O-])C(C)=C2C(=O)[O-])cs1 ZINC000737281508 599989586 /nfs/dbraw/zinc/98/95/86/599989586.db2.gz JZLRYQYTUHRAEN-OAHLLOKOSA-N -2 0 381.454 2.775 20 0 GFADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccnn2Cc2ccccc2F)c1C(=O)[O-] ZINC000738969638 599998161 /nfs/dbraw/zinc/99/81/61/599998161.db2.gz OEBFCAYNYPXSHS-UHFFFAOYSA-N -2 0 393.396 2.779 20 0 GFADRL C[C@@H](CC(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1)C1CC1 ZINC000736548321 600044646 /nfs/dbraw/zinc/04/46/46/600044646.db2.gz KIDBCPSLTKETBL-QMMMGPOBSA-N -2 0 379.356 2.645 20 0 GFADRL CC(C)n1nccc1[N-]S(=O)(=O)c1ccc(Br)cc1C(=O)[O-] ZINC000736541063 600053404 /nfs/dbraw/zinc/05/34/04/600053404.db2.gz PBOFXDOUOLSEOR-UHFFFAOYSA-N -2 0 388.243 2.726 20 0 GFADRL Cc1ccsc1Cn1nccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000738798824 600054664 /nfs/dbraw/zinc/05/46/64/600054664.db2.gz MHRSHIYNBVXCLZ-UHFFFAOYSA-N -2 0 383.476 2.862 20 0 GFADRL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]c1ccc(N(C)C(=O)[O-])cc1 ZINC000737696361 600097726 /nfs/dbraw/zinc/09/77/26/600097726.db2.gz WGFWCKMFQYUSTB-UHFFFAOYSA-N -2 0 382.369 2.527 20 0 GFADRL CN(C)c1ccc([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])cn1 ZINC000392712335 600101847 /nfs/dbraw/zinc/10/18/47/600101847.db2.gz LVTKQOUCTBAPOU-UHFFFAOYSA-N -2 0 377.447 2.861 20 0 GFADRL Cc1cc(C(=O)[O-])c2sc([N-]S(=O)(=O)c3cccc(F)c3F)nc2n1 ZINC000738344682 600102231 /nfs/dbraw/zinc/10/22/31/600102231.db2.gz FCYJFZLTIVDGQE-UHFFFAOYSA-N -2 0 385.373 2.777 20 0 GFADRL CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c(O)c1 ZINC000737154778 600245391 /nfs/dbraw/zinc/24/53/91/600245391.db2.gz BRLYTAZWVUFNIP-UHFFFAOYSA-N -2 0 399.808 2.721 20 0 GFADRL CC(=O)N(Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1)C(C)C ZINC000736131689 600253995 /nfs/dbraw/zinc/25/39/95/600253995.db2.gz VWQQWCUHXGUHPO-UHFFFAOYSA-N -2 0 380.422 2.536 20 0 GFADRL COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1cc(C)[nH]c1C(=O)[O-] ZINC000737723868 600255082 /nfs/dbraw/zinc/25/50/82/600255082.db2.gz QOMWFXILMPLIOV-UHFFFAOYSA-N -2 0 394.430 2.823 20 0 GFADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1ccc(SCc2ccccc2)cc1 ZINC000739691004 600462565 /nfs/dbraw/zinc/46/25/65/600462565.db2.gz DDSGRLMUWBDGBM-UHFFFAOYSA-N -2 0 393.486 2.903 20 0 GFADRL COC(=O)c1c(C)c(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc2[nH]ccc2c1 ZINC000737648385 600565084 /nfs/dbraw/zinc/56/50/84/600565084.db2.gz FEMWKLQDQNCFOY-UHFFFAOYSA-N -2 0 394.430 2.823 20 0 GFADRL COc1cc([N-]S(=O)(=O)c2c(C)nn(C(C)C)c2C)c(C(=O)[O-])cc1OC ZINC000604303873 600612210 /nfs/dbraw/zinc/61/22/10/600612210.db2.gz HIHDVLNOBCLLSE-UHFFFAOYSA-N -2 0 397.453 2.597 20 0 GFADRL CCN(CC)C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000267218510 600627810 /nfs/dbraw/zinc/62/78/10/600627810.db2.gz UCPYUGWMUJTCJF-UHFFFAOYSA-N -2 0 390.461 2.597 20 0 GFADRL CC(C)[C@@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000736359065 600658099 /nfs/dbraw/zinc/65/80/99/600658099.db2.gz TUHRTMVWGHABIN-GOSISDBHSA-N -2 0 389.473 2.846 20 0 GFADRL COc1ccccc1-n1cc(S(=O)(=O)[N-]c2cc(C)c(C(=O)[O-])s2)cn1 ZINC000832582577 600672389 /nfs/dbraw/zinc/67/23/89/600672389.db2.gz CTQSBLSJZVAYQS-UHFFFAOYSA-N -2 0 393.446 2.750 20 0 GFADRL COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1C(=O)[O-] ZINC000831435042 600689410 /nfs/dbraw/zinc/68/94/10/600689410.db2.gz MAFNSCFTWMRAEQ-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)sc1C(=O)[O-] ZINC000265738413 600898604 /nfs/dbraw/zinc/89/86/04/600898604.db2.gz FDKJNWFENCZYTE-UHFFFAOYSA-N -3 0 383.447 2.918 20 0 GFADRL CCOC(=O)c1sc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1C ZINC000829895510 600983762 /nfs/dbraw/zinc/98/37/62/600983762.db2.gz SNDYRGHHBCUONA-UHFFFAOYSA-N -2 0 375.449 2.794 20 0 GFADRL CCc1cnc([N-]S(=O)(=O)c2ccc(Br)cc2C(=O)[O-])s1 ZINC000830298850 600985414 /nfs/dbraw/zinc/98/54/14/600985414.db2.gz HMRTZSSVAKRNII-UHFFFAOYSA-N -2 0 391.268 2.967 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cccc(C(F)(F)F)n1 ZINC000831946279 601200887 /nfs/dbraw/zinc/20/08/87/601200887.db2.gz RBKGWFQYNOHXOM-UHFFFAOYSA-N -2 0 382.341 2.670 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)c1F ZINC000749142335 601223889 /nfs/dbraw/zinc/22/38/89/601223889.db2.gz NAUSYDYXUCTLEF-UHFFFAOYSA-N -3 0 387.772 2.985 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2cccc(OC[C@H]3CCCO3)c2)cc1C(=O)[O-] ZINC000833030164 601232365 /nfs/dbraw/zinc/23/23/65/601232365.db2.gz SKLYEJKMPCPHBZ-CQSZACIVSA-N -2 0 381.406 2.645 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2cc(Br)ccc2F)cc1C(=O)[O-] ZINC000833027897 601234073 /nfs/dbraw/zinc/23/40/73/601234073.db2.gz ZSSNBQFPSCRCSJ-UHFFFAOYSA-N -2 0 378.175 2.989 20 0 GFADRL O=C([O-])[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000833184205 601235100 /nfs/dbraw/zinc/23/51/00/601235100.db2.gz ODWHUJUKUAGCKI-RKDXNWHRSA-N -2 0 380.249 2.689 20 0 GFADRL Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000832924508 601235773 /nfs/dbraw/zinc/23/57/73/601235773.db2.gz QFAFJLLMWPPITF-KGLIPLIRSA-N -2 0 381.494 2.988 20 0 GFADRL Cc1cccc([N-]S(=O)(=O)c2ccc(Br)c(C(=O)[O-])c2)c1O ZINC000754827155 601241053 /nfs/dbraw/zinc/24/10/53/601241053.db2.gz KXHQNJDAJHSKHW-UHFFFAOYSA-N -2 0 386.223 2.962 20 0 GFADRL CCCc1ccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])s2)c(C(=O)[O-])c1 ZINC000829566718 601323176 /nfs/dbraw/zinc/32/31/76/601323176.db2.gz TXIACCBIRTUHJF-UHFFFAOYSA-N -3 0 383.447 2.827 20 0 GFADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)s1 ZINC000833267010 601326834 /nfs/dbraw/zinc/32/68/34/601326834.db2.gz JLVYXCGLIBSTOE-UHFFFAOYSA-N -3 0 375.811 2.528 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccnn2CCc2ccccc2)ccc1F ZINC000833306298 601329619 /nfs/dbraw/zinc/32/96/19/601329619.db2.gz NPWQTIJKZPTKPN-UHFFFAOYSA-N -2 0 389.408 2.764 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000524813962 601332388 /nfs/dbraw/zinc/33/23/88/601332388.db2.gz KZDOOOLMBLZIPC-UHFFFAOYSA-N -3 0 393.417 2.556 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(Br)cn2)c1C ZINC000314074823 601359280 /nfs/dbraw/zinc/35/92/80/601359280.db2.gz LZYKQUAEDRGCID-UHFFFAOYSA-N -2 0 385.239 2.960 20 0 GFADRL CC(C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])cc1 ZINC000826658106 601383462 /nfs/dbraw/zinc/38/34/62/601383462.db2.gz GIAJRTHJZOCSMK-UHFFFAOYSA-N -2 0 397.840 2.829 20 0 GFADRL COc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC000831852392 601383798 /nfs/dbraw/zinc/38/37/98/601383798.db2.gz YAJHEYFGNFXPGX-UHFFFAOYSA-N -2 0 377.205 2.896 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCC3)c(F)cc1F ZINC000833306017 601388804 /nfs/dbraw/zinc/38/88/04/601388804.db2.gz JJZGHGVIEURDQH-UHFFFAOYSA-N -2 0 381.356 2.983 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)ncc1Br ZINC000316552454 601396041 /nfs/dbraw/zinc/39/60/41/601396041.db2.gz IPYLBVGKQFVAGD-UHFFFAOYSA-N -2 0 389.202 2.791 20 0 GFADRL C/C(=C\COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1)C(=O)[O-] ZINC000825780844 601426688 /nfs/dbraw/zinc/42/66/88/601426688.db2.gz JNKXQUIECIBWCS-SDNWHVSQSA-N -2 0 389.429 2.984 20 0 GFADRL Cc1cc(Br)ncc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000832859456 601576570 /nfs/dbraw/zinc/57/65/70/601576570.db2.gz QCJKXLGSCXUCLO-UHFFFAOYSA-N -2 0 377.241 2.713 20 0 GFADRL Cc1ccc(-n2[n-]c(C(=O)N[C@@H](c3ccccc3)[C@@H](C)C(=O)[O-])cc2=O)cc1 ZINC000832909712 601610581 /nfs/dbraw/zinc/61/05/81/601610581.db2.gz HMWLVYJTMGZDHL-AUUYWEPGSA-N -2 0 379.416 2.666 20 0 GFADRL Cc1ccc(O)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Br)c1 ZINC000756783987 601616665 /nfs/dbraw/zinc/61/66/65/601616665.db2.gz APGLSOVXZUAEDI-UHFFFAOYSA-N -2 0 386.223 2.962 20 0 GFADRL Cc1ccc(-n2[n-]c(C(=O)N[C@@H](C(=O)[O-])c3ccc(Cl)cc3)cc2=O)cc1 ZINC000832910154 601700121 /nfs/dbraw/zinc/70/01/21/601700121.db2.gz QAVBSTLITZYASP-QGZVFWFLSA-N -2 0 385.807 2.683 20 0 GFADRL CC[C@@H](NC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C)ccc1C)C(=O)[O-] ZINC000262556255 601751103 /nfs/dbraw/zinc/75/11/03/601751103.db2.gz YGGSJZZSQBFTMK-OAHLLOKOSA-N -2 0 390.461 2.697 20 0 GFADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1cnccc1-c1cccc(F)c1 ZINC000833345454 601770443 /nfs/dbraw/zinc/77/04/43/601770443.db2.gz BTUVJNCDNKWWJJ-UHFFFAOYSA-N -2 0 379.394 2.843 20 0 GFADRL Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1nc(CCCC(=O)[O-])cs1 ZINC000327164001 601770815 /nfs/dbraw/zinc/77/08/15/601770815.db2.gz QROZMUALIZEESZ-UHFFFAOYSA-N -2 0 385.423 2.568 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)c(Cl)cc1F ZINC000755949547 601831281 /nfs/dbraw/zinc/83/12/81/601831281.db2.gz IJTLRAFPNAVZIT-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL Cc1cc(C)c(-c2cc([N-]S(=O)(=O)c3csnc3C(=O)[O-])n[nH]2)cc1C ZINC000832874953 601831752 /nfs/dbraw/zinc/83/17/52/601831752.db2.gz QVNKNLSTQURDFE-UHFFFAOYSA-N -2 0 392.462 2.957 20 0 GFADRL CCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])cc1 ZINC000828570446 601835523 /nfs/dbraw/zinc/83/55/23/601835523.db2.gz FMCRGUIAKIOCOG-UHFFFAOYSA-N -2 0 383.813 2.583 20 0 GFADRL O=C([O-])c1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc(OC2CCCC2)nc1 ZINC000833344496 601840469 /nfs/dbraw/zinc/84/04/69/601840469.db2.gz ABXKWFLCUPGYPM-UHFFFAOYSA-N -2 0 397.840 2.950 20 0 GFADRL Cc1cc(F)c(S(=O)(=O)[N-]c2nc(CCCC(=O)[O-])cs2)cc1F ZINC000832887342 601885232 /nfs/dbraw/zinc/88/52/32/601885232.db2.gz ROYOEADYLRWEIU-UHFFFAOYSA-N -2 0 376.406 2.938 20 0 GFADRL CCN(CC)C(=O)c1ccc(S(=O)(=O)Nc2cccc(CC(=O)[O-])c2)cc1 ZINC000462104580 601986874 /nfs/dbraw/zinc/98/68/74/601986874.db2.gz RNAVMNVLNKFEQJ-UHFFFAOYSA-N -2 0 390.461 2.597 20 0 GFADRL O=C([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1nnc(-c2ccco2)s1 ZINC000833317887 602102089 /nfs/dbraw/zinc/10/20/89/602102089.db2.gz NWBXYHKLTGZROA-UHFFFAOYSA-N -2 0 385.810 2.951 20 0 GFADRL Cc1c(Cl)cccc1S(=O)(=O)[N-]c1nnc(CCCC(=O)[O-])s1 ZINC000226023747 602103690 /nfs/dbraw/zinc/10/36/90/602103690.db2.gz NNRLQMDWPYGPHP-UHFFFAOYSA-N -2 0 375.859 2.708 20 0 GFADRL O=C([O-])c1nscc1[N-]S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000833346899 602156641 /nfs/dbraw/zinc/15/66/41/602156641.db2.gz RCIKAMRYBRILGX-UHFFFAOYSA-N -2 0 381.204 2.544 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2nnc(CC(F)(F)F)s2)c1C ZINC000832866106 602158924 /nfs/dbraw/zinc/15/89/24/602158924.db2.gz BRCGUZUDRFJCFS-UHFFFAOYSA-N -2 0 395.384 2.759 20 0 GFADRL COc1ccsc1[C@@H]1NC(=O)N(CCCCCC(=O)[O-])C(C)=C1C(=O)[O-] ZINC000832637237 602193316 /nfs/dbraw/zinc/19/33/16/602193316.db2.gz MLACDDIOPWJQNH-CQSZACIVSA-N -2 0 382.438 2.827 20 0 GFADRL COc1cc(OC)c(OC)cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000481624002 602202597 /nfs/dbraw/zinc/20/25/97/602202597.db2.gz NSTODMZYINPPNG-UHFFFAOYSA-N -2 0 381.406 2.520 20 0 GFADRL C[C@@H](NC(=O)c1nn(-c2cc(Cl)c(Cl)cc2Cl)cc1[O-])C(=O)[O-] ZINC000832825130 602273591 /nfs/dbraw/zinc/27/35/91/602273591.db2.gz LWZSEWQSVGBZIP-RXMQYKEDSA-N -2 0 378.599 2.741 20 0 GFADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1cccc(C(=O)CCC(=O)[O-])c1 ZINC000477418564 602308826 /nfs/dbraw/zinc/30/88/26/602308826.db2.gz JRZBSVSLAKZEMD-UHFFFAOYSA-N -2 0 391.401 2.542 20 0 GFADRL COC(=O)c1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)CCCN2C(=O)[O-] ZINC000739789915 602645985 /nfs/dbraw/zinc/64/59/85/602645985.db2.gz WIICSOXXDRVZKF-UHFFFAOYSA-N -2 0 390.417 2.705 20 0 GFADRL Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])cc1C(=O)[O-] ZINC000740148803 602646403 /nfs/dbraw/zinc/64/64/03/602646403.db2.gz XWXAIMHFCCMKIZ-UHFFFAOYSA-N -2 0 390.417 2.925 20 0 GFADRL O=C([O-])Nc1ccc(C(=O)OCC(=O)[N-]OCc2ccccc2)c(Cl)c1 ZINC000740701070 602908186 /nfs/dbraw/zinc/90/81/86/602908186.db2.gz KHGQVPYELOGXRC-UHFFFAOYSA-N -2 0 378.768 2.835 20 0 GFADRL CC(C)(CCC(=O)[N-]S(=O)(=O)c1cc(Cl)sc1Cl)NC(=O)[O-] ZINC000738739658 602925368 /nfs/dbraw/zinc/92/53/68/602925368.db2.gz CQYOJNJVFMATNV-UHFFFAOYSA-N -2 0 389.282 2.686 20 0 GFADRL O=C([O-])N1CCC(NC(=O)c2cc(Br)cc(Cl)c2[O-])CC1 ZINC000738487362 603147515 /nfs/dbraw/zinc/14/75/15/603147515.db2.gz VESHNTBXRYMWGN-UHFFFAOYSA-N -2 0 377.622 2.680 20 0 GFADRL C[C@@H](NC(=O)[O-])c1ccc(NC(=O)c2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000825449467 603193765 /nfs/dbraw/zinc/19/37/65/603193765.db2.gz QWKIPNKORFJOIF-LLVKDONJSA-N -2 0 377.422 2.639 20 0 GFADRL Cc1noc2ncc(S(=O)(=O)[N-]c3ccc([C@@H](C)NC(=O)[O-])cc3)cc12 ZINC000830930242 603401641 /nfs/dbraw/zinc/40/16/41/603401641.db2.gz PFDAHKCOLJKGNQ-SECBINFHSA-N -2 0 376.394 2.661 20 0 GFADRL COc1cc([N-]S(=O)(=O)c2c(C)nn(C(C)C)c2C)ccc1NC(=O)[O-] ZINC000739868942 603420655 /nfs/dbraw/zinc/42/06/55/603420655.db2.gz IKMXNDDJZKSJIH-UHFFFAOYSA-N -2 0 382.442 2.980 20 0 GFADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CCCC[C@@H]2[C@@H](C)NC(=O)[O-])n1 ZINC000830068101 603532947 /nfs/dbraw/zinc/53/29/47/603532947.db2.gz HYLSTVKOZIABMC-IUODEOHRSA-N -2 0 390.415 2.676 20 0 GFADRL O=C([O-])NC[C@H]1CCCN(C(=O)c2cc(Cl)cc(Br)c2[O-])C1 ZINC000832534322 603750334 /nfs/dbraw/zinc/75/03/34/603750334.db2.gz UPTVFBUHLQQMIK-MRVPVSSYSA-N -2 0 391.649 2.928 20 0 GFADRL C[C@H](CC(=O)[N-]S(=O)(=O)/C=C/c1ccccc1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824679951 604394219 /nfs/dbraw/zinc/39/42/19/604394219.db2.gz POZDKRFDXRIHDD-AVWWHXKWSA-N -2 0 380.466 2.520 20 0 GFADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ncc(Br)cc1C ZINC000318133015 604620474 /nfs/dbraw/zinc/62/04/74/604620474.db2.gz SWTQWJJAHCCSRM-UHFFFAOYSA-N -2 0 385.239 2.960 20 0 GFADRL Cc1cc(Br)cnc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000318014553 604620575 /nfs/dbraw/zinc/62/05/75/604620575.db2.gz BQIULCKJDAAIFQ-UHFFFAOYSA-N -2 0 385.239 2.580 20 0 GFADRL COc1c(Cl)cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)cc1Cl ZINC000833726616 604688269 /nfs/dbraw/zinc/68/82/69/604688269.db2.gz FWBRSDGBKUDNTH-UHFFFAOYSA-N -2 0 377.205 2.896 20 0 GFADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)Nc2nc(CCC(=O)[O-])cs2)n1 ZINC000832890626 604721900 /nfs/dbraw/zinc/72/19/00/604721900.db2.gz ZAVCFPCRZDNPJN-UHFFFAOYSA-N -2 0 390.396 2.751 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2n[nH]c(C)c2-c2ccccc2)cc1C(=O)[O-] ZINC000833734438 604757325 /nfs/dbraw/zinc/75/73/25/604757325.db2.gz DWRIPUOUMSQTCY-UHFFFAOYSA-N -2 0 387.417 2.893 20 0 GFADRL O=C([O-])c1cccc(NC2CCN(C(=O)c3n[n-]c4ccccc4c3=O)CC2)c1 ZINC000833332051 604781685 /nfs/dbraw/zinc/78/16/85/604781685.db2.gz LOFFHLQHAKABQF-UHFFFAOYSA-N -2 0 392.415 2.750 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)n(C2CCOCC2)n1 ZINC000832898557 604800824 /nfs/dbraw/zinc/80/08/24/604800824.db2.gz OURHRKNPWMUVEC-UHFFFAOYSA-N -2 0 399.856 2.695 20 0 GFADRL Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3ccc(OCC(=O)[O-])cc3)c2C)o1 ZINC000433598500 604808112 /nfs/dbraw/zinc/80/81/12/604808112.db2.gz FYJWKJULNKAHGS-UHFFFAOYSA-N -2 0 391.405 2.551 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2ccc(SC)cc2)c(OC)c1C(=O)[O-] ZINC000833734804 604860442 /nfs/dbraw/zinc/86/04/42/604860442.db2.gz XQEHZDQXFRIZQY-UHFFFAOYSA-N -2 0 383.447 2.925 20 0 GFADRL CC(C)C[C@@H](OC(=O)c1ccc(S(=O)(=O)[N-]c2nccs2)cc1)C(=O)[O-] ZINC000833481112 604898757 /nfs/dbraw/zinc/89/87/57/604898757.db2.gz SZUWRZGOHPCPHI-CYBMUJFWSA-N -2 0 398.462 2.600 20 0 GFADRL CC[C@H](C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)c1ccc(OC)cc1 ZINC000833636130 605086801 /nfs/dbraw/zinc/08/68/01/605086801.db2.gz IVBOWFGCVVRATH-KRWDZBQOSA-N -2 0 391.445 2.533 20 0 GFADRL CC(C)(C)c1ccc(S(=O)(=O)[N-]C(=O)c2ccc(OCC(=O)[O-])cc2)s1 ZINC000833448788 605121881 /nfs/dbraw/zinc/12/18/81/605121881.db2.gz HNTVUEXLMZRWRN-UHFFFAOYSA-N -2 0 397.474 2.628 20 0 GFADRL CC(=O)N1c2ccc(S(=O)(=O)[N-]c3scc(C(=O)[O-])c3C)cc2C[C@H]1C ZINC000833395283 605125907 /nfs/dbraw/zinc/12/59/07/605125907.db2.gz MKEHXYWZYFYGQF-SECBINFHSA-N -2 0 394.474 2.853 20 0 GFADRL CC(C)CCn1ccc([N-]S(=O)(=O)c2cccc3c2ccnc3C(=O)[O-])n1 ZINC000833485223 605151348 /nfs/dbraw/zinc/15/13/48/605151348.db2.gz HUWQLDQPRAVFEG-UHFFFAOYSA-N -2 0 388.449 2.976 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCCC2)c(C(=O)[O-])c1 ZINC000833751062 605186558 /nfs/dbraw/zinc/18/65/58/605186558.db2.gz NKLJWBXNQPZKCL-UHFFFAOYSA-N -2 0 388.445 2.730 20 0 GFADRL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]c1sc(C)c(C)c1C(=O)[O-] ZINC000833715583 605302377 /nfs/dbraw/zinc/30/23/77/605302377.db2.gz FEGBWBNNJKOMBL-UHFFFAOYSA-N -2 0 387.410 2.790 20 0 GFADRL CC(C)(C)n1cnc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])n1 ZINC000833451967 605342624 /nfs/dbraw/zinc/34/26/24/605342624.db2.gz JSEPBHSVCYJIAV-UHFFFAOYSA-N -2 0 392.359 2.551 20 0 GFADRL CCc1onc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1Br ZINC000134763516 655003189 /nfs/dbraw/zinc/00/31/89/655003189.db2.gz XRPSLEVVCRAHKL-UHFFFAOYSA-N -2 0 395.256 2.868 20 0 GFADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)c(C(=O)[O-])c(F)c1 ZINC000742232344 655712632 /nfs/dbraw/zinc/71/26/32/655712632.db2.gz QWKRURBOEBFQME-UHFFFAOYSA-N -3 0 377.346 2.532 20 0 GFADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cccc1N1CCOC1=O ZINC000743267504 655727692 /nfs/dbraw/zinc/72/76/92/655727692.db2.gz BBRWVUAWIAZOFL-UHFFFAOYSA-N -2 0 382.419 2.512 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2ccc(-n3cncn3)c(Cl)c2)sc1C(=O)[O-] ZINC000749156841 655801241 /nfs/dbraw/zinc/80/12/41/655801241.db2.gz HMZYRANCLLUQBG-UHFFFAOYSA-N -2 0 398.853 2.790 20 0 GFADRL Cc1cc(F)c(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])cc1C(=O)[O-] ZINC000753781250 655858665 /nfs/dbraw/zinc/85/86/65/655858665.db2.gz XVINDYRMQJWTFW-UHFFFAOYSA-N -3 0 387.772 2.985 20 0 GFADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2csc(-c3ccccn3)n2)c1 ZINC000758169508 655925183 /nfs/dbraw/zinc/92/51/83/655925183.db2.gz FWOBUAANGWMXMZ-UHFFFAOYSA-N -2 0 379.394 2.843 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2C[S@@](C)=O)c1F ZINC000762452876 656042508 /nfs/dbraw/zinc/04/25/08/656042508.db2.gz HQWSDLHQOYSEGJ-XMMPIXPASA-N -2 0 385.438 2.512 20 0 GFADRL COCc1ccc([N-]S(=O)(=O)c2cc(OC)c(C(=O)[O-])cc2Cl)cc1 ZINC000766580558 656176894 /nfs/dbraw/zinc/17/68/94/656176894.db2.gz OVTXPALIWKQXIL-UHFFFAOYSA-N -2 0 385.825 2.994 20 0 GFADRL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-]c2cc(O)cc(F)c2)s1 ZINC000769634898 656283655 /nfs/dbraw/zinc/28/36/55/656283655.db2.gz XEAAEHHKSXKJEX-UHFFFAOYSA-N -2 0 396.215 2.854 20 0 GFADRL O=C([O-])c1ccc(C[N-]S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1 ZINC000776437964 656740635 /nfs/dbraw/zinc/74/06/35/656740635.db2.gz PBPVRWWDAMGZOT-UHFFFAOYSA-N -2 0 381.278 2.559 20 0 GFADRL COC[C@H](C)n1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Cl)n1 ZINC000777662298 656831828 /nfs/dbraw/zinc/83/18/28/656831828.db2.gz XANBJMYYPXUZNE-JTQLQIEISA-N -2 0 387.845 2.551 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)c(O)c1 ZINC000785490767 657369060 /nfs/dbraw/zinc/36/90/60/657369060.db2.gz CMNLLODNOVAZDU-UHFFFAOYSA-N -2 0 375.761 2.692 20 0 GFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2cnc(C3CC3)nc2)cc1C(=O)[O-] ZINC000790387590 657966257 /nfs/dbraw/zinc/96/62/57/657966257.db2.gz BFPLPEDZHQVOME-UHFFFAOYSA-N -2 0 383.813 2.515 20 0 GFADRL C[C@@H](NC(=O)c1cc(Br)c([O-])c(Br)c1)[C@H](C)C(=O)[O-] ZINC000909646791 664165753 /nfs/dbraw/zinc/16/57/53/664165753.db2.gz DJHQMVKNPQBLKE-NTSWFWBYSA-N -2 0 395.047 2.756 20 0 GFADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)/C=C\c2csc(C(F)(F)F)c2)C1 ZINC000910183704 664198326 /nfs/dbraw/zinc/19/83/26/664198326.db2.gz NUZAIKQVAMOLKJ-XYQJQTKGSA-N -2 0 377.340 2.557 20 0 GFADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)/C=C\c2ccsc2C(F)(F)F)C1 ZINC000910184033 664198331 /nfs/dbraw/zinc/19/83/31/664198331.db2.gz PLSKVCNIRFWYPR-AXBRGNRRSA-N -2 0 377.340 2.557 20 0 GFADRL CNC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc1Cl ZINC000055677166 551174596 /nfs/dbraw/zinc/17/45/96/551174596.db2.gz BPDKFCMWJDIKAT-UHFFFAOYSA-N -2 0 388.854 2.569 20 0 GFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(F)cc2Br)c(O)c1 ZINC000314733295 563439112 /nfs/dbraw/zinc/43/91/12/563439112.db2.gz NKUANDSLGFBJSU-UHFFFAOYSA-N -2 0 390.186 2.793 20 0 GFADRL O=C([O-])CCc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000326982974 563456600 /nfs/dbraw/zinc/45/66/00/563456600.db2.gz KPUUOUPNQSLTKB-UHFFFAOYSA-N -2 0 383.809 2.856 20 0 GFADRL COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]c1ccc(Cl)c(C(=O)[O-])c1 ZINC000392262347 563526271 /nfs/dbraw/zinc/52/62/71/563526271.db2.gz AMWKOUHMZRJNLR-UHFFFAOYSA-N -2 0 387.797 2.835 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2cnn(C)c2C(F)(F)F)c(C)c1C(=O)[O-] ZINC000436147049 563665135 /nfs/dbraw/zinc/66/51/35/563665135.db2.gz CIHOOEOVUGIFKR-UHFFFAOYSA-N -2 0 377.344 2.555 20 0 GFADRL COc1cc([N-]S(=O)(=O)c2cc(OC)c(C(=O)[O-])cc2Cl)ccc1F ZINC000436162928 563665453 /nfs/dbraw/zinc/66/54/53/563665453.db2.gz PQVMWXAAIHVICY-UHFFFAOYSA-N -2 0 389.788 2.995 20 0 GFADRL COC(=O)c1scc(C)c1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000436168833 563666474 /nfs/dbraw/zinc/66/64/74/563666474.db2.gz GEKKKDJVWRRDSN-UHFFFAOYSA-N -2 0 375.449 2.712 20 0 GFADRL COC(=O)c1scc(C)c1[N-]S(=O)(=O)c1cc(C)c(C)c(C(=O)[O-])c1 ZINC000436200539 563667929 /nfs/dbraw/zinc/66/79/29/563667929.db2.gz SEUWGPUQGWIYSY-UHFFFAOYSA-N -2 0 383.447 2.959 20 0 GFADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)c1O ZINC000436946094 563686065 /nfs/dbraw/zinc/68/60/65/563686065.db2.gz CPTQWGMUDFGRIS-UHFFFAOYSA-N -2 0 375.324 2.996 20 0 GFADRL CC(=O)Nc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000438759515 563710205 /nfs/dbraw/zinc/71/02/05/563710205.db2.gz RXGQIWZOASFIGR-UHFFFAOYSA-N -2 0 386.788 2.937 20 0 GFADRL COC(=O)[C@H](C)c1cccc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c1 ZINC000414397551 563733587 /nfs/dbraw/zinc/73/35/87/563733587.db2.gz RROPHZVGWOJRDY-SNVBAGLBSA-N -2 0 383.447 2.832 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2O)cs1 ZINC000442857657 563782295 /nfs/dbraw/zinc/78/22/95/563782295.db2.gz TZDRLTOXUIUWSV-UHFFFAOYSA-N -2 0 383.325 2.851 20 0 GFADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)cc1F ZINC000446150155 563859498 /nfs/dbraw/zinc/85/94/98/563859498.db2.gz UIEGLYMGTKMPRC-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL COC(=O)c1cccc(Cl)c1S(=O)(=O)[N-]c1cc(C)cc(C(=O)[O-])c1 ZINC000507642396 564237097 /nfs/dbraw/zinc/23/70/97/564237097.db2.gz BWRLTNHHJJUGTG-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2cc(Br)ccc2O)c1 ZINC000564551722 564238642 /nfs/dbraw/zinc/23/86/42/564238642.db2.gz HPGRVWDBOZFETR-UHFFFAOYSA-N -2 0 386.223 2.583 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2[N-]S(C)(=O)=O)sc1C ZINC000540217971 564242875 /nfs/dbraw/zinc/24/28/75/564242875.db2.gz WMJOYIALYYUURH-UHFFFAOYSA-N -2 0 378.472 2.676 20 0 GFADRL COC1(CS(=O)(=O)Nc2ccc(Br)cc2C(=O)[O-])CCCC1 ZINC000565687876 564290902 /nfs/dbraw/zinc/29/09/02/564290902.db2.gz POUVKYMTACTXQZ-UHFFFAOYSA-N -2 0 392.271 2.848 20 0 GFADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cccc2c1OCCO2 ZINC000509544401 564303192 /nfs/dbraw/zinc/30/31/92/564303192.db2.gz WUYXAKHRDBYKOP-UHFFFAOYSA-N -2 0 381.431 2.679 20 0 GFADRL CNC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C ZINC000476292075 564333310 /nfs/dbraw/zinc/33/33/10/564333310.db2.gz YFCRNLDSGQSVGR-UHFFFAOYSA-N -2 0 382.825 2.507 20 0 GFADRL COC(=O)Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)[O-])s1 ZINC000567968410 564398624 /nfs/dbraw/zinc/39/86/24/564398624.db2.gz GXGXIUXNPICNGI-UHFFFAOYSA-N -2 0 389.838 2.616 20 0 GFADRL COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(C)c(C(=O)[O-])c1 ZINC000512781271 564410515 /nfs/dbraw/zinc/41/05/15/564410515.db2.gz OQUSVDLGICEHBO-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL O=C([O-])[C@H](Cc1c(F)cccc1Cl)[N-]S(=O)(=O)c1c(F)cccc1F ZINC000547589189 564499482 /nfs/dbraw/zinc/49/94/82/564499482.db2.gz OUXMFMGJTJKJKB-ZDUSSCGKSA-N -2 0 393.770 2.732 20 0 GFADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)Cc2ccccc2Cl)c1OC ZINC000547611959 564502372 /nfs/dbraw/zinc/50/23/72/564502372.db2.gz MVXMQLNKLCDDIN-UHFFFAOYSA-N -2 0 385.825 2.997 20 0 GFADRL N#Cc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C(=O)[O-])c(Cl)c1 ZINC000547615793 564503219 /nfs/dbraw/zinc/50/32/19/564503219.db2.gz UMTAVHSAUXDXIL-UHFFFAOYSA-N -2 0 381.753 2.619 20 0 GFADRL COC(=O)c1cc(C)ccc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1Cl ZINC000547893127 564516983 /nfs/dbraw/zinc/51/69/83/564516983.db2.gz YOZCCEIXRCYXDX-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL CC[C@@H](C)CS(=O)(=O)[N-]c1c(OC)ccc(Br)c1C(=O)[O-] ZINC000547932002 564522456 /nfs/dbraw/zinc/52/24/56/564522456.db2.gz RWVJIRVIGKNKSD-MRVPVSSYSA-N -2 0 380.260 2.944 20 0 GFADRL COC(=O)c1scc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000548031217 564529245 /nfs/dbraw/zinc/52/92/45/564529245.db2.gz LERNDVHKVPWWBW-UHFFFAOYSA-N -2 0 375.449 2.712 20 0 GFADRL C[C@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000548221086 564538368 /nfs/dbraw/zinc/53/83/68/564538368.db2.gz OODATOVQJAGBTR-AAEUAGOBSA-N -2 0 398.225 2.649 20 0 GFADRL CCOC[C@H](C)CS(=O)(=O)[N-][C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000572998763 564618816 /nfs/dbraw/zinc/61/88/16/564618816.db2.gz QABMGIYDCFICGF-GXFFZTMASA-N -2 0 383.388 2.580 20 0 GFADRL Cc1cc(C)c(C(=O)[O-])c([N-]S(=O)(=O)c2cc(C(F)(F)F)nn2C)c1 ZINC000530135375 564865692 /nfs/dbraw/zinc/86/56/92/564865692.db2.gz UYZUPUFFMIXQQV-UHFFFAOYSA-N -2 0 377.344 2.555 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2cccnc2OCC(F)F)sc1C(=O)[O-] ZINC000498484274 564899503 /nfs/dbraw/zinc/89/95/03/564899503.db2.gz MPBKCGWQEBDOOS-UHFFFAOYSA-N -2 0 378.378 2.594 20 0 GFADRL COc1cc(S(=O)(=O)[N-]c2scnc2C2CC2)cc(C(=O)[O-])c1OC ZINC000534237191 564983118 /nfs/dbraw/zinc/98/31/18/564983118.db2.gz MBCGQEJBZWCJBP-UHFFFAOYSA-N -2 0 384.435 2.537 20 0 GFADRL O=C(COCC(=O)Nc1cccc(Cl)c1[O-])Nc1cccc(Cl)c1[O-] ZINC000536211900 565031933 /nfs/dbraw/zinc/03/19/33/565031933.db2.gz DCGGVCZVIBRGQP-UHFFFAOYSA-N -2 0 385.203 2.998 20 0 GFADRL O=C([O-])CCOc1ccc([N-]S(=O)(=O)c2cnc3ccsc3c2)cc1 ZINC000504507073 565041322 /nfs/dbraw/zinc/04/13/22/565041322.db2.gz GFEALQHIJNUMBN-UHFFFAOYSA-N -2 0 378.431 2.951 20 0 GFADRL CC(C)(C)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2ncnn2c1 ZINC000649678000 565772714 /nfs/dbraw/zinc/77/27/14/565772714.db2.gz WJZRNHAEUAZSOY-UHFFFAOYSA-N -2 0 380.451 2.587 20 0 GFADRL COCCOc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cc(C)sc1C ZINC000629323511 565842586 /nfs/dbraw/zinc/84/25/86/565842586.db2.gz GKXRKXDNMFBOHH-UHFFFAOYSA-N -2 0 385.463 2.889 20 0 GFADRL C[C@@H]1CC(=O)N(C)c2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)cc21 ZINC000629332348 565845010 /nfs/dbraw/zinc/84/50/10/565845010.db2.gz HPOBCBJATMOFJS-SECBINFHSA-N -2 0 380.447 2.717 20 0 GFADRL C[C@H]1CN(C(=O)N=c2nc(-c3cccc(Cl)c3)[n-]s2)CC[C@H]1C(=O)[O-] ZINC000630565544 565910084 /nfs/dbraw/zinc/91/00/84/565910084.db2.gz IPLFHBZWRXBAIA-JOYOIKCWSA-N -2 0 380.857 2.855 20 0 GFADRL CC(C)c1nc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2Br)c[nH]1 ZINC000677759263 565983320 /nfs/dbraw/zinc/98/33/20/565983320.db2.gz YKWSAFXMHDWNHM-UHFFFAOYSA-N -2 0 388.243 2.795 20 0 GFADRL COC(=O)c1csc(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])c1 ZINC000609984797 566060473 /nfs/dbraw/zinc/06/04/73/566060473.db2.gz FRJBRARQKLIEMS-UHFFFAOYSA-N -2 0 375.811 2.687 20 0 GFADRL O=c1cc(C2CCC2)[n-]n1-c1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000634617410 566160332 /nfs/dbraw/zinc/16/03/32/566160332.db2.gz NYPTXIXKQCOXFY-UHFFFAOYSA-N -2 0 376.463 2.837 20 0 GFADRL CC(=O)Nc1nc(C)c(S(=O)(=O)[N-]c2cc(C)c(C)cc2C(=O)[O-])s1 ZINC000684536276 566238019 /nfs/dbraw/zinc/23/80/19/566238019.db2.gz TVJXFURJAVSXMU-UHFFFAOYSA-N -2 0 383.451 2.526 20 0 GFADRL O=C([O-])C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)[O-])c2)c2ccccc2S1 ZINC000739648633 599753580 /nfs/dbraw/zinc/75/35/80/599753580.db2.gz RUIBOEMUANTVIX-GFCCVEGCSA-N -2 0 393.442 2.529 20 0 GFADRL CCNC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000477390199 599906002 /nfs/dbraw/zinc/90/60/02/599906002.db2.gz DDTJJRKJSDUEFJ-UHFFFAOYSA-N -2 0 396.852 2.897 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])ccc1C(=O)NC(C)C ZINC000738463452 599908744 /nfs/dbraw/zinc/90/87/44/599908744.db2.gz DSESZBFFJAGHTD-UHFFFAOYSA-N -2 0 382.463 2.694 20 0 GFADRL O=C([O-])c1cc([N-]S(=O)(=O)c2c(Cl)nc3sccn32)ccc1F ZINC000321550415 599923711 /nfs/dbraw/zinc/92/37/11/599923711.db2.gz DWXJDMHOWPNXSI-UHFFFAOYSA-N -2 0 375.790 2.687 20 0 GFADRL COC(=O)c1c(C)c(C(=O)[O-])sc1S(=O)(=O)[N-]c1cccc2[nH]ccc21 ZINC000737652698 599926640 /nfs/dbraw/zinc/92/66/40/599926640.db2.gz WCTHRZHNXPOCOE-UHFFFAOYSA-N -2 0 394.430 2.823 20 0 GFADRL COc1c(C)cc([C@@H]2NC(=O)N(CCCCC(=O)[O-])C(C)=C2C(=O)[O-])cc1C ZINC000737839231 599989518 /nfs/dbraw/zinc/98/95/18/599989518.db2.gz GVJCYOPECSRKHR-KRWDZBQOSA-N -2 0 390.436 2.992 20 0 GFADRL O=C([O-])c1cc(C(F)(F)F)cc(S(=O)(=O)[N-]C(=O)c2ccccc2F)c1 ZINC000740074045 600044884 /nfs/dbraw/zinc/04/48/84/600044884.db2.gz FDBVGUHVGXKJMV-UHFFFAOYSA-N -2 0 391.298 2.661 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])n(-c2ccccc2)n1 ZINC000738461396 600052470 /nfs/dbraw/zinc/05/24/70/600052470.db2.gz AYIIMBMDSHPBAR-UHFFFAOYSA-N -2 0 375.406 2.890 20 0 GFADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(CSC)c1 ZINC000737686867 600053223 /nfs/dbraw/zinc/05/32/23/600053223.db2.gz AEICLTNVENLXKT-UHFFFAOYSA-N -2 0 395.458 2.835 20 0 GFADRL Cc1oc(C)c(S(=O)(=O)[N-]c2nc(CN3CCCCC3)cs2)c1C(=O)[O-] ZINC000738970328 600054286 /nfs/dbraw/zinc/05/42/86/600054286.db2.gz VGUNVQRGBOYBTA-UHFFFAOYSA-N -2 0 399.494 2.838 20 0 GFADRL COc1cc(/C=C\C(=O)[O-])cc(S(=O)(=O)[N-]c2nc(C)c(C)s2)c1OC ZINC000737874565 600054425 /nfs/dbraw/zinc/05/44/25/600054425.db2.gz WOVORIFZBJSTQE-WAYWQWQTSA-N -2 0 398.462 2.676 20 0 GFADRL Cc1nc([N-]S(=O)(=O)c2cccc(Br)c2)sc1C(=O)[O-] ZINC000738364073 600054652 /nfs/dbraw/zinc/05/46/52/600054652.db2.gz UCQKBMRNUDXEBN-UHFFFAOYSA-N -2 0 377.241 2.713 20 0 GFADRL O=C([O-])c1ccc(N2CCCC2)c([N-]S(=O)(=O)c2ccc(Cl)nc2)c1 ZINC000740146918 600104450 /nfs/dbraw/zinc/10/44/50/600104450.db2.gz XEFJBAXUOSPXKV-UHFFFAOYSA-N -2 0 381.841 2.834 20 0 GFADRL Cn1ccnc1Sc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000739047336 600179264 /nfs/dbraw/zinc/17/92/64/600179264.db2.gz FSAVZVRBXMLHKI-UHFFFAOYSA-N -2 0 397.409 2.802 20 0 GFADRL Cn1c(=O)c2ccc(C(=O)Nc3cc(Cl)cc(C(=O)[O-])c3)cc2[n-]c1=S ZINC000739013176 600203512 /nfs/dbraw/zinc/20/35/12/600203512.db2.gz BUTWKDZQKLSDKF-UHFFFAOYSA-N -2 0 389.820 2.826 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2)c(F)cc1F ZINC000740089323 600232810 /nfs/dbraw/zinc/23/28/10/600232810.db2.gz DUZRHZZSIGPUHP-UHFFFAOYSA-N -2 0 379.344 2.650 20 0 GFADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc3oc(C(C)(C)C)nc3c2)c1C(=O)[O-] ZINC000738828306 600232825 /nfs/dbraw/zinc/23/28/25/600232825.db2.gz WWPBHHDQLJFENK-UHFFFAOYSA-N -2 0 378.410 2.656 20 0 GFADRL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2ccn(C)c2c1 ZINC000737719385 600243558 /nfs/dbraw/zinc/24/35/58/600243558.db2.gz YRRYHHPDGMYXTQ-UHFFFAOYSA-N -2 0 394.430 2.525 20 0 GFADRL Cc1cc(Cl)c(NS(=O)(=O)c2ccsc2C(=O)[O-])c(C(=O)[O-])c1 ZINC000738399330 600243810 /nfs/dbraw/zinc/24/38/10/600243810.db2.gz MLMNYSAKSGZYFV-UHFFFAOYSA-N -2 0 375.811 2.907 20 0 GFADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccc(N3CCO[C@@H](C)C3)cc2)c1C(=O)[O-] ZINC000738969153 600256713 /nfs/dbraw/zinc/25/67/13/600256713.db2.gz IELIDMKTNDJXFW-NSHDSACASA-N -2 0 394.449 2.621 20 0 GFADRL COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(CNC(=O)[O-])cc1 ZINC000737691029 600302179 /nfs/dbraw/zinc/30/21/79/600302179.db2.gz IDXOHJCSXWUDLZ-UHFFFAOYSA-N -2 0 398.824 2.695 20 0 GFADRL O=C([O-])c1cc(Br)cc(S(=O)(=O)[N-]c2ccc(Cl)cn2)c1 ZINC000740068530 600361213 /nfs/dbraw/zinc/36/12/13/600361213.db2.gz KMLAERXGAOSQNM-UHFFFAOYSA-N -2 0 391.630 2.997 20 0 GFADRL CCOC(=O)Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC000737143508 600395966 /nfs/dbraw/zinc/39/59/66/600395966.db2.gz YHKBSUHLISPLKM-UHFFFAOYSA-N -2 0 397.836 2.945 20 0 GFADRL O=C([O-])c1sc2ccccc2c1S(=O)(=O)[N-]c1nc2c(s1)COCC2 ZINC000740280407 600473597 /nfs/dbraw/zinc/47/35/97/600473597.db2.gz LGGWSYPRZOPXOT-UHFFFAOYSA-N -2 0 396.471 2.930 20 0 GFADRL O=C([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1cnn(CC(F)(F)F)c1 ZINC000740140449 600482566 /nfs/dbraw/zinc/48/25/66/600482566.db2.gz HQUXIZSPGAQLQA-UHFFFAOYSA-N -2 0 383.735 2.598 20 0 GFADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2cccc(Sc3ccccc3)c2)cn1 ZINC000833274060 600682041 /nfs/dbraw/zinc/68/20/41/600682041.db2.gz NHUCSZYEIVFPGL-UHFFFAOYSA-N -2 0 389.458 2.920 20 0 GFADRL O=C([O-])CCCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1 ZINC000833227855 600682593 /nfs/dbraw/zinc/68/25/93/600682593.db2.gz SVMYJNCLPFYNME-UHFFFAOYSA-N -3 0 397.380 2.568 20 0 GFADRL CCc1c([O-])nc(SC/C=C(/C)C(=O)[O-])n(-c2ccc(OC)cc2)c1=O ZINC000830208869 600728712 /nfs/dbraw/zinc/72/87/12/600728712.db2.gz BGZLKFZKEGYOEQ-LUAWRHEFSA-N -2 0 376.434 2.632 20 0 GFADRL COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2cc(C)c(C(=O)[O-])s2)c1 ZINC000737654396 600888076 /nfs/dbraw/zinc/88/80/76/600888076.db2.gz SNRFFAWUCPXMHD-UHFFFAOYSA-N -2 0 389.838 2.996 20 0 GFADRL CC(C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000736477969 600889548 /nfs/dbraw/zinc/88/95/48/600889548.db2.gz QFZJAWAAMOGYAW-UHFFFAOYSA-N -2 0 396.852 2.977 20 0 GFADRL CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000829009787 600943469 /nfs/dbraw/zinc/94/34/69/600943469.db2.gz QFAKLQYMNVWXHP-BJJXKVORSA-N -2 0 383.466 2.564 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2c3c(nn2-c2ccccc2)CCC3)cs1 ZINC000833304049 600977346 /nfs/dbraw/zinc/97/73/46/600977346.db2.gz MXEKNCQOWDEXLM-UHFFFAOYSA-N -2 0 389.458 2.922 20 0 GFADRL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000462103151 601116506 /nfs/dbraw/zinc/11/65/06/601116506.db2.gz QFNAVDCTTAXTRH-UHFFFAOYSA-N -3 0 397.380 2.730 20 0 GFADRL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccc(Br)cc1O ZINC000740146753 601117127 /nfs/dbraw/zinc/11/71/27/601117127.db2.gz UZQBVNNEUKJWAU-UHFFFAOYSA-N -2 0 390.186 2.793 20 0 GFADRL Cc1cc(C)c(S(=O)(=O)N(CCC(=O)[O-])c2cccc(F)c2)cc1C(=O)[O-] ZINC000738358741 601118275 /nfs/dbraw/zinc/11/82/75/601118275.db2.gz PTUUOPOINMWUCW-UHFFFAOYSA-N -2 0 395.408 2.811 20 0 GFADRL CC[C@H](C)Oc1ccc(C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])cc1 ZINC000828764811 601141400 /nfs/dbraw/zinc/14/14/00/601141400.db2.gz NVWXOWAIVYZUFI-JTQLQIEISA-N -2 0 383.447 2.742 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc(N2CCCCC2)nc1 ZINC000831946319 601201034 /nfs/dbraw/zinc/20/10/34/601201034.db2.gz TYMUEGLHZJXSRI-UHFFFAOYSA-N -2 0 397.478 2.641 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc(-c2csnn2)cc1 ZINC000831946257 601203050 /nfs/dbraw/zinc/20/30/50/601203050.db2.gz QEQBUDSZGNCEJF-UHFFFAOYSA-N -2 0 397.459 2.774 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1O ZINC000831944904 601204684 /nfs/dbraw/zinc/20/46/84/601204684.db2.gz BHCVTNOVWGQLAN-UHFFFAOYSA-N -2 0 397.352 2.980 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc([S@@](=O)C(F)(F)F)cc2)s1 ZINC000833323341 601251295 /nfs/dbraw/zinc/25/12/95/601251295.db2.gz DICIFQOEFRGLLH-HSZRJFAPSA-N -2 0 399.393 2.875 20 0 GFADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])n1 ZINC000832888980 601279955 /nfs/dbraw/zinc/27/99/55/601279955.db2.gz AKZRCXVWLWCGRR-KRWDZBQOSA-N -2 0 395.390 2.677 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)cn1 ZINC000319925879 601318225 /nfs/dbraw/zinc/31/82/25/601318225.db2.gz CBIYYYQGUQQIOA-UHFFFAOYSA-N -2 0 377.205 2.896 20 0 GFADRL CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)cc1OC ZINC000013066965 601318544 /nfs/dbraw/zinc/31/85/44/601318544.db2.gz GFYDMOFBNKYZDB-UHFFFAOYSA-N -2 0 381.406 2.602 20 0 GFADRL CNC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000615947980 601323415 /nfs/dbraw/zinc/32/34/15/601323415.db2.gz UCQTVAXECRGBSI-UHFFFAOYSA-N -2 0 396.852 2.815 20 0 GFADRL Cn1c([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)nc2cc(F)ccc21 ZINC000833039408 601362167 /nfs/dbraw/zinc/36/21/67/601362167.db2.gz JXZMEVRAPBBXBU-WTKPLQERSA-N -2 0 375.381 2.611 20 0 GFADRL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1nc(C(C)(C)C)c(C(=O)[O-])s1 ZINC000833014556 601363236 /nfs/dbraw/zinc/36/32/36/601363236.db2.gz RGZKQSGZWQRAFO-UHFFFAOYSA-N -2 0 392.890 2.635 20 0 GFADRL COc1c(F)cc([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])cc1F ZINC000831852263 601383976 /nfs/dbraw/zinc/38/39/76/601383976.db2.gz UXXLRCOBPZEKAM-UHFFFAOYSA-N -2 0 378.740 2.521 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2cc(C)c(Br)cn2)cc1C(=O)[O-] ZINC000317328878 601395904 /nfs/dbraw/zinc/39/59/04/601395904.db2.gz CTRSOJAYGZUIET-UHFFFAOYSA-N -2 0 385.239 2.960 20 0 GFADRL CC[C@](C)(CC(=O)[O-])NC(=O)c1ccc([N-]S(=O)(=O)C(F)(F)F)c(C)c1 ZINC000767051329 601472322 /nfs/dbraw/zinc/47/23/22/601472322.db2.gz PQVFSBPVPITPQZ-CQSZACIVSA-N -2 0 396.387 2.630 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2csnc2C(=O)[O-])ccc1OCC(F)(F)F ZINC000832898905 601484137 /nfs/dbraw/zinc/48/41/37/601484137.db2.gz LZQJMYLFKYYGFE-UHFFFAOYSA-N -2 0 396.368 2.892 20 0 GFADRL Cc1nc(CC(C)C)c(C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)s1 ZINC000832998175 601598653 /nfs/dbraw/zinc/59/86/53/601598653.db2.gz HQINLXNLJDYUDD-UHFFFAOYSA-N -2 0 396.490 2.608 20 0 GFADRL CC1CCN(c2ccc([N-]S(=O)(=O)c3csnc3C(=O)[O-])cc2)CC1 ZINC000828302874 601768991 /nfs/dbraw/zinc/76/89/91/601768991.db2.gz KMVGEPREVGVEBA-UHFFFAOYSA-N -2 0 381.479 2.878 20 0 GFADRL COc1cc(C)c(S(=O)(=O)[N-]c2nc(CCCC(=O)[O-])cs2)c(C)c1 ZINC000327178094 601770899 /nfs/dbraw/zinc/77/08/99/601770899.db2.gz VCJZZVYQYJCLEX-UHFFFAOYSA-N -2 0 384.479 2.977 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C)c(C(=O)[O-])s2)ccc1Cl ZINC000831348422 601827897 /nfs/dbraw/zinc/82/78/97/601827897.db2.gz LOTZSDFDHLTZFR-UHFFFAOYSA-N -2 0 389.838 2.996 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2N2CCCC2=O)cc(F)c1F ZINC000751147983 601832016 /nfs/dbraw/zinc/83/20/16/601832016.db2.gz ZMUJYQWOUHMLSU-UHFFFAOYSA-N -2 0 396.371 2.591 20 0 GFADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1cccc(OCC(F)(F)F)c1 ZINC000833346004 601834941 /nfs/dbraw/zinc/83/49/41/601834941.db2.gz JKDWLMJMURPXIN-UHFFFAOYSA-N -2 0 382.341 2.583 20 0 GFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])cc1Cl ZINC000833320728 601838270 /nfs/dbraw/zinc/83/82/70/601838270.db2.gz CHPOHJSXPQSJEO-UHFFFAOYSA-N -3 0 391.188 2.586 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(Br)n2)ccc1Cl ZINC000833306001 601844020 /nfs/dbraw/zinc/84/40/20/601844020.db2.gz DJYSRWSCSHBKIU-UHFFFAOYSA-N -2 0 391.630 2.997 20 0 GFADRL CC(C)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Br)n[nH]1 ZINC000317514317 601850595 /nfs/dbraw/zinc/85/05/95/601850595.db2.gz QSEBPUFYNYJKKT-UHFFFAOYSA-N -2 0 388.243 2.795 20 0 GFADRL CCC[C@H](C)c1cc([N-]S(=O)(=O)c2cc(C(=O)OC)ccc2C(=O)[O-])n[nH]1 ZINC000829216033 601861818 /nfs/dbraw/zinc/86/18/18/601861818.db2.gz IPGSMHZKFXJVDH-JTQLQIEISA-N -2 0 395.437 2.599 20 0 GFADRL CC(=O)N1c2ccc(S(=O)(=O)[N-]c3cc(C(=O)[O-])cs3)cc2C[C@@H]1C ZINC000825855221 602117176 /nfs/dbraw/zinc/11/71/76/602117176.db2.gz WMKNTQLNMMNQSV-VIFPVBQESA-N -2 0 380.447 2.545 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2c(C)ccnc2Br)cc1C(=O)[O-] ZINC000832983207 602214003 /nfs/dbraw/zinc/21/40/03/602214003.db2.gz OTMUTWCXWOOCRP-UHFFFAOYSA-N -2 0 375.200 2.553 20 0 GFADRL O=C([O-])N1CCCc2cc(NC(=O)c3ccc(-c4nc(=O)o[n-]4)cc3)ccc21 ZINC000740465485 602592073 /nfs/dbraw/zinc/59/20/73/602592073.db2.gz QLJDTEYKMKDRSV-UHFFFAOYSA-N -2 0 380.360 2.713 20 0 GFADRL COc1ccc(NC(=O)[O-])c([N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)c1 ZINC000739923663 602652162 /nfs/dbraw/zinc/65/21/62/602652162.db2.gz KUUQDCXYXZKJDC-UHFFFAOYSA-N -2 0 388.405 2.772 20 0 GFADRL O=C([O-])N[C@H](CCC(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1)c1ccccc1 ZINC000740541407 602670297 /nfs/dbraw/zinc/67/02/97/602670297.db2.gz YLTKEAJYLWYRLQ-MRXNPFEDSA-N -2 0 394.424 2.561 20 0 GFADRL C[C@H](C(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823711913 602805842 /nfs/dbraw/zinc/80/58/42/602805842.db2.gz GGCXLWFAARAIQI-NHYWBVRUSA-N -2 0 382.376 2.613 20 0 GFADRL C[C@H](C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823712144 602822388 /nfs/dbraw/zinc/82/23/88/602822388.db2.gz GRFYSWXBMAUUGK-XHDPSFHLSA-N -2 0 382.376 2.613 20 0 GFADRL COc1cccc(S(=O)(=O)[N-]C(=O)c2ccc(NC(=O)[O-])cc2Cl)c1 ZINC000739953341 602962089 /nfs/dbraw/zinc/96/20/89/602962089.db2.gz AGYZPYABSPNCDD-UHFFFAOYSA-N -2 0 384.797 2.557 20 0 GFADRL Cc1ccc(-n2[n-]c(C(=O)NCC3(NC(=O)[O-])CCCCCC3)cc2=O)cc1 ZINC000740102477 603086064 /nfs/dbraw/zinc/08/60/64/603086064.db2.gz NTPUYJHTJOHYPV-UHFFFAOYSA-N -2 0 386.452 2.564 20 0 GFADRL COc1ccccc1-n1cc(S(=O)(=O)[N-]c2ccccc2NC(=O)[O-])cn1 ZINC000829585564 603241800 /nfs/dbraw/zinc/24/18/00/603241800.db2.gz CNSISIUZQARFGQ-UHFFFAOYSA-N -2 0 388.405 2.772 20 0 GFADRL CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(C)c(NC(=O)[O-])c2)c1 ZINC000827488613 603433268 /nfs/dbraw/zinc/43/32/68/603433268.db2.gz LBJPYAFPDYPPEB-UHFFFAOYSA-N -2 0 378.406 2.836 20 0 GFADRL O=C([O-])N(CC1CC1)C1CCN(Cn2[nH]c(-c3ccccn3)nc2=S)CC1 ZINC000831825826 603495083 /nfs/dbraw/zinc/49/50/83/603495083.db2.gz FKSHZXDYZBQAIS-UHFFFAOYSA-N -2 0 388.497 2.815 20 0 GFADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CCC(CNC(=O)[O-])CC3)n2)cc1 ZINC000824464901 603537426 /nfs/dbraw/zinc/53/74/26/603537426.db2.gz XBUHIIMGIHVDIP-UHFFFAOYSA-N -2 0 386.452 2.821 20 0 GFADRL COc1ccccc1[C@H](CNC(=O)c1ccc2[n-]c(=S)oc2c1)NC(=O)[O-] ZINC000829598678 603671797 /nfs/dbraw/zinc/67/17/97/603671797.db2.gz QKTOGZXCFIJUDD-ZDUSSCGKSA-N -2 0 387.417 2.864 20 0 GFADRL CN(C[C@H]1CCCN(C(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])C1)C(=O)[O-] ZINC000828181676 603748524 /nfs/dbraw/zinc/74/85/24/603748524.db2.gz VOKYGRLQGOWDTR-GFCCVEGCSA-N -2 0 392.843 2.693 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@@H](C)[C@@H]2CCCN(C(=O)[O-])C2)cc1C ZINC000830414849 604394742 /nfs/dbraw/zinc/39/47/42/604394742.db2.gz NUCHECFTEARDOP-HUUCEWRRSA-N -2 0 382.482 2.525 20 0 GFADRL Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)C[C@@H](C)[C@@H]2CCCN(C(=O)[O-])C2)c1 ZINC000830276063 604394780 /nfs/dbraw/zinc/39/47/80/604394780.db2.gz ZJRTXKIOAWLOGP-HUUCEWRRSA-N -2 0 382.482 2.525 20 0 GFADRL CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2nc(CCC(=O)[O-])cs2)cc1 ZINC000829523013 604624059 /nfs/dbraw/zinc/62/40/59/604624059.db2.gz OJEKGSDCKKXVBO-UHFFFAOYSA-N -2 0 398.462 2.528 20 0 GFADRL CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2OC)cc1F ZINC000833663159 604861318 /nfs/dbraw/zinc/86/13/18/604861318.db2.gz QUPQGWLSZLEQDV-UHFFFAOYSA-N -2 0 399.396 2.741 20 0 GFADRL C[C@@H](C1CC1)n1nccc1[N-]S(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC000833515387 605123931 /nfs/dbraw/zinc/12/39/31/605123931.db2.gz GNVIKHIBPFNPJX-LBPRGKRZSA-N -2 0 375.450 2.771 20 0 GFADRL CCCCn1ncc([N-]S(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)c1C ZINC000833651734 605124949 /nfs/dbraw/zinc/12/49/49/605124949.db2.gz XQFFXDMRVZLJLG-UHFFFAOYSA-N -2 0 377.466 2.909 20 0 GFADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)ccc1Br ZINC000833729810 605188257 /nfs/dbraw/zinc/18/82/57/605188257.db2.gz PFTAXICWNJBCGI-UHFFFAOYSA-N -2 0 376.184 2.550 20 0 GFADRL CC(C)(NC(=O)c1cc(Br)c([O-])c(Br)c1)C(=O)[O-] ZINC000833460312 605748051 /nfs/dbraw/zinc/74/80/51/605748051.db2.gz ADHYBWDXMHXABU-UHFFFAOYSA-N -2 0 381.020 2.510 20 0 GFADRL CC(C)Oc1ccc(S(=O)(=O)[N-]c2nc3c(cccc3C(=O)[O-])[nH]2)cc1 ZINC000833506447 605783247 /nfs/dbraw/zinc/78/32/47/605783247.db2.gz BYJOACBVMSZQCA-UHFFFAOYSA-N -2 0 375.406 2.849 20 0 GFADRL O=C([O-])COc1cccc(CNC(=O)c2ccc(NC(=O)[O-])cc2Cl)c1 ZINC000834064626 606062322 /nfs/dbraw/zinc/06/23/22/606062322.db2.gz CYXGRZQMIFZLDB-UHFFFAOYSA-N -2 0 378.768 2.823 20 0 GFADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3)c1 ZINC000032087605 654599794 /nfs/dbraw/zinc/59/97/94/654599794.db2.gz KQOZQBYCOITVJR-UHFFFAOYSA-N -2 0 380.809 2.724 20 0 GFADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)c(C#N)c1 ZINC000057116759 654800973 /nfs/dbraw/zinc/80/09/73/654800973.db2.gz XCLRDVJDRBQPQD-UHFFFAOYSA-N -2 0 380.809 2.648 20 0 GFADRL COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)ccc1F ZINC000327948156 655386685 /nfs/dbraw/zinc/38/66/85/655386685.db2.gz RHONGTMPIPXNTR-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2ccc(O[C@H]3CCOC3)cc2)sc1C(=O)[O-] ZINC000265724845 655489250 /nfs/dbraw/zinc/48/92/50/655489250.db2.gz ONAPMJRZAWIESB-ZDUSSCGKSA-N -2 0 383.447 2.723 20 0 GFADRL O=C([O-])[C@@H](CCSc1ccccc1)[N-]S(=O)(=O)c1c(F)cccc1F ZINC000579173780 655495257 /nfs/dbraw/zinc/49/52/57/655495257.db2.gz DWPDXJBZHQZQGE-CQSZACIVSA-N -2 0 387.429 2.879 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])c1Cl ZINC000753775475 655858311 /nfs/dbraw/zinc/85/83/11/655858311.db2.gz KEKFNZGKKFGZAN-UHFFFAOYSA-N -3 0 387.772 2.985 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2[C@H](O)C(F)(F)F)cs1 ZINC000758166028 655924947 /nfs/dbraw/zinc/92/49/47/655924947.db2.gz RPJKNQUBERPSGB-NSHDSACASA-N -2 0 381.353 2.843 20 0 GFADRL COc1cc(OC)c([N-]S(=O)(=O)c2ccc(C)nc2Cl)c(C(=O)[O-])c1 ZINC000769651730 656284276 /nfs/dbraw/zinc/28/42/76/656284276.db2.gz RILQYGPBDMAJOI-UHFFFAOYSA-N -2 0 386.813 2.560 20 0 GFADRL Cc1cc(S(=O)(=O)N(C)c2ccc(C(=O)[O-])cc2)cc(C(=O)[O-])c1Cl ZINC000783532788 657238080 /nfs/dbraw/zinc/23/80/80/657238080.db2.gz PSSGNMZZHWCINU-UHFFFAOYSA-N -2 0 383.809 2.870 20 0 GFADRL COC(=O)c1scc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C ZINC000793406683 658393331 /nfs/dbraw/zinc/39/33/31/658393331.db2.gz DLVIDTWDHIIFQH-UHFFFAOYSA-N -2 0 387.410 2.790 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])c(F)cc1Cl ZINC000794756449 658608552 /nfs/dbraw/zinc/60/85/52/658608552.db2.gz BGMXZEVXMVOXQG-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL CC(C)n1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)c(Cl)c2F)n1 ZINC000794884007 658632119 /nfs/dbraw/zinc/63/21/19/658632119.db2.gz NCLBVGVERYABHO-UHFFFAOYSA-N -2 0 379.772 2.895 20 0 GFADRL COc1cc([N-]S(=O)(=O)c2ccc(Cl)nc2C)c(C(=O)[O-])cc1OC ZINC000806633303 659837965 /nfs/dbraw/zinc/83/79/65/659837965.db2.gz KZKLLUCKBLUFLY-UHFFFAOYSA-N -2 0 386.813 2.560 20 0 GFADRL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1c(C)c(Cl)ccc1C(=O)[O-] ZINC000919728694 664517248 /nfs/dbraw/zinc/51/72/48/664517248.db2.gz FKWBOWJFYJZNEQ-UHFFFAOYSA-N -2 0 378.237 2.843 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2cccc(-c3noc(C)n3)c2)sc1C(=O)[O-] ZINC000139817124 551392765 /nfs/dbraw/zinc/39/27/65/551392765.db2.gz GACQRYLOYGEVAA-UHFFFAOYSA-N -2 0 379.419 2.914 20 0 GFADRL O=C([O-])[C@@H](NS(=O)(=O)C[C@H]1CCCCC1(F)F)c1c(F)cccc1F ZINC000296881496 563306068 /nfs/dbraw/zinc/30/60/68/563306068.db2.gz HYMVEUXJBQFGPW-RNCFNFMXSA-N -2 0 383.363 2.835 20 0 GFADRL O=C([N-]CC1CCN(C(=O)c2cc(F)c([O-])c(Cl)c2)CC1)C(F)(F)F ZINC000281813069 563387824 /nfs/dbraw/zinc/38/78/24/563387824.db2.gz UWCMUOUWEUXEJQ-UHFFFAOYSA-N -2 0 382.741 2.715 20 0 GFADRL C[C@@H](Sc1ccc([N-]S(=O)(=O)c2cn3c(n2)CCCC3)cc1)C(=O)[O-] ZINC000375588063 563411143 /nfs/dbraw/zinc/41/11/43/563411143.db2.gz OYHMGFDPFUWPJM-LLVKDONJSA-N -2 0 381.479 2.585 20 0 GFADRL CN(C)C(=O)c1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)ccc1Cl ZINC000324664036 563453088 /nfs/dbraw/zinc/45/30/88/563453088.db2.gz LWASYGCRKUHSMH-UHFFFAOYSA-N -2 0 388.854 2.602 20 0 GFADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)nc2)c1 ZINC000324934849 563453113 /nfs/dbraw/zinc/45/31/13/563453113.db2.gz YOELCJZQKWAIPR-UHFFFAOYSA-N -2 0 382.341 2.583 20 0 GFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)c(O)c1 ZINC000326806117 563455891 /nfs/dbraw/zinc/45/58/91/563455891.db2.gz GDAVFIYORDLPRK-UHFFFAOYSA-N -2 0 377.296 2.790 20 0 GFADRL Cc1nc(-c2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])sc3C)c2)n[nH]1 ZINC000327294221 563457352 /nfs/dbraw/zinc/45/73/52/563457352.db2.gz JQECCWWPMLUDCP-UHFFFAOYSA-N -2 0 378.435 2.649 20 0 GFADRL COc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c(OC)cc1Cl ZINC000327876121 563459844 /nfs/dbraw/zinc/45/98/44/563459844.db2.gz BIOHJWIOAPTPLQ-UHFFFAOYSA-N -2 0 389.788 2.995 20 0 GFADRL CSc1ccccc1S(=O)(=O)[N-]c1ccc(F)cc1[N-]S(C)(=O)=O ZINC000436148838 563664876 /nfs/dbraw/zinc/66/48/76/563664876.db2.gz HHEFZCPBEHOAKN-UHFFFAOYSA-N -2 0 390.483 2.720 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2cc(Br)cc(C(=O)[O-])c2N)s1 ZINC000436475502 563671033 /nfs/dbraw/zinc/67/10/33/563671033.db2.gz HDCMHQNHHPRXQG-UHFFFAOYSA-N -2 0 391.268 2.900 20 0 GFADRL Cc1cc(Br)ccc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1O ZINC000436996664 563687441 /nfs/dbraw/zinc/68/74/41/563687441.db2.gz URHOMDKDRASPFF-UHFFFAOYSA-N -2 0 386.223 2.962 20 0 GFADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1c(C(F)F)c(C)nn1C ZINC000414177271 563721833 /nfs/dbraw/zinc/72/18/33/563721833.db2.gz IFHIGOUNWGUEAH-UHFFFAOYSA-N -2 0 391.421 2.887 20 0 GFADRL COc1cc(SC)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(O)cc1C ZINC000446622659 563866433 /nfs/dbraw/zinc/86/64/33/563866433.db2.gz GIOKZRRNRFQMPG-UHFFFAOYSA-N -2 0 383.447 2.930 20 0 GFADRL COc1cc(SC)ccc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000446641513 563866748 /nfs/dbraw/zinc/86/67/48/563866748.db2.gz GFRKNBRIRZFPFO-UHFFFAOYSA-N -2 0 383.447 2.681 20 0 GFADRL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccn(CC(F)(F)F)n1 ZINC000448128451 563894776 /nfs/dbraw/zinc/89/47/76/563894776.db2.gz IIKPMSJVKJFIRL-UHFFFAOYSA-N -2 0 397.762 2.906 20 0 GFADRL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)cc(Cl)c1O ZINC000471961892 564209084 /nfs/dbraw/zinc/20/90/84/564209084.db2.gz XSFJUWIGFULECQ-UHFFFAOYSA-N -2 0 375.761 2.698 20 0 GFADRL Cn1ncc([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c1C(=O)[O-] ZINC000539190732 564212312 /nfs/dbraw/zinc/21/23/12/564212312.db2.gz JOPNDOYCHROCIY-UHFFFAOYSA-N -2 0 383.735 2.591 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Br)c3cccnc23)c[nH]1 ZINC000509397105 564296921 /nfs/dbraw/zinc/29/69/21/564296921.db2.gz QNKVALWVSKATTG-UHFFFAOYSA-N -2 0 396.222 2.824 20 0 GFADRL CC(C)(C)n1cc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(Cl)c2)cn1 ZINC000476746795 564352949 /nfs/dbraw/zinc/35/29/49/564352949.db2.gz ZWWAPHGXJRYSFU-UHFFFAOYSA-N -2 0 387.845 2.556 20 0 GFADRL CNC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000477392821 564374938 /nfs/dbraw/zinc/37/49/38/564374938.db2.gz NUVHMMFPSGDQRM-UHFFFAOYSA-N -2 0 382.825 2.507 20 0 GFADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)N(C)c1cccc(CCC(=O)[O-])c1 ZINC000544101140 564375211 /nfs/dbraw/zinc/37/52/11/564375211.db2.gz SGUOOLQCVDOQPP-UHFFFAOYSA-N -2 0 383.447 2.597 20 0 GFADRL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)C(F)(F)F ZINC000568002126 564399448 /nfs/dbraw/zinc/39/94/48/564399448.db2.gz RUQZQUBTRUXMLM-YFKPBYRVSA-N -2 0 381.706 2.550 20 0 GFADRL Cc1c(Cl)cc(S(=O)(=O)[N-]c2cnn(C)c2C(F)(F)F)cc1C(=O)[O-] ZINC000479240232 564432680 /nfs/dbraw/zinc/43/26/80/564432680.db2.gz JUVDCKBMYKYWHK-UHFFFAOYSA-N -2 0 397.762 2.900 20 0 GFADRL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(Br)o2)c1 ZINC000546072528 564442779 /nfs/dbraw/zinc/44/27/79/564442779.db2.gz ZVONHNHDMSWACU-UHFFFAOYSA-N -2 0 376.184 2.550 20 0 GFADRL CC(=O)NCc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2C(=O)[O-])s1 ZINC000547549813 564493643 /nfs/dbraw/zinc/49/36/43/564493643.db2.gz TVXNSYBKLCOTRB-UHFFFAOYSA-N -2 0 382.463 2.500 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2O)cc1Br ZINC000481565290 564516750 /nfs/dbraw/zinc/51/67/50/564516750.db2.gz HPJZFPHNHMPCMN-UHFFFAOYSA-N -2 0 390.186 2.793 20 0 GFADRL O=C([O-])c1ccccc1[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000547915978 564520347 /nfs/dbraw/zinc/52/03/47/564520347.db2.gz KNTAFOOFOQIGQP-UHFFFAOYSA-N -2 0 380.809 2.724 20 0 GFADRL Cc1ncc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)cc2C(=O)[O-])s1 ZINC000548526183 564555156 /nfs/dbraw/zinc/55/51/56/564555156.db2.gz JVNLZIQEWNYARL-UHFFFAOYSA-N -2 0 399.519 2.504 20 0 GFADRL O=C([O-])c1ccc(OC(F)(F)F)c([N-]S(=O)(=O)CCOC(F)(F)F)c1 ZINC000571728293 564563586 /nfs/dbraw/zinc/56/35/86/564563586.db2.gz IJZDLYQHSQJNBQ-UHFFFAOYSA-N -2 0 397.249 2.562 20 0 GFADRL CC(C)[C@H](NS(=O)(=O)c1scnc1C(=O)[O-])c1ccc(F)cc1F ZINC000519827600 564592082 /nfs/dbraw/zinc/59/20/82/564592082.db2.gz QSDVDRURTBRXNN-NSHDSACASA-N -2 0 376.406 2.795 20 0 GFADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(Cl)c1C(=O)[O-] ZINC000523125434 564662333 /nfs/dbraw/zinc/66/23/33/564662333.db2.gz XKXVWHZYPIURAA-UHFFFAOYSA-N -3 0 375.811 2.907 20 0 GFADRL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1cc(Cl)sc1Cl)C(F)(F)F ZINC000551995477 564671591 /nfs/dbraw/zinc/67/15/91/564671591.db2.gz KBFCBOCBAZSHGK-SCSAIBSYSA-N -2 0 386.200 2.986 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3nc[nH]n3)cc2)c(Cl)c1 ZINC000489750448 564751792 /nfs/dbraw/zinc/75/17/92/564751792.db2.gz YTMZLWXTIALZQI-UHFFFAOYSA-N -2 0 378.797 2.624 20 0 GFADRL Cc1nc(-c2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])n(C)c3)cc2)cs1 ZINC000491090920 564786374 /nfs/dbraw/zinc/78/63/74/564786374.db2.gz QJIYKUKUVUPBDX-UHFFFAOYSA-N -2 0 377.447 2.956 20 0 GFADRL Cc1cc(C)c([N-]S(=O)(=O)c2cc(C(F)(F)F)nn2C)c(C(=O)[O-])c1 ZINC000530134503 564865262 /nfs/dbraw/zinc/86/52/62/564865262.db2.gz OCXZXNVAMHQPDA-UHFFFAOYSA-N -2 0 377.344 2.555 20 0 GFADRL O=C([O-])[C@H](CC1CCC1)[N-]S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000530473306 564883413 /nfs/dbraw/zinc/88/34/13/564883413.db2.gz HEQBCQLGDWUMLF-NSHDSACASA-N -2 0 398.225 2.649 20 0 GFADRL O=C([O-])[C@H](CCc1ccc(F)cc1)NS(=O)(=O)c1cccc(Cl)c1F ZINC000560079807 564948586 /nfs/dbraw/zinc/94/85/86/564948586.db2.gz FVYLKUJCPIYQNQ-ZDUSSCGKSA-N -2 0 389.807 2.983 20 0 GFADRL O=C([O-])[C@@H](CCc1ccc(F)cc1)NS(=O)(=O)c1cccc(Cl)c1F ZINC000560079806 564948829 /nfs/dbraw/zinc/94/88/29/564948829.db2.gz FVYLKUJCPIYQNQ-CYBMUJFWSA-N -2 0 389.807 2.983 20 0 GFADRL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2scnc2C2CC2)cc1Cl ZINC000534235767 564983086 /nfs/dbraw/zinc/98/30/86/564983086.db2.gz PUDWFVFJOFIKBX-UHFFFAOYSA-N -2 0 388.854 2.938 20 0 GFADRL COc1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)[nH]n2)c(Cl)cc1C(=O)[O-] ZINC000534792081 564996546 /nfs/dbraw/zinc/99/65/46/564996546.db2.gz HQBCTHGYKMQMFM-UHFFFAOYSA-N -2 0 399.734 2.590 20 0 GFADRL Cc1cccc(S(=O)(=O)[N-]c2cc3c(cc2C(=O)[O-])OCCO3)c1Cl ZINC000537197593 565055253 /nfs/dbraw/zinc/05/52/53/565055253.db2.gz QBGXTLIPWHGFCD-UHFFFAOYSA-N -2 0 383.809 2.919 20 0 GFADRL CCc1cc(=O)c2cc([N-]S(=O)(=O)c3csc(C(=O)[O-])c3)ccc2[nH]1 ZINC000537393657 565057850 /nfs/dbraw/zinc/05/78/50/565057850.db2.gz DVRYCKXBJYONGC-UHFFFAOYSA-N -2 0 378.431 2.651 20 0 GFADRL CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(=O)[O-])s1 ZINC000617467843 565240919 /nfs/dbraw/zinc/24/09/19/565240919.db2.gz JEIAAMHCPMYJGK-SNVBAGLBSA-N -2 0 382.463 2.753 20 0 GFADRL O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)c1cccc(Br)c1[O-] ZINC000592870937 565302539 /nfs/dbraw/zinc/30/25/39/565302539.db2.gz AYUIUKPCJSLAMG-UHFFFAOYSA-N -2 0 376.166 2.750 20 0 GFADRL C[C@H](NC(=O)N=c1[n-]nc(-c2ccsc2)s1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653536648 565971720 /nfs/dbraw/zinc/97/17/20/565971720.db2.gz CVRHKCYYHYCDLA-INTQDDNPSA-N -2 0 380.495 2.945 20 0 GFADRL Cc1c(Cl)ccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc2c1OCCO2 ZINC000681561392 566112303 /nfs/dbraw/zinc/11/23/03/566112303.db2.gz FRHIWSIJFPPBSO-UHFFFAOYSA-N -2 0 383.809 2.919 20 0 GFADRL CC(C)c1nc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Br)c[nH]1 ZINC000681559485 566112522 /nfs/dbraw/zinc/11/25/22/566112522.db2.gz LLZLKTVVCVMVJZ-UHFFFAOYSA-N -2 0 388.243 2.795 20 0 GFADRL O=C([O-])Cc1ccccc1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000053200401 597313658 /nfs/dbraw/zinc/31/36/58/597313658.db2.gz CFWXGZPBCYZAEN-UHFFFAOYSA-N -2 0 376.253 2.939 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3nc(N4CCCC4)sc3c2)o1 ZINC000740187002 599736902 /nfs/dbraw/zinc/73/69/02/599736902.db2.gz BTTZTNUTISGXOA-UHFFFAOYSA-N -2 0 393.446 2.989 20 0 GFADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccc(Br)cn2)c1C(=O)[O-] ZINC000037300503 599882703 /nfs/dbraw/zinc/88/27/03/599882703.db2.gz VPLIOLQYJLPHPF-UHFFFAOYSA-N -2 0 375.200 2.553 20 0 GFADRL CCCCN1C(=O)N[C@H](c2cccc(OCCC(=O)[O-])c2)C(C(=O)[O-])=C1C ZINC000736993465 599983862 /nfs/dbraw/zinc/98/38/62/599983862.db2.gz DJLPKUNMQNGQIV-QGZVFWFLSA-N -2 0 376.409 2.765 20 0 GFADRL CC(C)n1nccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Br ZINC000386547030 600053222 /nfs/dbraw/zinc/05/32/22/600053222.db2.gz KYTNPDGZZXABDS-UHFFFAOYSA-N -2 0 388.243 2.726 20 0 GFADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccnn1CCc1ccccc1 ZINC000738347448 600055110 /nfs/dbraw/zinc/05/51/10/600055110.db2.gz MQQGMMRYBAEAEV-UHFFFAOYSA-N -2 0 385.445 2.933 20 0 GFADRL O=C([O-])Nc1cccc(C(=O)[N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000740033765 600056586 /nfs/dbraw/zinc/05/65/86/600056586.db2.gz MYJHDDJPLOFPFN-UHFFFAOYSA-N -2 0 388.323 2.914 20 0 GFADRL CC(C)n1cc([N-]S(=O)(=O)c2ccc(Br)cc2C(=O)[O-])cn1 ZINC000736532259 600098738 /nfs/dbraw/zinc/09/87/38/600098738.db2.gz FISPOTKBKIHZSU-UHFFFAOYSA-N -2 0 388.243 2.726 20 0 GFADRL O=C([O-])C1CCC(NC(=O)c2nn(-c3ccccc3C(F)(F)F)cc2[O-])CC1 ZINC000739382345 600105549 /nfs/dbraw/zinc/10/55/49/600105549.db2.gz BZZKUWLKTUKXLI-UHFFFAOYSA-N -2 0 397.353 2.970 20 0 GFADRL O=C([O-])c1cccc(C(=O)[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1 ZINC000740217204 600122587 /nfs/dbraw/zinc/12/25/87/600122587.db2.gz SXIPDBKQFCSZLC-UHFFFAOYSA-N -2 0 391.298 2.661 20 0 GFADRL CCn1c(=O)c2ccc(C(=O)N(C)[C@H](C(=O)[O-])c3ccccc3)cc2[n-]c1=S ZINC000737295745 600193579 /nfs/dbraw/zinc/19/35/79/600193579.db2.gz PEIIZZYANQCVGJ-INIZCTEOSA-N -2 0 397.456 2.603 20 0 GFADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(-n3cnc4ccccc43)cc2)c1C(=O)[O-] ZINC000738828554 600231102 /nfs/dbraw/zinc/23/11/02/600231102.db2.gz FWGTWESIAHLUAT-UHFFFAOYSA-N -2 0 397.416 2.556 20 0 GFADRL CCCNC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1 ZINC000737030068 600231710 /nfs/dbraw/zinc/23/17/10/600231710.db2.gz PDMCHKHFMWGZCZ-UHFFFAOYSA-N -2 0 398.387 2.604 20 0 GFADRL CC(=O)Nc1ccc(C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000736163071 600234817 /nfs/dbraw/zinc/23/48/17/600234817.db2.gz ZVEDBNLUQWYRJG-UHFFFAOYSA-N -2 0 384.360 2.731 20 0 GFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2c(Cl)nc3sccn32)c(F)c1 ZINC000740154572 600236920 /nfs/dbraw/zinc/23/69/20/600236920.db2.gz GOQSHCUANDMPFK-UHFFFAOYSA-N -2 0 375.790 2.687 20 0 GFADRL Cc1oc(C)c(S(=O)(=O)[N-]c2cccc(C[S@@](C)=O)c2C)c1C(=O)[O-] ZINC000738968876 600254842 /nfs/dbraw/zinc/25/48/42/600254842.db2.gz FSCMAEJPZGHQCI-XMMPIXPASA-N -2 0 385.463 2.582 20 0 GFADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000739695004 600465981 /nfs/dbraw/zinc/46/59/81/600465981.db2.gz ACQWXYWPBUZBRN-KRWDZBQOSA-N -2 0 393.486 2.831 20 0 GFADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2nc(-c3ccccc3)ns2)c1 ZINC000740144507 600577341 /nfs/dbraw/zinc/57/73/41/600577341.db2.gz RASBDVJUAPNOMO-UHFFFAOYSA-N -2 0 379.394 2.843 20 0 GFADRL COC(=O)c1cc(Cl)cc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])c1 ZINC000737654578 600637724 /nfs/dbraw/zinc/63/77/24/600637724.db2.gz UNPFDXRSOKGUFY-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Br)no1 ZINC000738462729 600672888 /nfs/dbraw/zinc/67/28/88/600672888.db2.gz VKFWTMMZMJYZRV-UHFFFAOYSA-N -2 0 395.618 2.898 20 0 GFADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2ccc(F)cc2-c2ccc(F)cc2)cn1 ZINC000833274992 600682309 /nfs/dbraw/zinc/68/23/09/600682309.db2.gz PTNACMUAHHRYAC-UHFFFAOYSA-N -2 0 393.371 2.714 20 0 GFADRL COC(=O)c1cc([N-]S(=O)(=O)c2cc(OC)ccc2Cl)ccc1C(=O)[O-] ZINC000831326934 600688765 /nfs/dbraw/zinc/68/87/65/600688765.db2.gz CFYVIUMZWSDMMD-UHFFFAOYSA-N -2 0 399.808 2.634 20 0 GFADRL CCc1nnc(-c2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])s3)cc2)o1 ZINC000830328821 600690653 /nfs/dbraw/zinc/69/06/53/600690653.db2.gz WKDZIQZXBVTUOX-UHFFFAOYSA-N -2 0 379.419 2.860 20 0 GFADRL Cc1ncsc1[C@H]1NC(=O)N(Cc2ccc(C(=O)[O-])cc2)C(C)=C1C(=O)[O-] ZINC000828135665 600783284 /nfs/dbraw/zinc/78/32/84/600783284.db2.gz PUXVPKULALODQJ-AWEZNQCLSA-N -2 0 387.417 2.775 20 0 GFADRL CCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000013262313 600808764 /nfs/dbraw/zinc/80/87/64/600808764.db2.gz SVDPCPJWZOIFAO-UHFFFAOYSA-N -2 0 376.434 2.634 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(C)n2)cc1C(=O)[O-] ZINC000316799722 600829018 /nfs/dbraw/zinc/82/90/18/600829018.db2.gz YIIGOSCHNNRDAK-UHFFFAOYSA-N -2 0 385.239 2.960 20 0 GFADRL Cc1noc2ncc(S(=O)(=O)[N-]c3ccc(C(C)(C)C(=O)[O-])cc3)cc12 ZINC000607030526 600899421 /nfs/dbraw/zinc/89/94/21/600899421.db2.gz CEFCAXXZUTVXGP-UHFFFAOYSA-N -2 0 375.406 2.694 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)[O-])cs2)c(Cl)c1Cl ZINC000832468940 600974681 /nfs/dbraw/zinc/97/46/81/600974681.db2.gz VHKNYYBPVJZHDW-UHFFFAOYSA-N -2 0 397.261 2.886 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(-c3ccoc3)nn2-c2ccccc2)c[nH]1 ZINC000833304129 600977451 /nfs/dbraw/zinc/97/74/51/600977451.db2.gz RPBUVJFIDQLFCA-UHFFFAOYSA-N -2 0 398.400 2.959 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ncc(Cc3cccc(F)c3)s2)c[nH]1 ZINC000833306117 600977580 /nfs/dbraw/zinc/97/75/80/600977580.db2.gz FETBTZZXBVWREG-UHFFFAOYSA-N -2 0 381.410 2.700 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cn2)c(Br)c1 ZINC000020373395 600978180 /nfs/dbraw/zinc/97/81/80/600978180.db2.gz ZODCDSPUZZNBMY-UHFFFAOYSA-N -2 0 391.630 2.997 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(-c3ncc4n3CCCC4)cc2)c[nH]1 ZINC000833304320 600979908 /nfs/dbraw/zinc/97/99/08/600979908.db2.gz YGSCYLUOECQWGJ-UHFFFAOYSA-N -2 0 386.433 2.714 20 0 GFADRL CCc1cnc([N-]S(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2)s1 ZINC000830299277 600985258 /nfs/dbraw/zinc/98/52/58/600985258.db2.gz NCLNWCMYNFSVIA-UHFFFAOYSA-N -2 0 391.268 2.967 20 0 GFADRL O=C([O-])c1sccc1S(=O)(=O)[N-]c1ccc([S@@](=O)C(F)(F)F)cc1 ZINC000833347909 601127863 /nfs/dbraw/zinc/12/78/63/601127863.db2.gz HUGJLAFXXPXSIN-HSZRJFAPSA-N -2 0 399.393 2.875 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cccc(Cl)c1C(=O)[O-] ZINC000831946332 601204294 /nfs/dbraw/zinc/20/42/94/601204294.db2.gz USRQBJOQEMPKIW-UHFFFAOYSA-N -3 0 391.810 2.607 20 0 GFADRL COc1ccc(OC(F)F)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)c1 ZINC000832431915 601231920 /nfs/dbraw/zinc/23/19/20/601231920.db2.gz UWIFWJVIEWJIBM-UHFFFAOYSA-N -2 0 377.321 2.697 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2ccc(C)cc2OC[C@@H]2CCCO2)cc1C(=O)[O-] ZINC000832952860 601232912 /nfs/dbraw/zinc/23/29/12/601232912.db2.gz GTTMYWXNVUQMPO-ZDUSSCGKSA-N -2 0 395.433 2.953 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2cc(Cl)ccc2-n2cccn2)cc1C(=O)[O-] ZINC000833026693 601232943 /nfs/dbraw/zinc/23/29/43/601232943.db2.gz IAYOFHBKBGYEPP-UHFFFAOYSA-N -2 0 381.797 2.926 20 0 GFADRL CCc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)c2)n1 ZINC000830339027 601234795 /nfs/dbraw/zinc/23/47/95/601234795.db2.gz IMJOUTLVSWPXFN-UHFFFAOYSA-N -2 0 377.378 2.699 20 0 GFADRL O=C([O-])[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000833184204 601235304 /nfs/dbraw/zinc/23/53/04/601235304.db2.gz ODWHUJUKUAGCKI-IUCAKERBSA-N -2 0 380.249 2.689 20 0 GFADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2C[C@H](C(=O)[O-])Oc3ccccc32)n1 ZINC000832890110 601273147 /nfs/dbraw/zinc/27/31/47/601273147.db2.gz OUFYSIGYPDOEGL-QGZVFWFLSA-N -2 0 397.362 2.518 20 0 GFADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])n1 ZINC000248608140 601278611 /nfs/dbraw/zinc/27/86/11/601278611.db2.gz VYAZPMXPMRFOHC-WQVCFCJDSA-N -2 0 387.411 2.883 20 0 GFADRL Cc1c[nH]c(=O)n1-c1ccccc1[N-]S(=O)(=O)c1ccc(C=CC(=O)[O-])cc1 ZINC000832856697 601329211 /nfs/dbraw/zinc/32/92/11/601329211.db2.gz ZHCNYQQABZFOSO-DHZHZOJOSA-N -2 0 399.428 2.785 20 0 GFADRL CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])s2)cc1 ZINC000826126782 601332807 /nfs/dbraw/zinc/33/28/07/601332807.db2.gz JBBYAVDSVSHIHW-UHFFFAOYSA-N -3 0 383.447 2.538 20 0 GFADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1cc(Cc2ccccc2)ccc1O ZINC000833345084 601486453 /nfs/dbraw/zinc/48/64/53/601486453.db2.gz LEOHPEVAZXJWND-UHFFFAOYSA-N -2 0 390.442 2.939 20 0 GFADRL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2ccncc21 ZINC000831469989 601492445 /nfs/dbraw/zinc/49/24/45/601492445.db2.gz ATJVHCWVIFSHIX-UHFFFAOYSA-N -2 0 392.414 2.582 20 0 GFADRL Cc1cc(C(=O)[N-]S(=O)(=O)c2ccccc2Cl)cc(C)c1OCC(=O)[O-] ZINC000832865220 601499130 /nfs/dbraw/zinc/49/91/30/601499130.db2.gz SVLOYJXGSTXFJH-UHFFFAOYSA-N -2 0 397.836 2.539 20 0 GFADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1nnc(Cc2ccccc2)s1 ZINC000832853471 601502887 /nfs/dbraw/zinc/50/28/87/601502887.db2.gz YLRWQAPANFIVQS-UHFFFAOYSA-N -2 0 389.458 2.936 20 0 GFADRL Cc1ccnc(Oc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)cc2)n1 ZINC000832984670 601559039 /nfs/dbraw/zinc/55/90/39/601559039.db2.gz WTLDMJHVYJWRRK-UHFFFAOYSA-N -2 0 375.362 2.669 20 0 GFADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000754257340 601575641 /nfs/dbraw/zinc/57/56/41/601575641.db2.gz KWOXLVFRAJYPSX-UHFFFAOYSA-N -3 0 397.380 2.812 20 0 GFADRL CC[C@@H](NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC000562355459 601750892 /nfs/dbraw/zinc/75/08/92/601750892.db2.gz VDOGTCHFCHJNSM-CQSZACIVSA-N -2 0 396.852 2.734 20 0 GFADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ncc(Cc2ccccc2)s1 ZINC000833345981 601767620 /nfs/dbraw/zinc/76/76/20/601767620.db2.gz IUBPTYWMMSPLND-UHFFFAOYSA-N -2 0 381.460 2.689 20 0 GFADRL O=C([O-])CCCc1csc([N-]S(=O)(=O)c2cccc3ncccc32)n1 ZINC000328137236 601770778 /nfs/dbraw/zinc/77/07/78/601770778.db2.gz KRDDOGZCOZMQSV-UHFFFAOYSA-N -2 0 377.447 2.899 20 0 GFADRL O=C([O-])CCCc1csc([N-]S(=O)(=O)c2cnc3ccsc3c2)n1 ZINC000833229897 601771495 /nfs/dbraw/zinc/77/14/95/601771495.db2.gz RBZBAKMYUUDLCF-UHFFFAOYSA-N -2 0 383.476 2.961 20 0 GFADRL COC(=O)c1cc2ccccc2cc1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000831354228 601835949 /nfs/dbraw/zinc/83/59/49/601835949.db2.gz WQZWKSOQKJNQSC-UHFFFAOYSA-N -2 0 392.414 2.582 20 0 GFADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1cccc(COCc2ccco2)c1 ZINC000833345565 601836120 /nfs/dbraw/zinc/83/61/20/601836120.db2.gz DIVXLFAAMDKHTR-UHFFFAOYSA-N -2 0 394.430 2.952 20 0 GFADRL O=C([O-])c1ccc2c(c1)CCCN2S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000751142191 601839461 /nfs/dbraw/zinc/83/94/61/601839461.db2.gz IZULRUYDGCJBHH-UHFFFAOYSA-N -2 0 397.355 2.503 20 0 GFADRL Cc1c(Br)cccc1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000832849928 601839770 /nfs/dbraw/zinc/83/97/70/601839770.db2.gz SKRHCMPBYVQFDV-UHFFFAOYSA-N -2 0 377.241 2.713 20 0 GFADRL C[C@H](C(=O)[O-])[C@@H](NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-])c1ccccc1 ZINC000826044066 602323490 /nfs/dbraw/zinc/32/34/90/602323490.db2.gz BHRJJFCCIKXWEV-YVEFUNNKSA-N -2 0 383.379 2.909 20 0 GFADRL O=C([O-])N[C@@H]1CCCN(C(=O)c2cc(Br)cc(Cl)c2[O-])C1 ZINC000738657861 603542509 /nfs/dbraw/zinc/54/25/09/603542509.db2.gz ZEUKLYZNFORWPL-MRVPVSSYSA-N -2 0 377.622 2.680 20 0 GFADRL O=C([O-])N[C@H]1CCCN(C(=O)c2cc(Br)cc(Cl)c2[O-])C1 ZINC000738657862 603542639 /nfs/dbraw/zinc/54/26/39/603542639.db2.gz ZEUKLYZNFORWPL-QMMMGPOBSA-N -2 0 377.622 2.680 20 0 GFADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CCC[C@@H](N(C)C(=O)[O-])C3)n2)cc1 ZINC000824463325 603550003 /nfs/dbraw/zinc/55/00/03/603550003.db2.gz HJYUKJVJIVYZKM-MRXNPFEDSA-N -2 0 386.452 2.916 20 0 GFADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CC[C@H](NC(=O)[O-])[C@H](C)C3)n2)cc1 ZINC000824463331 603659402 /nfs/dbraw/zinc/65/94/02/603659402.db2.gz HQQQSXQHYBJIIZ-CJNGLKHVSA-N -2 0 386.452 2.820 20 0 GFADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CCC[C@H]3CN(C)C(=O)[O-])n2)cc1 ZINC000824463631 603999337 /nfs/dbraw/zinc/99/93/37/603999337.db2.gz MMUAQXIGZUWPPE-INIZCTEOSA-N -2 0 386.452 2.916 20 0 GFADRL C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000825639365 604157968 /nfs/dbraw/zinc/15/79/68/604157968.db2.gz SFPCCFRWPWPSQY-WYQXTGKHSA-N -2 0 380.466 2.505 20 0 GFADRL C[C@H](CC(=O)[N-]S(=O)(=O)/C=C\c1ccccc1)C1CCN(C(=O)[O-])CC1 ZINC000824679710 604383238 /nfs/dbraw/zinc/38/32/38/604383238.db2.gz MZPROOSGGSXMOY-FWLQQBITSA-N -2 0 380.466 2.520 20 0 GFADRL CCn1c(=O)c2ccc(C(=O)OC3CCC(CC(=O)[O-])CC3)cc2[n-]c1=S ZINC000833683200 604496221 /nfs/dbraw/zinc/49/62/21/604496221.db2.gz FSSQGOSNXCQPSQ-UHFFFAOYSA-N -2 0 390.461 2.895 20 0 GFADRL Cc1cc(Br)cnc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000318158906 604620413 /nfs/dbraw/zinc/62/04/13/604620413.db2.gz XYDDZOOBZCAONP-UHFFFAOYSA-N -2 0 389.202 2.791 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccn(CC(F)(F)F)n2)ccc1Cl ZINC000160228465 604792449 /nfs/dbraw/zinc/79/24/49/604792449.db2.gz WOLJYQJVNPLZMX-UHFFFAOYSA-N -2 0 383.735 2.598 20 0 GFADRL CC(C)Cn1ncc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1C(F)F ZINC000536303629 604902252 /nfs/dbraw/zinc/90/22/52/604902252.db2.gz XUNXUJROJCCVJZ-UHFFFAOYSA-N -2 0 387.408 2.905 20 0 GFADRL Cc1ccc(F)c(NS(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)c1C(=O)[O-] ZINC000833749148 604944054 /nfs/dbraw/zinc/94/40/54/604944054.db2.gz ACRGJUPDEFHXRA-UITAMQMPSA-N -2 0 379.365 2.731 20 0 GFADRL CCc1nc(NC(=O)c2nn(-c3ccccc3F)cc2[O-])sc1C(=O)[O-] ZINC000833675882 605009066 /nfs/dbraw/zinc/00/90/66/605009066.db2.gz VFSBUXYMLZIMJM-UHFFFAOYSA-N -2 0 376.369 2.686 20 0 GFADRL C[C@@H](CCCc1ccccc1)C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000833514802 605086554 /nfs/dbraw/zinc/08/65/54/605086554.db2.gz BCYIUXJAFCLFHJ-HNNXBMFYSA-N -2 0 389.473 2.990 20 0 GFADRL CC(C)(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC000833411402 605115821 /nfs/dbraw/zinc/11/58/21/605115821.db2.gz FOJGJLWDEQDDGD-UHFFFAOYSA-N -2 0 389.473 2.942 20 0 GFADRL COC(=O)C1(c2ccc(S(=O)(=O)[N-]c3cc(C)c(C(=O)[O-])s3)cc2)CC1 ZINC000833702511 605124645 /nfs/dbraw/zinc/12/46/45/605124645.db2.gz YAKAKXFRHCTOFM-UHFFFAOYSA-N -2 0 395.458 2.760 20 0 GFADRL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000833741999 605127271 /nfs/dbraw/zinc/12/72/71/605127271.db2.gz ZDLPLACWLDVHOK-UHFFFAOYSA-N -3 0 375.811 2.907 20 0 GFADRL CC(C)Oc1c(F)cc([N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1F ZINC000833505442 605330737 /nfs/dbraw/zinc/33/07/37/605330737.db2.gz KGVLOQUUPQDBKB-UHFFFAOYSA-N -2 0 378.378 2.708 20 0 GFADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CC[C@@H](NC(=O)[O-])C[C@@H]3C)n2)c1 ZINC000824470316 605359651 /nfs/dbraw/zinc/35/96/51/605359651.db2.gz NZEHNHKHPYRGBJ-DZGCQCFKSA-N -2 0 386.452 2.962 20 0 GFADRL COc1ccc(Nc2ncccc2[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000833733616 605586537 /nfs/dbraw/zinc/58/65/37/605586537.db2.gz WFKOVQZHPOGHIW-UHFFFAOYSA-N -2 0 389.389 2.926 20 0 GFADRL O=C([O-])NC[C@H](NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-])c1ccc2ccccc2c1 ZINC000834211274 605622772 /nfs/dbraw/zinc/62/27/72/605622772.db2.gz VTJZZIQQEOUJEH-BZSNNMDCSA-N -2 0 382.416 2.932 20 0 GFADRL CCCN(C(=O)c1nn(-c2ccccc2F)cc1[O-])C1CCN(C(=O)[O-])CC1 ZINC000826886977 605883285 /nfs/dbraw/zinc/88/32/85/605883285.db2.gz GENRSGDQAFWADY-UHFFFAOYSA-N -2 0 390.415 2.712 20 0 GFADRL O=C([O-])NCCOc1ccc([N-]S(=O)(=O)c2cccc3cccnc32)cc1 ZINC000834245945 606081185 /nfs/dbraw/zinc/08/11/85/606081185.db2.gz RZPRRPKJRAQSHY-UHFFFAOYSA-N -2 0 387.417 2.682 20 0 GFADRL CCC(CC)(C[N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)[O-] ZINC000818430271 660225729 /nfs/dbraw/zinc/22/57/29/660225729.db2.gz GYDZCPQBAFCFFS-UHFFFAOYSA-N -2 0 375.315 2.551 20 0 GFADRL C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)c2cc(Cl)cc(Cl)c2[O-])C1 ZINC000828682167 660561427 /nfs/dbraw/zinc/56/14/27/660561427.db2.gz YQUSPKXNSSMLFS-CYBMUJFWSA-N -2 0 385.169 2.982 20 0 GFADRL CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000013278967 654504009 /nfs/dbraw/zinc/50/40/09/654504009.db2.gz NUHWIMQGENSQPF-UHFFFAOYSA-N -2 0 381.431 2.914 20 0 GFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(Br)cnc2Cl)cc1 ZINC000044318196 654655952 /nfs/dbraw/zinc/65/59/52/654655952.db2.gz VCJQUXKGQJVCOS-UHFFFAOYSA-N -2 0 391.630 2.997 20 0 GFADRL CNC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000055589553 654778925 /nfs/dbraw/zinc/77/89/25/654778925.db2.gz CGDUVFDLXSQNQO-UHFFFAOYSA-N -2 0 388.854 2.569 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)nc2C)cc1C(=O)[O-] ZINC000318821820 655381317 /nfs/dbraw/zinc/38/13/17/655381317.db2.gz FCNWPXDBWHTAJS-UHFFFAOYSA-N -2 0 385.239 2.960 20 0 GFADRL CCOC(=O)/C=C\c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC000327310690 655386067 /nfs/dbraw/zinc/38/60/67/655386067.db2.gz VBRJPFWRRZCYCD-YVMONPNESA-N -2 0 381.431 2.823 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2ccc(Br)nc2)sc1C(=O)[O-] ZINC000222059179 655422057 /nfs/dbraw/zinc/42/20/57/655422057.db2.gz MHEBJEYLWFPICM-UHFFFAOYSA-N -2 0 377.241 2.713 20 0 GFADRL O=S(=O)([N-]N=c1c(F)c(F)[n-]c(F)c1F)c1ccc(Cl)nc1Cl ZINC000729662633 655566529 /nfs/dbraw/zinc/56/65/29/655566529.db2.gz NNTVBQRVLWFJMU-UHFFFAOYSA-N -2 0 391.133 2.645 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)CCC(=O)[O-])c2)cnc1Cl ZINC000753139414 655850814 /nfs/dbraw/zinc/85/08/14/655850814.db2.gz UHUJTCUPFDXHKR-UHFFFAOYSA-N -2 0 382.825 2.892 20 0 GFADRL O=C([O-])c1cc(F)c(F)c(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)[O-])c1 ZINC000758149497 655924128 /nfs/dbraw/zinc/92/41/28/655924128.db2.gz XNOZXWFYOGETKK-UHFFFAOYSA-N -3 0 391.735 2.815 20 0 GFADRL Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)[O-])cc1C(=O)[O-] ZINC000758149004 655924141 /nfs/dbraw/zinc/92/41/41/655924141.db2.gz QVGQZCVDXMUCJV-UHFFFAOYSA-N -3 0 387.772 2.985 20 0 GFADRL COC(=O)c1csc([N-]S(=O)(=O)c2cc(C)c(Cl)c(C(=O)[O-])c2)c1 ZINC000759114582 655947996 /nfs/dbraw/zinc/94/79/96/655947996.db2.gz TYBKLHBUJNJEJQ-UHFFFAOYSA-N -2 0 389.838 2.996 20 0 GFADRL Cn1c(Cl)ncc1S(=O)(=O)[N-]c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000759707666 655961468 /nfs/dbraw/zinc/96/14/68/655961468.db2.gz UQSIXZRRAVYPMD-UHFFFAOYSA-N -2 0 383.735 2.591 20 0 GFADRL COc1cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2C(=O)[O-])cnc1Cl ZINC000767458516 656204247 /nfs/dbraw/zinc/20/42/47/656204247.db2.gz YBEXBMVWCFSRCH-UHFFFAOYSA-N -2 0 378.740 2.521 20 0 GFADRL COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C ZINC000793412579 658394230 /nfs/dbraw/zinc/39/42/30/658394230.db2.gz QLZRDSGPGSMZHE-UHFFFAOYSA-N -2 0 375.324 2.920 20 0 GFADRL Cc1cnc(SCC(=O)C2([N-]C(=O)C(F)(F)F)CCCCC2)[nH]c1=O ZINC000849902923 661751451 /nfs/dbraw/zinc/75/14/51/661751451.db2.gz GNEXKUHHZKTQDC-UHFFFAOYSA-N -2 0 377.388 2.533 20 0 GFADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000853071004 661880794 /nfs/dbraw/zinc/88/07/94/661880794.db2.gz YDIPHXDNSXNPMK-ANLVUFKYSA-N -2 0 380.171 2.989 20 0 GFADRL Cc1ccc(Cl)c(S(=O)(=O)[N-]C(=O)[C@@]2(C(=O)[O-])CC2(C)C)c1Cl ZINC000863960742 662351290 /nfs/dbraw/zinc/35/12/90/662351290.db2.gz BDLDPIHIFJSIAQ-CQSZACIVSA-N -2 0 380.249 2.608 20 0 GFADRL Cc1ccc(Cl)c(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C2CCCC2)c1Cl ZINC000863961816 662351617 /nfs/dbraw/zinc/35/16/17/662351617.db2.gz UWFHKNLMORLOGB-NSHDSACASA-N -2 0 394.276 2.998 20 0 GFADRL Cc1ccc(Cl)c(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC=CC2)c1Cl ZINC000863961510 662351637 /nfs/dbraw/zinc/35/16/37/662351637.db2.gz PQVNIKVODKEWNW-UHFFFAOYSA-N -2 0 378.233 2.528 20 0 GFADRL O=C([O-])C1(C[N-]S(=O)(=O)c2oc3ccccc3c2Br)CCC1 ZINC000864436917 662371249 /nfs/dbraw/zinc/37/12/49/662371249.db2.gz PHLYZIMAEYPQEG-UHFFFAOYSA-N -2 0 388.239 2.729 20 0 GFADRL CCC[C@H](CCCC[N-]S(=O)(=O)c1occc1Br)C(=O)[O-] ZINC000926476612 664690445 /nfs/dbraw/zinc/69/04/45/664690445.db2.gz AJPXTXMEFZGSMJ-SNVBAGLBSA-N -2 0 382.276 2.992 20 0 GFADRL CCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000005135119 206593978 /nfs/dbraw/zinc/59/39/78/206593978.db2.gz CQAYIXIJESAZPN-UHFFFAOYSA-N -2 0 390.461 2.942 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)cc2)sc1C(=O)[O-] ZINC000045774689 551148112 /nfs/dbraw/zinc/14/81/12/551148112.db2.gz QIEIJZVKOVBRCQ-UHFFFAOYSA-N -2 0 380.447 2.682 20 0 GFADRL Cc1cc(S(=O)(=O)N2CCCc3cc(C(=O)[O-])ccc32)sc1C(=O)[O-] ZINC000068321517 551191491 /nfs/dbraw/zinc/19/14/91/551191491.db2.gz SCTLTBMUEUMRJB-UHFFFAOYSA-N -2 0 381.431 2.594 20 0 GFADRL Cc1cc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)ccc1Br ZINC000151453785 551413812 /nfs/dbraw/zinc/41/38/12/551413812.db2.gz QEFNTJSSBBIFBL-UHFFFAOYSA-N -2 0 389.209 2.655 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccn(CC(F)(F)F)n2)c(Cl)c1 ZINC000160238352 551577986 /nfs/dbraw/zinc/57/79/86/551577986.db2.gz FWHCPFMIKCOBIV-UHFFFAOYSA-N -2 0 383.735 2.598 20 0 GFADRL O=C([O-])CCCCNC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000262470510 553171370 /nfs/dbraw/zinc/17/13/70/553171370.db2.gz YGGWBUCMMNFGRI-UHFFFAOYSA-N -2 0 382.463 2.534 20 0 GFADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)ccc1Br ZINC000317016875 563442295 /nfs/dbraw/zinc/44/22/95/563442295.db2.gz XFMLYRXKYVNOMR-UHFFFAOYSA-N -2 0 390.211 2.858 20 0 GFADRL Cc1c([N-]S(=O)(=O)c2cc3c(cc2Cl)NC(=O)C3)cccc1C(=O)[O-] ZINC000327522678 563458461 /nfs/dbraw/zinc/45/84/61/563458461.db2.gz SVQDXGJCYGDXPM-UHFFFAOYSA-N -2 0 380.809 2.642 20 0 GFADRL COc1cncc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000410375993 563588504 /nfs/dbraw/zinc/58/85/04/563588504.db2.gz RCDDQPRWEKPFKG-UHFFFAOYSA-N -2 0 376.312 2.608 20 0 GFADRL Cc1c(C(=O)[O-])cc(Br)cc1S(=O)(=O)[N-]c1ccccc1O ZINC000433805653 563619722 /nfs/dbraw/zinc/61/97/22/563619722.db2.gz WQUUPEWWLLCUSV-UHFFFAOYSA-N -2 0 386.223 2.962 20 0 GFADRL CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)cc1Cl ZINC000433803743 563619955 /nfs/dbraw/zinc/61/99/55/563619955.db2.gz NPFAVRNGPUKOJT-UHFFFAOYSA-N -2 0 384.797 2.503 20 0 GFADRL COc1cc(NC(C)=O)ccc1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000435131436 563642814 /nfs/dbraw/zinc/64/28/14/563642814.db2.gz DAXBTQKSBRVGKK-UHFFFAOYSA-N -2 0 384.435 2.523 20 0 GFADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2cccc(Br)c2F)c1O ZINC000436484338 563671730 /nfs/dbraw/zinc/67/17/30/563671730.db2.gz COXXJKZJIRLETH-UHFFFAOYSA-N -2 0 390.186 2.793 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2-c2nc[nH]n2)c(Cl)c1 ZINC000362671324 563707754 /nfs/dbraw/zinc/70/77/54/563707754.db2.gz VZTJIOLWNSMUCD-UHFFFAOYSA-N -2 0 378.797 2.624 20 0 GFADRL CCCc1ccc([N-]S(=O)(=O)c2csc(C(=O)OC)c2)c(C(=O)[O-])c1 ZINC000438804634 563710982 /nfs/dbraw/zinc/71/09/82/563710982.db2.gz JNWXDCKEWPCTNU-UHFFFAOYSA-N -2 0 383.447 2.986 20 0 GFADRL Cc1ccc(-c2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3O)n[nH]2)s1 ZINC000444429870 563831976 /nfs/dbraw/zinc/83/19/76/563831976.db2.gz MOPPGTKSIOKEIK-UHFFFAOYSA-N -2 0 379.419 2.651 20 0 GFADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)cc1F ZINC000446144508 563859472 /nfs/dbraw/zinc/85/94/72/563859472.db2.gz COGFVNPORURKQO-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL CC(C)(C)CC[C@H](NC(=O)c1cc(Cl)ccc1[N-]S(C)(=O)=O)C(=O)[O-] ZINC000449134354 563907277 /nfs/dbraw/zinc/90/72/77/563907277.db2.gz IQHDUASSQBAEDA-ZDUSSCGKSA-N -2 0 390.889 2.721 20 0 GFADRL O=C([O-])[C@@H](CNC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1)CC1CC1 ZINC000564091165 564220422 /nfs/dbraw/zinc/22/04/22/564220422.db2.gz GCSCSGVDDYPHFV-SNVBAGLBSA-N -2 0 393.237 2.521 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2cc(Br)ccc2O)ccc1C(=O)[O-] ZINC000507994775 564249799 /nfs/dbraw/zinc/24/97/99/564249799.db2.gz JXKDVHGJWRKXJO-UHFFFAOYSA-N -2 0 386.223 2.962 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)nn1-c1cccc(F)c1 ZINC000540650853 564254392 /nfs/dbraw/zinc/25/43/92/564254392.db2.gz SISARYQJLCKNCO-UHFFFAOYSA-N -2 0 381.410 2.880 20 0 GFADRL CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000474443083 564278798 /nfs/dbraw/zinc/27/87/98/564278798.db2.gz BXRYZQTZTCPPKR-UHFFFAOYSA-N -2 0 376.768 2.948 20 0 GFADRL COC(=O)c1c(F)cc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc1F ZINC000509397619 564296380 /nfs/dbraw/zinc/29/63/80/564296380.db2.gz VTDKVBAFOQQWHZ-UHFFFAOYSA-N -2 0 391.373 2.620 20 0 GFADRL Cc1noc2ncc(S(=O)(=O)[N-]c3c(C)ccc(Cl)c3C(=O)[O-])cc12 ZINC000475745888 564317150 /nfs/dbraw/zinc/31/71/50/564317150.db2.gz FHOFKQRSQQZMGK-UHFFFAOYSA-N -2 0 381.797 2.992 20 0 GFADRL Cn1cc(Nc2cccc([N-]S(=O)(=O)c3csc(C(=O)[O-])c3)c2)cn1 ZINC000475729783 564317678 /nfs/dbraw/zinc/31/76/78/564317678.db2.gz HHYWMPRMCQRWIJ-UHFFFAOYSA-N -2 0 378.435 2.724 20 0 GFADRL C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2cc(Br)cc(Cl)c2[O-])C1 ZINC000567269620 564364062 /nfs/dbraw/zinc/36/40/62/564364062.db2.gz PFVLSBQMWBFLOU-JGVFFNPUSA-N -2 0 376.634 2.991 20 0 GFADRL CN(C)c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2C#N)c(C(=O)[O-])c1 ZINC000547547671 564493212 /nfs/dbraw/zinc/49/32/12/564493212.db2.gz PPSZXTGJDHVCAU-UHFFFAOYSA-N -2 0 379.825 2.777 20 0 GFADRL COCCOc1ccccc1S(=O)(=O)[N-]c1cc(Cl)ccc1C(=O)[O-] ZINC000547883631 564516164 /nfs/dbraw/zinc/51/61/64/564516164.db2.gz NJFVRATXOPXUSW-UHFFFAOYSA-N -2 0 385.825 2.864 20 0 GFADRL CC(C)n1cnc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Br)c1 ZINC000548235944 564540582 /nfs/dbraw/zinc/54/05/82/564540582.db2.gz QMHIRTJTCIDOGR-UHFFFAOYSA-N -2 0 388.243 2.726 20 0 GFADRL Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000548537874 564557101 /nfs/dbraw/zinc/55/71/01/564557101.db2.gz MWYMUXYLDQHADY-UHFFFAOYSA-N -2 0 385.239 2.960 20 0 GFADRL CCCc1nc(C)c([N-]S(=O)(=O)c2cc(CC(=O)[O-])ccc2OC)s1 ZINC000486127890 564640192 /nfs/dbraw/zinc/64/01/92/564640192.db2.gz WLKKSBDIISUPDR-UHFFFAOYSA-N -2 0 384.479 2.841 20 0 GFADRL COC(=O)c1c(F)ccc(NS(=O)(=O)c2cc(C(=O)[O-])sc2C)c1F ZINC000575632625 564701171 /nfs/dbraw/zinc/70/11/71/564701171.db2.gz ITAUKLZQBGXXPE-UHFFFAOYSA-N -2 0 391.373 2.620 20 0 GFADRL O=C([O-])[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000576204540 564707375 /nfs/dbraw/zinc/70/73/75/564707375.db2.gz WKUUFIDOASZCBK-HTQZYQBOSA-N -2 0 398.225 2.507 20 0 GFADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(C)c1-c1ccccc1 ZINC000576782386 564718836 /nfs/dbraw/zinc/71/88/36/564718836.db2.gz NGROTJCLTJUQMT-UHFFFAOYSA-N -2 0 377.447 2.956 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnn(C(F)F)c2)cc1Br ZINC000463803532 564890669 /nfs/dbraw/zinc/89/06/69/564890669.db2.gz YOKLOSYXXIFKKF-UHFFFAOYSA-N -2 0 396.169 2.540 20 0 GFADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccc(OC(F)F)nc2)c1 ZINC000583612904 564899277 /nfs/dbraw/zinc/89/92/77/564899277.db2.gz CEBADWKQFJLDJL-UHFFFAOYSA-N -2 0 376.312 2.630 20 0 GFADRL Cc1ccc(O)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Br)c2)c1 ZINC000464843373 564919931 /nfs/dbraw/zinc/91/99/31/564919931.db2.gz UFDQPZSUGDRGLS-UHFFFAOYSA-N -2 0 386.223 2.962 20 0 GFADRL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000532844597 564947552 /nfs/dbraw/zinc/94/75/52/564947552.db2.gz JODAQSWARUPGFM-UHFFFAOYSA-N -2 0 387.772 2.985 20 0 GFADRL C[C@@H](Sc1ccc([N-]S(=O)(=O)c2cccc3c2OCO3)cc1)C(=O)[O-] ZINC000504704295 565043492 /nfs/dbraw/zinc/04/34/92/565043492.db2.gz VIPXTGLOVMATLM-SNVBAGLBSA-N -2 0 381.431 2.781 20 0 GFADRL O=C([O-])c1c(F)cc(CNS(=O)(=O)c2ccc(F)c(F)c2F)cc1F ZINC000584565961 565088178 /nfs/dbraw/zinc/08/81/78/565088178.db2.gz JBEMNRIBDVUEFJ-UHFFFAOYSA-N -2 0 381.278 2.559 20 0 GFADRL Cc1cc(C(F)(F)F)ncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000685902385 565130612 /nfs/dbraw/zinc/13/06/12/565130612.db2.gz QDKKPYQYXMXIQJ-UHFFFAOYSA-N -2 0 376.312 2.613 20 0 GFADRL CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)s1 ZINC000617467143 565241012 /nfs/dbraw/zinc/24/10/12/565241012.db2.gz XSCONZYXAQCXFO-QMMMGPOBSA-N -2 0 386.426 2.583 20 0 GFADRL CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)s1 ZINC000617466517 565241520 /nfs/dbraw/zinc/24/15/20/565241520.db2.gz IGXFYAHUHMBXHF-JTQLQIEISA-N -2 0 382.463 2.753 20 0 GFADRL CC(C)[C@@H](CNC(=O)N=c1[n-]nc(-c2c(F)cccc2Cl)s1)C(=O)[O-] ZINC000653543291 565971863 /nfs/dbraw/zinc/97/18/63/565971863.db2.gz JHBOXRSYRIROIR-MRVPVSSYSA-N -2 0 386.836 2.898 20 0 GFADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)cc1Cl ZINC000611103490 566115288 /nfs/dbraw/zinc/11/52/88/566115288.db2.gz LLVLMDCXSDAFGC-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL COC(=O)c1csc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)c1C ZINC000611443538 566130360 /nfs/dbraw/zinc/13/03/60/566130360.db2.gz BKPUOTFZLCIWSE-UHFFFAOYSA-N -2 0 383.447 2.959 20 0 GFADRL CCOc1cc(C)ccc1[N-]S(=O)(=O)c1cc(C(=O)OC)sc1C(=O)[O-] ZINC000737193757 599815472 /nfs/dbraw/zinc/81/54/72/599815472.db2.gz VSAQGRZRRJMYJD-UHFFFAOYSA-N -2 0 399.446 2.741 20 0 GFADRL Cc1nc(COc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])s3)cc2)no1 ZINC000738857855 599839392 /nfs/dbraw/zinc/83/93/92/599839392.db2.gz UIECIBMUMNKEPH-UHFFFAOYSA-N -2 0 395.418 2.518 20 0 GFADRL Cn1ccnc1COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC000739049711 599885927 /nfs/dbraw/zinc/88/59/27/599885927.db2.gz UCPDEFJZPIHHAJ-UHFFFAOYSA-N -2 0 393.446 2.560 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)ccc1C(=O)NC(C)C ZINC000738463236 599908704 /nfs/dbraw/zinc/90/87/04/599908704.db2.gz GGWRPDJGFGKVBR-UHFFFAOYSA-N -2 0 382.463 2.694 20 0 GFADRL CC(C)COc1ccccc1C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000736447512 599982614 /nfs/dbraw/zinc/98/26/14/599982614.db2.gz BWULLUQKVLHLCP-UHFFFAOYSA-N -2 0 383.447 2.600 20 0 GFADRL CCCCN1C(=O)N[C@@H](c2cccc(OCCC(=O)[O-])c2)C(C(=O)[O-])=C1C ZINC000736993464 599983914 /nfs/dbraw/zinc/98/39/14/599983914.db2.gz DJLPKUNMQNGQIV-KRWDZBQOSA-N -2 0 376.409 2.765 20 0 GFADRL CC1=C(C(=O)[O-])[C@@H](c2cnn(C(C)(C)C)c2)NC(=O)N1CCCCCC(=O)[O-] ZINC000736751853 599987828 /nfs/dbraw/zinc/98/78/28/599987828.db2.gz UAMFEJHWHPFVMZ-MRXNPFEDSA-N -2 0 392.456 2.708 20 0 GFADRL CC1=C(C(=O)[O-])[C@@H](c2csc(C3CC3)n2)NC(=O)N1CCCCC(=O)[O-] ZINC000736745559 599988478 /nfs/dbraw/zinc/98/84/78/599988478.db2.gz DKAKOWMHPHVSJK-CQSZACIVSA-N -2 0 379.438 2.700 20 0 GFADRL CCNC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000067244328 600004274 /nfs/dbraw/zinc/00/42/74/600004274.db2.gz KNONKNUJYMJAAP-UHFFFAOYSA-N -2 0 388.854 2.650 20 0 GFADRL O=C([O-])c1cc(C(F)(F)F)cc(S(=O)(=O)[N-]C(=O)c2ccsc2)c1 ZINC000740074528 600045056 /nfs/dbraw/zinc/04/50/56/600045056.db2.gz NIWRVGGLSHFODN-UHFFFAOYSA-N -2 0 379.337 2.584 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)n(-c2ccc(F)cc2)n1 ZINC000738241688 600053602 /nfs/dbraw/zinc/05/36/02/600053602.db2.gz YUAVJPYPHDBHBA-UHFFFAOYSA-N -2 0 375.381 2.819 20 0 GFADRL CCCS(=O)(=O)[N-]c1ccccc1C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000621558080 600071032 /nfs/dbraw/zinc/07/10/32/600071032.db2.gz XMLNVMGOSKFGRK-UHFFFAOYSA-N -2 0 388.445 2.693 20 0 GFADRL COc1c(Cl)cc([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])cc1Cl ZINC000737840350 600234843 /nfs/dbraw/zinc/23/48/43/600234843.db2.gz SNEGHJXYNULYOU-UHFFFAOYSA-N -2 0 380.209 2.533 20 0 GFADRL CN(C)c1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])nc1 ZINC000737375048 600246896 /nfs/dbraw/zinc/24/68/96/600246896.db2.gz GBKGUVFUMNCXTG-UHFFFAOYSA-N -2 0 389.355 2.665 20 0 GFADRL O=C([O-])NCc1ccc([N-]S(=O)(=O)c2cc3c(cc2Cl)OCCO3)cc1 ZINC000740000991 600303684 /nfs/dbraw/zinc/30/36/84/600303684.db2.gz LGMXVAWQQYSYCA-UHFFFAOYSA-N -2 0 398.824 2.680 20 0 GFADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)c1O ZINC000436998913 600391855 /nfs/dbraw/zinc/39/18/55/600391855.db2.gz ZRBXFYNSVBLOFL-UHFFFAOYSA-N -2 0 391.323 2.832 20 0 GFADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)CCCc1ccc(Cl)c(Cl)c1 ZINC000739690777 600460041 /nfs/dbraw/zinc/46/00/41/600460041.db2.gz BDKDYUFQBHNDBE-UHFFFAOYSA-N -2 0 382.265 2.627 20 0 GFADRL CC(C)(C)[C@H]1CCc2sc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])cc2C1 ZINC000736252626 600464686 /nfs/dbraw/zinc/46/46/86/600464686.db2.gz RDBSWXVGAQQUST-LBPRGKRZSA-N -2 0 387.523 2.824 20 0 GFADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(F)c2)c1C(=O)[O-] ZINC000738968824 600473272 /nfs/dbraw/zinc/47/32/72/600473272.db2.gz BWBHOXVGTGPSNW-UHFFFAOYSA-N -2 0 379.369 2.720 20 0 GFADRL COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cc1Cl ZINC000737699138 600483259 /nfs/dbraw/zinc/48/32/59/600483259.db2.gz HWIXEQLYHWDYHL-UHFFFAOYSA-N -2 0 375.811 2.687 20 0 GFADRL COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc(OCCCC(=O)[O-])cc1 ZINC000737724025 600488999 /nfs/dbraw/zinc/48/89/99/600488999.db2.gz RSXNTGGTGHTKNG-UHFFFAOYSA-N -2 0 399.446 2.579 20 0 GFADRL CCOC(=O)c1sc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1C ZINC000737156576 600512546 /nfs/dbraw/zinc/51/25/46/600512546.db2.gz LZXBQWZROJXMDM-UHFFFAOYSA-N -2 0 375.449 2.794 20 0 GFADRL CC(C)Oc1ccc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)c2ccccc12 ZINC000736494996 600529645 /nfs/dbraw/zinc/52/96/45/600529645.db2.gz UFZUOHZTCWNZHB-UHFFFAOYSA-N -2 0 389.433 2.709 20 0 GFADRL O=C([O-])c1coc(COC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)c1 ZINC000740267282 600546049 /nfs/dbraw/zinc/54/60/49/600546049.db2.gz GIQLSPMMASFNIE-UHFFFAOYSA-N -2 0 392.161 2.939 20 0 GFADRL CN(C)C(=O)Sc1ccccc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000737353040 600628760 /nfs/dbraw/zinc/62/87/60/600628760.db2.gz WFJCDMDXPASGKD-UHFFFAOYSA-N -2 0 394.474 2.888 20 0 GFADRL COC(=O)c1cc(Cl)cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)c1 ZINC000737653390 600637784 /nfs/dbraw/zinc/63/77/84/600637784.db2.gz HUFVHGHYEBTWAH-UHFFFAOYSA-N -2 0 375.811 2.687 20 0 GFADRL COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1cc(Cl)cc(C(=O)[O-])c1 ZINC000738039737 600637932 /nfs/dbraw/zinc/63/79/32/600637932.db2.gz NIDPXQYGXKPHJR-UHFFFAOYSA-N -2 0 398.824 2.806 20 0 GFADRL COC(=O)c1cc(NC(=O)CC2(CC(=O)[O-])CCCCC2)ccc1C(=O)[O-] ZINC000831264809 600669541 /nfs/dbraw/zinc/66/95/41/600669541.db2.gz PVFJMROWPWJYAL-UHFFFAOYSA-N -2 0 377.393 2.925 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2NC(=O)c2ccccc2)c[nH]1 ZINC000509576959 600674486 /nfs/dbraw/zinc/67/44/86/600674486.db2.gz JCKROLMBMTUFRM-UHFFFAOYSA-N -2 0 385.401 2.766 20 0 GFADRL CC(C)CNC(=O)c1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1Cl ZINC000299650631 600676229 /nfs/dbraw/zinc/67/62/29/600676229.db2.gz XEMNMKBYWORLGN-UHFFFAOYSA-N -2 0 399.856 2.553 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)cs1 ZINC000266467253 600685097 /nfs/dbraw/zinc/68/50/97/600685097.db2.gz QWSHAXRLQCGSIW-UHFFFAOYSA-N -2 0 383.447 2.698 20 0 GFADRL COC(=O)c1cc([N-]S(=O)(=O)c2cccc3cccnc32)ccc1C(=O)[O-] ZINC000831327285 600687943 /nfs/dbraw/zinc/68/79/43/600687943.db2.gz GCIJMEDGODFKJR-UHFFFAOYSA-N -2 0 386.385 2.520 20 0 GFADRL O=C([O-])c1ccc([N-]S(=O)(=O)C[C@@H]2CCCCO2)c(OCC(F)(F)F)c1 ZINC000740155802 600694199 /nfs/dbraw/zinc/69/41/99/600694199.db2.gz UFYANDRFQASRJL-NSHDSACASA-N -2 0 397.371 2.637 20 0 GFADRL CCNC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000055633696 600811374 /nfs/dbraw/zinc/81/13/74/600811374.db2.gz WFDJRUJNLDAFJO-UHFFFAOYSA-N -2 0 396.852 2.897 20 0 GFADRL Cc1nc(-c2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])n(C)c3)c2)oc1C ZINC000511236860 600811748 /nfs/dbraw/zinc/81/17/48/600811748.db2.gz VDLAWNKBYFYPBE-UHFFFAOYSA-N -2 0 375.406 2.796 20 0 GFADRL Cc1c[nH]c(=O)n1-c1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000524230243 600814717 /nfs/dbraw/zinc/81/47/17/600814717.db2.gz HERRPPDOQLJBHL-UHFFFAOYSA-N -2 0 387.417 2.694 20 0 GFADRL Cc1nc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)ccc1Br ZINC000316800515 600828901 /nfs/dbraw/zinc/82/89/01/600828901.db2.gz YLGHHLBBCIEDIU-UHFFFAOYSA-N -2 0 385.239 2.960 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2-n2cncn2)ccc1C(=O)[O-] ZINC000506676463 600887565 /nfs/dbraw/zinc/88/75/65/600887565.db2.gz PRTNNGJEJKVOTL-UHFFFAOYSA-N -2 0 392.824 2.728 20 0 GFADRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000506672738 600891984 /nfs/dbraw/zinc/89/19/84/600891984.db2.gz CPHREABTCXHORL-UHFFFAOYSA-N -3 0 399.808 2.854 20 0 GFADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000736424221 600895787 /nfs/dbraw/zinc/89/57/87/600895787.db2.gz TYSAMMVHJUCOKU-LBPRGKRZSA-N -2 0 393.392 2.600 20 0 GFADRL C[C@H](CC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1ccccc1C(F)(F)F ZINC000827234342 600946708 /nfs/dbraw/zinc/94/67/08/600946708.db2.gz DICVUJVVPSADBJ-SNVBAGLBSA-N -2 0 381.372 2.510 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)N(CCC(=O)[O-])c2cccc(F)c2)c1C ZINC000738346261 601118249 /nfs/dbraw/zinc/11/82/49/601118249.db2.gz ZOBSORBRBVHOIL-UHFFFAOYSA-N -2 0 395.408 2.811 20 0 GFADRL CC[C@H](Oc1ccccc1Cl)C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000829014805 601206558 /nfs/dbraw/zinc/20/65/58/601206558.db2.gz QTOAHLIIVGGKGG-AWEZNQCLSA-N -2 0 397.836 2.701 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)c1F ZINC000749144686 601224145 /nfs/dbraw/zinc/22/41/45/601224145.db2.gz ZOYXFKPLJMVKHH-UHFFFAOYSA-N -3 0 387.772 2.985 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)N(CCC(=O)[O-])c2cccc(F)c2)c1F ZINC000832865640 601224461 /nfs/dbraw/zinc/22/44/61/601224461.db2.gz INUDNHLBDAHEGS-UHFFFAOYSA-N -2 0 399.371 2.641 20 0 GFADRL CCN(CC)C(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000829658258 601232580 /nfs/dbraw/zinc/23/25/80/601232580.db2.gz AUALNVJZTCFSGU-UHFFFAOYSA-N -2 0 380.422 2.569 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2ccccc2-c2n[nH]c(C(C)C)n2)cc1C(=O)[O-] ZINC000833030438 601233309 /nfs/dbraw/zinc/23/33/09/601233309.db2.gz WFDMNJBMSVLHDG-UHFFFAOYSA-N -2 0 390.421 2.996 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2ccc(Oc3ccc(C)nn3)cc2)cc1C(=O)[O-] ZINC000832953418 601234090 /nfs/dbraw/zinc/23/40/90/601234090.db2.gz LQHWUHJTQCKRRP-UHFFFAOYSA-N -2 0 389.389 2.978 20 0 GFADRL Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000832924507 601235590 /nfs/dbraw/zinc/23/55/90/601235590.db2.gz QFAFJLLMWPPITF-KBPBESRZSA-N -2 0 381.494 2.988 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2ccc([S@](=O)C(F)(F)F)cc2)cc1C(=O)[O-] ZINC000833029072 601250962 /nfs/dbraw/zinc/25/09/62/601250962.db2.gz AOTDDHWRIUHGBP-DEOSSOPVSA-N -2 0 397.352 2.714 20 0 GFADRL CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000829885776 601318061 /nfs/dbraw/zinc/31/80/61/601318061.db2.gz ZUWONYCZZNUPSR-XFXZXTDPSA-N -2 0 375.402 2.762 20 0 GFADRL COC(=O)c1sc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)cc1C ZINC000013032266 601319767 /nfs/dbraw/zinc/31/97/67/601319767.db2.gz LZSUJVXQFCXRRG-UHFFFAOYSA-N -2 0 383.447 2.959 20 0 GFADRL COc1ccc(C(=O)[O-])c(NS(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)c1 ZINC000832182529 601331806 /nfs/dbraw/zinc/33/18/06/601331806.db2.gz KYZJFFRKJAYXSA-UHFFFAOYSA-N -2 0 399.808 2.854 20 0 GFADRL CCOC(=O)c1sc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)nc1C ZINC000829895062 601358753 /nfs/dbraw/zinc/35/87/53/601358753.db2.gz DAOXRKXGFSVDGO-UHFFFAOYSA-N -2 0 398.462 2.744 20 0 GFADRL Cn1cc(S(=O)(=O)[N-]c2cc(CCc3ccccc3)ccn2)cc1C(=O)[O-] ZINC000833055534 601365637 /nfs/dbraw/zinc/36/56/37/601365637.db2.gz QVYUUVKFYAQHSO-UHFFFAOYSA-N -2 0 385.445 2.704 20 0 GFADRL CCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])cc1 ZINC000829522731 601383935 /nfs/dbraw/zinc/38/39/35/601383935.db2.gz HFRLBABSWGSIQA-UHFFFAOYSA-N -2 0 398.824 2.801 20 0 GFADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cnn(-c3ccccc3F)c2)c1 ZINC000755986449 601491657 /nfs/dbraw/zinc/49/16/57/601491657.db2.gz SJSDKEDNOJQNGE-UHFFFAOYSA-N -2 0 379.344 2.650 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2nnc(Cc3ccccc3)s2)ccc1F ZINC000833306288 601502770 /nfs/dbraw/zinc/50/27/70/601502770.db2.gz MUUUIBLKMHESSD-UHFFFAOYSA-N -2 0 393.421 2.767 20 0 GFADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2nnc(Cc3ccccc3)s2)c1 ZINC000833318121 601502956 /nfs/dbraw/zinc/50/29/56/601502956.db2.gz GJURNJBPRGOGIN-UHFFFAOYSA-N -2 0 393.421 2.767 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2nnc(Cc3ccccc3F)s2)cs1 ZINC000833306494 601503731 /nfs/dbraw/zinc/50/37/31/601503731.db2.gz YOKCUEMLVISVAS-UHFFFAOYSA-N -2 0 399.450 2.829 20 0 GFADRL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000827047469 601575943 /nfs/dbraw/zinc/57/59/43/601575943.db2.gz JJFRCSVOJGNYLX-UHFFFAOYSA-N -3 0 385.419 2.733 20 0 GFADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2c(-c3ccccn3)nc3ccccn32)c1 ZINC000833334562 601770478 /nfs/dbraw/zinc/77/04/78/601770478.db2.gz RYGGYBLMCVJWDV-UHFFFAOYSA-N -2 0 394.412 2.895 20 0 GFADRL CCOC(=O)c1ccc(S(=O)(=O)[N-]c2nc(CCCC(=O)[O-])cs2)cc1 ZINC000829885769 601770753 /nfs/dbraw/zinc/77/07/53/601770753.db2.gz ZKVUZSJQTPITRC-UHFFFAOYSA-N -2 0 398.462 2.528 20 0 GFADRL O=C([O-])CCCc1csc(NC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])n1 ZINC000833229412 601802170 /nfs/dbraw/zinc/80/21/70/601802170.db2.gz GEGWSQWWIUGGAC-UHFFFAOYSA-N -2 0 390.396 2.833 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)c(Cl)cc1F ZINC000063876882 601829682 /nfs/dbraw/zinc/82/96/82/601829682.db2.gz SZYILGRTHNIQBV-UHFFFAOYSA-N -2 0 387.772 2.749 20 0 GFADRL NC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000833084814 601829737 /nfs/dbraw/zinc/82/97/37/601829737.db2.gz PTYHVXJUGWCAQV-UHFFFAOYSA-N -2 0 389.216 2.591 20 0 GFADRL Cc1ccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1Br ZINC000832950126 601833656 /nfs/dbraw/zinc/83/36/56/601833656.db2.gz BSBDSNQRBGQWGA-UHFFFAOYSA-N -2 0 377.241 2.713 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])c(Cl)cc1F ZINC000063877577 601834094 /nfs/dbraw/zinc/83/40/94/601834094.db2.gz CGOHGTLIBUAMNH-UHFFFAOYSA-N -3 0 391.735 2.815 20 0 GFADRL CCCCOc1ccc(OC)cc1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000829421813 601834535 /nfs/dbraw/zinc/83/45/35/601834535.db2.gz IMLKXBRXIORZBM-UHFFFAOYSA-N -2 0 386.451 2.830 20 0 GFADRL Cc1nc(-c2cccc([N-]S(=O)(=O)c3csnc3C(=O)[O-])c2)oc1C ZINC000832991252 601837245 /nfs/dbraw/zinc/83/72/45/601837245.db2.gz FIOTXFKCRYIEEH-UHFFFAOYSA-N -2 0 379.419 2.914 20 0 GFADRL Cn1nc(-c2ccncc2)cc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000833060114 601844018 /nfs/dbraw/zinc/84/40/18/601844018.db2.gz QQNQUYXHHUYTDR-UHFFFAOYSA-N -2 0 392.824 2.635 20 0 GFADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)N(CCC(=O)[O-])c1cccc(F)c1 ZINC000832851824 601986286 /nfs/dbraw/zinc/98/62/86/601986286.db2.gz HYMURIIQSUZMEF-UHFFFAOYSA-N -2 0 381.381 2.502 20 0 GFADRL Cc1coc(-c2cc([N-]S(=O)(=O)c3csnc3C(=O)[O-])ccc2C)n1 ZINC000832987700 601989646 /nfs/dbraw/zinc/98/96/46/601989646.db2.gz KVBIJPUMCCAOFE-UHFFFAOYSA-N -2 0 379.419 2.914 20 0 GFADRL CC(C)COc1ccc(S(=O)(=O)[N-]c2nnc(CCCC(=O)[O-])s2)cc1 ZINC000826905781 602104489 /nfs/dbraw/zinc/10/44/89/602104489.db2.gz UDRRWCXRDIYZPI-UHFFFAOYSA-N -2 0 399.494 2.781 20 0 GFADRL COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])cs1 ZINC000831385412 602115710 /nfs/dbraw/zinc/11/57/10/602115710.db2.gz VJSLOMLNVCFCEZ-UHFFFAOYSA-N -2 0 375.811 2.687 20 0 GFADRL O=C([O-])c1nscc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000833298357 602202028 /nfs/dbraw/zinc/20/20/28/602202028.db2.gz YKVXFLXEOAQCDY-UHFFFAOYSA-N -3 0 397.217 2.647 20 0 GFADRL Cc1ccn(-c2ccccc2[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)n1 ZINC000832982531 602309846 /nfs/dbraw/zinc/30/98/46/602309846.db2.gz IXOYKAFZESWYIQ-UHFFFAOYSA-N -2 0 393.371 2.958 20 0 GFADRL C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-])c1ccccc1 ZINC000826044064 602323350 /nfs/dbraw/zinc/32/33/50/602323350.db2.gz BHRJJFCCIKXWEV-SJKOYZFVSA-N -2 0 383.379 2.909 20 0 GFADRL CN(Cc1cccc([N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)c1)C(=O)[O-] ZINC000739711877 602655158 /nfs/dbraw/zinc/65/51/58/602655158.db2.gz HFTJEUBTPJRWKO-UHFFFAOYSA-N -2 0 386.433 2.783 20 0 GFADRL O=C([O-])NCc1cccc([N-]S(=O)(=O)c2c(Cl)nc3ccccn32)c1 ZINC000740680331 602656332 /nfs/dbraw/zinc/65/63/32/602656332.db2.gz PQTSGVNDNIIXOF-UHFFFAOYSA-N -2 0 380.813 2.556 20 0 GFADRL Cc1ccc(S(=O)(=O)Nc2cccc3c2CCN(C(=O)[O-])C3)cc1C(=O)[O-] ZINC000740151017 603182945 /nfs/dbraw/zinc/18/29/45/603182945.db2.gz RWAUMNJIIJVOCX-UHFFFAOYSA-N -2 0 390.417 2.530 20 0 GFADRL CCN(Cc1ccccc1[N-]S(=O)(=O)c1c(C)nn(CC)c1C)C(=O)[O-] ZINC000827187086 603240555 /nfs/dbraw/zinc/24/05/55/603240555.db2.gz OWFBBMLMUKQLBY-UHFFFAOYSA-N -2 0 380.470 2.821 20 0 GFADRL Cc1c(C(=O)Nc2cccc(Cl)c2[O-])nnn1C1CCN(C(=O)[O-])CC1 ZINC000740042756 603309747 /nfs/dbraw/zinc/30/97/47/603309747.db2.gz ZXWVVGMIVYYRQH-UHFFFAOYSA-N -2 0 379.804 2.513 20 0 GFADRL COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)[N-]S(=O)(=O)CC(C)(C)C ZINC000829186943 603447356 /nfs/dbraw/zinc/44/73/56/603447356.db2.gz AFMSSDOVSSPDAP-UHFFFAOYSA-N -2 0 378.834 2.544 20 0 GFADRL O=C([O-])NC[C@@H]1CCCN(C(=O)c2cc(Cl)cc(Br)c2[O-])C1 ZINC000832534324 603750143 /nfs/dbraw/zinc/75/01/43/603750143.db2.gz UPTVFBUHLQQMIK-QMMMGPOBSA-N -2 0 391.649 2.928 20 0 GFADRL Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000830245850 604208361 /nfs/dbraw/zinc/20/83/61/604208361.db2.gz UCWRFJJHDCFPIV-TZMCWYRMSA-N -2 0 382.482 2.534 20 0 GFADRL O=C([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1nnc(C(F)(F)F)s1 ZINC000833318000 604403553 /nfs/dbraw/zinc/40/35/53/604403553.db2.gz RJYOVMFAJGHOQJ-UHFFFAOYSA-N -2 0 387.748 2.709 20 0 GFADRL CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-] ZINC000827016985 604438203 /nfs/dbraw/zinc/43/82/03/604438203.db2.gz UZVKKWRTAFFUPU-INIZCTEOSA-N -2 0 389.452 2.652 20 0 GFADRL COc1ccc2nc(Cl)ccc2c1S(=O)(=O)[N-]c1cncc(C(=O)[O-])c1 ZINC000833735396 604536102 /nfs/dbraw/zinc/53/61/02/604536102.db2.gz ZLBALVGURXPSTC-UHFFFAOYSA-N -2 0 393.808 2.791 20 0 GFADRL Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC000832918960 604633758 /nfs/dbraw/zinc/63/37/58/604633758.db2.gz QZCATSUJOMKOQX-UHFFFAOYSA-N -2 0 387.772 2.985 20 0 GFADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000832868677 604809541 /nfs/dbraw/zinc/80/95/41/604809541.db2.gz RJTNFLVKYXZRTC-UHFFFAOYSA-N -2 0 399.808 2.611 20 0 GFADRL CN(C(=O)c1cc(Br)cc(Cl)c1[O-])[C@@H]1CCN(C(=O)[O-])C1 ZINC000827927156 604923449 /nfs/dbraw/zinc/92/34/49/604923449.db2.gz LUNGQGQNEZCGDC-MRVPVSSYSA-N -2 0 377.622 2.632 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2cc(C3CCCC3)nn2C)cc1C(=O)[O-] ZINC000833734613 605078070 /nfs/dbraw/zinc/07/80/70/605078070.db2.gz PZVBKJFMXNRPNH-UHFFFAOYSA-N -2 0 379.438 2.585 20 0 GFADRL Cc1cc(F)cc(C(=O)[O-])c1NS(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC000833744508 605125577 /nfs/dbraw/zinc/12/55/77/605125577.db2.gz DKJZUAYFRYNHLC-UHFFFAOYSA-N -2 0 393.392 2.749 20 0 GFADRL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)c1cc2c(cc1Cl)NC(=O)C2 ZINC000833741484 605127543 /nfs/dbraw/zinc/12/75/43/605127543.db2.gz OTUHBOGXWNOCHH-UHFFFAOYSA-N -2 0 386.838 2.704 20 0 GFADRL Cc1cnn(-c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2cc(F)cc(F)c2)c1 ZINC000833753886 605189716 /nfs/dbraw/zinc/18/97/16/605189716.db2.gz AYROAODBXBKESK-UHFFFAOYSA-N -2 0 393.371 2.958 20 0 GFADRL CC(C)(C)c1nc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)sc1C(=O)[O-] ZINC000833450631 605301981 /nfs/dbraw/zinc/30/19/81/605301981.db2.gz GSRFCUIBLQCYME-UHFFFAOYSA-N -2 0 384.435 2.668 20 0 GFADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CC[C@@H](NC(=O)[O-])C[C@H]3C)n2)c1 ZINC000824470320 605359786 /nfs/dbraw/zinc/35/97/86/605359786.db2.gz NZEHNHKHPYRGBJ-UKRRQHHQSA-N -2 0 386.452 2.962 20 0 GFADRL O=C([O-])Cn1ccc2cc(NC(=O)[C@@H](CNC(=O)[O-])c3ccccc3)ccc21 ZINC000834069714 606059753 /nfs/dbraw/zinc/05/97/53/606059753.db2.gz WYICRSLLMHLDLF-INIZCTEOSA-N -2 0 381.388 2.716 20 0 GFADRL O=C([O-])N[C@@H]1CC[C@@H](C(=O)NC[C@H](Cc2ccc3ccccc3c2)C(=O)[O-])C1 ZINC000834168869 606062657 /nfs/dbraw/zinc/06/26/57/606062657.db2.gz IRTIXIRZCUSLFB-FGTMMUONSA-N -2 0 384.432 2.636 20 0 GFADRL O=C([O-])COc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)[O-])cc1Cl ZINC000834064944 606069870 /nfs/dbraw/zinc/06/98/70/606069870.db2.gz HEKPZEQDZCIWAO-CQSZACIVSA-N -2 0 392.795 2.621 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2cnc3c(c2)C[C@H](NC(=O)[O-])CC3)cc(C)c1F ZINC000833900764 606078236 /nfs/dbraw/zinc/07/82/36/606078236.db2.gz AEESUEZMBBTLFO-CYBMUJFWSA-N -2 0 393.440 2.763 20 0 GFADRL O=C([O-])Nc1ccc(C(=O)[N-]S(=O)(=O)c2cncc(Cl)c2)c(Cl)c1 ZINC000834256392 606095817 /nfs/dbraw/zinc/09/58/17/606095817.db2.gz OVIXNGQLBRWFDE-UHFFFAOYSA-N -2 0 390.204 2.597 20 0 GFADRL C[C@@H](c1ccc(Cl)cc1Cl)S(=O)(=O)[N-]C(=O)CCCNC(=O)[O-] ZINC000833547194 660808515 /nfs/dbraw/zinc/80/85/15/660808515.db2.gz BENDGEJOLKEYEG-QMMMGPOBSA-N -2 0 383.253 2.548 20 0 GFADRL Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(Br)nc2)cc1C(=O)[O-] ZINC000156365212 655092159 /nfs/dbraw/zinc/09/21/59/655092159.db2.gz AMXZJNSQHNYDJI-UHFFFAOYSA-N -2 0 389.202 2.791 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2ccc(Br)nc2)cc(C(=O)[O-])c1F ZINC000165634564 655140643 /nfs/dbraw/zinc/14/06/43/655140643.db2.gz DHFLIIOYPARBTA-UHFFFAOYSA-N -2 0 389.202 2.791 20 0 GFADRL COc1cc(S(=O)(=O)[N-]c2ccc(Cl)nc2C)cc(C(=O)[O-])c1OC ZINC000327692347 655386523 /nfs/dbraw/zinc/38/65/23/655386523.db2.gz TUKLBBZMXJVYTJ-UHFFFAOYSA-N -2 0 386.813 2.560 20 0 GFADRL Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000731339283 655583254 /nfs/dbraw/zinc/58/32/54/655583254.db2.gz RRIRINQDMPTGHY-UHFFFAOYSA-N -2 0 378.237 2.843 20 0 GFADRL CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc3[n-]c(=S)oc3c2)c1 ZINC000735841462 655653922 /nfs/dbraw/zinc/65/39/22/655653922.db2.gz RDHSGXZUCVCENY-UHFFFAOYSA-N -2 0 378.431 2.868 20 0 GFADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1cc(-c2ccccc2)ccc1Cl ZINC000739692126 655694261 /nfs/dbraw/zinc/69/42/61/655694261.db2.gz MPTPLOQIKSOWTN-UHFFFAOYSA-N -2 0 381.837 2.931 20 0 GFADRL Cc1noc(C)c1[N-]S(=O)(=O)c1ccc(Br)c(C(=O)[O-])c1 ZINC000748691669 655793968 /nfs/dbraw/zinc/79/39/68/655793968.db2.gz NYWFHIQDEUBQGV-UHFFFAOYSA-N -2 0 375.200 2.553 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(Br)nc2)c1F ZINC000765142944 656133391 /nfs/dbraw/zinc/13/33/91/656133391.db2.gz UAFKWLKZDFFVEF-UHFFFAOYSA-N -2 0 389.202 2.791 20 0 GFADRL COc1cc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)cnc1Cl ZINC000767458227 656204439 /nfs/dbraw/zinc/20/44/39/656204439.db2.gz CLFVZWFDXUBEOG-UHFFFAOYSA-N -2 0 384.841 2.907 20 0 GFADRL COCc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(OC)cc2Cl)c1 ZINC000790385502 657966083 /nfs/dbraw/zinc/96/60/83/657966083.db2.gz SQHZAYQACIBDPT-UHFFFAOYSA-N -2 0 385.825 2.994 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc3[nH]c(=O)oc32)c1Cl ZINC000811709255 660014619 /nfs/dbraw/zinc/01/46/19/660014619.db2.gz YJDFGFHBVIQTGP-UHFFFAOYSA-N -2 0 382.781 2.994 20 0 GFADRL C[C@@H]1CCN(C(=O)c2cc(F)cc(Cl)c2[O-])C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000856417572 662032631 /nfs/dbraw/zinc/03/26/31/662032631.db2.gz ZOVAFAJZYZEPCO-HQJQHLMTSA-N -2 0 382.741 2.714 20 0 GFADRL C[C@@H](NC(=O)c1cc(Br)c([O-])c(Br)c1)[C@@H](C)C(=O)[O-] ZINC000909646792 664165692 /nfs/dbraw/zinc/16/56/92/664165692.db2.gz DJHQMVKNPQBLKE-PHDIDXHHSA-N -2 0 395.047 2.756 20 0 GFADRL CCC[C@@H](CCCC[N-]S(=O)(=O)c1occc1Br)C(=O)[O-] ZINC000926476611 664690478 /nfs/dbraw/zinc/69/04/78/664690478.db2.gz AJPXTXMEFZGSMJ-JTQLQIEISA-N -2 0 382.276 2.992 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnn(CC(F)(F)F)c2)c(Cl)c1 ZINC000130608747 551367219 /nfs/dbraw/zinc/36/72/19/551367219.db2.gz RVPWHSOGHGLOAP-UHFFFAOYSA-N -2 0 383.735 2.598 20 0 GFADRL Cc1ccc(Br)cc1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000155172707 551493682 /nfs/dbraw/zinc/49/36/82/551493682.db2.gz LDVYIAZQEGFWQN-UHFFFAOYSA-N -2 0 389.209 2.655 20 0 GFADRL CC(C)(C)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(N)=O)cc1 ZINC000278246610 563246849 /nfs/dbraw/zinc/24/68/49/563246849.db2.gz ZYCOPZGHJWCCBG-UHFFFAOYSA-N -2 0 382.463 2.644 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc3c2OCCC3=O)c(Cl)c1 ZINC000371599602 563282252 /nfs/dbraw/zinc/28/22/52/563282252.db2.gz XWNVZASQICFDDG-UHFFFAOYSA-N -2 0 381.793 2.804 20 0 GFADRL O=C([O-])[C@H](NS(=O)(=O)C[C@H]1CCCCC1(F)F)c1c(F)cccc1F ZINC000296881491 563306165 /nfs/dbraw/zinc/30/61/65/563306165.db2.gz HYMVEUXJBQFGPW-NOZJJQNGSA-N -2 0 383.363 2.835 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)nn1-c1cccc(Cl)c1 ZINC000373176555 563331380 /nfs/dbraw/zinc/33/13/80/563331380.db2.gz GOQNCOSJTHHGIV-UHFFFAOYSA-N -2 0 380.813 2.661 20 0 GFADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2cccc(OC[C@@H]3CCCO3)c2)c1 ZINC000298291347 563350231 /nfs/dbraw/zinc/35/02/31/563350231.db2.gz FQIDUVCZBCUFJD-AWEZNQCLSA-N -2 0 383.447 2.805 20 0 GFADRL CC(C)c1nn(C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000280896583 563359577 /nfs/dbraw/zinc/35/95/77/563359577.db2.gz FMUACXSFGYUHGE-UHFFFAOYSA-N -2 0 375.809 2.835 20 0 GFADRL CCOCCOc1c(Cl)cccc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000299639404 563388205 /nfs/dbraw/zinc/38/82/05/563388205.db2.gz UYHOZQFXFZHDFW-UHFFFAOYSA-N -2 0 388.829 2.582 20 0 GFADRL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000327109418 563456998 /nfs/dbraw/zinc/45/69/98/563456998.db2.gz GBIRJRSCBYVQKG-UHFFFAOYSA-N -2 0 387.772 2.985 20 0 GFADRL CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000431348874 563559532 /nfs/dbraw/zinc/55/95/32/563559532.db2.gz JXCBOLPEBZRUPF-UHFFFAOYSA-N -2 0 386.788 2.801 20 0 GFADRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1sc(C)nc1C ZINC000433495412 563614662 /nfs/dbraw/zinc/61/46/62/563614662.db2.gz FMNPGLJPYIKARL-UHFFFAOYSA-N -2 0 376.843 2.921 20 0 GFADRL COC(=O)c1scc(C)c1[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000436159231 563665733 /nfs/dbraw/zinc/66/57/33/563665733.db2.gz HZAOZJMLCXTQBD-UHFFFAOYSA-N -2 0 387.410 2.790 20 0 GFADRL CCOc1ccncc1S(=O)(=O)[N-]c1ccc(S[C@@H](C)C(=O)[O-])cc1 ZINC000414379344 563731577 /nfs/dbraw/zinc/73/15/77/563731577.db2.gz CLQINBXZYXHDDW-NSHDSACASA-N -2 0 382.463 2.846 20 0 GFADRL COC(=O)[C@@H](C)c1cccc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c1 ZINC000414397547 563733787 /nfs/dbraw/zinc/73/37/87/563733787.db2.gz RROPHZVGWOJRDY-JTQLQIEISA-N -2 0 383.447 2.832 20 0 GFADRL Cc1noc(C)c1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC(F)(F)F ZINC000471972800 564209099 /nfs/dbraw/zinc/20/90/99/564209099.db2.gz KDABFOJAUFHKDT-UHFFFAOYSA-N -2 0 380.300 2.689 20 0 GFADRL O=C([O-])c1cc(Br)cc([N-]S(=O)(=O)c2cncc(Cl)c2)c1 ZINC000507020122 564216376 /nfs/dbraw/zinc/21/63/76/564216376.db2.gz FGXVIDLSIKNBMJ-UHFFFAOYSA-N -2 0 391.630 2.997 20 0 GFADRL Cn1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c(C(F)(F)F)n1 ZINC000541840095 564291618 /nfs/dbraw/zinc/29/16/18/564291618.db2.gz BODPFLHXYURFKC-UHFFFAOYSA-N -2 0 383.735 2.591 20 0 GFADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])c(Cl)c1 ZINC000509572731 564303752 /nfs/dbraw/zinc/30/37/52/564303752.db2.gz VMHYXFAPKZZUKC-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000475735600 564317344 /nfs/dbraw/zinc/31/73/44/564317344.db2.gz RTUPCTRJVKYJNY-UHFFFAOYSA-N -3 0 387.772 2.985 20 0 GFADRL CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000477395634 564374719 /nfs/dbraw/zinc/37/47/19/564374719.db2.gz HSOAWIIRGCDKIB-UHFFFAOYSA-N -2 0 381.431 2.914 20 0 GFADRL COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000544629085 564390826 /nfs/dbraw/zinc/39/08/26/564390826.db2.gz FULHCBMNXXEMLT-JTQLQIEISA-N -2 0 383.447 2.599 20 0 GFADRL C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000568522070 564423168 /nfs/dbraw/zinc/42/31/68/564423168.db2.gz PTZNTOQRGBHYSB-NSHDSACASA-N -2 0 384.479 2.543 20 0 GFADRL CCc1noc2ncc(S(=O)(=O)[N-]c3cccc(Cl)c3C(=O)[O-])cc12 ZINC000547241271 564480689 /nfs/dbraw/zinc/48/06/89/564480689.db2.gz HXXAEDFASGABQP-UHFFFAOYSA-N -2 0 381.797 2.938 20 0 GFADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)c(Cl)c1 ZINC000547871519 564514073 /nfs/dbraw/zinc/51/40/73/564514073.db2.gz LSTBXZLSMXUMMA-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1c[nH]c2nccc(Cl)c21 ZINC000548527667 564555796 /nfs/dbraw/zinc/55/57/96/564555796.db2.gz VBIWOGFXMAHOOY-UHFFFAOYSA-N -2 0 381.797 2.724 20 0 GFADRL CC(C)=CCSC[C@H](NS(=O)(=O)c1cc(C)c(F)cc1F)C(=O)[O-] ZINC000548590746 564565025 /nfs/dbraw/zinc/56/50/25/564565025.db2.gz WRKBPSFOFXXDBK-ZDUSSCGKSA-N -2 0 379.450 2.704 20 0 GFADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(Br)cc2O)c1 ZINC000525751821 564707576 /nfs/dbraw/zinc/70/75/76/564707576.db2.gz NIZBLFMPIFWURL-UHFFFAOYSA-N -2 0 378.225 2.715 20 0 GFADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)c(F)c1 ZINC000526005084 564715185 /nfs/dbraw/zinc/71/51/85/564715185.db2.gz LSNGOBSOZNYQNT-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL CCc1nc(C)c([N-]S(=O)(=O)c2ccc(C)c(OCC(=O)[O-])c2C)s1 ZINC000488990179 564726103 /nfs/dbraw/zinc/72/61/03/564726103.db2.gz GIMUMFOHNLFMDW-UHFFFAOYSA-N -2 0 384.479 2.895 20 0 GFADRL O=C([O-])c1cc(F)c(F)cc1[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000489478790 564740925 /nfs/dbraw/zinc/74/09/25/564740925.db2.gz JDISFPKTAWPOKD-UHFFFAOYSA-N -2 0 382.266 2.878 20 0 GFADRL CC(=O)Nc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000489698969 564749252 /nfs/dbraw/zinc/74/92/52/564749252.db2.gz LGMKGHRJFLWZMD-UHFFFAOYSA-N -2 0 386.788 2.937 20 0 GFADRL O=C([O-])Cc1ccccc1CS(=O)(=O)Nc1cccc(Cl)c1C(=O)[O-] ZINC000582519521 564850324 /nfs/dbraw/zinc/85/03/24/564850324.db2.gz OGBVTADZUJXYHD-UHFFFAOYSA-N -2 0 383.809 2.607 20 0 GFADRL CCC[C@](C)(NS(=O)(=O)c1cc(Cl)ccc1OCCCOC)C(=O)[O-] ZINC000582961860 564870289 /nfs/dbraw/zinc/87/02/89/564870289.db2.gz HFSQSVNXFHNHDQ-INIZCTEOSA-N -2 0 393.889 2.677 20 0 GFADRL CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000466339016 564938161 /nfs/dbraw/zinc/93/81/61/564938161.db2.gz ZNURHRYUSBXNHF-UHFFFAOYSA-N -3 0 381.431 2.914 20 0 GFADRL COc1ccc(O)c([N-]S(=O)(=O)c2cc(OC)c(C(=O)[O-])cc2Cl)c1 ZINC000468751399 564991963 /nfs/dbraw/zinc/99/19/63/564991963.db2.gz ACOGOQYLAMRONR-UHFFFAOYSA-N -2 0 387.797 2.562 20 0 GFADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(CC(C)C)c1C(F)F ZINC000534794706 564996507 /nfs/dbraw/zinc/99/65/07/564996507.db2.gz MLLDFZOTOIZTNN-UHFFFAOYSA-N -2 0 377.369 2.877 20 0 GFADRL O=C(N=c1nc(-c2cccnc2)[n-]s1)c1cccc(Br)c1[O-] ZINC000535231881 565007995 /nfs/dbraw/zinc/00/79/95/565007995.db2.gz VGOUTYUTDRZFAC-UHFFFAOYSA-N -2 0 377.223 2.742 20 0 GFADRL CCn1cc(S(=O)(=O)[N-]c2cc(-c3ccc(C)s3)[nH]n2)cc1C(=O)[O-] ZINC000504223807 565036613 /nfs/dbraw/zinc/03/66/13/565036613.db2.gz XXMMRKRPOCJQQI-UHFFFAOYSA-N -2 0 380.451 2.767 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OCC(F)F)cc1 ZINC000536904902 565050005 /nfs/dbraw/zinc/05/00/05/565050005.db2.gz KSTBIVKEAXBXFY-UHFFFAOYSA-N -2 0 375.324 2.969 20 0 GFADRL CC(=O)Nc1nc(C)c(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)s1 ZINC000589436489 565164451 /nfs/dbraw/zinc/16/44/51/565164451.db2.gz RSUYCYVNCSVNIV-UHFFFAOYSA-N -2 0 389.842 2.562 20 0 GFADRL O=C([O-])c1cc2c(cc1[N-]S(=O)(=O)c1ccc(F)cc1Cl)OCCO2 ZINC000641910317 565401966 /nfs/dbraw/zinc/40/19/66/565401966.db2.gz WTPPMRZNYUMJEJ-UHFFFAOYSA-N -2 0 387.772 2.749 20 0 GFADRL O=C([O-])CC[C@@H](C[N-]S(=O)(=O)c1c(F)cccc1Cl)C(F)(F)F ZINC000663293966 565408202 /nfs/dbraw/zinc/40/82/02/565408202.db2.gz NPEDHRAAFPLWPL-ZETCQYMHSA-N -2 0 377.743 2.801 20 0 GFADRL Cc1ccc([C@@H]([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)C(F)(F)F)o1 ZINC000656180518 566111892 /nfs/dbraw/zinc/11/18/92/566111892.db2.gz INLCNQIVSSMSFH-CQSZACIVSA-N -2 0 377.340 2.797 20 0 GFADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2cc3ccccc3cc2C(=O)[O-])o1 ZINC000730765496 599737201 /nfs/dbraw/zinc/73/72/01/599737201.db2.gz AURHCLIVHPBMDM-UHFFFAOYSA-N -2 0 375.358 2.718 20 0 GFADRL CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)s1 ZINC000736144245 599853469 /nfs/dbraw/zinc/85/34/69/599853469.db2.gz AKVLXIYHFQIILM-LLVKDONJSA-N -2 0 396.490 2.763 20 0 GFADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2ccccc2n1 ZINC000737689507 599883462 /nfs/dbraw/zinc/88/34/62/599883462.db2.gz ZRPXZTOPEGBGBQ-UHFFFAOYSA-N -2 0 386.385 2.520 20 0 GFADRL CCNC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000477426227 600004200 /nfs/dbraw/zinc/00/42/00/600004200.db2.gz IYNGWTZRHFNGAH-UHFFFAOYSA-N -2 0 396.852 2.897 20 0 GFADRL O=C([O-])c1sc2ccccc2c1S(=O)(=O)[N-]c1cccc2c1C(=O)NC2 ZINC000740281178 600053711 /nfs/dbraw/zinc/05/37/11/600053711.db2.gz RFSSTUZBWNSFJW-UHFFFAOYSA-N -2 0 388.426 2.644 20 0 GFADRL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1cnn(Cc2ccccc2)c1 ZINC000740143669 600098388 /nfs/dbraw/zinc/09/83/88/600098388.db2.gz KARANJTYIBUJFP-UHFFFAOYSA-N -2 0 375.381 2.570 20 0 GFADRL O=C([O-])Nc1cc([N-]S(=O)(=O)c2cnn(Cc3ccccc3)c2)ccc1F ZINC000740013388 600101625 /nfs/dbraw/zinc/10/16/25/600101625.db2.gz HZXKQKFZEIBHPX-UHFFFAOYSA-N -2 0 390.396 2.961 20 0 GFADRL Cc1ccc(Cn2nccc2[N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])o1 ZINC000738603006 600102385 /nfs/dbraw/zinc/10/23/85/600102385.db2.gz IHCRKRSKGGXRMW-UHFFFAOYSA-N -2 0 375.406 2.640 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(NC(=O)[O-])c2)c(F)cc1F ZINC000737680469 600233972 /nfs/dbraw/zinc/23/39/72/600233972.db2.gz JNBULYMTZHFYGX-UHFFFAOYSA-N -2 0 386.332 2.642 20 0 GFADRL O=C([O-])c1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1cnn(CC(F)F)c1 ZINC000740122427 600254528 /nfs/dbraw/zinc/25/45/28/600254528.db2.gz DAAGXXXTAJPTBP-UHFFFAOYSA-N -2 0 399.297 2.666 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)c(C(=O)[O-])[nH]1 ZINC000738461465 600255827 /nfs/dbraw/zinc/25/58/27/600255827.db2.gz DJHWPDSTLMPHQR-UHFFFAOYSA-N -3 0 393.204 2.827 20 0 GFADRL Cc1ccc(Cn2nccc2[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)o1 ZINC000738604757 600424195 /nfs/dbraw/zinc/42/41/95/600424195.db2.gz MKWFAQSSXUJYNN-UHFFFAOYSA-N -2 0 397.359 2.610 20 0 GFADRL O=C([O-])c1ccnc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)c1 ZINC000740245621 600428226 /nfs/dbraw/zinc/42/82/26/600428226.db2.gz UOIXXAGYHDNGRI-UHFFFAOYSA-N -2 0 397.412 2.833 20 0 GFADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)c(F)c2)c1C(=O)[O-] ZINC000738969652 600458902 /nfs/dbraw/zinc/45/89/02/600458902.db2.gz OGVXDUNNCHSAGX-UHFFFAOYSA-N -2 0 396.396 2.661 20 0 GFADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000739695007 600466071 /nfs/dbraw/zinc/46/60/71/600466071.db2.gz ACQWXYWPBUZBRN-QGZVFWFLSA-N -2 0 393.486 2.831 20 0 GFADRL CC(C)(C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000267230284 600627547 /nfs/dbraw/zinc/62/75/47/600627547.db2.gz WFWPDMIAMBQHJK-UHFFFAOYSA-N -2 0 390.461 2.643 20 0 GFADRL CC(C)[C@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000736359116 600656858 /nfs/dbraw/zinc/65/68/58/600656858.db2.gz UNYXPNZGGNJHOI-ZDUSSCGKSA-N -2 0 381.475 2.766 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2ccnn2[C@H](C)CC(C)C)cc1C(=O)[O-] ZINC000738069903 600659530 /nfs/dbraw/zinc/65/95/30/600659530.db2.gz OBOATVZZYFWUHO-GFCCVEGCSA-N -2 0 381.454 2.998 20 0 GFADRL COc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2cccc(F)c2C)c(OC)c1OC ZINC000484556836 600672253 /nfs/dbraw/zinc/67/22/53/600672253.db2.gz LOYLUDMDCDWCRO-UHFFFAOYSA-N -2 0 399.396 2.659 20 0 GFADRL CCCn1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Br)cn1 ZINC000747616636 600686927 /nfs/dbraw/zinc/68/69/27/600686927.db2.gz OJBOQOBBIQDDPW-UHFFFAOYSA-N -2 0 388.243 2.555 20 0 GFADRL COC(=O)c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2F)cc1C(=O)[O-] ZINC000831435284 600689913 /nfs/dbraw/zinc/68/99/13/600689913.db2.gz SVARCRVYYQOMHV-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL CN(C)c1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000605651560 600809567 /nfs/dbraw/zinc/80/95/67/600809567.db2.gz PNXKVEGZBKYYGY-UHFFFAOYSA-N -2 0 391.371 2.609 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C(=O)N(C)C)cc1C(=O)[O-] ZINC000032592489 600810191 /nfs/dbraw/zinc/81/01/91/600810191.db2.gz NPCXVLUYWMEKAV-UHFFFAOYSA-N -2 0 396.852 2.849 20 0 GFADRL CCn1nc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC(C)C)c1C ZINC000267892379 600891158 /nfs/dbraw/zinc/89/11/58/600891158.db2.gz UVHWJRYGBDCAPJ-UHFFFAOYSA-N -2 0 381.454 2.806 20 0 GFADRL CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000829010014 600943390 /nfs/dbraw/zinc/94/33/90/600943390.db2.gz ZBZIHPKYPUIXFB-COXVUDFISA-N -2 0 397.493 2.705 20 0 GFADRL CC(C)[C@H](C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000826677762 600943589 /nfs/dbraw/zinc/94/35/89/600943589.db2.gz ZDWBTQGZNJOQNC-KRWDZBQOSA-N -2 0 375.446 2.771 20 0 GFADRL Cc1cccc(Cn2nccc2[N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000832969537 600976615 /nfs/dbraw/zinc/97/66/15/600976615.db2.gz KUYXNEKIQAEBPM-UHFFFAOYSA-N -2 0 377.447 2.800 20 0 GFADRL CCc1cnc([N-]S(=O)(=O)c2ccc(Br)c(C(=O)[O-])c2)s1 ZINC000830298835 600985294 /nfs/dbraw/zinc/98/52/94/600985294.db2.gz GVVXUHPFOSGZIH-UHFFFAOYSA-N -2 0 391.268 2.967 20 0 GFADRL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC000460832018 601048300 /nfs/dbraw/zinc/04/83/00/601048300.db2.gz WGPDAGLQOFSPDJ-UHFFFAOYSA-N -2 0 379.344 2.650 20 0 GFADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2c3nsnc3ccc2Cl)c1 ZINC000325043531 601117747 /nfs/dbraw/zinc/11/77/47/601117747.db2.gz LMEHHWGGNAHJRG-UHFFFAOYSA-N -2 0 387.801 2.983 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cccc(N2CCCC2)c1 ZINC000831946671 601200912 /nfs/dbraw/zinc/20/09/12/601200912.db2.gz WXHXEAPWMWBFHA-UHFFFAOYSA-N -2 0 382.463 2.856 20 0 GFADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCCC[C@H]3O)cc2)c1 ZINC000442242669 601203429 /nfs/dbraw/zinc/20/34/29/601203429.db2.gz NRJSYVVVRPUIJR-HUUCEWRRSA-N -2 0 397.474 2.929 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)n(Cc2ccccc2)n1 ZINC000832898938 601229475 /nfs/dbraw/zinc/22/94/75/601229475.db2.gz ZXZOOZJDBYHPIL-UHFFFAOYSA-N -2 0 375.406 2.640 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2cccc(OC[C@@H]3CCCO3)c2)cc1C(=O)[O-] ZINC000833030160 601232266 /nfs/dbraw/zinc/23/22/66/601232266.db2.gz SKLYEJKMPCPHBZ-AWEZNQCLSA-N -2 0 381.406 2.645 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc(C(F)(F)F)c2)cc1C(=O)[O-] ZINC000833027828 601232894 /nfs/dbraw/zinc/23/28/94/601232894.db2.gz YESKYXAQHPSZEZ-UHFFFAOYSA-N -3 0 393.295 2.804 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2cccc(Cl)c2-n2cccn2)cc1C(=O)[O-] ZINC000833030439 601233326 /nfs/dbraw/zinc/23/33/26/601233326.db2.gz WGAFGSZNIVNVDX-UHFFFAOYSA-N -2 0 381.797 2.926 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2cc(F)ccc2OC[C@@H]2CCCO2)cc1C(=O)[O-] ZINC000833029390 601234392 /nfs/dbraw/zinc/23/43/92/601234392.db2.gz HZBDZLKOQQGTMW-LBPRGKRZSA-N -2 0 399.396 2.784 20 0 GFADRL O=C([O-])CCCOc1ccc(NC(=O)CSc2n[n-]c(=S)s2)cc1 ZINC000833227456 601285694 /nfs/dbraw/zinc/28/56/94/601285694.db2.gz KBXRXWLRVKSRFR-UHFFFAOYSA-N -2 0 385.492 2.801 20 0 GFADRL Cc1cc(C)c(NS(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)c(C(=O)[O-])c1 ZINC000832874254 601329461 /nfs/dbraw/zinc/32/94/61/601329461.db2.gz JFISLNKDGIGCDM-VMPITWQZSA-N -2 0 375.402 2.900 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nn(-c2ccccc2)cc1C ZINC000592713761 601330838 /nfs/dbraw/zinc/33/08/38/601330838.db2.gz AXENJOXLTCOLLY-UHFFFAOYSA-N -2 0 387.417 2.688 20 0 GFADRL COc1ccc2nc([N-]S(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)sc2c1 ZINC000013366967 601357910 /nfs/dbraw/zinc/35/79/10/601357910.db2.gz MIOLIZAVZKGWDW-UHFFFAOYSA-N -2 0 382.394 2.943 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C)nn1-c1ccccc1 ZINC000832204252 601358812 /nfs/dbraw/zinc/35/88/12/601358812.db2.gz TZHBZBAYYITMTM-UHFFFAOYSA-N -2 0 387.417 2.688 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2nnc(Cc3ccccc3F)s2)cc1 ZINC000833324195 601503752 /nfs/dbraw/zinc/50/37/52/601503752.db2.gz MKLWLSXSUUJPDM-UHFFFAOYSA-N -2 0 393.421 2.767 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2nnc(Cc3ccc(F)cc3)s2)s1 ZINC000833324224 601504170 /nfs/dbraw/zinc/50/41/70/601504170.db2.gz PDZRNOSYLFQLQL-UHFFFAOYSA-N -2 0 399.450 2.829 20 0 GFADRL CC[C@@H](NC(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1[O-])C(=O)[O-] ZINC000769562654 601752973 /nfs/dbraw/zinc/75/29/73/601752973.db2.gz KCXJFYALTFDSIM-LLVKDONJSA-N -2 0 382.825 2.952 20 0 GFADRL O=C([O-])CCCNC(=O)c1nn(-c2ccc(Cl)cc2C(F)(F)F)cc1[O-] ZINC000833227017 601756257 /nfs/dbraw/zinc/75/62/57/601756257.db2.gz MRRHYIAMNDWRHI-UHFFFAOYSA-N -2 0 391.733 2.845 20 0 GFADRL Cc1ccc([C@@H](CNC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])C(=O)[O-])cc1 ZINC000832921899 601756901 /nfs/dbraw/zinc/75/69/01/601756901.db2.gz BIUZRRLQJFRQDS-MRXNPFEDSA-N -2 0 383.379 2.624 20 0 GFADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ncccc1OCC1CCCCC1 ZINC000833346923 601768568 /nfs/dbraw/zinc/76/85/68/601768568.db2.gz XDBUUVLAJSDFIL-UHFFFAOYSA-N -2 0 397.478 2.996 20 0 GFADRL Cn1cc([N-]S(=O)(=O)c2cc(Br)ccc2Cl)cc1C(=O)[O-] ZINC000833050002 601783762 /nfs/dbraw/zinc/78/37/62/601783762.db2.gz CEYXUCUOVACBHL-UHFFFAOYSA-N -2 0 393.646 2.940 20 0 GFADRL O=C([O-])CCN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000013359526 601826776 /nfs/dbraw/zinc/82/67/76/601826776.db2.gz JDHYCTZXXGLXLU-UHFFFAOYSA-N -2 0 397.836 2.704 20 0 GFADRL COC(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000326909839 601826904 /nfs/dbraw/zinc/82/69/04/601826904.db2.gz NYUZTJUDDMKRDI-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2N2CCCC2=O)ccc1Cl ZINC000028809923 601827298 /nfs/dbraw/zinc/82/72/98/601827298.db2.gz FEBMPGHDEPDLOH-UHFFFAOYSA-N -2 0 394.836 2.966 20 0 GFADRL O=C([O-])CCOc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000739671454 601829870 /nfs/dbraw/zinc/82/98/70/601829870.db2.gz FFPRNWGMZKLMKL-UHFFFAOYSA-N -2 0 399.808 2.693 20 0 GFADRL COC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)c(F)cc2F)cc1C(=O)[O-] ZINC000831435431 601830506 /nfs/dbraw/zinc/83/05/06/601830506.db2.gz WPULMXRHTKBIJG-UHFFFAOYSA-N -2 0 385.344 2.559 20 0 GFADRL COc1cc([N-]S(=O)(=O)c2cc(C)c(F)cc2F)c(C(=O)[O-])cc1OC ZINC000484607128 601830754 /nfs/dbraw/zinc/83/07/54/601830754.db2.gz QGQAZOSYVTVUGZ-UHFFFAOYSA-N -2 0 387.360 2.789 20 0 GFADRL O=C([O-])c1cc(NS(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)ccc1Cl ZINC000751146532 601838617 /nfs/dbraw/zinc/83/86/17/601838617.db2.gz VPOJEXDTJKUMQK-UHFFFAOYSA-N -2 0 391.735 2.815 20 0 GFADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ccc(OCc2cccnc2)cc1 ZINC000833346099 601841547 /nfs/dbraw/zinc/84/15/47/601841547.db2.gz KKDHOUBXYOSMMN-UHFFFAOYSA-N -2 0 391.430 2.616 20 0 GFADRL CC(C)c1cc([N-]S(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2)n[nH]1 ZINC000827112776 601850908 /nfs/dbraw/zinc/85/09/08/601850908.db2.gz QEBWURAGSJNWBD-UHFFFAOYSA-N -2 0 388.243 2.795 20 0 GFADRL Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])s1 ZINC000832933960 601881845 /nfs/dbraw/zinc/88/18/45/601881845.db2.gz KHIBHUHYJPLGMX-UHFFFAOYSA-N -3 0 389.838 2.836 20 0 GFADRL O=C([O-])N1CCc2nc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)sc2C1 ZINC000740529342 601977400 /nfs/dbraw/zinc/97/74/00/601977400.db2.gz GKCWJBQUITUNKS-UHFFFAOYSA-N -2 0 391.833 2.773 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)c2cncc(-c3ccccc3)c2)s1 ZINC000833148744 601980755 /nfs/dbraw/zinc/98/07/55/601980755.db2.gz QURHYDFZTRSNFN-UHFFFAOYSA-N -2 0 388.426 2.627 20 0 GFADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)cc(Cl)c1 ZINC000831373297 601986094 /nfs/dbraw/zinc/98/60/94/601986094.db2.gz FIQHBTWCSJYYQC-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL O=C([O-])c1ccc(OCc2ccccc2)c([N-]S(=O)(=O)C[C@@H]2CCCO2)c1 ZINC000833324038 601987719 /nfs/dbraw/zinc/98/77/19/601987719.db2.gz RKQCSQABWDXVKX-INIZCTEOSA-N -2 0 391.445 2.885 20 0 GFADRL O=C([O-])c1csc([N-]S(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)c1 ZINC000833344006 602115132 /nfs/dbraw/zinc/11/51/32/602115132.db2.gz WZWOELITBJAKGY-UHFFFAOYSA-N -2 0 394.352 2.748 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cc(F)cc(F)c1OC ZINC000831945924 602119672 /nfs/dbraw/zinc/11/96/72/602119672.db2.gz MHAWEXUEEXMLFD-UHFFFAOYSA-N -2 0 379.362 2.543 20 0 GFADRL Cc1c(S(=O)(=O)[N-]c2csnc2C(=O)[O-])cnn1-c1ccc(Cl)cc1 ZINC000832855827 602155742 /nfs/dbraw/zinc/15/57/42/602155742.db2.gz FBPOLWCYPMNLEG-UHFFFAOYSA-N -2 0 398.853 2.790 20 0 GFADRL O=C([O-])c1nscc1[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000833347045 602156204 /nfs/dbraw/zinc/15/62/04/602156204.db2.gz SLEFIIOXRBGIAU-UHFFFAOYSA-N -2 0 399.194 2.683 20 0 GFADRL O=C([O-])c1csc(S(=O)(=O)[N-][C@@H](Cc2ccccc2)C(F)(F)F)c1 ZINC000833343585 602213408 /nfs/dbraw/zinc/21/34/08/602213408.db2.gz ITMBQZARCJCGRO-NSHDSACASA-N -2 0 379.381 2.898 20 0 GFADRL O=C([O-])Nc1cccc(C(=O)[N-]S(=O)(=O)c2ccc(F)c3ncccc23)c1 ZINC000740033304 602214405 /nfs/dbraw/zinc/21/44/05/602214405.db2.gz KEHQTOWCKJXQNJ-UHFFFAOYSA-N -2 0 389.364 2.583 20 0 GFADRL COc1ccc(NC(=O)[O-])c([N-]S(=O)(=O)c2c(C)nn(C(C)C)c2C)c1 ZINC000739916939 602869311 /nfs/dbraw/zinc/86/93/11/602869311.db2.gz BNXWVKNBSPIACJ-UHFFFAOYSA-N -2 0 382.442 2.980 20 0 GFADRL O=C([O-])N1CCCN(C(=O)c2cc(Cl)cc(Br)c2[O-])CC1 ZINC000832015679 603837418 /nfs/dbraw/zinc/83/74/18/603837418.db2.gz UJHOBUAASOBATB-UHFFFAOYSA-N -2 0 377.622 2.634 20 0 GFADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CC[C@H](CN(C)C(=O)[O-])C3)n2)c1 ZINC000824470834 603838839 /nfs/dbraw/zinc/83/88/39/603838839.db2.gz VIQKGNKRQFHTIG-CQSZACIVSA-N -2 0 386.452 2.773 20 0 GFADRL O=C([O-])N1CCc2c1cccc2[N-]S(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000832080277 604015499 /nfs/dbraw/zinc/01/54/99/604015499.db2.gz VBDZDTZWXAMDFF-UHFFFAOYSA-N -2 0 384.417 2.714 20 0 GFADRL C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1)C1CCN(C(=O)[O-])CC1 ZINC000824680149 604383161 /nfs/dbraw/zinc/38/31/61/604383161.db2.gz RNTHRIGUNIBGJZ-NSHDSACASA-N -2 0 388.873 2.561 20 0 GFADRL Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)C[C@H](C)[C@@H]2CCCN(C(=O)[O-])C2)c1 ZINC000830276066 604395108 /nfs/dbraw/zinc/39/51/08/604395108.db2.gz ZJRTXKIOAWLOGP-LSDHHAIUSA-N -2 0 382.482 2.525 20 0 GFADRL CCc1nc(-c2ccccc2[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)n[nH]1 ZINC000535139216 604537400 /nfs/dbraw/zinc/53/74/00/604537400.db2.gz SHXIGOXFUZMKSY-UHFFFAOYSA-N -2 0 386.433 2.842 20 0 GFADRL Cc1cc([C@H](C)OC(=O)c2cc(F)ccc2[N-]S(C)(=O)=O)oc1C(=O)[O-] ZINC000832875838 604565086 /nfs/dbraw/zinc/56/50/86/604565086.db2.gz PPCJTBFCKVAZMA-VIFPVBQESA-N -2 0 385.369 2.715 20 0 GFADRL O=C([O-])CCc1csc([N-]S(=O)(=O)c2ccccc2OC(F)F)n1 ZINC000833244203 604626569 /nfs/dbraw/zinc/62/65/69/604626569.db2.gz WJOWGBKBCLCSJD-UHFFFAOYSA-N -2 0 378.378 2.563 20 0 GFADRL CC(C)CNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1C(=O)[O-] ZINC000833489637 604744886 /nfs/dbraw/zinc/74/48/86/604744886.db2.gz PFIYAAOBMFKZOC-UHFFFAOYSA-N -2 0 394.424 2.711 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc(SC(F)F)nc1 ZINC000831946685 604800721 /nfs/dbraw/zinc/80/07/21/604800721.db2.gz XPRGLJFEUNTDCE-UHFFFAOYSA-N -2 0 396.418 2.965 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2cc(CC(C)(C)C)[nH]n2)c(OC)c1C(=O)[O-] ZINC000833734392 604861332 /nfs/dbraw/zinc/86/13/32/604861332.db2.gz BHQUQXGLMPCUIK-UHFFFAOYSA-N -2 0 397.453 2.515 20 0 GFADRL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])s2)cc1Cl ZINC000833398300 605022160 /nfs/dbraw/zinc/02/21/60/605022160.db2.gz FYNUPDFBAKVIIE-UHFFFAOYSA-N -2 0 392.817 2.998 20 0 GFADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cc(OC)c1C(C)C ZINC000484195800 605419769 /nfs/dbraw/zinc/41/97/69/605419769.db2.gz UOZXSJDSMFQEBD-UHFFFAOYSA-N -2 0 382.438 2.665 20 0 GFADRL C[C@@H]1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000833609403 605486569 /nfs/dbraw/zinc/48/65/69/605486569.db2.gz RNTLCIHNWWMELG-PELKAZGASA-N -2 0 379.356 2.645 20 0 GFADRL Cc1ccc(C[C@@H](C)C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000833748818 605495251 /nfs/dbraw/zinc/49/52/51/605495251.db2.gz UTYDZUGTQCZASA-CQSZACIVSA-N -2 0 375.446 2.518 20 0 GFADRL O=C([O-])Nc1ccc(CC(=O)Nc2ccccc2-n2ccc(C(=O)[O-])n2)cc1 ZINC000834255925 606050903 /nfs/dbraw/zinc/05/09/03/606050903.db2.gz MNUNYZUIRXATBH-UHFFFAOYSA-N -2 0 380.360 2.842 20 0 GFADRL O=C([O-])CCC1CCN(C(=O)C2(c3ccccc3)CCN(C(=O)[O-])CC2)CC1 ZINC000834059748 606113513 /nfs/dbraw/zinc/11/35/13/606113513.db2.gz KRRPHBZJLQJYTN-UHFFFAOYSA-N -2 0 388.464 2.802 20 0 GFADRL C[C@H](c1ccc(Cl)cc1Cl)S(=O)(=O)[N-]C(=O)CCCN(C)C(=O)[O-] ZINC000833548354 660808508 /nfs/dbraw/zinc/80/85/08/660808508.db2.gz NVQORTRPLQSXJP-SECBINFHSA-N -2 0 397.280 2.890 20 0 GFADRL CN(C)C(=O)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)ccc1Cl ZINC000032630445 654606736 /nfs/dbraw/zinc/60/67/36/654606736.db2.gz LPFVGFGYEFFVHX-UHFFFAOYSA-N -2 0 388.854 2.602 20 0 GFADRL CCNC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000042795414 654644673 /nfs/dbraw/zinc/64/46/73/654644673.db2.gz GQEBNFPBGDGJSY-UHFFFAOYSA-N -2 0 382.825 2.589 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2cnn(Cc3ccccc3)c2)sc1C(=O)[O-] ZINC000048382968 654705847 /nfs/dbraw/zinc/70/58/47/654705847.db2.gz WUCWLZFAOLVJCC-UHFFFAOYSA-N -2 0 377.447 2.800 20 0 GFADRL COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(C(=O)[O-])c1 ZINC000577820599 655467817 /nfs/dbraw/zinc/46/78/17/655467817.db2.gz ZJRZPYAACGLYLY-UHFFFAOYSA-N -3 0 385.781 2.546 20 0 GFADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1c(Cl)nc2sccn21 ZINC000743263563 655727520 /nfs/dbraw/zinc/72/75/20/655727520.db2.gz JRPHRYHTHMOYNK-UHFFFAOYSA-N -2 0 387.826 2.557 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)[nH]n2)cc(C(=O)[O-])c1Cl ZINC000760274048 655974101 /nfs/dbraw/zinc/97/41/01/655974101.db2.gz RNSKHXMBNLVILE-UHFFFAOYSA-N -2 0 383.735 2.889 20 0 GFADRL C[S@@](=O)Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000762454774 656042678 /nfs/dbraw/zinc/04/26/78/656042678.db2.gz RTWYFDNOBWCING-HSZRJFAPSA-N -2 0 387.866 2.718 20 0 GFADRL Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc2c1COC2=O ZINC000762616799 656051531 /nfs/dbraw/zinc/05/15/31/656051531.db2.gz ICNGRAFUSBZRLK-UHFFFAOYSA-N -2 0 381.793 2.818 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2ccc(Br)nc2)cc(C(=O)[O-])c1C ZINC000765142247 656133399 /nfs/dbraw/zinc/13/33/99/656133399.db2.gz IBKLQALMGBHBCR-UHFFFAOYSA-N -2 0 385.239 2.960 20 0 GFADRL CCCn1cc([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)cn1 ZINC000769634823 656283686 /nfs/dbraw/zinc/28/36/86/656283686.db2.gz WKRLWJBPIHKQDP-UHFFFAOYSA-N -2 0 394.272 2.616 20 0 GFADRL CC(C)(C)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccsc1C(N)=O ZINC000773253181 656406341 /nfs/dbraw/zinc/40/63/41/656406341.db2.gz UOOYNPNJLBBELW-UHFFFAOYSA-N -2 0 388.492 2.705 20 0 GFADRL CC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)[O-] ZINC000776613571 656766915 /nfs/dbraw/zinc/76/69/15/656766915.db2.gz FVLYOBUAADSKJH-NTSWFWBYSA-N -2 0 375.315 2.550 20 0 GFADRL CNS(=O)(=O)c1cc(NC(=O)c2c([O-])cc(Cl)cc2Cl)ccc1[O-] ZINC000788166723 657664882 /nfs/dbraw/zinc/66/48/82/657664882.db2.gz LKXHCHUFUKQDKK-UHFFFAOYSA-N -2 0 391.232 2.565 20 0 GFADRL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000793366525 658391290 /nfs/dbraw/zinc/39/12/90/658391290.db2.gz AXVLLVIAJHDOJV-UHFFFAOYSA-N -2 0 387.772 2.985 20 0 GFADRL CC(C)Cc1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cn1 ZINC000794593798 658573362 /nfs/dbraw/zinc/57/33/62/658573362.db2.gz KRBCHNIHQWJNEG-UHFFFAOYSA-N -2 0 387.820 2.967 20 0 GFADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000799744514 659221012 /nfs/dbraw/zinc/22/10/12/659221012.db2.gz DSXVNSGRENNUTO-LHLIQPBNSA-N -2 0 394.198 2.859 20 0 GFADRL C[C@@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1oc2ccccc2c1Br ZINC000864431169 662370492 /nfs/dbraw/zinc/37/04/92/662370492.db2.gz NBUWXHVMAXPVDR-VIFPVBQESA-N -2 0 390.255 2.975 20 0 GFADRL O=C([O-])[C@H](NC(=O)c1cc(Br)c([O-])c(Br)c1)C1CC1 ZINC000909041230 664142389 /nfs/dbraw/zinc/14/23/89/664142389.db2.gz YDKYUUAJRNOGFP-SECBINFHSA-N -2 0 393.031 2.510 20 0 GFADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)c2ccc(C3SCCS3)cc2)C1 ZINC000910186222 664198232 /nfs/dbraw/zinc/19/82/32/664198232.db2.gz ONOAFYMEZQLPRO-CHWSQXEVSA-N -2 0 381.475 2.555 20 0 GFADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)/C=C\c2csc(C(F)(F)F)c2)C1 ZINC000910183706 664198307 /nfs/dbraw/zinc/19/83/07/664198307.db2.gz NUZAIKQVAMOLKJ-YHXFBWIHSA-N -2 0 377.340 2.557 20 0 GFADRL O=C([O-])c1c(F)cc([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1F ZINC000393105477 677410301 /nfs/dbraw/zinc/41/03/01/677410301.db2.gz FLNQBUQGQWSLDR-UHFFFAOYSA-N -2 0 376.268 2.511 20 0 GFADRL COc1ccc(Br)cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000055688662 551175011 /nfs/dbraw/zinc/17/50/11/551175011.db2.gz ADYJZYSDWGBIEP-UHFFFAOYSA-N -2 0 386.223 2.957 20 0 GFADRL CC(C)[C@H](NC(=O)c1cc(Br)c([O-])c(Br)c1)C(=O)[O-] ZINC000263577789 553189636 /nfs/dbraw/zinc/18/96/36/553189636.db2.gz RWCLVRLQFBLIHU-VIFPVBQESA-N -2 0 395.047 2.756 20 0 GFADRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)C[C@@H](CC(C)C)OC ZINC000421161151 563299204 /nfs/dbraw/zinc/29/92/04/563299204.db2.gz ZTSWKBZSKYKJJN-SNVBAGLBSA-N -2 0 379.862 2.850 20 0 GFADRL COc1cc(OC)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cc1Cl ZINC000327917457 563460264 /nfs/dbraw/zinc/46/02/64/563460264.db2.gz LIXPYFMXTPTZOO-UHFFFAOYSA-N -2 0 389.788 2.995 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)c(Br)c1 ZINC000386974096 563519415 /nfs/dbraw/zinc/51/94/15/563519415.db2.gz ZBGWHTCLZJHPBP-UHFFFAOYSA-N -2 0 386.223 2.962 20 0 GFADRL CCn1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)c1C(F)(F)F ZINC000410407830 563589699 /nfs/dbraw/zinc/58/96/99/563589699.db2.gz ZFOBKUCZYTZTFL-UHFFFAOYSA-N -2 0 381.307 2.560 20 0 GFADRL COc1cccc(C)c1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000435723618 563657133 /nfs/dbraw/zinc/65/71/33/563657133.db2.gz TZVQWAQGKVMCTH-UHFFFAOYSA-N -2 0 385.825 2.921 20 0 GFADRL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2cc(Br)ccc2O)c1 ZINC000443383377 563804057 /nfs/dbraw/zinc/80/40/57/563804057.db2.gz JRGRCYMSAIGUTL-UHFFFAOYSA-N -2 0 390.186 2.793 20 0 GFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)cc1OC ZINC000447775680 563885761 /nfs/dbraw/zinc/88/57/61/563885761.db2.gz FNGOWWNAMUEEJH-UHFFFAOYSA-N -2 0 387.797 2.562 20 0 GFADRL C[C@@H](Sc1ccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)cc1)C(=O)[O-] ZINC000507567155 564232690 /nfs/dbraw/zinc/23/26/90/564232690.db2.gz PCZGRQZGRNCIQS-SNVBAGLBSA-N -2 0 381.431 2.751 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2SCCC(=O)[O-])cn1 ZINC000507955570 564248776 /nfs/dbraw/zinc/24/87/76/564248776.db2.gz ZRPBOMWSIUUEDC-UHFFFAOYSA-N -2 0 382.463 2.766 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2csc(-c3ccccn3)n2)cc1F ZINC000542724364 564323141 /nfs/dbraw/zinc/32/31/41/564323141.db2.gz QKVYYLRCODURNZ-UHFFFAOYSA-N -2 0 379.394 2.843 20 0 GFADRL CCn1cc(S(=O)(=O)[N-]c2csc(-c3ccccn3)n2)cc1C(=O)[O-] ZINC000543650790 564357349 /nfs/dbraw/zinc/35/73/49/564357349.db2.gz NGQPYJZQGFBKRA-UHFFFAOYSA-N -2 0 378.435 2.526 20 0 GFADRL COc1cc(S(=O)(=O)[N-]c2cccc3c2CCO3)c(Cl)cc1C(=O)[O-] ZINC000478672506 564411787 /nfs/dbraw/zinc/41/17/87/564411787.db2.gz GGLYEJJAPXPDDJ-UHFFFAOYSA-N -2 0 383.809 2.783 20 0 GFADRL COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(CC(=O)[O-])cc1 ZINC000545828159 564433571 /nfs/dbraw/zinc/43/35/71/564433571.db2.gz WARSVRAAQSLSGW-UHFFFAOYSA-N -2 0 383.809 2.555 20 0 GFADRL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)N(C)c1ccccc1C(=O)[O-] ZINC000480220977 564465144 /nfs/dbraw/zinc/46/51/44/564465144.db2.gz FZFJFHLWZYXNBJ-UHFFFAOYSA-N -2 0 383.809 2.870 20 0 GFADRL Cc1sc(S(=O)(=O)[N-]c2ccc(N(C)C)cc2C(=O)[O-])cc1[N+](=O)[O-] ZINC000547547804 564493175 /nfs/dbraw/zinc/49/31/75/564493175.db2.gz WOLYOPKSZKMLNZ-UHFFFAOYSA-N -2 0 385.423 2.530 20 0 GFADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC(F)(F)F ZINC000547590410 564499323 /nfs/dbraw/zinc/49/93/23/564499323.db2.gz UNEUDQCJTDMYQC-YFKPBYRVSA-N -2 0 381.250 2.976 20 0 GFADRL O=C([O-])CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000570400674 564504837 /nfs/dbraw/zinc/50/48/37/564504837.db2.gz CKWLYYWUSMGLTJ-KCJUWKMLSA-N -2 0 383.363 2.945 20 0 GFADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-]c1ccc(Br)c(C(=O)[O-])c1 ZINC000548262150 564544756 /nfs/dbraw/zinc/54/47/56/564544756.db2.gz ZXFLKUMYGACWPZ-RXMQYKEDSA-N -2 0 376.150 2.840 20 0 GFADRL COC(=O)c1sccc1S(=O)(=O)[N-]c1c(C)ccc(Cl)c1C(=O)[O-] ZINC000484802933 564599558 /nfs/dbraw/zinc/59/95/58/564599558.db2.gz DIYIQJUSJHMUBP-UHFFFAOYSA-N -2 0 389.838 2.996 20 0 GFADRL CC(=O)Nc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000485275745 564611407 /nfs/dbraw/zinc/61/14/07/564611407.db2.gz SQPHAIWJERHKRG-UHFFFAOYSA-N -2 0 386.788 2.937 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(O)c2)c(OC(F)(F)F)c1 ZINC000486101729 564639868 /nfs/dbraw/zinc/63/98/68/564639868.db2.gz PBKGMTOEDYPQRW-UHFFFAOYSA-N -2 0 377.296 2.790 20 0 GFADRL CSc1cccc(N(C)S(=O)(=O)c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC000522396746 564651146 /nfs/dbraw/zinc/65/11/46/564651146.db2.gz RLEPDRHTUDGUSH-UHFFFAOYSA-N -2 0 381.431 2.630 20 0 GFADRL CC(C)[C@@H](NS(=O)(=O)c1csnc1C(=O)[O-])c1ccc(F)cc1F ZINC000579469260 564747943 /nfs/dbraw/zinc/74/79/43/564747943.db2.gz XBOMGOGSAOHENN-GFCCVEGCSA-N -2 0 376.406 2.795 20 0 GFADRL CC(C)[C@H](NS(=O)(=O)c1csnc1C(=O)[O-])c1ccc(F)cc1F ZINC000579469263 564748228 /nfs/dbraw/zinc/74/82/28/564748228.db2.gz XBOMGOGSAOHENN-LBPRGKRZSA-N -2 0 376.406 2.795 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CC3)c(Cl)c1 ZINC000489748701 564751834 /nfs/dbraw/zinc/75/18/34/564751834.db2.gz TYKPRTXSVWVWJD-UHFFFAOYSA-N -2 0 380.809 2.724 20 0 GFADRL O=C([O-])[C@@H](Cc1ccco1)NS(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000580824610 564775514 /nfs/dbraw/zinc/77/55/14/564775514.db2.gz DDXNEVMFJUMQNY-LLVKDONJSA-N -2 0 397.758 2.926 20 0 GFADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2c(F)cccc2Cl)c1OC ZINC000463787137 564889737 /nfs/dbraw/zinc/88/97/37/564889737.db2.gz ARIFCXCYPOFNEQ-UHFFFAOYSA-N -2 0 389.788 2.995 20 0 GFADRL CNC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000466354073 564938445 /nfs/dbraw/zinc/93/84/45/564938445.db2.gz ANIKZNIVSAHMDG-UHFFFAOYSA-N -2 0 382.825 2.507 20 0 GFADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2ccc(Cl)s2)c1OC ZINC000467299906 564960147 /nfs/dbraw/zinc/96/01/47/564960147.db2.gz NYJNVEQUCXYWDV-UHFFFAOYSA-N -2 0 377.827 2.918 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2cc(F)c(C(=O)[O-])cc2OC)cc1Cl ZINC000534401956 564987707 /nfs/dbraw/zinc/98/77/07/564987707.db2.gz BTSAUJBXJALMHR-UHFFFAOYSA-N -2 0 389.788 2.995 20 0 GFADRL Cc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3csc(C(=O)[O-])c3)c2)n1 ZINC000614857105 565136900 /nfs/dbraw/zinc/13/69/00/565136900.db2.gz RPYOKJXABRBPMC-UHFFFAOYSA-N -2 0 379.419 2.914 20 0 GFADRL CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)c1 ZINC000591681734 565236408 /nfs/dbraw/zinc/23/64/08/565236408.db2.gz IRMNKDXKVVFGKM-UHFFFAOYSA-N -2 0 383.451 2.697 20 0 GFADRL COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1SC ZINC000619568415 565349333 /nfs/dbraw/zinc/34/93/33/565349333.db2.gz SXWWMTAHAWUXCE-UHFFFAOYSA-N -2 0 387.460 2.756 20 0 GFADRL O=C([O-])CC[C@@H](C[N-]S(=O)(=O)c1cc2cc(F)ccc2o1)C(F)(F)F ZINC000663293970 565408284 /nfs/dbraw/zinc/40/82/84/565408284.db2.gz NQCCLUYKONWPTL-VIFPVBQESA-N -2 0 383.319 2.894 20 0 GFADRL O=C([O-])[C@@H]1CC[C@H](NC(=O)N=c2nc(SCc3ccccc3)[n-]s2)C1 ZINC000647697449 565672250 /nfs/dbraw/zinc/67/22/50/565672250.db2.gz KMQFOUYNRILHJY-NEPJUHHUSA-N -2 0 378.479 2.627 20 0 GFADRL C[C@@H]([N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653493001 565968807 /nfs/dbraw/zinc/96/88/07/565968807.db2.gz GSRJTKADOCSYBA-GJMOJQLCSA-N -2 0 383.363 2.657 20 0 GFADRL Cc1cc(C)c(S(=O)(=O)Nc2cccc(CC(=O)[O-])c2)c(C)c1CC(=O)[O-] ZINC000272771756 597716894 /nfs/dbraw/zinc/71/68/94/597716894.db2.gz UQYWRRUXGDWNTP-UHFFFAOYSA-N -2 0 391.445 2.667 20 0 GFADRL CCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1Cl ZINC000737028825 599738486 /nfs/dbraw/zinc/73/84/86/599738486.db2.gz PSSSCHDGGFJCHB-UHFFFAOYSA-N -2 0 386.813 2.572 20 0 GFADRL COc1cc(C=Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)ccc1OCC(=O)[O-] ZINC000737877749 599802000 /nfs/dbraw/zinc/80/20/00/599802000.db2.gz ICLRXHWCJRVDNE-CLTKARDFSA-N -2 0 396.355 2.676 20 0 GFADRL COc1cc(F)c(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)cc1OC ZINC000737889635 599855150 /nfs/dbraw/zinc/85/51/50/599855150.db2.gz NDZDNAXBTCGOPP-UHFFFAOYSA-N -2 0 383.397 2.661 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(-c3cn4c(n3)CCCC4)c2)o1 ZINC000740187725 599886325 /nfs/dbraw/zinc/88/63/25/599886325.db2.gz RCLOJWUGQKTPRZ-UHFFFAOYSA-N -2 0 387.417 2.978 20 0 GFADRL CN(CCCC(=O)[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1)C(=O)[O-] ZINC000737426601 599911914 /nfs/dbraw/zinc/91/19/14/599911914.db2.gz GIGYQWGYZPASLN-UHFFFAOYSA-N -2 0 382.482 2.929 20 0 GFADRL CC(C)C[C@H](C)n1nccc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000736404291 600054793 /nfs/dbraw/zinc/05/47/93/600054793.db2.gz ZCDJLMBIHUSSPD-ZDUSSCGKSA-N -2 0 381.454 2.754 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])n(Cc2ccccc2)n1 ZINC000738463669 600055050 /nfs/dbraw/zinc/05/50/50/600055050.db2.gz OVMYCOGHRVXAOX-UHFFFAOYSA-N -2 0 389.408 2.878 20 0 GFADRL O=C([O-])c1cccc(C(=O)[N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c1 ZINC000740217259 600122825 /nfs/dbraw/zinc/12/28/25/600122825.db2.gz VSCMHTCQGIHACV-UHFFFAOYSA-N -2 0 391.298 2.661 20 0 GFADRL COC(=O)N(C)Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1 ZINC000737630387 600300497 /nfs/dbraw/zinc/30/04/97/600300497.db2.gz BNUSMJFFKQNGOW-UHFFFAOYSA-N -2 0 396.396 2.523 20 0 GFADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000738546311 600301300 /nfs/dbraw/zinc/30/13/00/600301300.db2.gz SGKWGHCWFXNERH-UHFFFAOYSA-N -2 0 378.406 2.604 20 0 GFADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)CCc1cc(Cl)cs1 ZINC000739251624 600352651 /nfs/dbraw/zinc/35/26/51/600352651.db2.gz IBENILCSTLGKJI-UHFFFAOYSA-N -2 0 379.868 2.599 20 0 GFADRL CC[C@H](Sc1ccccc1)C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000736927894 600421445 /nfs/dbraw/zinc/42/14/45/600421445.db2.gz GOLLBXUAKQWHEZ-HNNXBMFYSA-N -2 0 379.459 2.761 20 0 GFADRL CC(C)c1ccc(C2(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])CCCC2)cc1 ZINC000736513051 600465632 /nfs/dbraw/zinc/46/56/32/600465632.db2.gz OWAAANPHUYHYSU-UHFFFAOYSA-N -2 0 381.494 2.933 20 0 GFADRL CC1=C(C(=O)[O-])[C@@H](c2cnn(C(C)C)c2)NC(=O)N1Cc1ccc(C(=O)[O-])cc1 ZINC000736749864 600487722 /nfs/dbraw/zinc/48/77/22/600487722.db2.gz FZTSJEVMDHOLGH-QGZVFWFLSA-N -2 0 398.419 2.787 20 0 GFADRL COC(=O)c1csc(S(=O)(=O)[N-]c2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC000737714452 600637928 /nfs/dbraw/zinc/63/79/28/600637928.db2.gz PIGKRAUTUIQFKZ-UHFFFAOYSA-N -2 0 375.811 2.687 20 0 GFADRL COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cc1C(=O)[O-] ZINC000738063978 600637994 /nfs/dbraw/zinc/63/79/94/600637994.db2.gz NWHFGWMAZHRJCC-UHFFFAOYSA-N -2 0 385.781 2.546 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2nc3c(s2)CCCCC3)cc1C(=O)[O-] ZINC000738069915 600659519 /nfs/dbraw/zinc/65/95/19/600659519.db2.gz PTSYLLZDCDNKPV-UHFFFAOYSA-N -2 0 382.463 2.920 20 0 GFADRL COc1cc(C(=O)[O-])cc(NC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)c1OC ZINC000831892632 600669618 /nfs/dbraw/zinc/66/96/18/600669618.db2.gz VBBPPBLRFXJXID-FQEVSTJZSA-N -2 0 387.388 2.773 20 0 GFADRL Cc1cccc(Oc2ccccc2[N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c1 ZINC000832974799 600671760 /nfs/dbraw/zinc/67/17/60/600671760.db2.gz MVJGPXKRSZEBIH-UHFFFAOYSA-N -2 0 387.417 2.869 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(NC(=O)c3cccs3)c2)c[nH]1 ZINC000509645874 600673503 /nfs/dbraw/zinc/67/35/03/600673503.db2.gz FALIPWARSMFIFR-UHFFFAOYSA-N -2 0 391.430 2.828 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3[nH]c([C@@H]4CCCO4)nc3c2)cs1 ZINC000299292013 600676943 /nfs/dbraw/zinc/67/69/43/600676943.db2.gz KASWBWPAFHIGHQ-ZDUSSCGKSA-N -2 0 393.446 2.975 20 0 GFADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)c(Cl)c2)cn1 ZINC000833274579 600678312 /nfs/dbraw/zinc/67/83/12/600678312.db2.gz FGUZXJYBZKGYAJ-UHFFFAOYSA-N -2 0 399.856 2.743 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)ccc1C(=O)NC(C)C ZINC000264629715 600682264 /nfs/dbraw/zinc/68/22/64/600682264.db2.gz LLBIVDUYAMGLBB-UHFFFAOYSA-N -2 0 382.463 2.694 20 0 GFADRL Cc1ccc(N2CCOC2=O)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000743268457 600691395 /nfs/dbraw/zinc/69/13/95/600691395.db2.gz SIXQRCCXYUHUIY-UHFFFAOYSA-N -2 0 382.419 2.512 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c(OC)c1OC ZINC000589939836 600814887 /nfs/dbraw/zinc/81/48/87/600814887.db2.gz XXILFLFENVQVCI-UHFFFAOYSA-N -2 0 381.406 2.520 20 0 GFADRL Cc1ccc(Cn2nccc2[N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)o1 ZINC000832935928 600829940 /nfs/dbraw/zinc/82/99/40/600829940.db2.gz PQTFMQBVKAVYLR-UHFFFAOYSA-N -2 0 375.406 2.640 20 0 GFADRL CCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc(OC)c2OC)cc1C ZINC000530952478 600897589 /nfs/dbraw/zinc/89/75/89/600897589.db2.gz WQTUIUWDBPCRNA-UHFFFAOYSA-N -2 0 395.433 2.910 20 0 GFADRL COc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc(OC)c2OC)cc1C ZINC000484971531 600897645 /nfs/dbraw/zinc/89/76/45/600897645.db2.gz ARSMFNLQIBOOQE-UHFFFAOYSA-N -2 0 395.433 2.828 20 0 GFADRL CCCOc1ccc(CCC(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC000829532335 600941157 /nfs/dbraw/zinc/94/11/57/600941157.db2.gz DKVWGRQJCRSJCV-UHFFFAOYSA-N -2 0 397.474 2.673 20 0 GFADRL CC(C)=CCOc1cccc(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)c1 ZINC000826647406 600941168 /nfs/dbraw/zinc/94/11/68/600941168.db2.gz FZASMOAVKJAFAS-UHFFFAOYSA-N -2 0 395.458 2.910 20 0 GFADRL C[C@H](C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)c1cccc(Cl)c1 ZINC000826009028 600943586 /nfs/dbraw/zinc/94/35/86/600943586.db2.gz PDKLUCLCACDGEP-NSHDSACASA-N -2 0 381.837 2.788 20 0 GFADRL C[C@@H](c1cccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1)N1CCOCC1 ZINC000827942954 600979099 /nfs/dbraw/zinc/97/90/99/600979099.db2.gz VPFLVXYHHLFKBF-LBPRGKRZSA-N -2 0 396.490 2.640 20 0 GFADRL O=C([O-])c1ccnc([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)c1 ZINC000391607790 600982528 /nfs/dbraw/zinc/98/25/28/600982528.db2.gz SXVORJLBGIJLHD-UHFFFAOYSA-N -2 0 378.740 2.835 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cnc(-c2ccccc2)nc1 ZINC000831950146 601150381 /nfs/dbraw/zinc/15/03/81/601150381.db2.gz MEQIMTOJDKLYIG-UHFFFAOYSA-N -2 0 391.430 2.713 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2ccccc2-c2n[nH]c(C3CC3)n2)cc1C(=O)[O-] ZINC000833030092 601232157 /nfs/dbraw/zinc/23/21/57/601232157.db2.gz RLCHZYXOLACHAY-UHFFFAOYSA-N -2 0 388.405 2.750 20 0 GFADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2C[C@@H](C(=O)[O-])Oc3ccccc32)n1 ZINC000832890108 601273164 /nfs/dbraw/zinc/27/31/64/601273164.db2.gz OUFYSIGYPDOEGL-KRWDZBQOSA-N -2 0 397.362 2.518 20 0 GFADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])s1 ZINC000832774662 601320856 /nfs/dbraw/zinc/32/08/56/601320856.db2.gz WCPCTBZFWYCRRO-UHFFFAOYSA-N -3 0 387.460 2.596 20 0 GFADRL COC(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000603978697 601323556 /nfs/dbraw/zinc/32/35/56/601323556.db2.gz HYZJMMQFLZJUON-UHFFFAOYSA-N -2 0 381.381 2.728 20 0 GFADRL CNC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000614862424 601326210 /nfs/dbraw/zinc/32/62/10/601326210.db2.gz MKCBCGQYLWYYDF-UHFFFAOYSA-N -2 0 396.852 2.815 20 0 GFADRL Cc1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c(-c2nc(C3CC3)no2)c1 ZINC000476391862 601335103 /nfs/dbraw/zinc/33/51/03/601335103.db2.gz LZJKMZWGRVGJIL-UHFFFAOYSA-N -2 0 388.405 2.750 20 0 GFADRL Cc1ccc(Cn2nccc2[N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)o1 ZINC000832935233 601360319 /nfs/dbraw/zinc/36/03/19/601360319.db2.gz CZGDHRLUPQAVRF-UITAMQMPSA-N -2 0 387.417 2.731 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N2CCCCC2)cn1 ZINC000832204193 601361596 /nfs/dbraw/zinc/36/15/96/601361596.db2.gz KQJSVFKLFZBQRO-UHFFFAOYSA-N -2 0 391.449 2.580 20 0 GFADRL O=C([O-])CC1(NC(=O)c2cccc([N-]S(=O)(=O)c3cccs3)c2)CCC1 ZINC000262513565 601434922 /nfs/dbraw/zinc/43/49/22/601434922.db2.gz PKMLHSKYKZMFGM-UHFFFAOYSA-N -2 0 394.474 2.676 20 0 GFADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ncn(Cc3ccc(Cl)cc3)n2)c1 ZINC000833344216 601473569 /nfs/dbraw/zinc/47/35/69/601473569.db2.gz GXMLGNZWEAGPCO-UHFFFAOYSA-N -2 0 398.853 2.540 20 0 GFADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1cccc(Oc2ccncc2)c1 ZINC000833346940 601484566 /nfs/dbraw/zinc/48/45/66/601484566.db2.gz XIRZXBDBWVWKGX-UHFFFAOYSA-N -2 0 377.403 2.829 20 0 GFADRL Cc1cc(Cl)cc([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])c1O ZINC000832886916 601484868 /nfs/dbraw/zinc/48/48/68/601484868.db2.gz XXKFZAPOZCXJKY-UHFFFAOYSA-N -2 0 377.205 2.901 20 0 GFADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000833300861 601486519 /nfs/dbraw/zinc/48/65/19/601486519.db2.gz PATKXDSONSMERE-UHFFFAOYSA-N -3 0 397.217 2.647 20 0 GFADRL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000507924006 601488339 /nfs/dbraw/zinc/48/83/39/601488339.db2.gz ZRXKDMROPARWHL-UHFFFAOYSA-N -3 0 393.417 2.520 20 0 GFADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cnn(-c2ccccc2F)c1 ZINC000466288471 601491918 /nfs/dbraw/zinc/49/19/18/601491918.db2.gz KXZNQQWTDGSEJA-UHFFFAOYSA-N -2 0 375.381 2.819 20 0 GFADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000443365679 601575613 /nfs/dbraw/zinc/57/56/13/601575613.db2.gz KTQNCJFTEBIAJF-UHFFFAOYSA-N -3 0 393.417 2.602 20 0 GFADRL CS(=O)(=O)[N-]c1cc2ccccc2cc1C(=O)NCC1(C(=O)[O-])CCCC1 ZINC000832699567 601598135 /nfs/dbraw/zinc/59/81/35/601598135.db2.gz KURPLUSYPYQDBB-UHFFFAOYSA-N -2 0 390.461 2.586 20 0 GFADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1cnccc1Oc1ccccc1 ZINC000833346840 601768545 /nfs/dbraw/zinc/76/85/45/601768545.db2.gz WAOJXBVDIDMQKV-UHFFFAOYSA-N -2 0 377.403 2.829 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)c2)c(Cl)c1Cl ZINC000832468457 601784814 /nfs/dbraw/zinc/78/48/14/601784814.db2.gz CSPQZDDRJODOFA-UHFFFAOYSA-N -2 0 379.221 2.840 20 0 GFADRL CN(C)C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000032090592 601827253 /nfs/dbraw/zinc/82/72/53/601827253.db2.gz XXGAFUSDVMPHGT-UHFFFAOYSA-N -2 0 382.825 2.541 20 0 GFADRL Cc1nc(-c2ccccc2[N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)no1 ZINC000370269552 601835561 /nfs/dbraw/zinc/83/55/61/601835561.db2.gz SUDYMRODQVHNFV-UHFFFAOYSA-N -2 0 395.343 2.822 20 0 GFADRL CC(C)COC(=O)Nc1cccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])c1 ZINC000826891439 601837541 /nfs/dbraw/zinc/83/75/41/601837541.db2.gz QGKTWKONAUTVCP-UHFFFAOYSA-N -2 0 399.450 2.847 20 0 GFADRL Cn1ccnc1Sc1ccccc1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000833059121 601840068 /nfs/dbraw/zinc/84/00/68/601840068.db2.gz WEHSWJKLISDMHZ-UHFFFAOYSA-N -2 0 396.475 2.527 20 0 GFADRL O=C([O-])c1c[nH]c2cc(NS(=O)(=O)c3cc(F)c(F)c(C(=O)[O-])c3)ccc12 ZINC000751141510 601840866 /nfs/dbraw/zinc/84/08/66/601840866.db2.gz DPDZMWMHTRENEG-UHFFFAOYSA-N -2 0 396.327 2.643 20 0 GFADRL C[C@H](c1ccccc1)n1ccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)n1 ZINC000675284429 601854870 /nfs/dbraw/zinc/85/48/70/601854870.db2.gz BGTMNLHDIKQJLA-CQSZACIVSA-N -2 0 385.445 2.920 20 0 GFADRL CC(C)n1ncc2cc([N-]S(=O)(=O)c3cccc(F)c3C(=O)[O-])cnc21 ZINC000827201299 601857291 /nfs/dbraw/zinc/85/72/91/601857291.db2.gz QQMBXZZPBYAJFG-UHFFFAOYSA-N -2 0 378.385 2.650 20 0 GFADRL Cn1nc(C2CCCCC2)cc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000833059852 601964463 /nfs/dbraw/zinc/96/44/63/601964463.db2.gz AUZAXZCHBHBACB-UHFFFAOYSA-N -2 0 377.466 2.896 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)C2(Cc3ccccc3)CCC2)s1 ZINC000833324741 601981081 /nfs/dbraw/zinc/98/10/81/601981081.db2.gz LYOBHAKELURKDR-UHFFFAOYSA-N -2 0 379.459 2.664 20 0 GFADRL O=C([O-])c1csc([N-]S(=O)(=O)c2cc3c(cc2Cl)OCCO3)c1 ZINC000833343682 602118365 /nfs/dbraw/zinc/11/83/65/602118365.db2.gz MDIBTOWFHOZULL-UHFFFAOYSA-N -2 0 375.811 2.672 20 0 GFADRL C[C@H](Oc1ccc(/C=C\c2nc3ccccc3c(=O)n2CC(=O)[O-])cc1)C(=O)[O-] ZINC000827884311 602149268 /nfs/dbraw/zinc/14/92/68/602149268.db2.gz BMYDADDDWWUJBY-ZWXCPPHNSA-N -2 0 394.383 2.503 20 0 GFADRL Cc1noc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Br)c1C ZINC000115917026 602209700 /nfs/dbraw/zinc/20/97/00/602209700.db2.gz PWRADVNCCRETIS-UHFFFAOYSA-N -2 0 375.200 2.553 20 0 GFADRL C[C@@H](NC(=O)c1nn(-c2c(Cl)cc(Cl)cc2Cl)cc1[O-])C(=O)[O-] ZINC000832825143 602273477 /nfs/dbraw/zinc/27/34/77/602273477.db2.gz MKMRHNKPOPWAMU-RXMQYKEDSA-N -2 0 378.599 2.741 20 0 GFADRL C[C@H]1CCc2ccccc2N1S(=O)(=O)[N-]C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000736804424 602671746 /nfs/dbraw/zinc/67/17/46/602671746.db2.gz CHLCLTIIYXQNPP-LBPRGKRZSA-N -2 0 389.433 2.592 20 0 GFADRL CC(C)C[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000736416713 602686506 /nfs/dbraw/zinc/68/65/06/602686506.db2.gz QAJOQVFECQRDST-KRWDZBQOSA-N -2 0 390.461 2.841 20 0 GFADRL C[C@H](C(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823711914 602805771 /nfs/dbraw/zinc/80/57/71/602805771.db2.gz GGCXLWFAARAIQI-XHDPSFHLSA-N -2 0 382.376 2.613 20 0 GFADRL CS(=O)(=O)[N-]c1cc2ccccc2cc1C(=O)OC[C@@H]1CCCN1C(=O)[O-] ZINC000740001712 602915397 /nfs/dbraw/zinc/91/53/97/602915397.db2.gz MMVWWDKJZMNUNN-AWEZNQCLSA-N -2 0 392.433 2.511 20 0 GFADRL CC(C)(CC(=O)[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1)NC(=O)[O-] ZINC000738735406 603161699 /nfs/dbraw/zinc/16/16/99/603161699.db2.gz RAPLJCJDPKAXES-UHFFFAOYSA-N -2 0 376.434 2.595 20 0 GFADRL O=C([O-])NCCOc1cccc([N-]S(=O)(=O)c2c(F)cc(F)cc2F)c1 ZINC000832671482 603399535 /nfs/dbraw/zinc/39/95/35/603399535.db2.gz BNVKIGJPNHLNJX-UHFFFAOYSA-N -2 0 390.339 2.551 20 0 GFADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CCC([C@@H](C)NC(=O)[O-])CC2)n1 ZINC000830068976 603537447 /nfs/dbraw/zinc/53/74/47/603537447.db2.gz RNBBNEJWCSSDOX-GFCCVEGCSA-N -2 0 390.415 2.534 20 0 GFADRL CN(C[C@@H]1CCCN(C(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])C1)C(=O)[O-] ZINC000828181677 603748992 /nfs/dbraw/zinc/74/89/92/603748992.db2.gz VOKYGRLQGOWDTR-LBPRGKRZSA-N -2 0 392.843 2.693 20 0 GFADRL COc1ccc(NC(=O)[O-])c([N-]S(=O)(=O)c2ccc3c(c2)N(C)CC3)c1 ZINC000829474627 603878026 /nfs/dbraw/zinc/87/80/26/603878026.db2.gz LFJNEYHLWWTCSA-UHFFFAOYSA-N -2 0 377.422 2.578 20 0 GFADRL O=C([O-])Nc1ccc(C(=O)N2CCC(OC[C@H]3CCCCO3)CC2)c(O)c1 ZINC000832829184 604068843 /nfs/dbraw/zinc/06/88/43/604068843.db2.gz OXCCJXSPFGRHNN-OAHLLOKOSA-N -2 0 378.425 2.672 20 0 GFADRL O=C([O-])NC1(CC(=O)[N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)CCC1 ZINC000832210944 604257239 /nfs/dbraw/zinc/25/72/39/604257239.db2.gz FZUGIHVADPSKCA-UHFFFAOYSA-N -2 0 388.445 2.739 20 0 GFADRL CC(C)(C)O[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)c1ccccc1 ZINC000833445577 604495133 /nfs/dbraw/zinc/49/51/33/604495133.db2.gz CMROKSYFOHRJKD-CQSZACIVSA-N -2 0 397.474 2.808 20 0 GFADRL CC(C)(C)O[C@H](C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000833445516 604495589 /nfs/dbraw/zinc/49/55/89/604495589.db2.gz ABVKXQHQERAXTI-INIZCTEOSA-N -2 0 391.445 2.746 20 0 GFADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1F ZINC000833149034 604879693 /nfs/dbraw/zinc/87/96/93/604879693.db2.gz XEWKRYGUWZZFAI-UHFFFAOYSA-N -2 0 377.393 2.521 20 0 GFADRL O=C([O-])CCOc1ccc(S(=O)(=O)[N-]c2n[nH]c3c2cccc3Cl)cc1 ZINC000833239354 605013598 /nfs/dbraw/zinc/01/35/98/605013598.db2.gz GZEOYKFJPVLFMS-UHFFFAOYSA-N -2 0 395.824 2.871 20 0 GFADRL CC(C)C[C@@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000833478109 605121918 /nfs/dbraw/zinc/12/19/18/605121918.db2.gz BNXKREDHHSNLQK-SNVBAGLBSA-N -2 0 376.500 2.533 20 0 GFADRL CC(C)(C)Cc1csc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)n1 ZINC000833431110 605139155 /nfs/dbraw/zinc/13/91/55/605139155.db2.gz HQZNUZZKICJRPI-UHFFFAOYSA-N -2 0 384.479 2.996 20 0 GFADRL CC(C)Cn1ncc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)c1C(C)C ZINC000499262087 605150541 /nfs/dbraw/zinc/15/05/41/605150541.db2.gz GIXWBZFYWQAEPA-UHFFFAOYSA-N -2 0 395.481 2.927 20 0 GFADRL COc1ccc(O)c(S(=O)(=O)[N-]c2cccc(SCCC(=O)[O-])c2)c1 ZINC000833733246 605240690 /nfs/dbraw/zinc/24/06/90/605240690.db2.gz DYBWEUPHQWVFCL-UHFFFAOYSA-N -2 0 383.447 2.768 20 0 GFADRL COC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])c(F)c2)c1 ZINC000833715584 605264648 /nfs/dbraw/zinc/26/46/48/605264648.db2.gz FETUXRYEBIYKFR-UHFFFAOYSA-N -2 0 386.332 2.642 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccn2)cc1C(=O)[O-] ZINC000833734719 605586338 /nfs/dbraw/zinc/58/63/38/605586338.db2.gz UYWIQRCBXIRPFL-UHFFFAOYSA-N -2 0 376.312 2.608 20 0 GFADRL O=C([O-])NCCCCC(=O)[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000834234482 605909821 /nfs/dbraw/zinc/90/98/21/605909821.db2.gz RPPNMLRYMGMVPL-UHFFFAOYSA-N -2 0 382.482 2.977 20 0 GFADRL O=C([O-])N[C@H](CCC(=O)N[C@]1(C(=O)[O-])CCc2ccccc21)c1ccccc1 ZINC000834137730 606050012 /nfs/dbraw/zinc/05/00/12/606050012.db2.gz OKMUONALOLVBCO-DYESRHJHSA-N -2 0 382.416 2.818 20 0 GFADRL O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000834174639 606062683 /nfs/dbraw/zinc/06/26/83/606062683.db2.gz XFABJRIKJQVDQI-OKZBNKHCSA-N -2 0 384.432 2.636 20 0 GFADRL O=C([O-])COc1ccc(NC(=O)c2ccc(CNC(=O)[O-])cc2)cc1Cl ZINC000834064736 606069691 /nfs/dbraw/zinc/06/96/91/606069691.db2.gz FOYBOLKKADSUJC-UHFFFAOYSA-N -2 0 378.768 2.823 20 0 GFADRL O=C([O-])N[C@H]1CCc2ncc([N-]S(=O)(=O)c3ccc(Cl)s3)cc2C1 ZINC000834194442 606080031 /nfs/dbraw/zinc/08/00/31/606080031.db2.gz RQEWLTOMAUWNHS-VIFPVBQESA-N -2 0 387.870 2.722 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2O)c(F)cc1Br ZINC000833306289 660806947 /nfs/dbraw/zinc/80/69/47/660806947.db2.gz NHGKCILRVPYFQA-UHFFFAOYSA-N -2 0 390.186 2.793 20 0 GFADRL COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)c1 ZINC000026539421 654557615 /nfs/dbraw/zinc/55/76/15/654557615.db2.gz PPSWMVFJXVOMBR-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)cc1C(N)=O ZINC000063182258 654850006 /nfs/dbraw/zinc/85/00/06/654850006.db2.gz MXRBJICGRWZWAV-UHFFFAOYSA-N -2 0 382.825 2.500 20 0 GFADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccc(Br)nc2)c1 ZINC000156365330 655092086 /nfs/dbraw/zinc/09/20/86/655092086.db2.gz YUJUALYIOVPBGE-UHFFFAOYSA-N -2 0 389.202 2.791 20 0 GFADRL O=C([O-])c1cc2ccccc2cc1NS(=O)(=O)CCOCC(F)(F)F ZINC000731902898 655589071 /nfs/dbraw/zinc/58/90/71/655589071.db2.gz PFYOAMPQZCFRDY-UHFFFAOYSA-N -2 0 377.340 2.859 20 0 GFADRL CC(=O)Nc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000745978152 655757132 /nfs/dbraw/zinc/75/71/32/655757132.db2.gz NSHFCHVOUZISAM-UHFFFAOYSA-N -2 0 386.788 2.937 20 0 GFADRL CC(C)(C)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)n[nH]1 ZINC000761906529 656024106 /nfs/dbraw/zinc/02/41/06/656024106.db2.gz CTLOWNFIWZODKY-UHFFFAOYSA-N -2 0 375.809 2.999 20 0 GFADRL Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1ccc(C(=O)CCC(=O)[O-])cc1 ZINC000765141208 656133411 /nfs/dbraw/zinc/13/34/11/656133411.db2.gz KDUZTVCUWZUVJM-UHFFFAOYSA-N -2 0 382.825 2.892 20 0 GFADRL O=C([O-])c1cc2c(cc1[N-]S(=O)(=O)c1c(Cl)ccnc1Cl)OCO2 ZINC000776442431 656742245 /nfs/dbraw/zinc/74/22/45/656742245.db2.gz GFBBIOFHKUHJMG-UHFFFAOYSA-N -2 0 391.188 2.616 20 0 GFADRL O=C([O-])[C@H]([N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)c1cccs1 ZINC000776450939 656742861 /nfs/dbraw/zinc/74/28/61/656742861.db2.gz KRDHSHPZPMQBPD-SNVBAGLBSA-N -2 0 387.307 2.548 20 0 GFADRL O=C([O-])[C@H]([N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)c1ccsc1 ZINC000776571867 656760736 /nfs/dbraw/zinc/76/07/36/656760736.db2.gz XVMPFQUMGJSBSN-SNVBAGLBSA-N -2 0 387.307 2.548 20 0 GFADRL CC(=O)OCCCc1cccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000786097180 657405988 /nfs/dbraw/zinc/40/59/88/657405988.db2.gz CUCSCNWVEKOTDG-UHFFFAOYSA-N -2 0 383.447 2.743 20 0 GFADRL COc1cc([N-]S(=O)(=O)c2c(Cl)nc3sccn32)ccc1C(=O)[O-] ZINC000788489362 657728360 /nfs/dbraw/zinc/72/83/60/657728360.db2.gz KXFOSLJBMWAUPF-UHFFFAOYSA-N -2 0 387.826 2.557 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)c(F)cc1Cl ZINC000794759934 658610356 /nfs/dbraw/zinc/61/03/56/658610356.db2.gz KRYFRVSMCFIZJM-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(OC(F)F)nc2)cc1C(=O)[O-] ZINC000802723066 659496247 /nfs/dbraw/zinc/49/62/47/659496247.db2.gz XVCICNZVBTWPGG-UHFFFAOYSA-N -2 0 376.312 2.630 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]C(=O)CCCCC(=O)[O-])c(C)cc1Br ZINC000863955116 662350994 /nfs/dbraw/zinc/35/09/94/662350994.db2.gz ABTYCDRKHGPAAQ-UHFFFAOYSA-N -2 0 392.271 2.516 20 0 GFADRL CC1(C)C[C@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000863955798 662351046 /nfs/dbraw/zinc/35/10/46/662351046.db2.gz YNCFDWLWVYBOEA-CYBMUJFWSA-N -2 0 399.774 2.665 20 0 GFADRL CC(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)[C@@H](C)c1ccc(Cl)cc1Cl ZINC000863957624 662351062 /nfs/dbraw/zinc/35/10/62/662351062.db2.gz QUCKWZISDSCCDH-QPUJVOFHSA-N -2 0 382.265 2.857 20 0 GFADRL C[C@H](c1ccc(Cl)cc1Cl)S(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CCC1 ZINC000863956705 662351069 /nfs/dbraw/zinc/35/10/69/662351069.db2.gz FLCPHZNVVJTBQM-MRVPVSSYSA-N -2 0 380.249 2.755 20 0 GFADRL O=C([O-])C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl)c1ccccc1 ZINC000921206145 664538916 /nfs/dbraw/zinc/53/89/16/664538916.db2.gz VHLMWSVJUWBHIM-CYBMUJFWSA-N -2 0 383.809 2.533 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(Cl)c1 ZINC000146187679 551396895 /nfs/dbraw/zinc/39/68/95/551396895.db2.gz XSNGARXOZIMQDF-UHFFFAOYSA-N -3 0 385.781 2.546 20 0 GFADRL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1OC(C)C ZINC000282003653 563393611 /nfs/dbraw/zinc/39/36/11/563393611.db2.gz NUULYALBBWFDNN-UHFFFAOYSA-N -2 0 387.845 2.668 20 0 GFADRL CCn1cc(S(=O)(=O)[N-]c2ccc(NC(C)=O)c(Cl)c2)cc1C(=O)[O-] ZINC000326749424 563456045 /nfs/dbraw/zinc/45/60/45/563456045.db2.gz LLLFCGJAJCXUBI-UHFFFAOYSA-N -2 0 385.829 2.619 20 0 GFADRL CC(C)Oc1c([N-]S(=O)(=O)c2cc(Cl)cnc2N)cccc1C(=O)[O-] ZINC000410403036 563589904 /nfs/dbraw/zinc/58/99/04/563589904.db2.gz RAAQAQZKZIMACM-UHFFFAOYSA-N -2 0 385.829 2.603 20 0 GFADRL Cc1cc(C)c(S(=O)(=O)[N-]c2cnn(C)c2C(F)(F)F)cc1C(=O)[O-] ZINC000436165451 563666266 /nfs/dbraw/zinc/66/62/66/563666266.db2.gz OAIOPHBKGRILGB-UHFFFAOYSA-N -2 0 377.344 2.555 20 0 GFADRL O=C([O-])c1ccc(O)c(S(=O)(=O)[N-]c2cc(F)ccc2OC(F)F)c1 ZINC000436814291 563680244 /nfs/dbraw/zinc/68/02/44/563680244.db2.gz KFAJJOXZDGWNKV-UHFFFAOYSA-N -2 0 377.296 2.632 20 0 GFADRL Cc1ccc(S(=O)(=O)Nc2ccc(-c3nn[nH]n3)cc2)cc1Br ZINC000438749624 563709391 /nfs/dbraw/zinc/70/93/91/563709391.db2.gz CTQLZURSMRRCEC-UHFFFAOYSA-N -2 0 394.254 2.738 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2OC)cc1CC(=O)[O-] ZINC000538139552 564183614 /nfs/dbraw/zinc/18/36/14/564183614.db2.gz WWNYSDUDVXRQQU-UHFFFAOYSA-N -2 0 385.825 2.785 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2O)cc1CC(=O)[O-] ZINC000471983416 564210230 /nfs/dbraw/zinc/21/02/30/564210230.db2.gz BEVULGQRQBZADQ-UHFFFAOYSA-N -2 0 389.788 2.621 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C(N)=O)c(C)c1C(=O)[O-] ZINC000512771039 564410620 /nfs/dbraw/zinc/41/06/20/564410620.db2.gz IVBUJDUXALZVNT-UHFFFAOYSA-N -2 0 382.825 2.555 20 0 GFADRL Cc1cccc(C(N)=O)c1[N-]S(=O)(=O)c1cc(Cl)c(C)c(C(=O)[O-])c1 ZINC000479292465 564434782 /nfs/dbraw/zinc/43/47/82/564434782.db2.gz ZELVCDCMEABNFW-UHFFFAOYSA-N -2 0 382.825 2.555 20 0 GFADRL Cc1cc(F)c(S(=O)(=O)[N-]CC[C@H](CC(=O)[O-])C(F)(F)F)c(F)c1 ZINC000515166383 564470311 /nfs/dbraw/zinc/47/03/11/564470311.db2.gz NFGFELILDFTKKF-MRVPVSSYSA-N -2 0 375.315 2.595 20 0 GFADRL COC(=O)Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)s1 ZINC000547547071 564492582 /nfs/dbraw/zinc/49/25/82/564492582.db2.gz KCGCBODBWYTLAR-UHFFFAOYSA-N -2 0 389.838 2.616 20 0 GFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)cc1 ZINC000547559290 564494309 /nfs/dbraw/zinc/49/43/09/564494309.db2.gz OVDKBPWIKOJTOZ-UHFFFAOYSA-N -2 0 380.809 2.724 20 0 GFADRL COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(N(C)C)cc2C(=O)[O-])c1 ZINC000548205245 564536981 /nfs/dbraw/zinc/53/69/81/564536981.db2.gz NMLISQDOYCGONF-UHFFFAOYSA-N -2 0 384.841 2.914 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)[O-])sc1C(=O)[O-] ZINC000518646126 564558732 /nfs/dbraw/zinc/55/87/32/564558732.db2.gz MZWLSBUCFHLMQE-UHFFFAOYSA-N -3 0 375.811 2.907 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(Cl)cc(Br)c2O)c[nH]1 ZINC000484605573 564592017 /nfs/dbraw/zinc/59/20/17/564592017.db2.gz NLQAWQYZZQDXTP-UHFFFAOYSA-N -2 0 395.618 2.635 20 0 GFADRL O=C([O-])c1cc([N-]S(=O)(=O)c2cc(F)ccc2Cl)cc2c1OCCO2 ZINC000484961689 564603121 /nfs/dbraw/zinc/60/31/21/564603121.db2.gz KUDKTYKFEDDVKG-UHFFFAOYSA-N -2 0 387.772 2.749 20 0 GFADRL COc1cc(F)ccc1[N-]S(=O)(=O)c1cc(OC)c(C(=O)[O-])cc1Cl ZINC000485269277 564611584 /nfs/dbraw/zinc/61/15/84/564611584.db2.gz CTHNTHVDPAGFMX-UHFFFAOYSA-N -2 0 389.788 2.995 20 0 GFADRL CCn1nc(C)c(S(=O)(=O)[N-]c2c(OC)ccc(Cl)c2C(=O)[O-])c1C ZINC000525527906 564702756 /nfs/dbraw/zinc/70/27/56/564702756.db2.gz SLJPIEISZDOJAE-UHFFFAOYSA-N -2 0 387.845 2.681 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2OCC(F)F)cc1F ZINC000489579287 564744801 /nfs/dbraw/zinc/74/48/01/564744801.db2.gz CDOCZUONDBIBJD-UHFFFAOYSA-N -2 0 375.324 2.969 20 0 GFADRL COC(=O)c1csc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)c1 ZINC000531854302 564921980 /nfs/dbraw/zinc/92/19/80/564921980.db2.gz QWFSGHIDYYZWSG-UHFFFAOYSA-N -2 0 389.838 2.996 20 0 GFADRL CC1(C)CC(=O)c2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)ccc2O1 ZINC000560448639 564962556 /nfs/dbraw/zinc/96/25/56/564962556.db2.gz OIHUXLAHLMECEA-UHFFFAOYSA-N -2 0 381.431 2.991 20 0 GFADRL C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])cc3O)cc(Cl)c2O1 ZINC000467753437 564971283 /nfs/dbraw/zinc/97/12/83/564971283.db2.gz PWZGTLHQWXKNCB-MRVPVSSYSA-N -2 0 383.809 2.868 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2cnccc2C(F)(F)F)c(C(=O)[O-])c1 ZINC000504701696 565042883 /nfs/dbraw/zinc/04/28/83/565042883.db2.gz BFQCYBSRAAXIHO-UHFFFAOYSA-N -2 0 376.312 2.608 20 0 GFADRL CC1(C(=O)[O-])CCN(C(=O)N=c2nc(-c3cccc(Cl)c3)[n-]s2)CC1 ZINC000647698836 565671966 /nfs/dbraw/zinc/67/19/66/565671966.db2.gz AZUWIGUDXSTBBL-UHFFFAOYSA-N -2 0 380.857 2.999 20 0 GFADRL Cc1csc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2OCCCCO)c1 ZINC000629328734 565843996 /nfs/dbraw/zinc/84/39/96/565843996.db2.gz PXHXZFANAGQENW-UHFFFAOYSA-N -2 0 385.463 2.707 20 0 GFADRL C[C@@H]1CN(C(=O)N=c2nc(-c3cccc(Cl)c3)[n-]s2)CC[C@@H]1C(=O)[O-] ZINC000630565546 565910199 /nfs/dbraw/zinc/91/01/99/565910199.db2.gz IPLFHBZWRXBAIA-SKDRFNHKSA-N -2 0 380.857 2.855 20 0 GFADRL CC[C@@H](C(=O)[O-])N(C)C(=O)c1cc(Br)c([O-])c(Br)c1 ZINC000653344197 565963935 /nfs/dbraw/zinc/96/39/35/565963935.db2.gz QQDUBIFKLNDKEL-VIFPVBQESA-N -2 0 395.047 2.852 20 0 GFADRL CC(C)[C@H](CNC(=O)N=c1[n-]nc(-c2ccc(Cl)cc2F)s1)C(=O)[O-] ZINC000653544645 565971825 /nfs/dbraw/zinc/97/18/25/565971825.db2.gz GATBEZLGZHMBET-JTQLQIEISA-N -2 0 386.836 2.898 20 0 GFADRL COC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1Cl ZINC000609819351 566053779 /nfs/dbraw/zinc/05/37/79/566053779.db2.gz KVBDNATWWQTOFP-UHFFFAOYSA-N -2 0 375.811 2.687 20 0 GFADRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)C[C@H](OC)C1CCCC1 ZINC000656621085 566147626 /nfs/dbraw/zinc/14/76/26/566147626.db2.gz MFQBCNJQPDDRBH-ZDUSSCGKSA-N -2 0 391.873 2.994 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)c2sccc2SC(F)F)s1 ZINC000740174123 599704718 /nfs/dbraw/zinc/70/47/18/599704718.db2.gz SQBZELMYRUGBFE-UHFFFAOYSA-N -2 0 399.443 2.941 20 0 GFADRL CC(C)c1noc(-c2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)cc2)n1 ZINC000736538021 599739347 /nfs/dbraw/zinc/73/93/47/599739347.db2.gz PDEWQECGMCTHAL-UHFFFAOYSA-N -2 0 377.378 2.952 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3noc(C(F)F)n3)cc2)o1 ZINC000740177883 599740483 /nfs/dbraw/zinc/74/04/83/599740483.db2.gz SAYQRFFEMXNSJS-UHFFFAOYSA-N -2 0 385.304 2.766 20 0 GFADRL CC(C)[C@@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000736373649 599883345 /nfs/dbraw/zinc/88/33/45/599883345.db2.gz GFIZXKZBLXYZPV-MRXNPFEDSA-N -2 0 382.482 2.831 20 0 GFADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2cccc(-c3n[nH]c(C4CC4)n3)c2)c1 ZINC000588632233 599926604 /nfs/dbraw/zinc/92/66/04/599926604.db2.gz HHCWGYFBVVTLGY-UHFFFAOYSA-N -2 0 390.446 2.910 20 0 GFADRL O=C([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(NC(=O)C2CC2)nc1 ZINC000740136742 599983465 /nfs/dbraw/zinc/98/34/65/599983465.db2.gz WVECNRHMTTYUMY-UHFFFAOYSA-N -2 0 395.824 2.583 20 0 GFADRL CC[C@H](C)N1C(=O)N[C@H](c2cccc(OCCC(=O)[O-])c2)C(C(=O)[O-])=C1C ZINC000736883924 599984820 /nfs/dbraw/zinc/98/48/20/599984820.db2.gz PYVSHFJYZFHXLU-APPDUMDISA-N -2 0 376.409 2.764 20 0 GFADRL O=C([O-])[C@H]1CCCN(C(=O)c2nn(-c3ccccc3C(F)(F)F)cc2[O-])C1 ZINC000739583418 600037913 /nfs/dbraw/zinc/03/79/13/600037913.db2.gz FLAFTHXNTMQMRD-JTQLQIEISA-N -2 0 383.326 2.534 20 0 GFADRL O=C([O-])c1cc(C(F)(F)F)cc(S(=O)(=O)[N-]C(=O)CC2CCCC2)c1 ZINC000739217974 600045066 /nfs/dbraw/zinc/04/50/66/600045066.db2.gz CUSKMTZGFXRKPW-UHFFFAOYSA-N -2 0 379.356 2.789 20 0 GFADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2c3c(nn2-c2ccccc2)CCC3)c1 ZINC000740271827 600055512 /nfs/dbraw/zinc/05/55/12/600055512.db2.gz QIBMJRIXCCJVBY-UHFFFAOYSA-N -2 0 389.458 2.922 20 0 GFADRL COc1cc(OC)c([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])cc1Cl ZINC000737898713 600092589 /nfs/dbraw/zinc/09/25/89/600092589.db2.gz HMYPMUHUTJMCHL-UHFFFAOYSA-N -2 0 389.788 2.995 20 0 GFADRL COC(=O)Nc1cc([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])ccc1F ZINC000737642005 600101114 /nfs/dbraw/zinc/10/11/14/600101114.db2.gz LQTZNVCATUNUIU-UHFFFAOYSA-N -2 0 386.357 2.713 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2nc3nc(C)cc(C(=O)[O-])c3s2)c(C)c1 ZINC000738069536 600102487 /nfs/dbraw/zinc/10/24/87/600102487.db2.gz IJPUTTYQEDTZNM-UHFFFAOYSA-N -2 0 393.446 2.816 20 0 GFADRL O=C([O-])Cc1csc([N-]S(=O)(=O)Cc2cccc(C(F)(F)F)c2)n1 ZINC000738632874 600179278 /nfs/dbraw/zinc/17/92/78/600179278.db2.gz HUYVBCMEGJOPGE-UHFFFAOYSA-N -2 0 380.369 2.731 20 0 GFADRL O=C([O-])c1c[nH]c2cc(NS(=O)(=O)c3cc(F)ccc3C(=O)[O-])ccc12 ZINC000740145426 600237040 /nfs/dbraw/zinc/23/70/40/600237040.db2.gz RLEDVSIMGGITLI-UHFFFAOYSA-N -2 0 378.337 2.504 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2n[nH]c3ccccc32)ccc1Br ZINC000740089950 600244602 /nfs/dbraw/zinc/24/46/02/600244602.db2.gz PFJVSZKDGBQPAY-UHFFFAOYSA-N -2 0 396.222 2.824 20 0 GFADRL Cc1cc(C)c(S(=O)(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)cc1C(=O)[O-] ZINC000738358133 600301698 /nfs/dbraw/zinc/30/16/98/600301698.db2.gz QJRQCIRCWADWEB-UHFFFAOYSA-N -2 0 392.433 2.912 20 0 GFADRL CS(=O)(=O)[N-]c1ccccc1C(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000738167363 600323220 /nfs/dbraw/zinc/32/32/20/600323220.db2.gz ABATZWBIXZXANX-CQSZACIVSA-N -2 0 383.809 2.694 20 0 GFADRL CN(Cc1ccc(NC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)cc1)C(=O)[O-] ZINC000737485445 600331156 /nfs/dbraw/zinc/33/11/56/600331156.db2.gz ODOIIZVSMUTSPP-UHFFFAOYSA-N -2 0 384.417 2.986 20 0 GFADRL CC(C)n1nccc1[N-]S(=O)(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC000736540005 600360642 /nfs/dbraw/zinc/36/06/42/600360642.db2.gz BHKABIBEOBWWHA-UHFFFAOYSA-N -2 0 388.243 2.726 20 0 GFADRL O=C([O-])CCSCc1cccc(NC(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)c1 ZINC000739753440 600363598 /nfs/dbraw/zinc/36/35/98/600363598.db2.gz ITNLHWSMHNBLPU-UHFFFAOYSA-N -2 0 399.428 2.990 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)ccc1OC1CCOCC1 ZINC000738463230 600396345 /nfs/dbraw/zinc/39/63/45/600396345.db2.gz FOACFZLHROENHB-UHFFFAOYSA-N -2 0 381.406 2.645 20 0 GFADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccc(N3CCOC[C@H]3C)cc2)c1C(=O)[O-] ZINC000738969037 600396349 /nfs/dbraw/zinc/39/63/49/600396349.db2.gz GTZUXCNBYCSXEB-LLVKDONJSA-N -2 0 394.449 2.621 20 0 GFADRL CC[C@@H](Sc1ccccc1)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000736927204 600421798 /nfs/dbraw/zinc/42/17/98/600421798.db2.gz AQUDXLHLGFATHP-LLVKDONJSA-N -2 0 385.488 2.822 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3ccccc3)[nH]2)s1 ZINC000739454511 600422298 /nfs/dbraw/zinc/42/22/98/600422298.db2.gz RYTBLIXFOUTQPN-UHFFFAOYSA-N -2 0 376.415 2.560 20 0 GFADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ncccc2OCC2CCCCC2)c1C(=O)[O-] ZINC000738335743 600423965 /nfs/dbraw/zinc/42/39/65/600423965.db2.gz XFVXNGPTJCFYIJ-UHFFFAOYSA-N -2 0 394.453 2.571 20 0 GFADRL COCCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC000048382774 600543090 /nfs/dbraw/zinc/54/30/90/600543090.db2.gz GOYSGTKBFOZGAA-UHFFFAOYSA-N -2 0 395.433 2.528 20 0 GFADRL COc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cc1C(=O)[O-] ZINC000063180338 600543706 /nfs/dbraw/zinc/54/37/06/600543706.db2.gz GMXQUFLLDIMLBJ-UHFFFAOYSA-N -2 0 385.781 2.546 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cn2)cc1C(=O)[O-] ZINC000738063600 600659487 /nfs/dbraw/zinc/65/94/87/600659487.db2.gz BSDLABOBAIJZDA-UHFFFAOYSA-N -2 0 391.449 2.580 20 0 GFADRL CCOC(=O)/C=C\c1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1 ZINC000327636858 600672568 /nfs/dbraw/zinc/67/25/68/600672568.db2.gz RNSVKFXERUUYES-YVMONPNESA-N -2 0 381.431 2.823 20 0 GFADRL CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1Cl ZINC000299597616 600673692 /nfs/dbraw/zinc/67/36/92/600673692.db2.gz LZURJIIUMGVWSG-UHFFFAOYSA-N -2 0 399.856 2.649 20 0 GFADRL CCCN(CCC)C(=O)c1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1 ZINC000299645764 600675032 /nfs/dbraw/zinc/67/50/32/600675032.db2.gz WCNWQRYKYRRUFN-UHFFFAOYSA-N -2 0 393.465 2.776 20 0 GFADRL CC(C)Sc1ccc(Cl)cc1[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000827072845 600681521 /nfs/dbraw/zinc/68/15/21/600681521.db2.gz KACDHGQYRROFSL-UHFFFAOYSA-N -2 0 389.886 2.922 20 0 GFADRL CC(C)Sc1c(Cl)cccc1[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000827072867 600684923 /nfs/dbraw/zinc/68/49/23/600684923.db2.gz KQZUJEUQJKMIGG-UHFFFAOYSA-N -2 0 389.886 2.922 20 0 GFADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2c3nsnc3ccc2Cl)c1 ZINC000316784175 600686397 /nfs/dbraw/zinc/68/63/97/600686397.db2.gz QEMJABMZZWVSGV-UHFFFAOYSA-N -2 0 375.840 2.905 20 0 GFADRL CCc1c([O-])nc(SC/C=C(\C)C(=O)[O-])n(-c2cccc(OC)c2)c1=O ZINC000830210034 600728854 /nfs/dbraw/zinc/72/88/54/600728854.db2.gz UNBBKINXPMYSLT-DHZHZOJOSA-N -2 0 376.434 2.632 20 0 GFADRL Cn1cc(S(=O)(=O)[N-]c2ccccc2NC(=O)OC(C)(C)C)cc1C(=O)[O-] ZINC000833055992 600830598 /nfs/dbraw/zinc/83/05/98/600830598.db2.gz QWIDBAHILFYXRN-UHFFFAOYSA-N -2 0 395.437 2.871 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)c2cccc(-c3cscn3)c2)s1 ZINC000833148891 600941486 /nfs/dbraw/zinc/94/14/86/600941486.db2.gz SVOLWIMNCJVUKA-UHFFFAOYSA-N -2 0 394.455 2.689 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ncccc2OCC2CCCCC2)c[nH]1 ZINC000833306417 600981763 /nfs/dbraw/zinc/98/17/63/600981763.db2.gz RHBAJJYMPPVTLP-UHFFFAOYSA-N -2 0 379.438 2.868 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cc(Cl)ccc1OC ZINC000832373691 601150778 /nfs/dbraw/zinc/15/07/78/601150778.db2.gz GGQCJVTXMKGIAQ-UHFFFAOYSA-N -2 0 377.827 2.918 20 0 GFADRL Cc1ccc(OCCCC(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1C ZINC000832951986 601192905 /nfs/dbraw/zinc/19/29/05/601192905.db2.gz AAFLHVAAYGDTOE-UHFFFAOYSA-N -2 0 391.445 2.666 20 0 GFADRL Cc1cc(C(=O)N(CCC(=O)[O-])C(C)C)ccc1[N-]S(=O)(=O)C(F)(F)F ZINC000268898628 601200279 /nfs/dbraw/zinc/20/02/79/601200279.db2.gz REPSVGDLQYXVRB-UHFFFAOYSA-N -2 0 396.387 2.582 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)[O-])c2)c1F ZINC000832868231 601224396 /nfs/dbraw/zinc/22/43/96/601224396.db2.gz JAEUVZPTUGANJU-UHFFFAOYSA-N -3 0 386.332 2.862 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCCCO3)cc1C(=O)[O-] ZINC000833029151 601232337 /nfs/dbraw/zinc/23/23/37/601232337.db2.gz CZDUWKYXLYYNCD-UHFFFAOYSA-N -2 0 387.797 2.902 20 0 GFADRL O=C([O-])[C@H]1C[C@@H](C2CCCCC2)CN1C(=O)CSc1n[n-]c(=S)s1 ZINC000833177478 601292330 /nfs/dbraw/zinc/29/23/30/601292330.db2.gz OZFZIRGDYOIMGM-GHMZBOCLSA-N -2 0 387.552 2.801 20 0 GFADRL COc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2cc(C)cc(F)c2)c(OC)c1OC ZINC000476270630 601319526 /nfs/dbraw/zinc/31/95/26/601319526.db2.gz GDUBXOYNOCCUCT-UHFFFAOYSA-N -2 0 399.396 2.659 20 0 GFADRL CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000032630097 601322975 /nfs/dbraw/zinc/32/29/75/601322975.db2.gz FBNAGVHBUUNLNU-UHFFFAOYSA-N -2 0 376.434 2.552 20 0 GFADRL CC(=O)Nc1cc(F)c(F)cc1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000825884365 601328811 /nfs/dbraw/zinc/32/88/11/601328811.db2.gz KWGFGSITFSQDME-QPJJXVBHSA-N -2 0 396.371 2.822 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)cc1NC(C)=O ZINC000592009064 601329693 /nfs/dbraw/zinc/32/96/93/601329693.db2.gz LGIZIHFASYIYIP-UHFFFAOYSA-N -2 0 398.824 2.806 20 0 GFADRL Cc1cc(C)c(C(=O)[O-])c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1 ZINC000832872148 601335427 /nfs/dbraw/zinc/33/54/27/601335427.db2.gz JWTCFTYUVCVBTN-UHFFFAOYSA-N -3 0 385.344 2.779 20 0 GFADRL COc1cc(/C=C\C(=O)[O-])cc(S(=O)(=O)[N-]c2cc(C(C)C)on2)c1OC ZINC000831973084 601362671 /nfs/dbraw/zinc/36/26/71/601362671.db2.gz ZPVDZPICCUPNQE-WAYWQWQTSA-N -2 0 396.421 2.714 20 0 GFADRL O=C([O-])N1CCC(NC(=O)c2cc(Cl)cc(Br)c2[O-])CC1 ZINC000833129461 601387899 /nfs/dbraw/zinc/38/78/99/601387899.db2.gz DTHJUYIRWHWRSO-UHFFFAOYSA-N -2 0 377.622 2.680 20 0 GFADRL Cc1cccc(S(=O)(=O)[N-]c2cnn(-c3ccccc3F)c2)c1C(=O)[O-] ZINC000832972883 601492660 /nfs/dbraw/zinc/49/26/60/601492660.db2.gz OPZPQQQYKOQIBW-UHFFFAOYSA-N -2 0 375.381 2.819 20 0 GFADRL O=C(/C=C/c1ccc2ccccc2n1)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000833095078 601499412 /nfs/dbraw/zinc/49/94/12/601499412.db2.gz PIPRNNIQULTLOG-BQYQJAHWSA-N -2 0 388.426 2.513 20 0 GFADRL CC[C@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000828586278 601500504 /nfs/dbraw/zinc/50/05/04/601500504.db2.gz CQJCTKMOKHSYRI-LBPRGKRZSA-N -2 0 381.372 2.510 20 0 GFADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2nnc(Cc3ccc(F)cc3)s2)c1 ZINC000833344359 601504208 /nfs/dbraw/zinc/50/42/08/601504208.db2.gz NEWJSVXENZUQAP-UHFFFAOYSA-N -2 0 399.450 2.829 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)c2cc(F)cc(C(F)(F)F)c2)s1 ZINC000833148956 601598959 /nfs/dbraw/zinc/59/89/59/601598959.db2.gz VFQJKVNKDUTCRA-UHFFFAOYSA-N -2 0 397.327 2.723 20 0 GFADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)c2cc(F)cc(C(F)(F)F)c2)c1 ZINC000833334000 601599586 /nfs/dbraw/zinc/59/95/86/601599586.db2.gz SUKYJDLLONKDPB-UHFFFAOYSA-N -2 0 391.298 2.661 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(-c2ccc(C)s2)[nH]n1 ZINC000444423880 601605152 /nfs/dbraw/zinc/60/51/52/601605152.db2.gz UDEOALIXHXIXBC-UHFFFAOYSA-N -2 0 393.446 2.954 20 0 GFADRL Cc1ccc(-n2[n-]c(C(=O)N[C@H](c3ccccc3)[C@H](C)C(=O)[O-])cc2=O)cc1 ZINC000832909715 601610690 /nfs/dbraw/zinc/61/06/90/601610690.db2.gz HMWLVYJTMGZDHL-LIRRHRJNSA-N -2 0 379.416 2.666 20 0 GFADRL CC[C@@H](NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(C)c1)C(=O)[O-] ZINC000486198538 601749368 /nfs/dbraw/zinc/74/93/68/601749368.db2.gz UDBQCIYXAWOFHN-OAHLLOKOSA-N -2 0 394.424 2.528 20 0 GFADRL Cc1cc(F)cc(C(=O)[O-])c1NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000832887702 601829449 /nfs/dbraw/zinc/82/94/49/601829449.db2.gz YVKNYHFWYONKNL-UHFFFAOYSA-N -2 0 387.772 2.985 20 0 GFADRL COc1cc(OC)c([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc1F ZINC000755977556 601830191 /nfs/dbraw/zinc/83/01/91/601830191.db2.gz BWTPKZOLZPKDBO-UHFFFAOYSA-N -2 0 389.788 2.995 20 0 GFADRL COc1cc(C)c([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])cc1OC ZINC000831966589 601831060 /nfs/dbraw/zinc/83/10/60/601831060.db2.gz FBYMXDKFBQMVIZ-UHFFFAOYSA-N -2 0 386.813 2.560 20 0 GFADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ccc(OCc2ccccc2)nc1 ZINC000833346990 601837568 /nfs/dbraw/zinc/83/75/68/601837568.db2.gz YYHRUPIKDLCLDY-UHFFFAOYSA-N -2 0 391.430 2.616 20 0 GFADRL Cc1cc(N2CCSCC2)ccc1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000832892052 601839749 /nfs/dbraw/zinc/83/97/49/601839749.db2.gz VYENOIWHVFIUNZ-UHFFFAOYSA-N -2 0 399.519 2.504 20 0 GFADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ccnc(Sc2ccccn2)c1 ZINC000833346245 601840410 /nfs/dbraw/zinc/84/04/10/601840410.db2.gz MCMASRUVROEAPW-UHFFFAOYSA-N -2 0 394.459 2.583 20 0 GFADRL Cc1ccc(-c2cncc(C(=O)[N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)c2)cc1 ZINC000832907379 601982298 /nfs/dbraw/zinc/98/22/98/601982298.db2.gz UDTRPJJCQKAPIK-UHFFFAOYSA-N -2 0 396.424 2.874 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2nnc(-c3ccc(Cl)cc3)s2)c[nH]1 ZINC000833306097 602157982 /nfs/dbraw/zinc/15/79/82/602157982.db2.gz DCFBPFZPVSOBJZ-UHFFFAOYSA-N -2 0 384.826 2.686 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)cc2O)ccc1Br ZINC000765100655 602201206 /nfs/dbraw/zinc/20/12/06/602201206.db2.gz LRZFJXVZAYAGNL-UHFFFAOYSA-N -2 0 390.186 2.793 20 0 GFADRL COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3c(c2)CCN3C(=O)[O-])c1 ZINC000739933016 602245616 /nfs/dbraw/zinc/24/56/16/602245616.db2.gz YMTSMLOUIQVIGY-UHFFFAOYSA-N -2 0 378.406 2.545 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(CCc3ccccc3)[nH]n2)s1 ZINC000833323646 602309099 /nfs/dbraw/zinc/30/90/99/602309099.db2.gz WKARUTMNFBRKKN-UHFFFAOYSA-N -2 0 377.447 2.755 20 0 GFADRL COC(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)cc1F ZINC000831434919 602321310 /nfs/dbraw/zinc/32/13/10/602321310.db2.gz KTWWJINFRRSIBT-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL COc1cc(NS(=O)(=O)c2cc(C(=O)[O-])sc2C)ccc1NC(=O)[O-] ZINC000739867493 602645598 /nfs/dbraw/zinc/64/55/98/602645598.db2.gz BSCPOAKGDUTOEQ-UHFFFAOYSA-N -2 0 386.407 2.654 20 0 GFADRL CCN(Cc1ccccc1[N-]S(=O)(=O)c1cccc2c1COC2=O)C(=O)[O-] ZINC000739444691 602653942 /nfs/dbraw/zinc/65/39/42/602653942.db2.gz MLQNPNBLGZQTMH-UHFFFAOYSA-N -2 0 390.417 2.658 20 0 GFADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000830957216 603404281 /nfs/dbraw/zinc/40/42/81/603404281.db2.gz MNGMBJGAEXGWTO-QMMMGPOBSA-N -2 0 384.435 2.884 20 0 GFADRL O=C([O-])CCC(=O)c1ccc(S(=O)(=O)Nc2ccc(NC(=O)[O-])cc2)cc1 ZINC000831816090 603502629 /nfs/dbraw/zinc/50/26/29/603502629.db2.gz ZIJYDADQRANSBL-UHFFFAOYSA-N -2 0 392.389 2.625 20 0 GFADRL CC(C)Cn1cnc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(=O)[O-])c1 ZINC000824324257 603861315 /nfs/dbraw/zinc/86/13/15/603861315.db2.gz SJPMGTDXYLFSAC-UHFFFAOYSA-N -2 0 378.454 2.771 20 0 GFADRL O=C([O-])NCc1nnc(-c2ccc(NC(=O)c3c([O-])cccc3Cl)cc2)[nH]1 ZINC000832729086 603910765 /nfs/dbraw/zinc/91/07/65/603910765.db2.gz BDFKXSASLPUEQH-UHFFFAOYSA-N -2 0 387.783 2.851 20 0 GFADRL Cc1cc(F)c(S(=O)(=O)[N-]c2nc3c(s2)CN(C(=O)[O-])CC3)cc1F ZINC000830054634 604262476 /nfs/dbraw/zinc/26/24/76/604262476.db2.gz FNCMKQXSIBIGAD-UHFFFAOYSA-N -2 0 389.405 2.567 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@@H](C)[C@@H]2CCCN(C(=O)[O-])C2)c(C)c1 ZINC000830414319 604395105 /nfs/dbraw/zinc/39/51/05/604395105.db2.gz JAOYZUQAEWJUHJ-UKRRQHHQSA-N -2 0 382.482 2.525 20 0 GFADRL Cc1c(C(F)(F)F)cccc1S(=O)(=O)[N-]C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000832853766 604397014 /nfs/dbraw/zinc/39/70/14/604397014.db2.gz UVKMDAJFJLINGD-QWRGUYRKSA-N -2 0 393.383 2.710 20 0 GFADRL Cc1ccc(OCCCC(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)c(C)c1 ZINC000832952548 604408929 /nfs/dbraw/zinc/40/89/29/604408929.db2.gz QUUQFSXPSGQICF-UHFFFAOYSA-N -2 0 397.474 2.727 20 0 GFADRL Cc1cc(S(=O)(=O)Nc2cccc3c2CCN3C(=O)[O-])cc(C(=O)[O-])c1C ZINC000830137534 604427578 /nfs/dbraw/zinc/42/75/78/604427578.db2.gz CIWXSWFVXFIZDM-UHFFFAOYSA-N -2 0 390.417 2.843 20 0 GFADRL CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cncc(C(=O)[O-])c2)cc1 ZINC000833421885 604534001 /nfs/dbraw/zinc/53/40/01/604534001.db2.gz KGPGYEVCGKNQOQ-UHFFFAOYSA-N -2 0 377.422 2.565 20 0 GFADRL Cc1cc(C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C(F)(F)F)c2)oc1C ZINC000832865144 604701489 /nfs/dbraw/zinc/70/14/89/604701489.db2.gz PDEZNCXJUITSPY-UHFFFAOYSA-N -2 0 391.323 2.732 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])n(C2CCOCC2)n1 ZINC000832900034 604798528 /nfs/dbraw/zinc/79/85/28/604798528.db2.gz YGWPOVFPWGWVLL-UHFFFAOYSA-N -2 0 399.856 2.695 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(O)c2C)c(OC)c1C(=O)[O-] ZINC000833734505 604861936 /nfs/dbraw/zinc/86/19/36/604861936.db2.gz IZBVDMNIJJNKSZ-UHFFFAOYSA-N -2 0 381.406 2.525 20 0 GFADRL CC(C)(C)c1ccc(S(=O)(=O)[N-]C(=O)c2cccc(OCC(=O)[O-])c2)s1 ZINC000833449140 605121819 /nfs/dbraw/zinc/12/18/19/605121819.db2.gz NVPWILXJWZXVCE-UHFFFAOYSA-N -2 0 397.474 2.628 20 0 GFADRL COc1cc(F)c(S(=O)(=O)[N-]c2scc(C(=O)[O-])c2C)cc1OC ZINC000833728243 605125495 /nfs/dbraw/zinc/12/54/95/605125495.db2.gz AGMOZOKTVKGVOA-UHFFFAOYSA-N -2 0 375.399 2.712 20 0 GFADRL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000833741466 605127362 /nfs/dbraw/zinc/12/73/62/605127362.db2.gz OFPNVEZMJSXGOE-UHFFFAOYSA-N -2 0 384.410 2.579 20 0 GFADRL CC(C)Cn1ncc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)c1C(C)C ZINC000833494561 605151186 /nfs/dbraw/zinc/15/11/86/605151186.db2.gz RKISTBSILRCFDF-UHFFFAOYSA-N -2 0 381.454 2.867 20 0 GFADRL CC(=O)Nc1cc(F)c(F)cc1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000485268235 605164412 /nfs/dbraw/zinc/16/44/12/605164412.db2.gz BVHWOYMHKRSQGC-UHFFFAOYSA-N -2 0 388.323 2.561 20 0 GFADRL Cc1cc(F)c(S(=O)(=O)[N-]c2cc(Cl)cc(C(=O)[O-])c2)cc1C(=O)[O-] ZINC000833744669 605169263 /nfs/dbraw/zinc/16/92/63/605169263.db2.gz LYQUQIUSHLZNHZ-UHFFFAOYSA-N -3 0 387.772 2.985 20 0 GFADRL CC(C)(C)OC(=O)Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000833435044 605186944 /nfs/dbraw/zinc/18/69/44/605186944.db2.gz UDFKIBGMJRSZMU-UHFFFAOYSA-N -2 0 381.406 2.663 20 0 GFADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnc(Br)c(C)c1 ZINC000181178623 605262312 /nfs/dbraw/zinc/26/23/12/605262312.db2.gz IJEWLCBSIKBZRN-UHFFFAOYSA-N -2 0 385.239 2.960 20 0 GFADRL Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1cccc(CNC(=O)[O-])c1 ZINC000833921868 605315249 /nfs/dbraw/zinc/31/52/49/605315249.db2.gz LIEOAVSBFVLUNX-UHFFFAOYSA-N -2 0 380.470 2.724 20 0 GFADRL O=C([O-])c1csc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)c(Cl)c2F)c1 ZINC000833784850 605597246 /nfs/dbraw/zinc/59/72/46/605597246.db2.gz QANBFWOAKUIXRS-UHFFFAOYSA-N -3 0 397.764 2.877 20 0 GFADRL O=C([O-])N[C@@H](CC(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F)c1ccccc1 ZINC000834121210 606048322 /nfs/dbraw/zinc/04/83/22/606048322.db2.gz GLTZLQHKERLWPA-GOEBONIOSA-N -2 0 378.331 2.606 20 0 GFADRL O=C([O-])N[C@@H]1CC[C@@H](C(=O)NC[C@@H](Cc2cccc3ccccc32)C(=O)[O-])C1 ZINC000834170789 606062575 /nfs/dbraw/zinc/06/25/75/606062575.db2.gz QOVXFHNHRUDCCW-BRWVUGGUSA-N -2 0 384.432 2.636 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2cnc3c(c2)C[C@@H](NC(=O)[O-])CC3)cc(C)c1F ZINC000833900765 606078367 /nfs/dbraw/zinc/07/83/67/606078367.db2.gz AEESUEZMBBTLFO-ZDUSSCGKSA-N -2 0 393.440 2.763 20 0 GFADRL O=C([O-])N[C@H]1CCc2ncc([N-]S(=O)(=O)c3ccccc3Cl)cc2C1 ZINC000834193335 606079799 /nfs/dbraw/zinc/07/97/99/606079799.db2.gz JSZWXQBXADGDFJ-NSHDSACASA-N -2 0 381.841 2.661 20 0 GFADRL Cn1cnnc1Sc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC000012650285 654501299 /nfs/dbraw/zinc/50/12/99/654501299.db2.gz YNXXUGWFFSUMCB-UHFFFAOYSA-N -2 0 396.475 2.527 20 0 GFADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2cccc(Oc3cnccn3)c2)c1 ZINC000032594871 654606126 /nfs/dbraw/zinc/60/61/26/654606126.db2.gz PJHNYVTXRPZXAL-UHFFFAOYSA-N -2 0 377.403 2.829 20 0 GFADRL COCCOc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000057126045 654801637 /nfs/dbraw/zinc/80/16/37/654801637.db2.gz PNPMDIUEHKIVNE-UHFFFAOYSA-N -2 0 385.825 2.864 20 0 GFADRL Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccc(C)cc1SCCC(=O)[O-] ZINC000274928176 655207699 /nfs/dbraw/zinc/20/76/99/655207699.db2.gz OJSQNCZDKNSKSM-UHFFFAOYSA-N -2 0 383.495 2.713 20 0 GFADRL COC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])c1 ZINC000733875751 655622422 /nfs/dbraw/zinc/62/24/22/655622422.db2.gz OQPHSXJUYOJDBI-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL COC(=O)c1cc(Cl)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)c1 ZINC000736064417 655658190 /nfs/dbraw/zinc/65/81/90/655658190.db2.gz IICOCBMECLEJJF-UHFFFAOYSA-N -2 0 389.838 2.996 20 0 GFADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(SC(=O)N(C)C)c1 ZINC000746055269 655758051 /nfs/dbraw/zinc/75/80/51/655758051.db2.gz BFVWDAZECPHNGM-UHFFFAOYSA-N -2 0 384.435 2.861 20 0 GFADRL Cc1oncc1[N-]S(=O)(=O)c1cc(Br)c(Cl)c(C(=O)[O-])c1 ZINC000753524773 655855451 /nfs/dbraw/zinc/85/54/51/655855451.db2.gz XJSNBEUUGPEYOE-UHFFFAOYSA-N -2 0 395.618 2.898 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(O)c2)c(Br)cc1F ZINC000762463893 656043025 /nfs/dbraw/zinc/04/30/25/656043025.db2.gz ZJPJYHNPNJNKHX-UHFFFAOYSA-N -2 0 390.186 2.793 20 0 GFADRL Cc1oncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1Br ZINC000768284293 656236067 /nfs/dbraw/zinc/23/60/67/656236067.db2.gz FMLVZDFQCFSFAS-UHFFFAOYSA-N -2 0 375.200 2.553 20 0 GFADRL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-]c2cccc(O)c2F)s1 ZINC000769637623 656283549 /nfs/dbraw/zinc/28/35/49/656283549.db2.gz IMMRFYWIFQJOBY-UHFFFAOYSA-N -2 0 396.215 2.854 20 0 GFADRL Cn1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)c(Cl)c2F)c1C1CC1 ZINC000769868770 656296158 /nfs/dbraw/zinc/29/61/58/656296158.db2.gz OPXABASPQNJTTR-UHFFFAOYSA-N -2 0 391.783 2.728 20 0 GFADRL Cn1c(=O)c2ccc(C(=O)Nc3cc(F)cc(Cl)c3[O-])cc2[n-]c1=S ZINC000771502769 656351491 /nfs/dbraw/zinc/35/14/91/656351491.db2.gz DDZBHDRCPGMIBQ-UHFFFAOYSA-N -2 0 379.800 2.973 20 0 GFADRL COC[C@H](C)n1ccc([N-]S(=O)(=O)c2cc(C)c(Cl)c(C(=O)[O-])c2)n1 ZINC000777661602 656831661 /nfs/dbraw/zinc/83/16/61/656831661.db2.gz RNXFODSACFGZHQ-JTQLQIEISA-N -2 0 387.845 2.551 20 0 GFADRL COC[C@@H](C)n1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Cl)n1 ZINC000777662300 656831668 /nfs/dbraw/zinc/83/16/68/656831668.db2.gz XANBJMYYPXUZNE-SNVBAGLBSA-N -2 0 387.845 2.551 20 0 GFADRL COC(=O)c1scc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000780404536 657004053 /nfs/dbraw/zinc/00/40/53/657004053.db2.gz GWIVSGJICMEZFU-UHFFFAOYSA-N -2 0 391.373 2.620 20 0 GFADRL CO[C@@H]1Cc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3Cl)cc2C1 ZINC000783864384 657266488 /nfs/dbraw/zinc/26/64/88/657266488.db2.gz VYNXWMSKKUUUCO-CQSZACIVSA-N -2 0 381.837 2.953 20 0 GFADRL Cc1onc(OC(F)F)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000791433556 658098311 /nfs/dbraw/zinc/09/83/11/658098311.db2.gz XNAXXCXUIBBVEY-UHFFFAOYSA-N -2 0 382.728 2.737 20 0 GFADRL O=C([O-])CCCCC(=O)[N-]S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000863957917 662351284 /nfs/dbraw/zinc/35/12/84/662351284.db2.gz JBEUHRXXCIBYSQ-UHFFFAOYSA-N -2 0 387.763 2.809 20 0 GFADRL O=C([O-])C[C@H]([N-]S(=O)(=O)c1oc2ccccc2c1Br)C1CC1 ZINC000864433493 662370897 /nfs/dbraw/zinc/37/08/97/662370897.db2.gz MBYTVDZTCPUYOL-JTQLQIEISA-N -2 0 388.239 2.727 20 0 GFADRL CCCC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl)C(=O)[O-] ZINC000916107784 664450350 /nfs/dbraw/zinc/45/03/50/664450350.db2.gz GFCRIGCLSPIKGC-JTQLQIEISA-N -2 0 384.237 2.613 20 0 GFADRL COc1cc(OC)c([N-]S(=O)(=O)c2cccc(Cl)c2F)c(C(=O)[O-])c1 ZINC000110394172 551204407 /nfs/dbraw/zinc/20/44/07/551204407.db2.gz CCXOFCVCOVPWMC-UHFFFAOYSA-N -2 0 389.788 2.995 20 0 GFADRL Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(F)cc2[N-]S(C)(=O)=O)cc1F ZINC000179765900 552202604 /nfs/dbraw/zinc/20/26/04/552202604.db2.gz QIOFKVQAMIFLPR-UHFFFAOYSA-N -2 0 394.396 2.585 20 0 GFADRL CS(=O)(=O)[N-]c1cc(F)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000179765926 552202618 /nfs/dbraw/zinc/20/26/18/552202618.db2.gz LZVZNCGJXQRAGQ-UHFFFAOYSA-N -2 0 378.834 2.651 20 0 GFADRL Cc1ncc(S(=O)(=O)[N-]c2cc(Br)cc(C(=O)[O-])c2)s1 ZINC000229619537 553064535 /nfs/dbraw/zinc/06/45/35/553064535.db2.gz WJNBBROSGFLOLK-UHFFFAOYSA-N -2 0 377.241 2.713 20 0 GFADRL C[C@@H](OC(C)(C)C)[C@H](NS(=O)(=O)c1cc(Cl)sc1Cl)C(=O)[O-] ZINC000319354930 563444673 /nfs/dbraw/zinc/44/46/73/563444673.db2.gz NKIJIVYRBHXURJ-MUWHJKNJSA-N -2 0 390.310 2.990 20 0 GFADRL Cn1cc(-c2cc(F)ccc2[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cn1 ZINC000370571953 563248519 /nfs/dbraw/zinc/24/85/19/563248519.db2.gz KLQFSLHJFCBZSA-UHFFFAOYSA-N -2 0 381.410 2.787 20 0 GFADRL C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)N=c2nc(-c3ccccc3Cl)[n-]s2)C1 ZINC000422534201 563342093 /nfs/dbraw/zinc/34/20/93/563342093.db2.gz AHSBPVFXBQAZNU-NXEZZACHSA-N -2 0 380.857 2.855 20 0 GFADRL CSc1ccccc1N(C)S(=O)(=O)c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000425968754 563440905 /nfs/dbraw/zinc/44/09/05/563440905.db2.gz TZOVJFKKJLXWFW-UHFFFAOYSA-N -2 0 381.431 2.630 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc3c[nH]nc32)c(Br)c1 ZINC000319540202 563445786 /nfs/dbraw/zinc/44/57/86/563445786.db2.gz BZKWAIBJNFAHTP-UHFFFAOYSA-N -2 0 396.222 2.824 20 0 GFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)c(O)c1 ZINC000327057414 563456448 /nfs/dbraw/zinc/45/64/48/563456448.db2.gz ACKNFIFFBYURRM-UHFFFAOYSA-N -2 0 377.296 2.790 20 0 GFADRL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1F ZINC000427311469 563465199 /nfs/dbraw/zinc/46/51/99/563465199.db2.gz CEEORPBHTVXLLX-UHFFFAOYSA-N -2 0 387.772 2.985 20 0 GFADRL CNS(=O)(=O)c1ccc(O)c(NC(=O)c2cc3cc(Cl)sc3[nH]2)c1 ZINC000427909200 563478297 /nfs/dbraw/zinc/47/82/97/563478297.db2.gz RVJHYLJSKSDMGJ-UHFFFAOYSA-N -2 0 385.854 2.749 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2cnn(C)c2C(F)(F)F)cc(C(=O)[O-])c1C ZINC000436158660 563665661 /nfs/dbraw/zinc/66/56/61/563665661.db2.gz XBFBCBGPZXXHRE-UHFFFAOYSA-N -2 0 377.344 2.555 20 0 GFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(F)ccc2Br)cc1O ZINC000436641735 563676391 /nfs/dbraw/zinc/67/63/91/563676391.db2.gz XEHDYFPUJRUQKU-UHFFFAOYSA-N -2 0 390.186 2.793 20 0 GFADRL CO[C@@H](C)c1nc(=NC(=O)c2cc(F)cc(Br)c2[O-])s[n-]1 ZINC000436730874 563677640 /nfs/dbraw/zinc/67/76/40/563677640.db2.gz NCMAGUULUZTLSZ-YFKPBYRVSA-N -2 0 376.207 2.527 20 0 GFADRL CO[C@H](C)c1nc(=NC(=O)c2cc(F)cc(Br)c2[O-])s[n-]1 ZINC000436730873 563678077 /nfs/dbraw/zinc/67/80/77/563678077.db2.gz NCMAGUULUZTLSZ-RXMQYKEDSA-N -2 0 376.207 2.527 20 0 GFADRL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000436716920 563678117 /nfs/dbraw/zinc/67/81/17/563678117.db2.gz AUOSSTXNBDUJIK-UHFFFAOYSA-N -3 0 385.781 2.551 20 0 GFADRL O=C([O-])c1ccc(O)c(S(=O)(=O)[N-]c2ccccc2CC(F)(F)F)c1 ZINC000436993435 563687330 /nfs/dbraw/zinc/68/73/30/563687330.db2.gz CBRNHNCYTRKPPN-UHFFFAOYSA-N -2 0 375.324 2.996 20 0 GFADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(F)c(Br)c2)c1O ZINC000436994242 563687403 /nfs/dbraw/zinc/68/74/03/563687403.db2.gz LPZATBQZFDOKLQ-UHFFFAOYSA-N -2 0 390.186 2.793 20 0 GFADRL CCc1nnc(-c2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)cc2)o1 ZINC000438728155 563709762 /nfs/dbraw/zinc/70/97/62/563709762.db2.gz YTVQTZSIBPTFBE-UHFFFAOYSA-N -2 0 379.419 2.860 20 0 GFADRL CC(=O)N1CCSc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)cc21 ZINC000363076335 563713483 /nfs/dbraw/zinc/71/34/83/563713483.db2.gz NAGDRLBOPFGPIW-UHFFFAOYSA-N -2 0 398.487 2.706 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(-c3cccc(F)c3F)[nH]n2)cs1 ZINC000471135421 564187122 /nfs/dbraw/zinc/18/71/22/564187122.db2.gz AVRNIIVLSUFULZ-UHFFFAOYSA-N -2 0 385.373 2.915 20 0 GFADRL CSc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC000539399614 564219190 /nfs/dbraw/zinc/21/91/90/564219190.db2.gz WEOJDEMVYKBRDQ-UHFFFAOYSA-N -2 0 381.431 2.914 20 0 GFADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cn(C)nc1C(F)(F)F ZINC000542768589 564325383 /nfs/dbraw/zinc/32/53/83/564325383.db2.gz ITARMOVRQKAHHD-UHFFFAOYSA-N -2 0 377.344 2.500 20 0 GFADRL CCN(Cc1ccccc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1)C(C)=O ZINC000515452672 564479013 /nfs/dbraw/zinc/47/90/13/564479013.db2.gz WVJXEZIUJKMXIG-UHFFFAOYSA-N -2 0 382.463 2.616 20 0 GFADRL O=C([O-])[C@@H](Cc1cccc(Cl)c1)[N-]S(=O)(=O)c1c(F)cccc1F ZINC000547936172 564523767 /nfs/dbraw/zinc/52/37/67/564523767.db2.gz CREACGOQJXPUCC-CYBMUJFWSA-N -2 0 375.780 2.592 20 0 GFADRL Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl ZINC000548538978 564557451 /nfs/dbraw/zinc/55/74/51/564557451.db2.gz GORQQEDNEYCORR-UHFFFAOYSA-N -2 0 382.781 2.582 20 0 GFADRL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(Cl)s2)cc2c1OCCO2 ZINC000484968802 564602831 /nfs/dbraw/zinc/60/28/31/564602831.db2.gz XILOSDIFMIGXMW-UHFFFAOYSA-N -2 0 375.811 2.672 20 0 GFADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)Cc2cccc(Cl)c2)c1OC ZINC000573403928 564636501 /nfs/dbraw/zinc/63/65/01/564636501.db2.gz BYUYKIZWGKKNBT-UHFFFAOYSA-N -2 0 385.825 2.997 20 0 GFADRL CCc1ccc(S(=O)(=O)[N-]c2ccccc2-n2ccc(C(=O)[O-])n2)s1 ZINC000522958489 564660316 /nfs/dbraw/zinc/66/03/16/564660316.db2.gz SRPBVMAVZVNFQZ-UHFFFAOYSA-N -2 0 377.447 2.995 20 0 GFADRL CC1(C)C[C@H](NS(=O)(=O)c2csnc2C(=O)[O-])c2ccc(F)cc2O1 ZINC000579468794 564747995 /nfs/dbraw/zinc/74/79/95/564747995.db2.gz KXQSAOFVFPXSBO-JTQLQIEISA-N -2 0 386.426 2.561 20 0 GFADRL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000489760400 564751603 /nfs/dbraw/zinc/75/16/03/564751603.db2.gz BZKUEKIQXPTNNN-UHFFFAOYSA-N -3 0 385.781 2.546 20 0 GFADRL NC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000489759248 564751684 /nfs/dbraw/zinc/75/16/84/564751684.db2.gz XWAYIUJCPQTMLM-UHFFFAOYSA-N -2 0 389.216 2.591 20 0 GFADRL COc1cc(S(=O)(=O)[N-]c2sc(C)nc2C)c(Cl)cc1C(=O)[O-] ZINC000531781484 564920266 /nfs/dbraw/zinc/92/02/66/564920266.db2.gz NJJCTAINGATQRO-UHFFFAOYSA-N -2 0 376.843 2.921 20 0 GFADRL COC(=O)c1csc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)c1 ZINC000531854069 564922135 /nfs/dbraw/zinc/92/21/35/564922135.db2.gz HSKHTXQUCOIUBO-UHFFFAOYSA-N -2 0 381.431 2.522 20 0 GFADRL CCc1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)cn1 ZINC000533169811 564956157 /nfs/dbraw/zinc/95/61/57/564956157.db2.gz FOKCMAIGNWUEOI-UHFFFAOYSA-N -2 0 375.328 2.557 20 0 GFADRL C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])cc3O)cc(Cl)c2O1 ZINC000467753438 564971073 /nfs/dbraw/zinc/97/10/73/564971073.db2.gz PWZGTLHQWXKNCB-QMMMGPOBSA-N -2 0 383.809 2.868 20 0 GFADRL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1cccc2[nH]c(=O)[nH]c21 ZINC000685902841 565130174 /nfs/dbraw/zinc/13/01/74/565130174.db2.gz OIUYBWWMURASFZ-UHFFFAOYSA-N -2 0 381.797 2.729 20 0 GFADRL CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])s1 ZINC000617467869 565241590 /nfs/dbraw/zinc/24/15/90/565241590.db2.gz KBMFOHCMKUGEOW-MRVPVSSYSA-N -2 0 386.426 2.583 20 0 GFADRL CO[C@@H](CS(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1OC(F)(F)F)C(C)C ZINC000647130851 565640062 /nfs/dbraw/zinc/64/00/62/565640062.db2.gz NRGNGJBRWKDMCS-LBPRGKRZSA-N -2 0 385.360 2.696 20 0 GFADRL COc1ccccc1C[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000738125898 599704173 /nfs/dbraw/zinc/70/41/73/599704173.db2.gz MYQRUCJMAHOBEV-NSHDSACASA-N -2 0 397.474 2.529 20 0 GFADRL CC1=C(C(=O)[O-])[C@H](c2ccc(OC(F)(F)C(=O)[O-])cc2)NC(=O)N1CC1CC1 ZINC000736752611 599735281 /nfs/dbraw/zinc/73/52/81/599735281.db2.gz YBEOOLUJPHKGNL-AWEZNQCLSA-N -2 0 396.346 2.578 20 0 GFADRL O=C([O-])Cn1ccc([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)n1 ZINC000739920479 599739862 /nfs/dbraw/zinc/73/98/62/599739862.db2.gz PDLZWUZBVWSPNM-UHFFFAOYSA-N -2 0 384.628 2.729 20 0 GFADRL Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)[O-])ccc1OCCCC(=O)[O-] ZINC000541807177 599768753 /nfs/dbraw/zinc/76/87/53/599768753.db2.gz DDYGSNKWIYFCJS-UHFFFAOYSA-N -2 0 393.417 2.738 20 0 GFADRL CCCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)OC)sc1C(=O)[O-] ZINC000737050480 599813230 /nfs/dbraw/zinc/81/32/30/599813230.db2.gz MKCWXVZPFWFUMU-UHFFFAOYSA-N -2 0 383.447 2.986 20 0 GFADRL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2[nH]c(C)cc2c1 ZINC000737719160 599814910 /nfs/dbraw/zinc/81/49/10/599814910.db2.gz WAZCHJOPPPUSNX-UHFFFAOYSA-N -2 0 394.430 2.823 20 0 GFADRL CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])s1 ZINC000067660017 599851473 /nfs/dbraw/zinc/85/14/73/599851473.db2.gz TVRCLJLAZHBHKI-QMMMGPOBSA-N -2 0 386.426 2.583 20 0 GFADRL COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1cc(C)c(C(=O)[O-])s1 ZINC000738039731 599876446 /nfs/dbraw/zinc/87/64/46/599876446.db2.gz NCIAWERVRCNMHR-UHFFFAOYSA-N -2 0 384.435 2.523 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)C[C@@H]2CCCc3ccccc32)s1 ZINC000739222207 599884810 /nfs/dbraw/zinc/88/48/10/599884810.db2.gz IMOANPJYXYNDEV-LBPRGKRZSA-N -2 0 379.459 2.761 20 0 GFADRL O=C([O-])CSCc1cccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000739873547 599927114 /nfs/dbraw/zinc/92/71/14/599927114.db2.gz FJUSNGFHDXPJBW-UHFFFAOYSA-N -2 0 381.431 2.503 20 0 GFADRL O=C([O-])CCOc1ccc(NC(=O)CC2(C(=O)[O-])Cc3ccccc3C2)cc1 ZINC000739738937 599941949 /nfs/dbraw/zinc/94/19/49/599941949.db2.gz BJSMZFALNJFZBA-UHFFFAOYSA-N -2 0 383.400 2.739 20 0 GFADRL O=C([O-])c1ccc(OCCNC(=O)c2cccc(Br)c2[O-])cc1 ZINC000740164324 599951168 /nfs/dbraw/zinc/95/11/68/599951168.db2.gz LKEALIRJSUMDDT-UHFFFAOYSA-N -2 0 380.194 2.662 20 0 GFADRL CC1=C(C(=O)[O-])[C@H](c2cc(F)c(F)c(F)c2)NC(=O)N1CCCCC(=O)[O-] ZINC000736747016 599988748 /nfs/dbraw/zinc/98/87/48/599988748.db2.gz QRDPMJWUVPYPLC-HNNXBMFYSA-N -2 0 386.326 2.784 20 0 GFADRL CC1=C(C(=O)[O-])[C@@H](c2ccc(O)c(Cl)c2)NC(=O)N1CCCCC(=O)[O-] ZINC000736752848 599989182 /nfs/dbraw/zinc/98/91/82/599989182.db2.gz YRMWRUQETDTBGP-OAHLLOKOSA-N -2 0 382.800 2.725 20 0 GFADRL CCc1nc([C@@H]2NC(=O)N(CCCCCC(=O)[O-])C(C)=C2C(=O)[O-])cs1 ZINC000737281507 599989425 /nfs/dbraw/zinc/98/94/25/599989425.db2.gz JZLRYQYTUHRAEN-HNNXBMFYSA-N -2 0 381.454 2.775 20 0 GFADRL CC1(C)Cc2nc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3)sc2C(=O)C1 ZINC000736725931 600051786 /nfs/dbraw/zinc/05/17/86/600051786.db2.gz CLFUWUAWAWTHRO-UHFFFAOYSA-N -2 0 380.447 2.797 20 0 GFADRL NC(=O)Nc1ccc([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])cc1 ZINC000739170943 600052943 /nfs/dbraw/zinc/05/29/43/600052943.db2.gz VHPULFXPXAWZQR-UHFFFAOYSA-N -2 0 391.430 2.891 20 0 GFADRL Cc1ccc(C(N)=O)cc1[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000738567627 600053065 /nfs/dbraw/zinc/05/30/65/600053065.db2.gz HDVVPTZVJXFGHG-UHFFFAOYSA-N -2 0 390.442 2.808 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)n(Cc2ccccc2)n1 ZINC000738463196 600054994 /nfs/dbraw/zinc/05/49/94/600054994.db2.gz CUESYQFCRQNCMF-UHFFFAOYSA-N -2 0 377.447 2.800 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2c3c(nn2-c2ccccc2)CCC3)s1 ZINC000740177141 600055501 /nfs/dbraw/zinc/05/55/01/600055501.db2.gz GLGHRCDWQYUITL-UHFFFAOYSA-N -2 0 389.458 2.922 20 0 GFADRL COc1ccc(OC(C)C)c([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)c1 ZINC000264525159 600057091 /nfs/dbraw/zinc/05/70/91/600057091.db2.gz QIFYFLXZASWCTR-UHFFFAOYSA-N -2 0 395.433 2.747 20 0 GFADRL O=C([O-])c1cccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])c1 ZINC000740227701 600058316 /nfs/dbraw/zinc/05/83/16/600058316.db2.gz QVOGZCKDLKJIBO-UHFFFAOYSA-N -2 0 389.307 2.903 20 0 GFADRL CC(C)CNC(=O)c1ccc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])cc1 ZINC000736440603 600097193 /nfs/dbraw/zinc/09/71/93/600097193.db2.gz QQPJKBNJVUPIBR-UHFFFAOYSA-N -2 0 394.424 2.711 20 0 GFADRL CC(C)Oc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000066586229 600099120 /nfs/dbraw/zinc/09/91/20/600099120.db2.gz WSTGWPBGFMXUKB-UHFFFAOYSA-N -2 0 383.397 2.877 20 0 GFADRL CCc1cccc2c(CC(=O)[N-]S(=O)(=O)c3ccsc3C(=O)[O-])c[nH]c21 ZINC000737269368 600099301 /nfs/dbraw/zinc/09/93/01/600099301.db2.gz BLTNUQHIUZNQDS-UHFFFAOYSA-N -2 0 392.458 2.538 20 0 GFADRL C[C@@H]1CN(c2ccccc2[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)C[C@@H](C)O1 ZINC000736822924 600104767 /nfs/dbraw/zinc/10/47/67/600104767.db2.gz FKJCBADTPQDFKP-VXGBXAGGSA-N -2 0 396.490 2.861 20 0 GFADRL Cc1oc(C)c(S(=O)(=O)[N-]c2nc3cc(Cl)ccc3n2C)c1C(=O)[O-] ZINC000738969629 600127381 /nfs/dbraw/zinc/12/73/81/600127381.db2.gz NRAASLGNEDNIFT-UHFFFAOYSA-N -2 0 383.813 2.936 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3oc(=O)ccc3c2)c(F)cc1F ZINC000740090166 600234387 /nfs/dbraw/zinc/23/43/87/600234387.db2.gz VWWVRHZPRIBIQH-UHFFFAOYSA-N -2 0 381.312 2.570 20 0 GFADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000738291430 600301247 /nfs/dbraw/zinc/30/12/47/600301247.db2.gz RVJKZVGKFNNMPU-UHFFFAOYSA-N -2 0 396.396 2.743 20 0 GFADRL C/C(=C/C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)c1cccc(F)c1 ZINC000736119813 600421270 /nfs/dbraw/zinc/42/12/70/600421270.db2.gz CIWDRBQDDAFORQ-XFXZXTDPSA-N -2 0 377.393 2.573 20 0 GFADRL CC[C@@H](Sc1ccccc1)C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000736927896 600421697 /nfs/dbraw/zinc/42/16/97/600421697.db2.gz GOLLBXUAKQWHEZ-OAHLLOKOSA-N -2 0 379.459 2.761 20 0 GFADRL C[C@@H](c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1)N1CCOCC1 ZINC000736716265 600423470 /nfs/dbraw/zinc/42/34/70/600423470.db2.gz DWCBLBAJNZJGBQ-LBPRGKRZSA-N -2 0 396.490 2.640 20 0 GFADRL O=C([O-])c1ccncc1[N-]S(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000740248538 600515295 /nfs/dbraw/zinc/51/52/95/600515295.db2.gz DERYTYYTGJRVBE-UHFFFAOYSA-N -2 0 376.312 2.522 20 0 GFADRL Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(OCCC(=O)[O-])cc1 ZINC000556775800 600611857 /nfs/dbraw/zinc/61/18/57/600611857.db2.gz PMIUQCCPQWAJMH-UHFFFAOYSA-N -2 0 381.454 2.735 20 0 GFADRL CCOc1cc2c(cc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1)O[C@H](C)C2 ZINC000481952609 600625626 /nfs/dbraw/zinc/62/56/26/600625626.db2.gz AAIMDNQACNLWEJ-GFCCVEGCSA-N -2 0 391.445 2.837 20 0 GFADRL COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)cc(C(=O)[O-])c1 ZINC000327437828 600635922 /nfs/dbraw/zinc/63/59/22/600635922.db2.gz GAWTUJVMHARORX-UHFFFAOYSA-N -2 0 386.769 2.756 20 0 GFADRL CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1 ZINC000736232919 600678675 /nfs/dbraw/zinc/67/86/75/600678675.db2.gz SAWCXGWZDQZPAY-UHFFFAOYSA-N -3 0 381.381 2.687 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2NC(=O)c2cccs2)c[nH]1 ZINC000523288158 600679736 /nfs/dbraw/zinc/67/97/36/600679736.db2.gz ANACYGUQIBQPLL-UHFFFAOYSA-N -2 0 391.430 2.828 20 0 GFADRL COC(=O)c1ccc([N-]S(=O)(=O)c2cccc3cccnc32)cc1C(=O)[O-] ZINC000831435040 600688265 /nfs/dbraw/zinc/68/82/65/600688265.db2.gz LVNAILZNEXOTRP-UHFFFAOYSA-N -2 0 386.385 2.520 20 0 GFADRL CCOCCCN(C[C@@H](C)C(=O)[O-])C(=O)c1cccc(Br)c1[O-] ZINC000830000159 600722564 /nfs/dbraw/zinc/72/25/64/600722564.db2.gz CVQHNFILUHSUOC-LLVKDONJSA-N -2 0 388.258 2.744 20 0 GFADRL Cc1ccc(S(=O)(=O)N2CCCc3cc(C(=O)[O-])ccc32)cc1C(=O)[O-] ZINC000060376803 600813609 /nfs/dbraw/zinc/81/36/09/600813609.db2.gz ZNDIQTKWAWJCAN-UHFFFAOYSA-N -2 0 375.402 2.533 20 0 GFADRL Cn1cc(S(=O)(=O)[N-]c2cccc(C(=O)c3ccccc3)c2)cc1C(=O)[O-] ZINC000509624740 600814528 /nfs/dbraw/zinc/81/45/28/600814528.db2.gz YCMPQPITZXKZMH-UHFFFAOYSA-N -2 0 384.413 2.755 20 0 GFADRL CC1CCN(c2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])n(C)c3)c2)CC1 ZINC000828301885 600829228 /nfs/dbraw/zinc/82/92/28/600829228.db2.gz AXPJOWAZLSNHTA-UHFFFAOYSA-N -2 0 377.466 2.760 20 0 GFADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c1OC ZINC000467330156 600898826 /nfs/dbraw/zinc/89/88/26/600898826.db2.gz NVTVBVPATXBUAX-UHFFFAOYSA-N -2 0 377.418 2.692 20 0 GFADRL COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000610111285 600899380 /nfs/dbraw/zinc/89/93/80/600899380.db2.gz NSEKJQAPTOEKCS-UHFFFAOYSA-N -2 0 391.445 2.945 20 0 GFADRL CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000829009280 600938058 /nfs/dbraw/zinc/93/80/58/600938058.db2.gz APZYKGTXVWDDDA-SRVKXCTJSA-N -2 0 389.495 2.625 20 0 GFADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000833348328 600938772 /nfs/dbraw/zinc/93/87/72/600938772.db2.gz SYWOHWCPGYOCJI-FZKQIMNGSA-N -2 0 391.470 2.545 20 0 GFADRL C[C@H](C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1)c1ccco1 ZINC000826007790 600944283 /nfs/dbraw/zinc/94/42/83/600944283.db2.gz AISZXQAMTOUGIF-QMMMGPOBSA-N -2 0 391.323 2.605 20 0 GFADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)N(CCC(=O)[O-])c1cccc(F)c1 ZINC000738290402 601118197 /nfs/dbraw/zinc/11/81/97/601118197.db2.gz BLHQSWYECPZKAH-UHFFFAOYSA-N -2 0 399.371 2.641 20 0 GFADRL C[C@H](C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)c1ccc(Cl)s1 ZINC000826008777 601142058 /nfs/dbraw/zinc/14/20/58/601142058.db2.gz NIBJCVFRWAUMPF-VIFPVBQESA-N -2 0 387.866 2.849 20 0 GFADRL CCn1ncc2ccc([N-]S(=O)(=O)c3sc(C(=O)[O-])cc3OC)cc21 ZINC000830451718 601203406 /nfs/dbraw/zinc/20/34/06/601203406.db2.gz MZPQJKKRZSQUSW-UHFFFAOYSA-N -2 0 381.435 2.625 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2cc(F)c(N3CCCC3)c(F)c2)cc1C(=O)[O-] ZINC000833026439 601230496 /nfs/dbraw/zinc/23/04/96/601230496.db2.gz BXDVFGGFVBKZBW-UHFFFAOYSA-N -2 0 386.376 2.965 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2ccc(-c3cn4cccnc4n3)cc2)cc1C(=O)[O-] ZINC000833030460 601230788 /nfs/dbraw/zinc/23/07/88/601230788.db2.gz XQLZJKDKXCKQOC-UHFFFAOYSA-N -2 0 398.400 2.797 20 0 GFADRL CCOC(=O)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)ccc1Cl ZINC000829878378 601232642 /nfs/dbraw/zinc/23/26/42/601232642.db2.gz WIFYYOLZEVDQBP-UHFFFAOYSA-N -2 0 387.797 2.917 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2cc3ccccc3cc2C(=O)[O-])cc1C(=O)[O-] ZINC000833029377 601233335 /nfs/dbraw/zinc/23/33/35/601233335.db2.gz HKUNWIUBPGLCMZ-UHFFFAOYSA-N -3 0 375.358 2.938 20 0 GFADRL CCc1ccc(O)c([N-]S(=O)(=O)c2sc(C(=O)[O-])c(C)c2C(=O)OC)c1 ZINC000830253628 601250944 /nfs/dbraw/zinc/25/09/44/601250944.db2.gz IUUVJJBHGWHRCR-UHFFFAOYSA-N -2 0 399.446 2.610 20 0 GFADRL O=C([O-])CSCc1cccc(NC(=O)CSc2n[n-]c(=S)s2)c1 ZINC000833264043 601282742 /nfs/dbraw/zinc/28/27/42/601282742.db2.gz WFPSGTXINPIXCM-UHFFFAOYSA-N -2 0 387.533 2.875 20 0 GFADRL COCCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000048382762 601324832 /nfs/dbraw/zinc/32/48/32/601324832.db2.gz AOGGPYUHTUIFDZ-UHFFFAOYSA-N -2 0 383.397 2.658 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC2CCCC2)nc1 ZINC000588833199 601328573 /nfs/dbraw/zinc/32/85/73/601328573.db2.gz VPHMMUUPOVYTCS-UHFFFAOYSA-N -2 0 392.433 2.911 20 0 GFADRL C/C(=C/COC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1)C(=O)[O-] ZINC000825780857 601418252 /nfs/dbraw/zinc/41/82/52/601418252.db2.gz JYPYCXFUZOTWRB-XFFZJAGNSA-N -2 0 381.431 2.737 20 0 GFADRL Cc1ccc(NC(=O)C(C)(C)C)cc1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000832942130 601484307 /nfs/dbraw/zinc/48/43/07/601484307.db2.gz CPAXACMQYKYATL-UHFFFAOYSA-N -2 0 397.478 2.935 20 0 GFADRL COc1cc(OC)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1F ZINC000755978265 601489261 /nfs/dbraw/zinc/48/92/61/601489261.db2.gz IGRXVQCMJFPJEG-UHFFFAOYSA-N -2 0 389.788 2.995 20 0 GFADRL CCC(CC)c1nnc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)s1 ZINC000828869633 601501700 /nfs/dbraw/zinc/50/17/00/601501700.db2.gz CFVIWNRDNFRSQP-UHFFFAOYSA-N -2 0 385.467 2.949 20 0 GFADRL Cc1cccc(S(=O)(=O)[N-]c2nnc(Cc3ccccc3)s2)c1C(=O)[O-] ZINC000832973013 601502817 /nfs/dbraw/zinc/50/28/17/601502817.db2.gz SVTVBWVKXHAUGM-UHFFFAOYSA-N -2 0 389.458 2.936 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2nnc(Cc3cccc(F)c3)s2)cc1 ZINC000833324182 601503929 /nfs/dbraw/zinc/50/39/29/601503929.db2.gz KPGGQOOKSCLUQU-UHFFFAOYSA-N -2 0 393.421 2.767 20 0 GFADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N(CCC(=O)[O-])Cc2ccncc2)n1 ZINC000832889722 601514653 /nfs/dbraw/zinc/51/46/53/601514653.db2.gz NGAMTUPAXKPAGX-UHFFFAOYSA-N -2 0 398.394 2.538 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC(C)C)ccc1C(=O)[O-] ZINC000507955249 601574907 /nfs/dbraw/zinc/57/49/07/601574907.db2.gz ZUCFSESLEQRKGZ-UHFFFAOYSA-N -3 0 393.417 2.979 20 0 GFADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000829528350 601575976 /nfs/dbraw/zinc/57/59/76/601575976.db2.gz VZRAQSVWVAFKPQ-UHFFFAOYSA-N -3 0 385.419 2.734 20 0 GFADRL Cc1nc(CC(C)C)c(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)s1 ZINC000832998792 601598612 /nfs/dbraw/zinc/59/86/12/601598612.db2.gz NHMVHHPYIDMRDL-UHFFFAOYSA-N -2 0 388.492 2.528 20 0 GFADRL COc1ccccc1-c1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)n[nH]1 ZINC000675094064 601604102 /nfs/dbraw/zinc/60/41/02/601604102.db2.gz KAANVYVIJLWDOH-UHFFFAOYSA-N -2 0 387.417 2.893 20 0 GFADRL COc1ccc(Cl)cc1-c1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)n[nH]1 ZINC000832362483 601605413 /nfs/dbraw/zinc/60/54/13/601605413.db2.gz KCFHBRDJPPHZQA-UHFFFAOYSA-N -2 0 397.796 2.831 20 0 GFADRL O=C([O-])CCN(Cc1ccccc1)C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000833233661 601756117 /nfs/dbraw/zinc/75/61/17/601756117.db2.gz INZUEABFVNVNPX-UHFFFAOYSA-N -2 0 383.379 2.834 20 0 GFADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1cc(CCc2ccccc2)ccn1 ZINC000833345412 601769446 /nfs/dbraw/zinc/76/94/46/601769446.db2.gz SDCFITHAROUHRM-UHFFFAOYSA-N -2 0 389.458 2.822 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2c(-c3ccccn3)nc3ccccn32)cc1C(=O)[O-] ZINC000833027808 601770246 /nfs/dbraw/zinc/77/02/46/601770246.db2.gz XPQHNSOTSOWDAU-UHFFFAOYSA-N -2 0 398.400 2.797 20 0 GFADRL CCOC(=O)c1cccc(S(=O)(=O)[N-]c2nc(CCCC(=O)[O-])cs2)c1 ZINC000829885072 601770849 /nfs/dbraw/zinc/77/08/49/601770849.db2.gz CAOAFULSFRHVQI-UHFFFAOYSA-N -2 0 398.462 2.528 20 0 GFADRL CC(=O)Nc1cc(S(=O)(=O)[N-]c2nc(CCCC(=O)[O-])cs2)ccc1C ZINC000825890275 601771066 /nfs/dbraw/zinc/77/10/66/601771066.db2.gz HBPLSKSBOPMEDP-UHFFFAOYSA-N -2 0 397.478 2.618 20 0 GFADRL Cc1ccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])c(OC[C@@H]2CCCO2)c1 ZINC000832950114 601837722 /nfs/dbraw/zinc/83/77/22/601837722.db2.gz BHKJGDXMIZDFQT-NSHDSACASA-N -2 0 398.462 2.508 20 0 GFADRL CCCCN1Cc2cccc([N-]S(=O)(=O)c3csnc3C(=O)[O-])c2C1 ZINC000829396644 601840013 /nfs/dbraw/zinc/84/00/13/601840013.db2.gz SCOXBNFVXZEHCX-UHFFFAOYSA-N -2 0 381.479 2.758 20 0 GFADRL CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)c1C ZINC000547560501 601928654 /nfs/dbraw/zinc/92/86/54/601928654.db2.gz NLYKBLDVHUGZTH-UHFFFAOYSA-N -2 0 380.422 2.616 20 0 GFADRL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1nnc(-c2ccsc2)s1 ZINC000833293516 602103911 /nfs/dbraw/zinc/10/39/11/602103911.db2.gz ADMCUQXTHKLAEP-UHFFFAOYSA-N -2 0 385.423 2.905 20 0 GFADRL Cc1cc(S(=O)(=O)Nc2ccc(CNC(=O)[O-])cc2)cc(C(=O)[O-])c1C ZINC000832904495 602114659 /nfs/dbraw/zinc/11/46/59/602114659.db2.gz PMIVKBHZKYMPTE-UHFFFAOYSA-N -2 0 378.406 2.570 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cs2)ccc1Cl ZINC000831348512 602115644 /nfs/dbraw/zinc/11/56/44/602115644.db2.gz WOHCPJQGZRBULL-UHFFFAOYSA-N -2 0 375.811 2.687 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Br)nc2)ccc1Cl ZINC000222059416 602156364 /nfs/dbraw/zinc/15/63/64/602156364.db2.gz ZGYSNMBAUFIWCJ-UHFFFAOYSA-N -2 0 391.630 2.997 20 0 GFADRL COc1cc(F)c(S(=O)(=O)[N-]c2ccc(OC)c(NC(=O)[O-])c2)c(F)c1 ZINC000739866228 602289868 /nfs/dbraw/zinc/28/98/68/602289868.db2.gz FPXZQQPBNXGQFX-UHFFFAOYSA-N -2 0 388.348 2.873 20 0 GFADRL COc1cc(F)c(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])c(OC)c2)c(F)c1 ZINC000739868544 602289910 /nfs/dbraw/zinc/28/99/10/602289910.db2.gz YQNRIBFIAKMPEN-UHFFFAOYSA-N -2 0 388.348 2.873 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2nnc(-c3ccccn3)s2)ccc1Cl ZINC000833306493 602307259 /nfs/dbraw/zinc/30/72/59/602307259.db2.gz YMZRUMSFGXJMOG-UHFFFAOYSA-N -2 0 396.837 2.753 20 0 GFADRL Cc1ccn(-c2ccccc2[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)n1 ZINC000759172165 602309439 /nfs/dbraw/zinc/30/94/39/602309439.db2.gz RCRRHYGCSIVACE-UHFFFAOYSA-N -2 0 375.381 2.819 20 0 GFADRL Cn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c(-c2ccccn2)n1 ZINC000833050756 602309643 /nfs/dbraw/zinc/30/96/43/602309643.db2.gz LIFOUXNBYSQAPP-UHFFFAOYSA-N -2 0 392.824 2.635 20 0 GFADRL CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)[O-] ZINC000739722190 602367386 /nfs/dbraw/zinc/36/73/86/602367386.db2.gz HEIKUSWDLUWCLO-WXHSDQCUSA-N -2 0 390.465 2.666 20 0 GFADRL C[C@](CC(=O)N[C@H](CNC(=O)[O-])C1CCCCC1)(C(=O)[O-])c1ccccc1 ZINC000738895508 602570459 /nfs/dbraw/zinc/57/04/59/602570459.db2.gz NGWXOXGIYRVOEC-OXQOHEQNSA-N -2 0 376.453 2.752 20 0 GFADRL O=C([O-])Nc1ccc(OC(=O)CCn2c(=O)c3ccccc3[n-]c2=S)cc1 ZINC000738669365 602961425 /nfs/dbraw/zinc/96/14/25/602961425.db2.gz KWWHMNFAEATJCT-UHFFFAOYSA-N -2 0 385.401 2.771 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2ccc([C@@H](C)NC(=O)[O-])cc2)sc1C(=O)[O-] ZINC000830138414 603404182 /nfs/dbraw/zinc/40/41/82/603404182.db2.gz UDVKDMMWZQYTIH-SECBINFHSA-N -3 0 384.435 2.884 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]C(=O)Cc2ccc(NC(=O)[O-])cc2)cc1Cl ZINC000830416048 603437985 /nfs/dbraw/zinc/43/79/85/603437985.db2.gz YSFIXSKBTIJHFQ-UHFFFAOYSA-N -2 0 382.825 2.786 20 0 GFADRL C[C@H]1CN(C(=O)c2cc(Br)cc(Cl)c2[O-])CC[C@H]1NC(=O)[O-] ZINC000826033821 603545209 /nfs/dbraw/zinc/54/52/09/603545209.db2.gz BRFYOXSMGREPGU-WRWORJQWSA-N -2 0 391.649 2.926 20 0 GFADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000829971441 603838155 /nfs/dbraw/zinc/83/81/55/603838155.db2.gz MBVZEKKYIRATCW-NSHDSACASA-N -2 0 378.406 2.823 20 0 GFADRL O=C([O-])N[C@H]1CCCN(C(=O)c2cc(Cl)cc(Br)c2[O-])C1 ZINC000832365254 603838494 /nfs/dbraw/zinc/83/84/94/603838494.db2.gz ICRJBBZPQMTRIU-QMMMGPOBSA-N -2 0 377.622 2.680 20 0 GFADRL COc1cc(F)c(S(=O)(=O)[N-]c2cccc3c2CCN3C(=O)[O-])c(F)c1 ZINC000829142645 604014563 /nfs/dbraw/zinc/01/45/63/604014563.db2.gz SNSFYRNPLSGFPZ-UHFFFAOYSA-N -2 0 384.360 2.815 20 0 GFADRL O=C([O-])NC1CCC(NC(=O)NCc2ccc(O)c(Br)c2)CC1 ZINC000832312459 604276646 /nfs/dbraw/zinc/27/66/46/604276646.db2.gz DBPKYXDFYXDLAS-UHFFFAOYSA-N -2 0 386.246 2.533 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2nnc(-c3ccccc3Cl)s2)o1 ZINC000833323923 604403470 /nfs/dbraw/zinc/40/34/70/604403470.db2.gz CJWVPOAZBKFBKX-UHFFFAOYSA-N -2 0 385.810 2.951 20 0 GFADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Br)cc2F)cn1 ZINC000832952811 604404606 /nfs/dbraw/zinc/40/46/06/604404606.db2.gz BKGDBJBJDAEZKJ-UHFFFAOYSA-N -2 0 389.202 2.791 20 0 GFADRL Cn1cc(S(=O)(=O)[N-]c2ccc3c(c2)ncn3-c2ccccc2)cc1C(=O)[O-] ZINC000833055554 604405369 /nfs/dbraw/zinc/40/53/69/604405369.db2.gz WWLVWULWSFKGKA-UHFFFAOYSA-N -2 0 396.428 2.863 20 0 GFADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCCC2)cc1C ZINC000266819681 604503016 /nfs/dbraw/zinc/50/30/16/604503016.db2.gz YTFOBSNDBMCBAZ-UHFFFAOYSA-N -2 0 392.433 2.631 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])c2cccnc12 ZINC000832419642 604622107 /nfs/dbraw/zinc/62/21/07/604622107.db2.gz VFKNFQZUIRNHDL-UHFFFAOYSA-N -2 0 376.365 2.882 20 0 GFADRL CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2nc(C3CC3)c(C(=O)[O-])s2)cc1 ZINC000833388726 604758448 /nfs/dbraw/zinc/75/84/48/604758448.db2.gz XLLFBTRPSGFVNB-UHFFFAOYSA-N -2 0 395.462 2.502 20 0 GFADRL CCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000829740988 604769495 /nfs/dbraw/zinc/76/94/95/604769495.db2.gz WOXRZVCKDFLIAU-UHFFFAOYSA-N -2 0 383.809 2.952 20 0 GFADRL O=C([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(-c2cccnc2)[nH]n1 ZINC000833317912 604773869 /nfs/dbraw/zinc/77/38/69/604773869.db2.gz PFYNZXWKUSOPGX-UHFFFAOYSA-N -2 0 378.797 2.624 20 0 GFADRL O=C([O-])c1nscc1[N-]S(=O)(=O)c1ccc2nc(Cl)sc2c1 ZINC000833346612 604777223 /nfs/dbraw/zinc/77/72/23/604777223.db2.gz LULLZWLHLHKKMU-UHFFFAOYSA-N -2 0 375.840 2.905 20 0 GFADRL CCc1nc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)sc1C(=O)OC ZINC000833675418 604991465 /nfs/dbraw/zinc/99/14/65/604991465.db2.gz OFUFXZFKIQIZKQ-UHFFFAOYSA-N -2 0 398.462 2.608 20 0 GFADRL CCn1c(=O)c2ccc(C(=O)O[C@H](CC(C)(C)C)C(=O)[O-])cc2[n-]c1=S ZINC000833683292 605236987 /nfs/dbraw/zinc/23/69/87/605236987.db2.gz HNROXTLJEJYPOT-CYBMUJFWSA-N -2 0 378.450 2.751 20 0 GFADRL COc1cc(OC)cc(S(=O)(=O)[N-]c2cccc3c2CCN(C(=O)[O-])C3)c1 ZINC000829217514 605237722 /nfs/dbraw/zinc/23/77/22/605237722.db2.gz UACDCTHHGGGQPH-UHFFFAOYSA-N -2 0 392.433 2.541 20 0 GFADRL CC(C)N1CCc2nc([N-]S(=O)(=O)Cc3cccc(C(=O)[O-])c3)sc2C1 ZINC000833502201 605343438 /nfs/dbraw/zinc/34/34/38/605343438.db2.gz OUUZBASUQWSGKX-UHFFFAOYSA-N -2 0 395.506 2.550 20 0 GFADRL O=C([O-])Cc1cccc(NC(=O)C2(c3ccccc3)CCN(C(=O)[O-])CC2)c1 ZINC000834066087 606066330 /nfs/dbraw/zinc/06/63/30/606066330.db2.gz QESZCJHIBNDIEX-UHFFFAOYSA-N -2 0 382.416 2.964 20 0 GFADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N2CCSCC2)cc1 ZINC000266774871 654893385 /nfs/dbraw/zinc/89/33/85/654893385.db2.gz LAIXRUZTMAIRGG-UHFFFAOYSA-N -2 0 382.463 2.640 20 0 GFADRL Cc1ccc([N-]S(=O)(=O)c2ncn(C)c2Cl)c(SCCC(=O)[O-])c1 ZINC000274878302 655205725 /nfs/dbraw/zinc/20/57/25/655205725.db2.gz CAVXCVZFWJGLRG-UHFFFAOYSA-N -2 0 389.886 2.750 20 0 GFADRL CC(C)n1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(F)(F)F)c2)cn1 ZINC000120316908 655334877 /nfs/dbraw/zinc/33/48/77/655334877.db2.gz JXMSQPYGJQSPMO-UHFFFAOYSA-N -2 0 377.344 2.982 20 0 GFADRL COc1cc(F)c(S(=O)(=O)[N-]c2cc(F)c(C(=O)[O-])c(F)c2)c(F)c1 ZINC000743262656 655727535 /nfs/dbraw/zinc/72/75/35/655727535.db2.gz VSOXBBJTOJWOGU-UHFFFAOYSA-N -2 0 379.287 2.751 20 0 GFADRL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1cnc(Cl)c(C)c1 ZINC000755979443 655892266 /nfs/dbraw/zinc/89/22/66/655892266.db2.gz PBEAGEFXJMOFIN-UHFFFAOYSA-N -2 0 384.841 2.870 20 0 GFADRL Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000758169585 655925180 /nfs/dbraw/zinc/92/51/80/655925180.db2.gz JAIGUNAWMBKUTH-UHFFFAOYSA-N -2 0 383.735 2.947 20 0 GFADRL NC(=O)c1sccc1[N-]S(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000765099278 656131824 /nfs/dbraw/zinc/13/18/24/656131824.db2.gz OTLBPWQSFYVGDB-UHFFFAOYSA-N -2 0 395.245 2.653 20 0 GFADRL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2c(Cl)ccnc2Cl)c1 ZINC000777924401 656842892 /nfs/dbraw/zinc/84/28/92/656842892.db2.gz PUHRJIFYLRSXIC-UHFFFAOYSA-N -2 0 377.205 2.896 20 0 GFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1O ZINC000783831862 657264410 /nfs/dbraw/zinc/26/44/10/657264410.db2.gz BSNPFOUXYSWRGR-UHFFFAOYSA-N -2 0 383.250 2.587 20 0 GFADRL Cc1onc(OC(F)F)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C ZINC000788133348 657656106 /nfs/dbraw/zinc/65/61/06/657656106.db2.gz XCJZHBKUJAMMHZ-UHFFFAOYSA-N -2 0 376.337 2.700 20 0 GFADRL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-][C@H]2CCCC2(F)F)s1 ZINC000806567390 659835947 /nfs/dbraw/zinc/83/59/47/659835947.db2.gz WPJTYUIUWGHRIU-ZETCQYMHSA-N -2 0 390.227 2.675 20 0 GFADRL CC(C)(C)CC[C@H](NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1)C(=O)[O-] ZINC000856723073 662038476 /nfs/dbraw/zinc/03/84/76/662038476.db2.gz WBSLSSFPKDSVPK-LBPRGKRZSA-N -2 0 377.846 2.596 20 0 GFADRL O=C([O-])CC1(C(=O)[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CCC1 ZINC000863955234 662350976 /nfs/dbraw/zinc/35/09/76/662350976.db2.gz FMNJFEVQGHIVDZ-UHFFFAOYSA-N -2 0 399.774 2.809 20 0 GFADRL CC(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000863958417 662351274 /nfs/dbraw/zinc/35/12/74/662351274.db2.gz XVFJAJASFLUONP-SNVBAGLBSA-N -2 0 387.763 2.521 20 0 GFADRL O=C([O-])C1CC2(C1)C[C@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)CCS2 ZINC000899950247 663704044 /nfs/dbraw/zinc/70/40/44/663704044.db2.gz YOVJTQUTASAPQW-IXZKOCCXSA-N -2 0 395.424 2.511 20 0 GFADRL CC1(C)[C@H](CCC(=O)[O-])C[C@@H]1[N-]S(=O)(=O)c1occc1Br ZINC000917374864 664481869 /nfs/dbraw/zinc/48/18/69/664481869.db2.gz RZQAKFRAOYPQID-SCZZXKLOSA-N -2 0 380.260 2.600 20 0 GFADRL O=C([O-])C[C@H](NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1)c1ccccc1 ZINC000921206152 664539189 /nfs/dbraw/zinc/53/91/89/664539189.db2.gz VTUJCPXXNSWDQX-AWEZNQCLSA-N -2 0 383.809 2.533 20 0 GFADRL CCNC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000055633676 551173989 /nfs/dbraw/zinc/17/39/89/551173989.db2.gz NUXWVOTXWAIIEI-UHFFFAOYSA-N -2 0 382.825 2.589 20 0 GFADRL CSc1nc(C)c(CCC(=O)Nc2ccc(Br)cc2O)c(=O)[nH]1 ZINC000126000692 551325323 /nfs/dbraw/zinc/32/53/23/551325323.db2.gz JXFQRXWBYUABPX-UHFFFAOYSA-N -2 0 398.282 2.840 20 0 GFADRL O=C(NCCCF)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1[O-] ZINC000179856906 552205691 /nfs/dbraw/zinc/20/56/91/552205691.db2.gz WFKMSXDHRIHCDK-UHFFFAOYSA-N -2 0 386.832 2.936 20 0 GFADRL C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)c2cc(Br)cc(Cl)c2[O-])C1 ZINC000567269621 564364076 /nfs/dbraw/zinc/36/40/76/564364076.db2.gz PFVLSBQMWBFLOU-SFYZADRCSA-N -2 0 376.634 2.991 20 0 GFADRL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2ccccc2Br)c1 ZINC000316797093 563441678 /nfs/dbraw/zinc/44/16/78/563441678.db2.gz HGQLCDYMNAOPLW-UHFFFAOYSA-N -2 0 386.223 2.957 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)COC3)c(Br)c1 ZINC000324253036 563452364 /nfs/dbraw/zinc/45/23/64/563452364.db2.gz IGYJKSFOAJKYDN-UHFFFAOYSA-N -2 0 398.234 2.978 20 0 GFADRL O=C([O-])c1ccc([O-])c(S(=O)(=O)Nc2cc3c(cc2Cl)CCC3=O)c1 ZINC000436938013 563685944 /nfs/dbraw/zinc/68/59/44/563685944.db2.gz SEEZSRPDDLSYHF-UHFFFAOYSA-N -2 0 381.793 2.674 20 0 GFADRL C[C@H]1Cc2cc(S(=O)(=O)[N-]c3cccc(C(=O)[O-])c3O)cc(Cl)c2O1 ZINC000436994402 563687703 /nfs/dbraw/zinc/68/77/03/563687703.db2.gz MQBWLDBOUQIPAF-QMMMGPOBSA-N -2 0 383.809 2.868 20 0 GFADRL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000443357031 563802746 /nfs/dbraw/zinc/80/27/46/563802746.db2.gz DJNDEYJLRHHAGE-UHFFFAOYSA-N -3 0 385.419 2.733 20 0 GFADRL O=C([O-])c1ccc([O-])c(S(=O)(=O)Nc2c(F)cccc2Br)c1 ZINC000448128034 563894785 /nfs/dbraw/zinc/89/47/85/563894785.db2.gz KQUSJBIDEKHDHK-UHFFFAOYSA-N -2 0 390.186 2.793 20 0 GFADRL O=C([O-])c1ccc(OC(F)(F)F)c([N-]S(=O)(=O)C[C@H]2CCCCO2)c1 ZINC000471963516 564208741 /nfs/dbraw/zinc/20/87/41/564208741.db2.gz JEKRWCQNDWQMOP-SNVBAGLBSA-N -2 0 383.344 2.594 20 0 GFADRL COc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000507024900 564216402 /nfs/dbraw/zinc/21/64/02/564216402.db2.gz CNFWOQPOYMQSDE-UHFFFAOYSA-N -2 0 389.788 2.752 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2cc3c(cc2Cl)OCCO3)cc(C(=O)[O-])c1 ZINC000507563086 564232572 /nfs/dbraw/zinc/23/25/72/564232572.db2.gz GQCXFKOJWZUAFA-UHFFFAOYSA-N -2 0 383.809 2.919 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)cc(C(=O)[O-])c1 ZINC000507651451 564237025 /nfs/dbraw/zinc/23/70/25/564237025.db2.gz SQBGVVAXUXAGPC-UHFFFAOYSA-N -2 0 382.781 2.582 20 0 GFADRL Cc1cc(C)c(C(=O)[O-])c([N-]S(=O)(=O)c2cncc(Br)c2)c1 ZINC000507949088 564248753 /nfs/dbraw/zinc/24/87/53/564248753.db2.gz GAQVVPWLSAVWCV-UHFFFAOYSA-N -2 0 385.239 2.960 20 0 GFADRL CC(C)c1ncsc1[N-]S(=O)(=O)c1cc2c(c(C(=O)[O-])c1)OCCO2 ZINC000451102164 564274713 /nfs/dbraw/zinc/27/47/13/564274713.db2.gz IFSCTKNCSQCMPV-UHFFFAOYSA-N -2 0 384.435 2.537 20 0 GFADRL O=C([O-])c1ccccc1[N-]S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000541806341 564289715 /nfs/dbraw/zinc/28/97/15/564289715.db2.gz KJNUJICYFREWSM-UHFFFAOYSA-N -2 0 398.234 2.883 20 0 GFADRL Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc2c1OCCO2 ZINC000475747811 564318645 /nfs/dbraw/zinc/31/86/45/564318645.db2.gz KDIIFDSITOPZEN-UHFFFAOYSA-N -2 0 383.809 2.919 20 0 GFADRL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000476281162 564333399 /nfs/dbraw/zinc/33/33/99/564333399.db2.gz CUCQDSCQKLEQIL-UHFFFAOYSA-N -2 0 387.772 2.985 20 0 GFADRL COC(=O)c1csc(S(=O)(=O)[N-]c2ccc(C[C@@H](C)C(=O)[O-])cc2)c1 ZINC000543653211 564357443 /nfs/dbraw/zinc/35/74/43/564357443.db2.gz SJGMUSOSCUHCKO-SNVBAGLBSA-N -2 0 383.447 2.599 20 0 GFADRL COC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)[O-])c1 ZINC000544637903 564391607 /nfs/dbraw/zinc/39/16/07/564391607.db2.gz CDTNMKRZNOREPP-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL CCO[C@@H]1C[C@@]([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)(C(=O)[O-])C1(C)C ZINC000568000706 564399406 /nfs/dbraw/zinc/39/94/06/564399406.db2.gz AILURLOQQTUNDT-MEBBXXQBSA-N -2 0 397.827 2.555 20 0 GFADRL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000479392777 564439021 /nfs/dbraw/zinc/43/90/21/564439021.db2.gz PVMKUPYYPZEHIY-UHFFFAOYSA-N -2 0 387.772 2.985 20 0 GFADRL C[C@@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000547562904 564493936 /nfs/dbraw/zinc/49/39/36/564493936.db2.gz OQKULGZAUNYIKZ-ZETCQYMHSA-N -2 0 385.225 2.681 20 0 GFADRL O=C([O-])CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000570400676 564504627 /nfs/dbraw/zinc/50/46/27/564504627.db2.gz CKWLYYWUSMGLTJ-LDYMZIIASA-N -2 0 383.363 2.945 20 0 GFADRL O=C([O-])c1ccc(NS(=O)(=O)Cc2ccc(F)c(Cl)c2)cc1C(=O)[O-] ZINC000548196515 564534938 /nfs/dbraw/zinc/53/49/38/564534938.db2.gz MSTWCXWXNVKRHZ-UHFFFAOYSA-N -2 0 387.772 2.817 20 0 GFADRL O=C([O-])[C@H](C[N-]S(=O)(=O)c1c(F)cccc1F)Cc1cccc(Cl)c1 ZINC000548209778 564536729 /nfs/dbraw/zinc/53/67/29/564536729.db2.gz WSZIZBRVQYBQHR-NSHDSACASA-N -2 0 389.807 2.840 20 0 GFADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(F)F)nc1 ZINC000549934890 564610114 /nfs/dbraw/zinc/61/01/14/564610114.db2.gz LYRHIKBDEGKRQD-UHFFFAOYSA-N -2 0 376.312 2.630 20 0 GFADRL CCOc1ncccc1[N-]S(=O)(=O)c1cc(OC)c(C(=O)[O-])cc1Cl ZINC000485266177 564611519 /nfs/dbraw/zinc/61/15/19/564611519.db2.gz NESZYUASSVVYLJ-UHFFFAOYSA-N -2 0 386.813 2.641 20 0 GFADRL CCCc1nc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(F)c2)s1 ZINC000486126417 564640552 /nfs/dbraw/zinc/64/05/52/564640552.db2.gz TYTJSAUYELEQDU-UHFFFAOYSA-N -2 0 388.442 2.807 20 0 GFADRL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Br)c(O)c1 ZINC000552304773 564685515 /nfs/dbraw/zinc/68/55/15/564685515.db2.gz BFZFFJFWYNDDIM-UHFFFAOYSA-N -2 0 386.223 2.962 20 0 GFADRL COc1cc(OC)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cc1F ZINC000489585775 564744356 /nfs/dbraw/zinc/74/43/56/564744356.db2.gz QICNLWZGZFRRLS-UHFFFAOYSA-N -2 0 389.788 2.995 20 0 GFADRL Cc1ccc(F)c(NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c1C(=O)[O-] ZINC000534880507 564999212 /nfs/dbraw/zinc/99/92/12/564999212.db2.gz OJLKLCOHFGYIOG-UHFFFAOYSA-N -2 0 387.772 2.985 20 0 GFADRL COc1cc([N-]S(=O)(=O)c2ccsc2)c(C(=O)[O-])cc1OC(F)F ZINC000504681540 565042895 /nfs/dbraw/zinc/04/28/95/565042895.db2.gz ZWODSGWKXXUGEQ-UHFFFAOYSA-N -2 0 379.362 2.857 20 0 GFADRL Cc1nn(C)c(S(=O)(=O)[N-]c2cc(F)c(C)cc2C(=O)[O-])c1C(F)F ZINC000584517008 565085519 /nfs/dbraw/zinc/08/55/19/565085519.db2.gz JRJYHYITXICTBK-UHFFFAOYSA-N -2 0 377.344 2.613 20 0 GFADRL O=C([O-])CC[C@H](C[N-]S(=O)(=O)c1c(F)cccc1Cl)C(F)(F)F ZINC000663293965 565407978 /nfs/dbraw/zinc/40/79/78/565407978.db2.gz NPEDHRAAFPLWPL-SSDOTTSWSA-N -2 0 377.743 2.801 20 0 GFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc3c(cc2Cl)OCCO3)cc1F ZINC000677234791 565965143 /nfs/dbraw/zinc/96/51/43/565965143.db2.gz LCFQWKAPFMYLJN-UHFFFAOYSA-N -2 0 387.772 2.749 20 0 GFADRL COc1cc(C(F)(F)F)ncc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000682875084 566174837 /nfs/dbraw/zinc/17/48/37/566174837.db2.gz FJAODTKABUBCRZ-UHFFFAOYSA-N -2 0 382.341 2.670 20 0 GFADRL C[C@@H](C(=O)[O-])N(C)C(=O)c1nn(-c2ccc(Cl)cc2C(F)(F)F)cc1[O-] ZINC000817769085 596934921 /nfs/dbraw/zinc/93/49/21/596934921.db2.gz XEPWFVYHVVQCOG-ZETCQYMHSA-N -2 0 391.733 2.795 20 0 GFADRL CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)c2ccccc12 ZINC000736493861 599738823 /nfs/dbraw/zinc/73/88/23/599738823.db2.gz DDRRYOCHDCXXRA-UHFFFAOYSA-N -2 0 389.433 2.709 20 0 GFADRL C[C@@H](CNC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccccc1)C(=O)[O-] ZINC000736600627 599766471 /nfs/dbraw/zinc/76/64/71/599766471.db2.gz WAXZWCGERKEEMC-NSHDSACASA-N -2 0 396.852 2.591 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2cc3c(cc2Cl)OCCO3)sc1C(=O)[O-] ZINC000738240585 599926577 /nfs/dbraw/zinc/92/65/77/599926577.db2.gz QJFFJYVLHAMKFT-UHFFFAOYSA-N -2 0 389.838 2.980 20 0 GFADRL Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC000738873607 599982857 /nfs/dbraw/zinc/98/28/57/599982857.db2.gz YKEJPDYJZWLGBQ-UHFFFAOYSA-N -2 0 398.419 2.718 20 0 GFADRL Cc1nc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)sc1C(=O)[O-] ZINC000738364859 600054598 /nfs/dbraw/zinc/05/45/98/600054598.db2.gz XNQAMNXQOSPUIX-UHFFFAOYSA-N -2 0 382.341 2.849 20 0 GFADRL COc1ccccc1[C@@H](C)CC(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000738120198 600056785 /nfs/dbraw/zinc/05/67/85/600056785.db2.gz KQCNZCMQJXFELD-ZDUSSCGKSA-N -2 0 391.445 2.533 20 0 GFADRL O=C([O-])c1ccc(Cl)cc1S(=O)(=O)Nc1cc(F)c(F)cc1C(=O)[O-] ZINC000740075901 600069527 /nfs/dbraw/zinc/06/95/27/600069527.db2.gz RAOKNVCEKMYYHR-UHFFFAOYSA-N -2 0 391.735 2.815 20 0 GFADRL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1-n1cncn1 ZINC000740143150 600095157 /nfs/dbraw/zinc/09/51/57/600095157.db2.gz DXKZQBUTWBGDPK-UHFFFAOYSA-N -2 0 396.787 2.559 20 0 GFADRL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCCC2)cc1 ZINC000740144347 600095235 /nfs/dbraw/zinc/09/52/35/600095235.db2.gz MOXVGPVKEDKARJ-UHFFFAOYSA-N -2 0 392.408 2.561 20 0 GFADRL Cc1cc(C(=O)NC(C)C)ccc1[N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000738333142 600097530 /nfs/dbraw/zinc/09/75/30/600097530.db2.gz QZVYUTUZJAAZLY-UHFFFAOYSA-N -2 0 394.424 2.771 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2nc3nc(C)cc(C(=O)[O-])c3s2)cc1F ZINC000738069497 600102438 /nfs/dbraw/zinc/10/24/38/600102438.db2.gz BVQNHPXULWIWKE-UHFFFAOYSA-N -2 0 397.409 2.646 20 0 GFADRL CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1 ZINC000737123456 600233437 /nfs/dbraw/zinc/23/34/37/600233437.db2.gz BPJGRNCQWGIGPX-UHFFFAOYSA-N -2 0 399.375 2.605 20 0 GFADRL CCOc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)ccc1OC ZINC000737190746 600233855 /nfs/dbraw/zinc/23/38/55/600233855.db2.gz ASSZEJZSBRZRJG-UHFFFAOYSA-N -2 0 387.360 2.871 20 0 GFADRL CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000438774113 600236938 /nfs/dbraw/zinc/23/69/38/600236938.db2.gz ITGMYTDWNABTEW-OAHLLOKOSA-N -2 0 389.429 2.885 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)N2C[C@H](C(=O)[O-])c3ccccc32)c(Cl)cc1F ZINC000740088394 600238764 /nfs/dbraw/zinc/23/87/64/600238764.db2.gz VPNCFMAYNDEEQY-JTQLQIEISA-N -2 0 399.783 2.554 20 0 GFADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cn2)c1C(=O)[O-] ZINC000738970914 600247218 /nfs/dbraw/zinc/24/72/18/600247218.db2.gz WOAMKEKTHLZHME-UHFFFAOYSA-N -2 0 379.438 2.781 20 0 GFADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(CNC(=O)[O-])cc2)c(Cl)c1 ZINC000737702598 600302098 /nfs/dbraw/zinc/30/20/98/600302098.db2.gz PLDGIFBDBNGJIE-UHFFFAOYSA-N -2 0 398.824 2.695 20 0 GFADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccc(N3CCOC[C@@H]3C)cc2)c1C(=O)[O-] ZINC000738969041 600396335 /nfs/dbraw/zinc/39/63/35/600396335.db2.gz GTZUXCNBYCSXEB-NSHDSACASA-N -2 0 394.449 2.621 20 0 GFADRL CCNC([S-])=C(C([O-])=C1[NH+]=C(C)C(C(=O)[O-])=C1C)[n+]1cc([O-])cc(Cl)c1 ZINC000737121937 600416911 /nfs/dbraw/zinc/41/69/11/600416911.db2.gz DQFYBZOLAWTVMV-UHFFFAOYSA-O -2 0 396.876 2.644 20 0 GFADRL CCn1cnnc1-c1ccccc1[N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000737304301 600423316 /nfs/dbraw/zinc/42/33/16/600423316.db2.gz ZEQJXECBOUCNGB-UHFFFAOYSA-N -2 0 390.396 2.603 20 0 GFADRL COC(=O)CCCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC000264730063 600488617 /nfs/dbraw/zinc/48/86/17/600488617.db2.gz DAFHWXVMGCLMIL-UHFFFAOYSA-N -2 0 399.446 2.579 20 0 GFADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC000738546353 600489098 /nfs/dbraw/zinc/48/90/98/600489098.db2.gz VKFBKXMRALNSNU-UHFFFAOYSA-N -2 0 393.417 2.738 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2cnccc2C(=O)[O-])c(C)cc1Br ZINC000738478474 600514616 /nfs/dbraw/zinc/51/46/16/600514616.db2.gz UURUQNJKDMFOGU-UHFFFAOYSA-N -2 0 385.239 2.960 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2cnc(-c3ccccc3)nc2)cc1C(=O)[O-] ZINC000042794534 600541258 /nfs/dbraw/zinc/54/12/58/600541258.db2.gz VSLOXZSDRRVJRT-UHFFFAOYSA-N -2 0 385.401 2.651 20 0 GFADRL CC(=O)N(Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1)C1CC1 ZINC000265449597 600636182 /nfs/dbraw/zinc/63/61/82/600636182.db2.gz NUKBUAMDZMHVSE-UHFFFAOYSA-N -2 0 394.474 2.758 20 0 GFADRL Cc1cccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1C(=O)N1CCCC1 ZINC000298870030 600673913 /nfs/dbraw/zinc/67/39/13/600673913.db2.gz SZWQILCNNKJQNZ-UHFFFAOYSA-N -2 0 394.474 2.792 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2OC(F)F)c[nH]1 ZINC000509566220 600674407 /nfs/dbraw/zinc/67/44/07/600674407.db2.gz DJKMEUSPHWWDRN-UHFFFAOYSA-N -2 0 398.290 2.717 20 0 GFADRL O=C([O-])c1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000551475185 600680804 /nfs/dbraw/zinc/68/08/04/600680804.db2.gz VBWSSIBNBQOMHC-UHFFFAOYSA-N -2 0 395.820 2.878 20 0 GFADRL COC(=O)c1cc([N-]S(=O)(=O)c2cc(F)ccc2Cl)ccc1C(=O)[O-] ZINC000831327392 600689100 /nfs/dbraw/zinc/68/91/00/600689100.db2.gz KMPFUNHBOKLLQB-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL COC(=O)c1cc([N-]S(=O)(=O)c2cccc(Cl)c2F)ccc1C(=O)[O-] ZINC000831327713 600689345 /nfs/dbraw/zinc/68/93/45/600689345.db2.gz LOLUQOBXVLUGQO-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL CCCc1c(C(=O)[N-]S(=O)(=O)c2ccc(C)cc2F)[nH]c(C)c1C(=O)[O-] ZINC000829562721 600802462 /nfs/dbraw/zinc/80/24/62/600802462.db2.gz SEUKTGVTYLKJHM-UHFFFAOYSA-N -2 0 382.413 2.540 20 0 GFADRL COC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000028940450 600807775 /nfs/dbraw/zinc/80/77/75/600807775.db2.gz WKLUVGFVIDHNSC-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1C ZINC000299200873 600813423 /nfs/dbraw/zinc/81/34/23/600813423.db2.gz CSWGTARBKVOUAA-UHFFFAOYSA-N -2 0 379.438 2.571 20 0 GFADRL O=C([O-])CCN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000739723591 600887853 /nfs/dbraw/zinc/88/78/53/600887853.db2.gz OJQNRBPXNQGKBN-UHFFFAOYSA-N -2 0 397.836 2.704 20 0 GFADRL CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)c(O)c1 ZINC000737156014 600894322 /nfs/dbraw/zinc/89/43/22/600894322.db2.gz ZTWKKKHPEWIWBT-UHFFFAOYSA-N -2 0 399.808 2.721 20 0 GFADRL O=C([O-])CCOc1ccc(NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)cc1 ZINC000739738879 600894760 /nfs/dbraw/zinc/89/47/60/600894760.db2.gz KHRLKUKEWPIMLT-UHFFFAOYSA-N -2 0 399.808 2.693 20 0 GFADRL Cc1cc(C)c(S(=O)(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)cc1C(=O)[O-] ZINC000736423477 600896070 /nfs/dbraw/zinc/89/60/70/600896070.db2.gz NUCROKQICJUCER-CYBMUJFWSA-N -2 0 389.429 2.769 20 0 GFADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)[C@H]2C[C@@]23CCCc2ccccc23)cc1 ZINC000833314208 600944417 /nfs/dbraw/zinc/94/44/17/600944417.db2.gz DPBRYGWJQCSVQE-WIYYLYMNSA-N -2 0 399.468 2.625 20 0 GFADRL Cc1ccc(-n2[n-]c(C(=O)N3C[C@@H](C4CCCCC4)C[C@H]3C(=O)[O-])cc2=O)cc1 ZINC000832909740 600979159 /nfs/dbraw/zinc/97/91/59/600979159.db2.gz ITNFKBQEWZDHDQ-LPHOPBHVSA-N -2 0 397.475 2.970 20 0 GFADRL O=C([O-])CCc1ccc(S(=O)(=O)N(CCC(=O)[O-])c2cccc(F)c2)cc1 ZINC000739766435 601118872 /nfs/dbraw/zinc/11/88/72/601118872.db2.gz LKVIJGMJVGINKU-UHFFFAOYSA-N -2 0 395.408 2.513 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)N2CCCc3cc(C(=O)[O-])ccc32)c1F ZINC000749141669 601224023 /nfs/dbraw/zinc/22/40/23/601224023.db2.gz IBUKCTYAPIRLCZ-UHFFFAOYSA-N -2 0 393.392 2.672 20 0 GFADRL CCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F ZINC000829740726 601224394 /nfs/dbraw/zinc/22/43/94/601224394.db2.gz QTZNZXVSTHAZKH-UHFFFAOYSA-N -2 0 381.381 2.746 20 0 GFADRL CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)cc1 ZINC000829658787 601231251 /nfs/dbraw/zinc/23/12/51/601231251.db2.gz PASRGQPPLMIDPK-UHFFFAOYSA-N -2 0 380.422 2.569 20 0 GFADRL COCCOc1c(Cl)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000831768039 601233026 /nfs/dbraw/zinc/23/30/26/601233026.db2.gz VAMJWPGJUIJPTI-UHFFFAOYSA-N -2 0 389.813 2.766 20 0 GFADRL COC(=O)c1cc(C)c(C)c(S(=O)(=O)[N-]c2cc(C)c(C(=O)[O-])s2)c1 ZINC000831247444 601320493 /nfs/dbraw/zinc/32/04/93/601320493.db2.gz BMBBFLGALRZLFT-UHFFFAOYSA-N -2 0 383.447 2.959 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(NC(=O)C3CC3)nc2)c1C ZINC000832868088 601360368 /nfs/dbraw/zinc/36/03/68/601360368.db2.gz CWRVOBCVZBOUFZ-UHFFFAOYSA-N -2 0 389.433 2.546 20 0 GFADRL CCOc1cccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])n1 ZINC000830104790 601362402 /nfs/dbraw/zinc/36/24/02/601362402.db2.gz SOYOJXOTJGJGJB-UHFFFAOYSA-N -2 0 390.339 2.998 20 0 GFADRL Cc1oc(CN(C)C(=O)c2nn(-c3ccc(F)cc3F)cc2[O-])cc1C(=O)[O-] ZINC000833025157 601386095 /nfs/dbraw/zinc/38/60/95/601386095.db2.gz CUSNSYCHAVGLBF-UHFFFAOYSA-N -2 0 391.330 2.728 20 0 GFADRL CC(C)Cn1cnc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCCC2)c1 ZINC000826924650 601474269 /nfs/dbraw/zinc/47/42/69/601474269.db2.gz MDHSINJHSDWLGF-UHFFFAOYSA-N -2 0 392.481 2.638 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2cccc3ccncc32)c(C(=O)[O-])s1 ZINC000831348440 601492258 /nfs/dbraw/zinc/49/22/58/601492258.db2.gz NIBLCQABWJUQDA-UHFFFAOYSA-N -2 0 392.414 2.582 20 0 GFADRL C[C@H]1CC/C(=C\C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000828201727 601546289 /nfs/dbraw/zinc/54/62/89/601546289.db2.gz VJRHAPGRFLXXFQ-UMYFRRCYSA-N -2 0 391.367 2.955 20 0 GFADRL O=C([O-])[C@]1(F)CCN(Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)C1 ZINC000833174589 601552123 /nfs/dbraw/zinc/55/21/23/601552123.db2.gz HMQWFAKHYSPRBX-SFHVURJKSA-N -2 0 391.399 2.789 20 0 GFADRL Cc1ccc(Br)cc1S(=O)(=O)[N-]c1csnc1C(=O)[O-] ZINC000832910515 601602772 /nfs/dbraw/zinc/60/27/72/601602772.db2.gz OVEJDGMCAKVARD-UHFFFAOYSA-N -2 0 377.241 2.713 20 0 GFADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccccc2CCC(F)(F)F)c1C(=O)[O-] ZINC000832991444 601618366 /nfs/dbraw/zinc/61/83/66/601618366.db2.gz MKUAMINUORKNEA-UHFFFAOYSA-N -2 0 377.344 2.712 20 0 GFADRL O=C([O-])CCc1nnc([N-]C(=O)c2c(F)cc(Br)cc2F)s1 ZINC000833241244 601680221 /nfs/dbraw/zinc/68/02/21/601680221.db2.gz CNYZWYRTLNNLFJ-UHFFFAOYSA-N -2 0 392.181 2.848 20 0 GFADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ccc(Oc2ccccc2)cn1 ZINC000833346589 601768601 /nfs/dbraw/zinc/76/86/01/601768601.db2.gz SJUNQCXGSVVKJU-UHFFFAOYSA-N -2 0 377.403 2.829 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)Nc2cc(F)c(F)cc2C(=O)[O-])ccc1Cl ZINC000728854504 601828420 /nfs/dbraw/zinc/82/84/20/601828420.db2.gz MWYUOXBWAOGLTJ-UHFFFAOYSA-N -2 0 391.735 2.815 20 0 GFADRL O=C([O-])C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c2ccccc21 ZINC000363260803 601829299 /nfs/dbraw/zinc/82/92/99/601829299.db2.gz ZNRJUYJRKNQYJD-SNVBAGLBSA-N -2 0 395.820 2.805 20 0 GFADRL CCCc1ccc(-c2cc([N-]S(=O)(=O)c3csnc3C(=O)[O-])n[nH]2)cc1 ZINC000829566427 601831085 /nfs/dbraw/zinc/83/10/85/601831085.db2.gz MASJOFFXUOPNMQ-UHFFFAOYSA-N -2 0 392.462 2.985 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3)c(Cl)cc1F ZINC000063877555 601834312 /nfs/dbraw/zinc/83/43/12/601834312.db2.gz OWGHWPAMSFYTOK-UHFFFAOYSA-N -2 0 398.799 2.863 20 0 GFADRL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c1C(=O)[O-] ZINC000735027282 601841744 /nfs/dbraw/zinc/84/17/44/601841744.db2.gz IAJVMEGUFPQJIY-UHFFFAOYSA-N -3 0 387.772 2.985 20 0 GFADRL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1cc(Cl)ccc1-n1cncn1 ZINC000833295554 601857270 /nfs/dbraw/zinc/85/72/70/601857270.db2.gz ZLFQHQJCUAATQP-UHFFFAOYSA-N -2 0 396.787 2.559 20 0 GFADRL C[C@@H](CC(=O)[O-])C(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2cccs2)c1 ZINC000827310618 602101957 /nfs/dbraw/zinc/10/19/57/602101957.db2.gz JZUVKJMVKIBGPU-VIFPVBQESA-N -2 0 386.426 2.737 20 0 GFADRL CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2nnc(CCCC(=O)[O-])s2)cc1 ZINC000826669896 602106500 /nfs/dbraw/zinc/10/65/00/602106500.db2.gz WHMCVCVLLZHMAH-UHFFFAOYSA-N -2 0 397.478 2.585 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(CCc3ccccc3)[nH]n2)ccc1F ZINC000833304291 602307305 /nfs/dbraw/zinc/30/73/05/602307305.db2.gz XLKYCCNFXTVHCN-UHFFFAOYSA-N -2 0 389.408 2.833 20 0 GFADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2nnc(-c3ccccn3)s2)c1 ZINC000833317580 602307431 /nfs/dbraw/zinc/30/74/31/602307431.db2.gz WJHSTOYIMKGZNU-UHFFFAOYSA-N -2 0 396.837 2.753 20 0 GFADRL CCN(Cc1ccccc1[N-]S(=O)(=O)c1cccc2c1OCCO2)C(=O)[O-] ZINC000739446440 602654261 /nfs/dbraw/zinc/65/42/61/602654261.db2.gz WRUWMLGCKCRJRZ-UHFFFAOYSA-N -2 0 392.433 2.759 20 0 GFADRL O=C([O-])N[C@@H](CCC(=O)[N-]S(=O)(=O)c1ccc(F)c(F)c1)c1ccccc1 ZINC000740538441 602669933 /nfs/dbraw/zinc/66/99/33/602669933.db2.gz DLXBRSAJVHZLPH-HNNXBMFYSA-N -2 0 398.387 2.559 20 0 GFADRL O=C([O-])N(CCCNC(=O)c1ccc2[n-]c(=S)oc2c1)Cc1cccnc1 ZINC000740427769 603117874 /nfs/dbraw/zinc/11/78/74/603117874.db2.gz BBWGXGSLBHBYOD-UHFFFAOYSA-N -2 0 386.433 2.812 20 0 GFADRL Cc1ccc(C(=O)[N-]S(=O)(=O)c2cccc3cnccc32)cc1NC(=O)[O-] ZINC000830230251 603436145 /nfs/dbraw/zinc/43/61/45/603436145.db2.gz AJEWGWSETJJTQR-UHFFFAOYSA-N -2 0 385.401 2.752 20 0 GFADRL O=C([O-])NCC1CCN(C(=O)c2cc(Cl)cc(Br)c2[O-])CC1 ZINC000832590731 603839705 /nfs/dbraw/zinc/83/97/05/603839705.db2.gz WUVMNJQIZXLXSN-UHFFFAOYSA-N -2 0 391.649 2.928 20 0 GFADRL O=C([O-])c1ccc(NS(=O)(=O)c2ccccc2C(=O)[O-])cc1C(F)(F)F ZINC000833321936 604399928 /nfs/dbraw/zinc/39/99/28/604399928.db2.gz RLBRCKVUEJVNDH-UHFFFAOYSA-N -2 0 389.307 2.903 20 0 GFADRL Cc1ccc(OCCCC(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])c(C)c1 ZINC000832951987 604406949 /nfs/dbraw/zinc/40/69/49/604406949.db2.gz ABNIYNUPOZPAQM-UHFFFAOYSA-N -2 0 397.474 2.727 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])c(F)cc2F)c(Cl)c1 ZINC000327683134 604766738 /nfs/dbraw/zinc/76/67/38/604766738.db2.gz FGCIRYGQSNRTQR-UHFFFAOYSA-N -2 0 391.735 2.815 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2ccc(OCC(=O)[O-])c(Cl)c2)cnc1Cl ZINC000832904633 604807086 /nfs/dbraw/zinc/80/70/86/604807086.db2.gz WGNWODIMIWSTAK-UHFFFAOYSA-N -2 0 391.232 2.961 20 0 GFADRL Cc1ccc(-c2n[nH]c([N-]S(=O)(=O)c3cccc(F)c3C(=O)[O-])c2C)o1 ZINC000832907152 604809112 /nfs/dbraw/zinc/80/91/12/604809112.db2.gz JGRWEXVJDPKTQN-UHFFFAOYSA-N -2 0 379.369 2.925 20 0 GFADRL C[C@@H](CSCc1ccccc1)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000827582095 604816808 /nfs/dbraw/zinc/81/68/08/604816808.db2.gz XUGDJNUAWCPWMM-NSHDSACASA-N -2 0 399.515 2.821 20 0 GFADRL COc1ccc(O)c(S(=O)(=O)[N-]c2cccc(CSCC(=O)[O-])c2)c1 ZINC000833733999 605240652 /nfs/dbraw/zinc/24/06/52/605240652.db2.gz YNFCOPWFRIEODE-UHFFFAOYSA-N -2 0 383.447 2.519 20 0 GFADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CC[C@H](NC(=O)[O-])C[C@H]3C)n2)cc1 ZINC000824464887 605363007 /nfs/dbraw/zinc/36/30/07/605363007.db2.gz WZOTYCFYJQGQNF-HIFRSBDPSA-N -2 0 386.452 2.962 20 0 GFADRL CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)C[C@@H](NC(=O)[O-])c1ccccc1 ZINC000828420378 605573275 /nfs/dbraw/zinc/57/32/75/605573275.db2.gz GOJWQSSXYHQPJQ-CYBMUJFWSA-N -2 0 386.433 2.754 20 0 GFADRL CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(NC(=O)[O-])c(C)c2)c1 ZINC000827489760 605805024 /nfs/dbraw/zinc/80/50/24/605805024.db2.gz QVRAEKVMIVBBKQ-UHFFFAOYSA-N -2 0 378.406 2.836 20 0 GFADRL O=C([O-])N(CCCNC(=O)c1cc(F)c(F)c([O-])c1F)Cc1cccnc1 ZINC000834040857 605853478 /nfs/dbraw/zinc/85/34/78/605853478.db2.gz VDPJNKAYDVMOGT-UHFFFAOYSA-N -2 0 383.326 2.505 20 0 GFADRL O=C([O-])c1ccc(CNC(=O)C2(c3ccccc3)CCN(C(=O)[O-])CC2)cc1 ZINC000834283199 606031085 /nfs/dbraw/zinc/03/10/85/606031085.db2.gz LHXCOWHUNPQXNL-UHFFFAOYSA-N -2 0 382.416 2.713 20 0 GFADRL O=C([O-])N[C@H](CC(=O)N1CCc2ccc(C(=O)[O-])cc2C1)Cc1ccccc1 ZINC000834124464 606113995 /nfs/dbraw/zinc/11/39/95/606113995.db2.gz XSTSSLBGZCCOLB-SFHVURJKSA-N -2 0 382.416 2.539 20 0 GFADRL Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl ZINC000826267557 609530459 /nfs/dbraw/zinc/53/04/59/609530459.db2.gz KQRBEFCZLZPTQW-UHFFFAOYSA-N -2 0 385.236 2.678 20 0 GFADRL Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1c[nH]nc1C(F)(F)F ZINC000821186329 660318186 /nfs/dbraw/zinc/31/81/86/660318186.db2.gz WPURYFZTBOHCLC-UHFFFAOYSA-N -2 0 383.735 2.889 20 0 GFADRL COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2SC)c1 ZINC000013278946 654504017 /nfs/dbraw/zinc/50/40/17/654504017.db2.gz OAORZYCIQKXEPD-UHFFFAOYSA-N -2 0 383.447 2.925 20 0 GFADRL CNC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC000029323593 654575972 /nfs/dbraw/zinc/57/59/72/654575972.db2.gz IYRYECLUWBLXRV-UHFFFAOYSA-N -2 0 383.813 2.590 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(O)cc2)c(Br)s1 ZINC000035255635 654610904 /nfs/dbraw/zinc/61/09/04/654610904.db2.gz OXGSGPUDGSCPJH-UHFFFAOYSA-N -2 0 378.225 2.715 20 0 GFADRL O=C([O-])Cc1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000037373515 654614576 /nfs/dbraw/zinc/61/45/76/654614576.db2.gz RIGWNJWDZUOXFS-UHFFFAOYSA-N -2 0 376.253 2.939 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cnc1Br ZINC000181174349 655333413 /nfs/dbraw/zinc/33/34/13/655333413.db2.gz KMNWJDYAMWAOSM-UHFFFAOYSA-N -2 0 389.202 2.791 20 0 GFADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1ccc(Br)nc1C ZINC000320768745 655382418 /nfs/dbraw/zinc/38/24/18/655382418.db2.gz YCLYUMBVPSTJFC-UHFFFAOYSA-N -2 0 385.239 2.960 20 0 GFADRL O=C([O-])CCC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2O)cc1 ZINC000530955857 655420847 /nfs/dbraw/zinc/42/08/47/655420847.db2.gz WNAOCUYOGPUOGH-UHFFFAOYSA-N -2 0 383.809 2.894 20 0 GFADRL CCOC(=O)Cc1cccc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c1 ZINC000265645047 655488064 /nfs/dbraw/zinc/48/80/64/655488064.db2.gz RSKOIPYCWNRYRY-UHFFFAOYSA-N -2 0 383.447 2.661 20 0 GFADRL O=C([O-])c1c(F)cc([N-]S(=O)(=O)c2ccc(Br)o2)cc1F ZINC000758947273 655943763 /nfs/dbraw/zinc/94/37/63/655943763.db2.gz SUFRONFQAFKECH-UHFFFAOYSA-N -2 0 382.138 2.819 20 0 GFADRL COc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])c(C)c1 ZINC000775297453 656626703 /nfs/dbraw/zinc/62/67/03/656626703.db2.gz QEOZAMSUJBNWLB-UHFFFAOYSA-N -2 0 385.825 2.921 20 0 GFADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000776520999 656750447 /nfs/dbraw/zinc/75/04/47/656750447.db2.gz SKHVLQAJOZANHA-MUWHJKNJSA-N -2 0 379.278 2.701 20 0 GFADRL CC[C@H](C)C[C@H]([N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)[O-] ZINC000776613579 656766952 /nfs/dbraw/zinc/76/69/52/656766952.db2.gz FVLYOBUAADSKJH-WDSKDSINSA-N -2 0 375.315 2.550 20 0 GFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)cc1C(=O)[O-] ZINC000790382523 657965258 /nfs/dbraw/zinc/96/52/58/657965258.db2.gz UYPBFXZMMDLCIA-UHFFFAOYSA-N -3 0 385.781 2.546 20 0 GFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2cc(CO)ccc2C)cc1C(=O)[O-] ZINC000790390444 657967059 /nfs/dbraw/zinc/96/70/59/657967059.db2.gz QWPBEXDGRMRYJH-UHFFFAOYSA-N -2 0 385.825 2.648 20 0 GFADRL O=S(=O)(C[C@@H]1CCCOC1)[N-]c1cc(Br)cc(Cl)c1[O-] ZINC000795346832 658809263 /nfs/dbraw/zinc/80/92/63/658809263.db2.gz YHAALEFPNWSJOE-MRVPVSSYSA-N -2 0 384.679 2.976 20 0 GFADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000853071006 661880802 /nfs/dbraw/zinc/88/08/02/661880802.db2.gz YDIPHXDNSXNPMK-MLUIRONXSA-N -2 0 380.171 2.989 20 0 GFADRL CC(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000863955542 662350989 /nfs/dbraw/zinc/35/09/89/662350989.db2.gz PFFBKDODIVKRBZ-SECBINFHSA-N -2 0 387.763 2.521 20 0 GFADRL C[C@@H](C(=O)[O-])C1([N-]S(=O)(=O)c2oc3ccccc3c2Br)CC1 ZINC000864438305 662371415 /nfs/dbraw/zinc/37/14/15/662371415.db2.gz GSARIZXTCPWDFQ-QMMMGPOBSA-N -2 0 388.239 2.727 20 0 GFADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc(C2SCCS2)cc1 ZINC000910186224 664198322 /nfs/dbraw/zinc/19/83/22/664198322.db2.gz ONOAFYMEZQLPRO-QWHCGFSZSA-N -2 0 381.475 2.555 20 0 GFADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)c2ccc(SC(F)(F)F)cc2)C1 ZINC000910190307 664198660 /nfs/dbraw/zinc/19/86/60/664198660.db2.gz WEKQVALYHLOAQD-MWLCHTKSSA-N -2 0 377.340 2.689 20 0 GFADRL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1cnn(CC(F)(F)F)c1 ZINC000122138147 551294944 /nfs/dbraw/zinc/29/49/44/551294944.db2.gz IKNWZOMVCKESEH-UHFFFAOYSA-N -2 0 397.762 2.906 20 0 GFADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OCC(F)(F)F)nc1 ZINC000327471124 563458470 /nfs/dbraw/zinc/45/84/70/563458470.db2.gz ZHPJMCJNKMCMEW-UHFFFAOYSA-N -2 0 396.368 2.892 20 0 GFADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)cc(OC)c1OC ZINC000327469175 563458832 /nfs/dbraw/zinc/45/88/32/563458832.db2.gz YSRDRDJYCPOPIE-UHFFFAOYSA-N -2 0 387.435 2.581 20 0 GFADRL CCN(CC)C(=O)c1cccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000393085064 563528724 /nfs/dbraw/zinc/52/87/24/563528724.db2.gz IVOZGWMOQFEPJL-UHFFFAOYSA-N -2 0 382.463 2.729 20 0 GFADRL COc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C(=O)[O-])c2)ccc1Cl ZINC000432645882 563590407 /nfs/dbraw/zinc/59/04/07/563590407.db2.gz QGCKPMDHVVCYTQ-UHFFFAOYSA-N -2 0 385.781 2.546 20 0 GFADRL Cc1ccc(Br)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000433501217 563614386 /nfs/dbraw/zinc/61/43/86/563614386.db2.gz ZGJGOEOFVNTCCM-UHFFFAOYSA-N -2 0 386.223 2.962 20 0 GFADRL O=C(Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)c1ccc(Br)cc1[O-] ZINC000436687208 563677211 /nfs/dbraw/zinc/67/72/11/563677211.db2.gz HTEDTHKHKGRDDB-UHFFFAOYSA-N -2 0 375.182 2.898 20 0 GFADRL O=S(=O)([N-]c1ccccc1[N-]S(=O)(=O)c1ccccc1)c1ccco1 ZINC000437672693 563698032 /nfs/dbraw/zinc/69/80/32/563698032.db2.gz WCPVRTHCEYLZNI-UHFFFAOYSA-N -2 0 378.431 2.881 20 0 GFADRL CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)ccc1Cl ZINC000438808279 563711586 /nfs/dbraw/zinc/71/15/86/563711586.db2.gz SKFLVAYLTINLDV-UHFFFAOYSA-N -2 0 386.788 2.937 20 0 GFADRL Cc1cc(S(=O)(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)sc1C(=O)[O-] ZINC000363644991 563729561 /nfs/dbraw/zinc/72/95/61/563729561.db2.gz AWWZZABRNHESSB-JTQLQIEISA-N -2 0 381.431 2.522 20 0 GFADRL COC(=O)c1scc(C)c1S(=O)(=O)[N-]c1cc(F)c(F)cc1C(=O)[O-] ZINC000442840492 563781586 /nfs/dbraw/zinc/78/15/86/563781586.db2.gz XFFBXTPWHWWZOX-UHFFFAOYSA-N -2 0 391.373 2.620 20 0 GFADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Br)ccc1O ZINC000443392037 563803785 /nfs/dbraw/zinc/80/37/85/563803785.db2.gz WCABQLYEDMBJFL-UHFFFAOYSA-N -2 0 376.184 2.555 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(N)=O)cc(C(=O)[O-])c1C ZINC000471110871 564185823 /nfs/dbraw/zinc/18/58/23/564185823.db2.gz WRIFLDWOSNCRQP-UHFFFAOYSA-N -2 0 382.825 2.555 20 0 GFADRL CCc1oncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Br)c1C ZINC000509395672 564295557 /nfs/dbraw/zinc/29/55/57/564295557.db2.gz DILDYUKWRDRDTI-UHFFFAOYSA-N -2 0 389.227 2.807 20 0 GFADRL Cc1c(Br)cc([N-]S(=O)(=O)c2cncc(F)c2)cc1C(=O)[O-] ZINC000567067179 564356573 /nfs/dbraw/zinc/35/65/73/564356573.db2.gz SYAYSLSADAHUBH-UHFFFAOYSA-N -2 0 389.202 2.791 20 0 GFADRL CC(C)n1cnc(S(=O)(=O)[N-]c2ccc(Br)c(C(=O)[O-])c2)c1 ZINC000513813785 564439579 /nfs/dbraw/zinc/43/95/79/564439579.db2.gz LHBXMKRNTXQJPB-UHFFFAOYSA-N -2 0 388.243 2.726 20 0 GFADRL N#Cc1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C(=O)[O-])ccc1Cl ZINC000547544440 564492500 /nfs/dbraw/zinc/49/25/00/564492500.db2.gz DVPUAGFHAKXAOF-UHFFFAOYSA-N -2 0 381.753 2.619 20 0 GFADRL CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)cc1Cl ZINC000481967133 564529913 /nfs/dbraw/zinc/52/99/13/564529913.db2.gz XDVVAOKIZFPIQR-UHFFFAOYSA-N -2 0 384.797 2.503 20 0 GFADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2C(=O)[O-])cc1Cl ZINC000548538415 564557054 /nfs/dbraw/zinc/55/70/54/564557054.db2.gz CMIIFIRFHXHFIC-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])cs1 ZINC000484499297 564589507 /nfs/dbraw/zinc/58/95/07/564589507.db2.gz MBVQLRWOZQEPTN-UHFFFAOYSA-N -2 0 375.811 2.687 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2cccc([C@H]3CCC(=O)N3)c2)sc1C(=O)[O-] ZINC000572373442 564592441 /nfs/dbraw/zinc/59/24/41/564592441.db2.gz NASPXFFPHTZMLJ-GFCCVEGCSA-N -2 0 380.447 2.507 20 0 GFADRL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2F)cc2c1OCCO2 ZINC000484957456 564603114 /nfs/dbraw/zinc/60/31/14/564603114.db2.gz LFLLCUQCWGASHT-UHFFFAOYSA-N -2 0 387.772 2.749 20 0 GFADRL CCOc1cc2c(cc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1)O[C@H](C)C2 ZINC000520700058 564610108 /nfs/dbraw/zinc/61/01/08/564610108.db2.gz ZNNOVZQYZPHMKK-SECBINFHSA-N -2 0 383.447 2.969 20 0 GFADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)nc2)c1 ZINC000550972506 564635473 /nfs/dbraw/zinc/63/54/73/564635473.db2.gz WIWCVWUERHBYJA-UHFFFAOYSA-N -2 0 377.403 2.829 20 0 GFADRL CC(C)c1nc(S(=O)(=O)[N-]c2ccc(S[C@H](C)C(=O)[O-])cc2)cn1C ZINC000576800426 564720004 /nfs/dbraw/zinc/72/00/04/564720004.db2.gz WBNFQSQAZHRTRG-LLVKDONJSA-N -2 0 383.495 2.910 20 0 GFADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)cc(C)c1O ZINC000462100306 564819352 /nfs/dbraw/zinc/81/93/52/564819352.db2.gz FHQNUNKDEQLHKY-UHFFFAOYSA-N -2 0 385.825 2.791 20 0 GFADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Br)cc1O ZINC000531045861 564900058 /nfs/dbraw/zinc/90/00/58/564900058.db2.gz MIGWJWTXEZKJJW-UHFFFAOYSA-N -2 0 376.184 2.555 20 0 GFADRL C[C@@H]([C@H]([N-]S(=O)(=O)c1cc(F)c(Br)cc1F)C(=O)[O-])C1CC1 ZINC000558685097 564911738 /nfs/dbraw/zinc/91/17/38/564911738.db2.gz NDULMOPDRZYEGA-INWYIAFRSA-N -2 0 398.225 2.505 20 0 GFADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1O[C@@H]1CCOC1 ZINC000531588974 564914233 /nfs/dbraw/zinc/91/42/33/564914233.db2.gz YYCSWXZZWBZYAT-LLVKDONJSA-N -2 0 383.447 2.723 20 0 GFADRL COc1cc(OC)c([N-]S(=O)(=O)c2ccc(SC)cc2)c(C(=O)[O-])c1 ZINC000589939526 565173903 /nfs/dbraw/zinc/17/39/03/565173903.db2.gz OGDGVWDHWZZGMH-UHFFFAOYSA-N -2 0 383.447 2.925 20 0 GFADRL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)cc1Cl ZINC000591678451 565236598 /nfs/dbraw/zinc/23/65/98/565236598.db2.gz TXKGOIVFYNLVKW-UHFFFAOYSA-N -2 0 386.788 2.937 20 0 GFADRL Cc1ccc(Sc2nc(=NC(=O)N[C@@H]3CC[C@H](C(=O)[O-])C3)s[n-]2)cc1 ZINC000647703228 565672360 /nfs/dbraw/zinc/67/23/60/565672360.db2.gz YPMWFSAGBPRTDJ-WDEREUQCSA-N -2 0 378.479 2.794 20 0 GFADRL CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)s1 ZINC000677234771 565965227 /nfs/dbraw/zinc/96/52/27/565965227.db2.gz JTYPSBBLWZVCPP-MRVPVSSYSA-N -2 0 386.426 2.583 20 0 GFADRL CC(=O)Nc1nc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)[O-])s1 ZINC000680489981 566071937 /nfs/dbraw/zinc/07/19/37/566071937.db2.gz QMLUCZDMCDCSGQ-UHFFFAOYSA-N -2 0 389.842 2.562 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H](c1ccc(C)o1)C(F)(F)F ZINC000656180833 566111454 /nfs/dbraw/zinc/11/14/54/566111454.db2.gz MOOYDUBPMOPUER-JTQLQIEISA-N -2 0 399.368 2.938 20 0 GFADRL Cc1c(Cl)ccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cnn(CC(F)F)c1 ZINC000681683059 566121482 /nfs/dbraw/zinc/12/14/82/566121482.db2.gz ZTMTWRJQGIXJLN-UHFFFAOYSA-N -2 0 379.772 2.609 20 0 GFADRL CS(=O)(=O)[N-]c1cc2ccccc2cc1C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000769523879 597093041 /nfs/dbraw/zinc/09/30/41/597093041.db2.gz CEGCALOLBSQYTG-ZDUSSCGKSA-N -2 0 390.461 2.538 20 0 GFADRL CC1=C(C(=O)[O-])[C@@H](c2ccc(OC(F)(F)C(=O)[O-])cc2)NC(=O)N1CC1CC1 ZINC000736752612 599735417 /nfs/dbraw/zinc/73/54/17/599735417.db2.gz YBEOOLUJPHKGNL-CQSZACIVSA-N -2 0 396.346 2.578 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(OCc3cscn3)c2)o1 ZINC000740187409 599740408 /nfs/dbraw/zinc/74/04/08/599740408.db2.gz IQXCBVCOGSXMOZ-UHFFFAOYSA-N -2 0 380.403 2.814 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)c(C(=O)[O-])s1 ZINC000737680828 599813833 /nfs/dbraw/zinc/81/38/33/599813833.db2.gz MLIAHJOMENXFQS-UHFFFAOYSA-N -2 0 381.431 2.522 20 0 GFADRL COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])c1 ZINC000047202437 599851604 /nfs/dbraw/zinc/85/16/04/599851604.db2.gz VOEYXOSSOUUJPQ-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(CCC(=O)[O-])cc2)c1C ZINC000738345186 599853063 /nfs/dbraw/zinc/85/30/63/599853063.db2.gz IDPOEXRRONKQLK-UHFFFAOYSA-N -2 0 377.418 2.820 20 0 GFADRL CN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3Cl)ccc21 ZINC000531759439 599854030 /nfs/dbraw/zinc/85/40/30/599854030.db2.gz IAAJASNICMKISD-UHFFFAOYSA-N -2 0 394.836 2.748 20 0 GFADRL COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(OC)ccc2C(=O)[O-])c1 ZINC000737690676 600006090 /nfs/dbraw/zinc/00/60/90/600006090.db2.gz FWLPMZTWSLPREM-UHFFFAOYSA-N -2 0 399.808 2.634 20 0 GFADRL C/C(=C/C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1)C1CC1 ZINC000736122400 600043934 /nfs/dbraw/zinc/04/39/34/600043934.db2.gz ZZDNYXONGAQFTB-YWEYNIOJSA-N -2 0 377.340 2.565 20 0 GFADRL CC1(C)Cc2nc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)sc2C(=O)C1 ZINC000736725961 600051557 /nfs/dbraw/zinc/05/15/57/600051557.db2.gz DPZLXZJEXDWQHM-UHFFFAOYSA-N -2 0 380.447 2.797 20 0 GFADRL O=C([O-])[C@@H]1CCN(C(=O)c2ccsc2NC(=O)c2ccc(Cl)cc2[O-])C1 ZINC000436777974 600059422 /nfs/dbraw/zinc/05/94/22/600059422.db2.gz OTNLVEBSHJVHFP-SECBINFHSA-N -2 0 394.836 2.906 20 0 GFADRL CC(C)n1ncc2cc([N-]S(=O)(=O)c3cc(F)ccc3C(=O)[O-])cnc21 ZINC000736540123 600096007 /nfs/dbraw/zinc/09/60/07/600096007.db2.gz SSUYURADWSFMKX-UHFFFAOYSA-N -2 0 378.385 2.650 20 0 GFADRL Cc1ccc(Cn2nccc2[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)o1 ZINC000738604441 600102415 /nfs/dbraw/zinc/10/24/15/600102415.db2.gz HNAYUVKTLSBCGB-UHFFFAOYSA-N -2 0 395.824 2.985 20 0 GFADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(Oc3ccc(F)cc3)nc2)c1C(=O)[O-] ZINC000738829963 600232704 /nfs/dbraw/zinc/23/27/04/600232704.db2.gz WDMNPPDXKSQARI-UHFFFAOYSA-N -2 0 392.368 2.544 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2OC(F)F)cs1 ZINC000740154539 600237773 /nfs/dbraw/zinc/23/77/73/600237773.db2.gz FOUNVUGWKVUNGX-UHFFFAOYSA-N -3 0 393.345 2.547 20 0 GFADRL O=C([O-])c1sc2ccccc2c1S(=O)(=O)[N-]c1ccc(OCCO)cc1 ZINC000740280224 600237924 /nfs/dbraw/zinc/23/79/24/600237924.db2.gz JUEHHJPWOMVPHM-UHFFFAOYSA-N -2 0 393.442 2.771 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cn2)c(F)cc1F ZINC000740089922 600247157 /nfs/dbraw/zinc/24/71/57/600247157.db2.gz NXKSOFBPQSXYGQ-UHFFFAOYSA-N -2 0 397.403 2.849 20 0 GFADRL O=C([O-])NCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000740001936 600303320 /nfs/dbraw/zinc/30/33/20/600303320.db2.gz UDGSWMUMMUEEBX-UHFFFAOYSA-N -3 0 384.797 2.607 20 0 GFADRL C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC000736723586 600352662 /nfs/dbraw/zinc/35/26/62/600352662.db2.gz HLPCPOAWNGLFSB-CYBMUJFWSA-N -2 0 386.429 2.547 20 0 GFADRL C[C@H](c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1)N1CCOCC1 ZINC000736716263 600423300 /nfs/dbraw/zinc/42/33/00/600423300.db2.gz DWCBLBAJNZJGBQ-GFCCVEGCSA-N -2 0 396.490 2.640 20 0 GFADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nc2ccsc2s1 ZINC000737689100 600472854 /nfs/dbraw/zinc/47/28/54/600472854.db2.gz SJYSTSYOQCVKTL-UHFFFAOYSA-N -2 0 398.443 2.643 20 0 GFADRL COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2nc3ccsc3s2)c1 ZINC000737654127 600472899 /nfs/dbraw/zinc/47/28/99/600472899.db2.gz MAMFZTFGRSMDQZ-UHFFFAOYSA-N -2 0 398.443 2.643 20 0 GFADRL COC(=O)c1ccc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])cc1Cl ZINC000737698774 600483361 /nfs/dbraw/zinc/48/33/61/600483361.db2.gz BRETWVGRDSOTFD-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3[nH]nc(C(=O)[O-])c3c2)c1 ZINC000738016767 600487964 /nfs/dbraw/zinc/48/79/64/600487964.db2.gz RCZHOPDXHJPKGN-UHFFFAOYSA-N -2 0 381.797 2.724 20 0 GFADRL CS(=O)(=O)[N-]c1cc2ccccc2cc1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000738163500 600522078 /nfs/dbraw/zinc/52/20/78/600522078.db2.gz GLGYDNQVEIJZPY-UHFFFAOYSA-N -2 0 398.440 2.840 20 0 GFADRL COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1C(=O)[O-] ZINC000042796573 600543371 /nfs/dbraw/zinc/54/33/71/600543371.db2.gz GMLBAFDTPDXYSF-UHFFFAOYSA-N -2 0 385.781 2.546 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccn2)c(C)cc1Br ZINC000738477117 600576774 /nfs/dbraw/zinc/57/67/74/600576774.db2.gz QRZVQVHCVANUHE-UHFFFAOYSA-N -2 0 385.239 2.960 20 0 GFADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2cnn(-c3ccccc3Cl)c2)cc1 ZINC000739886697 600629541 /nfs/dbraw/zinc/62/95/41/600629541.db2.gz VMIAAVBRYQLJOL-UHFFFAOYSA-N -2 0 391.836 2.954 20 0 GFADRL COc1cc(F)c(S(=O)(=O)[N-]c2cc(Cl)cc(C(=O)[O-])c2)cc1OC ZINC000327488972 600637067 /nfs/dbraw/zinc/63/70/67/600637067.db2.gz KYOCWERUIKFVED-UHFFFAOYSA-N -2 0 389.788 2.995 20 0 GFADRL O=C([O-])CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2Cl)cc1 ZINC000739740448 600678894 /nfs/dbraw/zinc/67/88/94/600678894.db2.gz WYSSDYCDJIYXQP-UHFFFAOYSA-N -2 0 399.808 2.693 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)cc2OCC(F)(F)F)c[nH]1 ZINC000071081641 600681979 /nfs/dbraw/zinc/68/19/79/600681979.db2.gz GQLWHWYWPQYXHI-UHFFFAOYSA-N -2 0 382.291 2.594 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2ccc(N3CCOC3=O)cc2)sc1C(=O)[O-] ZINC000738241580 600693688 /nfs/dbraw/zinc/69/36/88/600693688.db2.gz XFAFRKSKKHGFKA-UHFFFAOYSA-N -2 0 382.419 2.512 20 0 GFADRL O=C([O-])C[C@H](NC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1)c1cccc(Cl)c1 ZINC000833198641 600814119 /nfs/dbraw/zinc/81/41/19/600814119.db2.gz FDBUFVAASSOKDE-AWEZNQCLSA-N -2 0 387.779 2.629 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@]23CCCc2ccccc23)s1 ZINC000833324290 600941422 /nfs/dbraw/zinc/94/14/22/600941422.db2.gz BMRVTSIJJNDFSY-ACJLOTCBSA-N -2 0 391.470 2.545 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)n(Cc2ccccc2)n1 ZINC000832899738 600976734 /nfs/dbraw/zinc/97/67/34/600976734.db2.gz PTMQLJAAMKERSW-UHFFFAOYSA-N -2 0 377.447 2.800 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)cc2OC(F)F)ccc1O ZINC000740089748 601051260 /nfs/dbraw/zinc/05/12/60/601051260.db2.gz JYQXMVYXBCVNFE-UHFFFAOYSA-N -2 0 377.296 2.632 20 0 GFADRL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000477394435 601116700 /nfs/dbraw/zinc/11/67/00/601116700.db2.gz RYXNGOGEVFJKEA-UHFFFAOYSA-N -3 0 397.380 2.730 20 0 GFADRL CC(C)(C(=O)[O-])c1ccc(NC(=O)Cn2c(=O)c3ccccc3[n-]c2=S)cc1 ZINC000826118388 601121514 /nfs/dbraw/zinc/12/15/14/601121514.db2.gz INRCATMQJJOJPG-UHFFFAOYSA-N -2 0 397.456 2.686 20 0 GFADRL O=C([O-])c1ccc(O)c(S(=O)(=O)[N-]c2cc3ccccc3cc2C(=O)[O-])c1 ZINC000748671212 601249777 /nfs/dbraw/zinc/24/97/77/601249777.db2.gz FCNHNNQCMJPZHV-UHFFFAOYSA-N -3 0 387.369 2.743 20 0 GFADRL COC(=O)c1sc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)cc1C ZINC000831479829 601321185 /nfs/dbraw/zinc/32/11/85/601321185.db2.gz VATZJSWWYKVDMX-VMPITWQZSA-N -2 0 381.431 2.742 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(F)F)c(F)c1 ZINC000048382679 601324017 /nfs/dbraw/zinc/32/40/17/601324017.db2.gz XPDZTAAHYIGGGS-UHFFFAOYSA-N -2 0 391.323 2.935 20 0 GFADRL COC(=O)c1c(F)cccc1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000831225669 601330313 /nfs/dbraw/zinc/33/03/13/601330313.db2.gz AEHSCXNNHBURRX-JXMROGBWSA-N -2 0 379.365 2.511 20 0 GFADRL COC(=O)c1ccc(OC)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000609447584 601330882 /nfs/dbraw/zinc/33/08/82/601330882.db2.gz QAVZFRBTDVASSZ-UHFFFAOYSA-N -2 0 393.417 2.598 20 0 GFADRL CC(C)Cn1cnc(S(=O)(=O)[N-]c2nc(C(C)(C)C)c(C(=O)[O-])s2)c1 ZINC000826924652 601338482 /nfs/dbraw/zinc/33/84/82/601338482.db2.gz MDVYCDBMYQTQNA-UHFFFAOYSA-N -2 0 386.499 2.792 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)c(Cl)cn1 ZINC000832204257 601361448 /nfs/dbraw/zinc/36/14/48/601361448.db2.gz VCKANLPURUAOQK-UHFFFAOYSA-N -2 0 377.205 2.896 20 0 GFADRL O=C([O-])c1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)CCC2 ZINC000833356547 601486678 /nfs/dbraw/zinc/48/66/78/601486678.db2.gz MAMZFRLYHKYWON-UHFFFAOYSA-N -2 0 380.809 2.753 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2nnc(Cc3ccccc3)s2)ccc1C(=O)[O-] ZINC000832904559 601502857 /nfs/dbraw/zinc/50/28/57/601502857.db2.gz SRGFMFHHOFXSFO-UHFFFAOYSA-N -2 0 389.458 2.936 20 0 GFADRL COc1ccccc1-c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)n[nH]1 ZINC000754829168 601604453 /nfs/dbraw/zinc/60/44/53/601604453.db2.gz YNPSVHDUKWHNEM-UHFFFAOYSA-N -2 0 391.380 2.723 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2c(-c3ccco3)nc3ccccn32)cc1C(=O)[O-] ZINC000833027915 601770247 /nfs/dbraw/zinc/77/02/47/601770247.db2.gz ZZSZLAOWCPKVSX-UHFFFAOYSA-N -2 0 387.373 2.995 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)ccc1Cl ZINC000833303973 601830716 /nfs/dbraw/zinc/83/07/16/601830716.db2.gz BWLVEYHENBNXJE-UHFFFAOYSA-N -2 0 391.735 2.815 20 0 GFADRL O=C([O-])c1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc(-c2csnn2)cc1 ZINC000833344929 601837139 /nfs/dbraw/zinc/83/71/39/601837139.db2.gz MMOMQMBUMIUWSH-UHFFFAOYSA-N -2 0 396.837 2.753 20 0 GFADRL Cc1cn(-c2ccccc2)nc1[N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000751143845 601840751 /nfs/dbraw/zinc/84/07/51/601840751.db2.gz TVTCBKJDZUUZPR-UHFFFAOYSA-N -2 0 393.371 2.958 20 0 GFADRL C[S@](=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c1 ZINC000731902220 601841567 /nfs/dbraw/zinc/84/15/67/601841567.db2.gz JTZSYUVUEYGTDC-QHCPKHFHSA-N -2 0 391.829 2.716 20 0 GFADRL CCCOc1ccc(S(=O)(=O)[N-]c2nc3c(s2)CN(C(=O)[O-])CC3)cc1 ZINC000739374413 601976127 /nfs/dbraw/zinc/97/61/27/601976127.db2.gz XHFSOAJZHXXANV-UHFFFAOYSA-N -2 0 397.478 2.769 20 0 GFADRL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2ccc(Br)s2)c1 ZINC000115772314 601987674 /nfs/dbraw/zinc/98/76/74/601987674.db2.gz QMOBRQIJAAOAOV-UHFFFAOYSA-N -2 0 376.253 2.939 20 0 GFADRL Cc1cc(S(=O)(=O)Nc2ccc(N(C)C(=O)[O-])cc2)cc(C(=O)[O-])c1C ZINC000832904626 602113473 /nfs/dbraw/zinc/11/34/73/602113473.db2.gz WCUHANVFNOJYET-UHFFFAOYSA-N -2 0 378.406 2.917 20 0 GFADRL CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cs2)cc1 ZINC000829658675 602117048 /nfs/dbraw/zinc/11/70/48/602117048.db2.gz MLYJTOZHYRFZGV-UHFFFAOYSA-N -2 0 382.463 2.729 20 0 GFADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cc(-c3cccc(F)c3F)[nH]n2)c1 ZINC000471115566 602119212 /nfs/dbraw/zinc/11/92/12/602119212.db2.gz JCXCRBPASYSKNG-UHFFFAOYSA-N -2 0 379.344 2.854 20 0 GFADRL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1cc(-c2cccc(F)c2F)[nH]n1 ZINC000833318471 602119666 /nfs/dbraw/zinc/11/96/66/602119666.db2.gz QALFUAMJDKYOTJ-UHFFFAOYSA-N -2 0 397.334 2.993 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2cc(-c3cccc(F)c3F)[nH]n2)cc1C(=O)[O-] ZINC000833026686 602119743 /nfs/dbraw/zinc/11/97/43/602119743.db2.gz HUMNNMNJOALURV-UHFFFAOYSA-N -2 0 383.332 2.755 20 0 GFADRL CC(C)Oc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)CC(=O)[O-])c2ccccc12 ZINC000827058583 602190394 /nfs/dbraw/zinc/19/03/94/602190394.db2.gz LAIPUAFBIHUHRK-GFCCVEGCSA-N -2 0 379.434 2.543 20 0 GFADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000740046635 602244195 /nfs/dbraw/zinc/24/41/95/602244195.db2.gz RFTGIIDLGPKWFE-UHFFFAOYSA-N -2 0 394.380 2.674 20 0 GFADRL O=C([O-])NCCOc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2F)c1 ZINC000740669423 602448368 /nfs/dbraw/zinc/44/83/68/602448368.db2.gz ZVTWWCLGNCRDBZ-UHFFFAOYSA-N -2 0 388.804 2.926 20 0 GFADRL O=C([O-])Nc1ccc([N-]S(=O)(=O)c2cc3c(cc2Cl)NC(=O)C3)cc1 ZINC000738666305 602646024 /nfs/dbraw/zinc/64/60/24/602646024.db2.gz DWDDFSKXPNQRBU-UHFFFAOYSA-N -2 0 381.797 2.725 20 0 GFADRL O=C([O-])NC1CCN(C(=O)c2cc(Br)cc(Cl)c2[O-])CC1 ZINC000740588697 603148904 /nfs/dbraw/zinc/14/89/04/603148904.db2.gz WIBRFHZFKCXOST-UHFFFAOYSA-N -2 0 377.622 2.680 20 0 GFADRL COC(=O)C=Cc1ccc(S(=O)(=O)[N-]c2ccccc2NC(=O)[O-])cc1 ZINC000828646315 603631141 /nfs/dbraw/zinc/63/11/41/603631141.db2.gz HLGLCHPYFQSGDO-DHZHZOJOSA-N -2 0 376.390 2.764 20 0 GFADRL CCc1ccccc1-n1cc([O-])c(C(=O)N(C)C2CCC(NC(=O)[O-])CC2)n1 ZINC000827599209 603840884 /nfs/dbraw/zinc/84/08/84/603840884.db2.gz FPTLIUABQMFIIQ-UHFFFAOYSA-N -2 0 386.452 2.791 20 0 GFADRL CCCCN(CCCC)S(=O)(=O)[N-]C(=O)c1ccc(C)c(NC(=O)[O-])c1 ZINC000826829627 604252429 /nfs/dbraw/zinc/25/24/29/604252429.db2.gz DPOFEMCWVNTJDQ-UHFFFAOYSA-N -2 0 385.486 2.962 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@@H](C)[C@H]2CCCN(C(=O)[O-])C2)c(C)c1 ZINC000830414317 604394577 /nfs/dbraw/zinc/39/45/77/604394577.db2.gz JAOYZUQAEWJUHJ-HIFRSBDPSA-N -2 0 382.482 2.525 20 0 GFADRL Cc1ccc(-c2nnc([N-]S(=O)(=O)c3csnc3C(=O)[O-])s2)c(C)c1 ZINC000832907760 604402495 /nfs/dbraw/zinc/40/24/95/604402495.db2.gz LGMDCKUHJNJNPF-UHFFFAOYSA-N -2 0 396.475 2.777 20 0 GFADRL CC(=O)N(Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)cc1)C1CC1 ZINC000266819797 604503487 /nfs/dbraw/zinc/50/34/87/604503487.db2.gz YZCATIGQTIMBGF-UHFFFAOYSA-N -2 0 392.433 2.598 20 0 GFADRL Cc1cc([C@@H](C)OC(=O)c2ccc(F)cc2[N-]S(C)(=O)=O)oc1C(=O)[O-] ZINC000832873231 604568680 /nfs/dbraw/zinc/56/86/80/604568680.db2.gz AHFBIZSKGLJLRN-SECBINFHSA-N -2 0 385.369 2.715 20 0 GFADRL Cc1cc2cccnc2c(S(=O)(=O)[N-]c2nc(CCC(=O)[O-])cs2)c1 ZINC000832904234 604622999 /nfs/dbraw/zinc/62/29/99/604622999.db2.gz AQVQPVKOGXIQSX-UHFFFAOYSA-N -2 0 377.447 2.818 20 0 GFADRL O=C([O-])CCc1csc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)n1 ZINC000833244025 604626354 /nfs/dbraw/zinc/62/63/54/604626354.db2.gz OXPZUEKGDOBUOH-UHFFFAOYSA-N -2 0 380.369 2.980 20 0 GFADRL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000489556487 604766456 /nfs/dbraw/zinc/76/64/56/604766456.db2.gz KLSPWYGZKPDGTP-UHFFFAOYSA-N -3 0 397.380 2.810 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2cc(C3CCCC3)[nH]n2)c(OC)c1C(=O)[O-] ZINC000833734780 604862131 /nfs/dbraw/zinc/86/21/31/604862131.db2.gz WCVXZFKWNZYNPZ-UHFFFAOYSA-N -2 0 395.437 2.584 20 0 GFADRL CC1(C)Cc2nc([N-]S(=O)(=O)Cc3cccc(C(=O)[O-])c3)sc2C(=O)C1 ZINC000833556289 605011000 /nfs/dbraw/zinc/01/10/00/605011000.db2.gz QZSOXAPQATWRRQ-UHFFFAOYSA-N -2 0 394.474 2.938 20 0 GFADRL C[C@@H](CCCc1ccccc1)C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000833514909 605086920 /nfs/dbraw/zinc/08/69/20/605086920.db2.gz FUSLUBMGBKYQIB-AWEZNQCLSA-N -2 0 375.446 2.849 20 0 GFADRL Cc1cc(N2CCSCC2)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000833746114 605188348 /nfs/dbraw/zinc/18/83/48/605188348.db2.gz NYJPTYCLQHHQEB-UHFFFAOYSA-N -2 0 382.463 2.640 20 0 GFADRL CCOc1ccc(C[C@@H](CNC(=O)c2cccc(NC(=O)[O-])c2)C(=O)[O-])cc1 ZINC000833664285 605198472 /nfs/dbraw/zinc/19/84/72/605198472.db2.gz PBCJBFISMFVMQW-HNNXBMFYSA-N -2 0 386.404 2.849 20 0 GFADRL CC(C)N1CCc2nc([N-]S(=O)(=O)c3cccc(F)c3C(=O)[O-])sc2C1 ZINC000833501839 605343603 /nfs/dbraw/zinc/34/36/03/605343603.db2.gz KJIRRVZAQANVDN-UHFFFAOYSA-N -2 0 399.469 2.548 20 0 GFADRL O=C([O-])N1CCC[C@H]1CCC(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000833998242 605482988 /nfs/dbraw/zinc/48/29/88/605482988.db2.gz LRUAOICCEOJLBJ-HNNXBMFYSA-N -2 0 376.434 2.567 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2csnc2C(=O)[O-])cnc1N1CCCC[C@@H]1C ZINC000833746722 605586550 /nfs/dbraw/zinc/58/65/50/605586550.db2.gz GZFDATIXIHJRIJ-NSHDSACASA-N -2 0 396.494 2.724 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2cnc3c(c2)C[C@@H](NC(=O)[O-])CC3)c(C)s1 ZINC000833901118 606078405 /nfs/dbraw/zinc/07/84/05/606078405.db2.gz JLJXLEFGRIKUJQ-LBPRGKRZSA-N -2 0 381.479 2.686 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2cnc(Br)cc2C)cc1C(=O)[O-] ZINC000832859087 660803413 /nfs/dbraw/zinc/80/34/13/660803413.db2.gz KWRUVZZAMOJBFY-UHFFFAOYSA-N -2 0 385.239 2.960 20 0 GFADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(Cl)c1OC ZINC000057123365 654801192 /nfs/dbraw/zinc/80/11/92/654801192.db2.gz OJOYMBIREXUFJL-UHFFFAOYSA-N -2 0 385.825 2.785 20 0 GFADRL COCCOc1ccc(F)cc1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000066585969 654908058 /nfs/dbraw/zinc/90/80/58/654908058.db2.gz QKEJBOCUUJGFCZ-UHFFFAOYSA-N -2 0 389.426 2.720 20 0 GFADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000267894598 654950783 /nfs/dbraw/zinc/95/07/83/654950783.db2.gz VSQHJIBFNHXKCP-UHFFFAOYSA-N -2 0 387.845 2.670 20 0 GFADRL Cc1ncc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)c(C(=O)[O-])c2)s1 ZINC000269180196 655000937 /nfs/dbraw/zinc/00/09/37/655000937.db2.gz XSBRVSJLGCXGJP-UHFFFAOYSA-N -2 0 399.519 2.504 20 0 GFADRL CCS(=O)(=O)[N-]c1cc(OC)ccc1S(=O)(=O)[N-]c1cscc1C ZINC000270492769 655046714 /nfs/dbraw/zinc/04/67/14/655046714.db2.gz KSFPQQUUOWSKIE-UHFFFAOYSA-N -2 0 390.508 2.628 20 0 GFADRL Cc1c(Br)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)nc1 ZINC000165823765 655140679 /nfs/dbraw/zinc/14/06/79/655140679.db2.gz XNONOZVOFMCOFZ-UHFFFAOYSA-N -2 0 389.202 2.791 20 0 GFADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1sc2cc(F)ccc2c1Cl ZINC000739696163 655694272 /nfs/dbraw/zinc/69/42/72/655694272.db2.gz HOALEZHZDGIRGI-UHFFFAOYSA-N -2 0 379.818 2.618 20 0 GFADRL Cc1nnc(-c2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])sc3C)cc2)o1 ZINC000740700724 655698318 /nfs/dbraw/zinc/69/83/18/655698318.db2.gz DESCGDIEYDQMKB-UHFFFAOYSA-N -2 0 379.419 2.914 20 0 GFADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000742232200 655712691 /nfs/dbraw/zinc/71/26/91/655712691.db2.gz BRMFVACBPWIBDB-UHFFFAOYSA-N -2 0 377.205 2.896 20 0 GFADRL COC(=O)c1cc(Cl)cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC000743262103 655727447 /nfs/dbraw/zinc/72/74/47/655727447.db2.gz PXMLWBDWMDSBTA-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL COC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Cl)c1 ZINC000753767945 655858068 /nfs/dbraw/zinc/85/80/68/655858068.db2.gz CNZGDORESKTYKC-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])c1Cl ZINC000753773755 655858341 /nfs/dbraw/zinc/85/83/41/655858341.db2.gz CEEOBNPPIDQVKC-UHFFFAOYSA-N -3 0 387.772 2.985 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)c(C(=O)[O-])c1 ZINC000758162976 655924746 /nfs/dbraw/zinc/92/47/46/655924746.db2.gz JIQSCCRWCDGVPJ-UHFFFAOYSA-N -2 0 377.205 2.896 20 0 GFADRL Cc1cccc(C(N)=O)c1[N-]S(=O)(=O)c1cc(C)c(Cl)c(C(=O)[O-])c1 ZINC000759096288 655947291 /nfs/dbraw/zinc/94/72/91/655947291.db2.gz UHNXZUVIACAUNJ-UHFFFAOYSA-N -2 0 382.825 2.555 20 0 GFADRL Cc1cc(S(=O)(=O)Nc2ccc(F)cc2C(=O)[O-])cc(C(=O)[O-])c1Cl ZINC000759093509 655947398 /nfs/dbraw/zinc/94/73/98/655947398.db2.gz CIQGFBUDXAUWPM-UHFFFAOYSA-N -2 0 387.772 2.985 20 0 GFADRL O=C([O-])c1ccc([O-])c(S(=O)(=O)NNc2c(Cl)cc(F)cc2Cl)c1 ZINC000768054485 656231561 /nfs/dbraw/zinc/23/15/61/656231561.db2.gz UZEDPDUDXFQNDF-UHFFFAOYSA-N -2 0 395.195 2.842 20 0 GFADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000776520997 656750561 /nfs/dbraw/zinc/75/05/61/656750561.db2.gz SKHVLQAJOZANHA-HZGVNTEJSA-N -2 0 379.278 2.701 20 0 GFADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)c(Cl)c2F)c1 ZINC000779824553 656945894 /nfs/dbraw/zinc/94/58/94/656945894.db2.gz CUFKXPTZRUQULH-UHFFFAOYSA-N -3 0 391.735 2.815 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(OC)cc2Cl)cc1F ZINC000790393387 657967077 /nfs/dbraw/zinc/96/70/77/657967077.db2.gz FHAGGWDYDASZJO-UHFFFAOYSA-N -2 0 389.788 2.995 20 0 GFADRL COc1cc(F)c(F)cc1[N-]S(=O)(=O)c1cc(C)c(F)c(C(=O)[O-])c1 ZINC000811715248 660014713 /nfs/dbraw/zinc/01/47/13/660014713.db2.gz SXSJIPBXSAEWBG-UHFFFAOYSA-N -2 0 375.324 2.920 20 0 GFADRL O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1ccc(F)cc1Cl ZINC000852735798 661872972 /nfs/dbraw/zinc/87/29/72/661872972.db2.gz JPLVAHOPQFQUMO-VXGBXAGGSA-N -2 0 382.741 2.575 20 0 GFADRL O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1c(F)cccc1Cl ZINC000852736338 661873115 /nfs/dbraw/zinc/87/31/15/661873115.db2.gz LUOROPRBDXLPAB-VXGBXAGGSA-N -2 0 382.741 2.575 20 0 GFADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000853071005 661880833 /nfs/dbraw/zinc/88/08/33/661880833.db2.gz YDIPHXDNSXNPMK-CDUCUWFYSA-N -2 0 380.171 2.989 20 0 GFADRL O=C([O-])[C@@H]1CCCCC[C@@H]1[N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000863415988 662328803 /nfs/dbraw/zinc/32/88/03/662328803.db2.gz AVNALJRXZQMWJF-RQJHMYQMSA-N -2 0 387.326 2.694 20 0 GFADRL O=S(=O)([O-])c1cc(O)c2c(c1)cc(S(=O)(=O)[O-])cc2Nc1ccccc1 ZINC000090711504 211187200 /nfs/dbraw/zinc/18/72/00/211187200.db2.gz VLRYLEVQHPQKBV-UHFFFAOYSA-N -2 0 395.414 2.782 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2ccccc2N2CCCC2=O)sc1C(=O)[O-] ZINC000045774477 551147961 /nfs/dbraw/zinc/14/79/61/551147961.db2.gz UQWKPBNUALKEKA-UHFFFAOYSA-N -2 0 380.447 2.682 20 0 GFADRL COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000047906678 551154271 /nfs/dbraw/zinc/15/42/71/551154271.db2.gz XCMMJIMGIIQVET-UHFFFAOYSA-N -2 0 385.825 2.921 20 0 GFADRL CNC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000055651724 551174420 /nfs/dbraw/zinc/17/44/20/551174420.db2.gz UPVQUJLSEHXBLP-UHFFFAOYSA-N -2 0 382.825 2.507 20 0 GFADRL Cc1cc(C)c(S(=O)(=O)[N-]c2cnn(CC(F)(F)F)c2)cc1C(=O)[O-] ZINC000118301532 551214452 /nfs/dbraw/zinc/21/44/52/551214452.db2.gz JASVBIKLFSQUES-UHFFFAOYSA-N -2 0 377.344 2.561 20 0 GFADRL Cn1cc(S(=O)(=O)[N-]c2ccc(Cl)c(Br)c2)cc1C(=O)[O-] ZINC000126550476 551330915 /nfs/dbraw/zinc/33/09/15/551330915.db2.gz JYKSFJIYLFAIEN-UHFFFAOYSA-N -2 0 393.646 2.940 20 0 GFADRL Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000159317456 551563459 /nfs/dbraw/zinc/56/34/59/551563459.db2.gz TTWQMLHXRYKKOD-UHFFFAOYSA-N -2 0 381.219 2.833 20 0 GFADRL CCC(CC)(CNS(=O)(=O)c1cc(C)c(Br)s1)C(=O)[O-] ZINC000165042327 551628466 /nfs/dbraw/zinc/62/84/66/551628466.db2.gz YUAHIVOIRJAEQL-UHFFFAOYSA-N -2 0 384.317 2.988 20 0 GFADRL Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(F)cc1[N-]S(C)(=O)=O ZINC000179765724 552202486 /nfs/dbraw/zinc/20/24/86/552202486.db2.gz VBSDYXMRXJBKPQ-UHFFFAOYSA-N -2 0 392.861 2.960 20 0 GFADRL COC(=O)c1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)ccc1Cl ZINC000320444100 563447010 /nfs/dbraw/zinc/44/70/10/563447010.db2.gz ULYYYTCCKWSAGH-UHFFFAOYSA-N -2 0 375.811 2.687 20 0 GFADRL COc1ccc(Br)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000387564516 563519815 /nfs/dbraw/zinc/51/98/15/563519815.db2.gz UZXLLTPVLNAPCM-UHFFFAOYSA-N -2 0 390.211 2.858 20 0 GFADRL CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)c(F)c1 ZINC000392941787 563527713 /nfs/dbraw/zinc/52/77/13/563527713.db2.gz JGPFPDJSPVPVKK-UHFFFAOYSA-N -2 0 386.788 2.937 20 0 GFADRL Cc1nc(=NC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)s[n-]1 ZINC000430644999 563546440 /nfs/dbraw/zinc/54/64/40/563546440.db2.gz BIGXIUCNRMFYCH-UHFFFAOYSA-N -2 0 399.657 2.778 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2cc(-c3cccs3)[nH]n2)cc1C(=O)[O-] ZINC000444420246 563831272 /nfs/dbraw/zinc/83/12/72/563831272.db2.gz QNZHXBFCLCYFMG-UHFFFAOYSA-N -2 0 379.419 2.646 20 0 GFADRL C[C@H](Sc1ccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)cc1)C(=O)[O-] ZINC000507567150 564232240 /nfs/dbraw/zinc/23/22/40/564232240.db2.gz PCZGRQZGRNCIQS-JTQLQIEISA-N -2 0 381.431 2.751 20 0 GFADRL COC(=O)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc2[nH]ccc21 ZINC000566876754 564347940 /nfs/dbraw/zinc/34/79/40/564347940.db2.gz OIXSTBXJBLTESP-UHFFFAOYSA-N -2 0 380.403 2.515 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2O)c(C)c1OCC(=O)[O-] ZINC000513817271 564440272 /nfs/dbraw/zinc/44/02/72/564440272.db2.gz DYWUWUWTSKTTTG-UHFFFAOYSA-N -2 0 385.825 2.927 20 0 GFADRL COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(CC(=O)[O-])cc1 ZINC000546540434 564458264 /nfs/dbraw/zinc/45/82/64/564458264.db2.gz PWTRIRJSUGQPIS-UHFFFAOYSA-N -2 0 383.809 2.555 20 0 GFADRL CC(C)NC(=O)Nc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000515631394 564484078 /nfs/dbraw/zinc/48/40/78/564484078.db2.gz YEENOITYXONHPB-UHFFFAOYSA-N -2 0 383.451 2.777 20 0 GFADRL COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1C ZINC000516016453 564491702 /nfs/dbraw/zinc/49/17/02/564491702.db2.gz VNNJZRILFOYYLQ-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(F)cc1C(=O)[O-] ZINC000547547193 564492772 /nfs/dbraw/zinc/49/27/72/564492772.db2.gz SKJDYQHTOKXLHD-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)c(OC)cc1Cl ZINC000481437460 564512297 /nfs/dbraw/zinc/51/22/97/564512297.db2.gz PVGLQZXEIQPZDN-UHFFFAOYSA-N -2 0 387.797 2.562 20 0 GFADRL COc1cc(Cl)c(S(=O)(=O)N[C@H]2CCC[C@]2(C)C(=O)[O-])cc1Cl ZINC000547889672 564516649 /nfs/dbraw/zinc/51/66/49/564516649.db2.gz QDMGXQVYAZBVGC-JSGCOSHPSA-N -2 0 382.265 2.924 20 0 GFADRL O=C([O-])[C@H](CC1CCCC1)NS(=O)(=O)c1ccc(F)cc1Br ZINC000547893114 564516943 /nfs/dbraw/zinc/51/69/43/564516943.db2.gz XTNNHTICMILHNV-LBPRGKRZSA-N -2 0 394.262 2.900 20 0 GFADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OC(F)F)cc1 ZINC000481954599 564528915 /nfs/dbraw/zinc/52/89/15/564528915.db2.gz BZRHWNZEWJJXJB-UHFFFAOYSA-N -2 0 375.324 2.855 20 0 GFADRL CCOc1cc([N-]S(=O)(=O)[C@H](C)C(F)(F)F)c(C(=O)[O-])cc1OCC ZINC000548208392 564536864 /nfs/dbraw/zinc/53/68/64/564536864.db2.gz WEAWNRKRKHMDHN-MRVPVSSYSA-N -2 0 385.360 2.875 20 0 GFADRL CCn1cc(S(=O)(=O)[N-]c2ccc(C)cc2SCCC(=O)[O-])nc1C ZINC000484495892 564589356 /nfs/dbraw/zinc/58/93/56/564589356.db2.gz HBDPAQZCNURHCS-UHFFFAOYSA-N -2 0 383.495 2.887 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc(C(F)(F)F)c2)cs1 ZINC000520768071 564613121 /nfs/dbraw/zinc/61/31/21/564613121.db2.gz UDGCEIBCGVOYGY-UHFFFAOYSA-N -3 0 395.336 2.964 20 0 GFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cncc(F)c2)c(OC(F)(F)F)c1 ZINC000488278240 564709498 /nfs/dbraw/zinc/70/94/98/564709498.db2.gz AHFVJZVVIFXYEO-UHFFFAOYSA-N -2 0 380.275 2.618 20 0 GFADRL COC(=O)c1c(C)cccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000489729042 564750674 /nfs/dbraw/zinc/75/06/74/564750674.db2.gz QRHAAYQYSOXNDN-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL CNC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000489733387 564750979 /nfs/dbraw/zinc/75/09/79/564750979.db2.gz FHBICZMPJBSQDU-UHFFFAOYSA-N -2 0 382.825 2.507 20 0 GFADRL COCCOc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000489743051 564751586 /nfs/dbraw/zinc/75/15/86/564751586.db2.gz KBIFKLSYBHQSNX-UHFFFAOYSA-N -2 0 385.825 2.864 20 0 GFADRL CC[C@H](Cc1ccc([N-]S(=O)(=O)c2cc(Cl)cnc2N)cc1)C(=O)[O-] ZINC000463776781 564889913 /nfs/dbraw/zinc/88/99/13/564889913.db2.gz HNWOHPWPHTXAPU-LLVKDONJSA-N -2 0 383.857 2.771 20 0 GFADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2ccc(F)cc2Cl)c1OC ZINC000467318791 564960968 /nfs/dbraw/zinc/96/09/68/564960968.db2.gz DXUMRTDJNFAZPY-UHFFFAOYSA-N -2 0 389.788 2.995 20 0 GFADRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000505129934 565049547 /nfs/dbraw/zinc/04/95/47/565049547.db2.gz RAJORJDVOVEBNU-UHFFFAOYSA-N -3 0 391.810 2.607 20 0 GFADRL CCOC(=O)c1cnc(NC(=O)c2cc(Br)cc(Cl)c2[O-])[n-]1 ZINC000585682101 565105636 /nfs/dbraw/zinc/10/56/36/565105636.db2.gz GOJXMHSZQMKRTK-UHFFFAOYSA-N -2 0 388.605 2.960 20 0 GFADRL CCc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2OCCOC)s1 ZINC000629323385 565842686 /nfs/dbraw/zinc/84/26/86/565842686.db2.gz FKOZGDGRSGOBRR-UHFFFAOYSA-N -2 0 385.463 2.835 20 0 GFADRL Cc1cccc([N-]S(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2)c1O ZINC000677804732 565984627 /nfs/dbraw/zinc/98/46/27/565984627.db2.gz JTPFAOOQIKYEJI-UHFFFAOYSA-N -2 0 386.223 2.962 20 0 GFADRL COC(=O)c1csc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)c1C ZINC000611443694 566130119 /nfs/dbraw/zinc/13/01/19/566130119.db2.gz OVDCYVSZMFPDPL-UHFFFAOYSA-N -2 0 387.410 2.790 20 0 GFADRL O=C([O-])Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000819626278 597316589 /nfs/dbraw/zinc/31/65/89/597316589.db2.gz ONJVSQVEVYNJLZ-UHFFFAOYSA-N -3 0 387.772 2.605 20 0 GFADRL COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccccc1CC(=O)[O-] ZINC000820677739 597385948 /nfs/dbraw/zinc/38/59/48/597385948.db2.gz OZPAXZHRIFAMIH-UHFFFAOYSA-N -2 0 383.809 2.555 20 0 GFADRL CC(C)c1nc(-c2ccccc2[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)n[nH]1 ZINC000736523022 599737379 /nfs/dbraw/zinc/73/73/79/599737379.db2.gz PYOUREBQCOECRC-UHFFFAOYSA-N -2 0 376.394 2.687 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)ccc1-n1cccc1C(=O)[O-] ZINC000738463645 599740016 /nfs/dbraw/zinc/74/00/16/599740016.db2.gz NZNHRTSAROWTCE-UHFFFAOYSA-N -3 0 390.373 2.576 20 0 GFADRL O=C([O-])C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)c2ccccc2S1 ZINC000738564311 599753627 /nfs/dbraw/zinc/75/36/27/599753627.db2.gz ONKATHQUYFRHLC-GFCCVEGCSA-N -2 0 393.442 2.529 20 0 GFADRL CCc1ccc([C@@H](C)C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000737256011 599793228 /nfs/dbraw/zinc/79/32/28/599793228.db2.gz DZAMJTQLNNNJJF-CYBMUJFWSA-N -2 0 375.446 2.697 20 0 GFADRL Cc1cc(C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc(C)c1OC(F)F ZINC000738332640 599800583 /nfs/dbraw/zinc/80/05/83/599800583.db2.gz MCLCRUZEJGXJCJ-UHFFFAOYSA-N -2 0 399.371 2.722 20 0 GFADRL CCCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C(=O)OC)cc1 ZINC000737051666 599813101 /nfs/dbraw/zinc/81/31/01/599813101.db2.gz YGCJZMDBISTNIH-UHFFFAOYSA-N -2 0 383.447 2.986 20 0 GFADRL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(SC)c1 ZINC000737717889 599814968 /nfs/dbraw/zinc/81/49/68/599814968.db2.gz PBYRTNMPAFYCPV-UHFFFAOYSA-N -2 0 387.460 2.756 20 0 GFADRL O=C([O-])c1cccc(Cc2cnc(NC(=O)c3ccc(C(=O)[O-])nc3)s2)c1 ZINC000740229123 599841329 /nfs/dbraw/zinc/84/13/29/599841329.db2.gz XRSKBITZYPIEAN-UHFFFAOYSA-N -2 0 383.385 2.778 20 0 GFADRL Cc1cc(NS(=O)(=O)c2ccc(C)c(OCC(=O)[O-])c2C)ccc1C(=O)[O-] ZINC000476741137 599925008 /nfs/dbraw/zinc/92/50/08/599925008.db2.gz QTBMARKSKDJCOM-UHFFFAOYSA-N -2 0 393.417 2.574 20 0 GFADRL CC1=C(C(=O)[O-])[C@@H](c2ccc(-n3cccn3)cc2)NC(=O)N1CCCCC(=O)[O-] ZINC000736747466 599988932 /nfs/dbraw/zinc/98/89/32/599988932.db2.gz SKKBCZGXRPYDNI-GOSISDBHSA-N -2 0 398.419 2.552 20 0 GFADRL O=C([O-])c1sc2ccccc2c1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)NC2 ZINC000740316614 600053559 /nfs/dbraw/zinc/05/35/59/600053559.db2.gz NJOPTKRYGQGDMN-UHFFFAOYSA-N -2 0 388.426 2.644 20 0 GFADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2nc3cc4c(cc3s2)OCCO4)c1 ZINC000738688144 600054556 /nfs/dbraw/zinc/05/45/56/600054556.db2.gz GTXQAMBLZQCFJP-UHFFFAOYSA-N -2 0 392.414 2.567 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)n(-c2ccccc2F)n1 ZINC000738241332 600055820 /nfs/dbraw/zinc/05/58/20/600055820.db2.gz XHRCNRZQRBBRDM-UHFFFAOYSA-N -2 0 375.381 2.819 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnn(-c3ccccc3Cl)c2)ccc1O ZINC000740089720 600058442 /nfs/dbraw/zinc/05/84/42/600058442.db2.gz JHFXMXMVSQETFV-UHFFFAOYSA-N -2 0 393.808 2.730 20 0 GFADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000737257872 600099986 /nfs/dbraw/zinc/09/99/86/600099986.db2.gz QUQSOEFMZANIHE-UHFFFAOYSA-N -2 0 382.369 2.977 20 0 GFADRL COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1 ZINC000737696806 600230617 /nfs/dbraw/zinc/23/06/17/600230617.db2.gz KONGQQUIMIETME-UHFFFAOYSA-N -2 0 385.344 2.559 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)cc2)c(F)cc1F ZINC000740089776 600231462 /nfs/dbraw/zinc/23/14/62/600231462.db2.gz KZAGJJKWWNAFEB-UHFFFAOYSA-N -2 0 396.371 2.591 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)cc2)c(F)cc1F ZINC000740089890 600340754 /nfs/dbraw/zinc/34/07/54/600340754.db2.gz MKVWEJGIWDQZMW-UHFFFAOYSA-N -2 0 379.344 2.650 20 0 GFADRL CC(C)(CCC(=O)[O-])NC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000262595744 600385008 /nfs/dbraw/zinc/38/50/08/600385008.db2.gz IVAUJLHUIIYCHV-UHFFFAOYSA-N -2 0 396.490 2.922 20 0 GFADRL Cc1noc(COc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)cc2)n1 ZINC000510153782 600412126 /nfs/dbraw/zinc/41/21/26/600412126.db2.gz YIYXFQNCXWSSAM-UHFFFAOYSA-N -2 0 395.418 2.518 20 0 GFADRL COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(Cl)c1 ZINC000057178031 600482897 /nfs/dbraw/zinc/48/28/97/600482897.db2.gz WDPNJOSMIYYTTI-UHFFFAOYSA-N -2 0 386.769 2.756 20 0 GFADRL COC(=O)c1ccncc1[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000737714245 600512620 /nfs/dbraw/zinc/51/26/20/600512620.db2.gz YKJFENYXMLVBGM-UHFFFAOYSA-N -2 0 392.414 2.582 20 0 GFADRL CC(C)[C@@H](C)CNS(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000736354750 600588334 /nfs/dbraw/zinc/58/83/34/600588334.db2.gz JDKHUUGBAUCXNR-QMMMGPOBSA-N -2 0 382.251 2.857 20 0 GFADRL CC(C)[C@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000736359066 600658116 /nfs/dbraw/zinc/65/81/16/600658116.db2.gz TUHRTMVWGHABIN-SFHVURJKSA-N -2 0 389.473 2.846 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2ccc(Br)c(F)c2)c(C(=O)[O-])[nH]1 ZINC000232293069 600680651 /nfs/dbraw/zinc/68/06/51/600680651.db2.gz KSDBBMZUEBFHAO-UHFFFAOYSA-N -2 0 377.191 2.724 20 0 GFADRL CCc1nnc(-c2ccc([N-]S(=O)(=O)c3ccsc3C(=O)[O-])cc2)o1 ZINC000830328758 600690763 /nfs/dbraw/zinc/69/07/63/600690763.db2.gz SQYBFJRCQQYQQF-UHFFFAOYSA-N -2 0 379.419 2.860 20 0 GFADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)c2cc(Oc3ccccc3)ccn2)c1 ZINC000833333429 600801892 /nfs/dbraw/zinc/80/18/92/600801892.db2.gz NAVVTVMJGSIURN-UHFFFAOYSA-N -2 0 398.396 2.691 20 0 GFADRL O=C([O-])CCCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1 ZINC000833228015 600817073 /nfs/dbraw/zinc/81/70/73/600817073.db2.gz XUCVAOBQQWMEBS-UHFFFAOYSA-N -3 0 397.380 2.568 20 0 GFADRL Cn1cc(S(=O)(=O)[N-]c2ncc(Cc3ccccc3F)s2)cc1C(=O)[O-] ZINC000833055677 600828499 /nfs/dbraw/zinc/82/84/99/600828499.db2.gz LYLZIKNSPQRABV-UHFFFAOYSA-N -2 0 395.437 2.711 20 0 GFADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1N1CCOC1=O ZINC000746055251 600867971 /nfs/dbraw/zinc/86/79/71/600867971.db2.gz AXMBWYRDHLEEOJ-UHFFFAOYSA-N -2 0 382.419 2.512 20 0 GFADRL C[C@@H]1CN(c2ccccc2[N-]S(=O)(=O)c2csc(C(=O)[O-])c2)C[C@H](C)O1 ZINC000828499808 600980584 /nfs/dbraw/zinc/98/05/84/600980584.db2.gz ISGWRUWVUGWJGG-TXEJJXNPSA-N -2 0 396.490 2.861 20 0 GFADRL CC(C)n1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCCC2)cn1 ZINC000827186435 600980839 /nfs/dbraw/zinc/98/08/39/600980839.db2.gz IHYKFDRWRPOKRV-UHFFFAOYSA-N -2 0 378.454 2.563 20 0 GFADRL CCc1cnc([N-]S(=O)(=O)c2cc(/C=C/C(=O)[O-])cc(OC)c2OC)s1 ZINC000830299942 600985432 /nfs/dbraw/zinc/98/54/32/600985432.db2.gz ZDUDBNDGAGUYNO-AATRIKPKSA-N -2 0 398.462 2.621 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)c(C(=O)[O-])c2)o1 ZINC000833323623 601127722 /nfs/dbraw/zinc/12/77/22/601127722.db2.gz UIZBCRLWYKFKBM-UHFFFAOYSA-N -3 0 380.161 2.784 20 0 GFADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)[N-]c2nc(C(C)C)cs2)c1 ZINC000831370830 601195947 /nfs/dbraw/zinc/19/59/47/601195947.db2.gz QNDXMTUGEVLLQA-UHFFFAOYSA-N -2 0 384.435 2.552 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cc(-c2cccs2)[nH]n1 ZINC000831939621 601200680 /nfs/dbraw/zinc/20/06/80/601200680.db2.gz RCGLUHRSSITPPX-UHFFFAOYSA-N -2 0 385.448 2.707 20 0 GFADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCCC[C@@H]3O)cc2)c1 ZINC000521313168 601203676 /nfs/dbraw/zinc/20/36/76/601203676.db2.gz NRJSYVVVRPUIJR-LSDHHAIUSA-N -2 0 397.474 2.929 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(O[C@H]3CCCC[C@@H]3O)cc2)s1 ZINC000833323572 601204249 /nfs/dbraw/zinc/20/42/49/601204249.db2.gz OIIZPEVFVFLXOE-KBPBESRZSA-N -2 0 397.474 2.929 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cc(C)cc(C)c1C(=O)[O-] ZINC000831945903 601204633 /nfs/dbraw/zinc/20/46/33/601204633.db2.gz LRUPFLAVJJSPES-UHFFFAOYSA-N -3 0 385.419 2.571 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Br)c2O)o1 ZINC000833323618 601205370 /nfs/dbraw/zinc/20/53/70/601205370.db2.gz TXHLEELFZJDHSU-UHFFFAOYSA-N -2 0 396.602 2.900 20 0 GFADRL Cc1cc(C)n(-c2ccccc2[N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)n1 ZINC000832880148 601232024 /nfs/dbraw/zinc/23/20/24/601232024.db2.gz OUEDVTAJRYUJOH-UHFFFAOYSA-N -2 0 375.406 2.890 20 0 GFADRL CCOC(=O)N(C)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)cc1 ZINC000829857483 601232767 /nfs/dbraw/zinc/23/27/67/601232767.db2.gz MBMGMJJMQAYTMI-UHFFFAOYSA-N -2 0 382.394 2.680 20 0 GFADRL COCCCOc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1 ZINC000751142520 601234848 /nfs/dbraw/zinc/23/48/48/601234848.db2.gz MEEVRRMKRFSVOG-UHFFFAOYSA-N -2 0 383.397 2.740 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnn(Cc3ccccc3)c2)ccc1F ZINC000048382975 601325422 /nfs/dbraw/zinc/32/54/22/601325422.db2.gz AIDMNFPICWOIQV-UHFFFAOYSA-N -2 0 375.381 2.570 20 0 GFADRL COCCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000831767602 601326554 /nfs/dbraw/zinc/32/65/54/601326554.db2.gz PEPWCEMYEGMISM-UXBLZVDNSA-N -2 0 391.445 2.919 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(-c3ncc[nH]3)cc2)c(F)cc1F ZINC000833304102 601361936 /nfs/dbraw/zinc/36/19/36/601361936.db2.gz QHPXMCSIMPBBBN-UHFFFAOYSA-N -2 0 379.344 2.854 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2nnc(Cc3cccc(F)c3)s2)cs1 ZINC000833306102 601503882 /nfs/dbraw/zinc/50/38/82/601503882.db2.gz DPNZTCKCCKCMDH-UHFFFAOYSA-N -2 0 399.450 2.829 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2nnc(Cc3cccc(F)c3)s2)s1 ZINC000833324777 601504386 /nfs/dbraw/zinc/50/43/86/601504386.db2.gz ZUCUOVXSONHAEU-UHFFFAOYSA-N -2 0 399.450 2.829 20 0 GFADRL CCCc1ccc(-c2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])n(C)c3)n[nH]2)cc1 ZINC000444422513 601603885 /nfs/dbraw/zinc/60/38/85/601603885.db2.gz MVWUZIHFVCSFDB-UHFFFAOYSA-N -2 0 388.449 2.867 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3C)[nH]n2)cc1C(=O)[O-] ZINC000485879974 601604154 /nfs/dbraw/zinc/60/41/54/601604154.db2.gz GYDZZOHAYVIXKJ-UHFFFAOYSA-N -2 0 387.417 2.893 20 0 GFADRL Cc1cccc([N-]S(=O)(=O)c2ccc(Br)cc2C(=O)[O-])c1O ZINC000832972426 601604913 /nfs/dbraw/zinc/60/49/13/601604913.db2.gz BCYUHXOAIPOEMJ-UHFFFAOYSA-N -2 0 386.223 2.962 20 0 GFADRL COc1cc([N-]S(=O)(=O)c2cnc3ccsc3c2)c(C(=O)[O-])cc1OC ZINC000484584550 601782094 /nfs/dbraw/zinc/78/20/94/601782094.db2.gz DJCLFVXVDQWAEE-UHFFFAOYSA-N -2 0 394.430 2.813 20 0 GFADRL COC(=O)c1ccc([N-]S(=O)(=O)c2cnc3ccsc3c2)cc1C(=O)[O-] ZINC000831435311 601783247 /nfs/dbraw/zinc/78/32/47/601783247.db2.gz UQOWFDLSQOGMSS-UHFFFAOYSA-N -2 0 392.414 2.582 20 0 GFADRL CC(C)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])c1 ZINC000826669261 601834226 /nfs/dbraw/zinc/83/42/26/601834226.db2.gz DZXXUXCOONTEBH-UHFFFAOYSA-N -2 0 397.840 2.829 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1OC1CCCC1 ZINC000832419545 601834561 /nfs/dbraw/zinc/83/45/61/601834561.db2.gz LQKLEFKLDXNMDM-UHFFFAOYSA-N -2 0 398.462 2.972 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])c(C(F)(F)F)c1 ZINC000832419278 601835846 /nfs/dbraw/zinc/83/58/46/601835846.db2.gz GIJNZNBSLWERRE-UHFFFAOYSA-N -2 0 382.341 2.670 20 0 GFADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ccccc1OC[C@H]1CCCCO1 ZINC000833345397 601838417 /nfs/dbraw/zinc/83/84/17/601838417.db2.gz AUQJLKZQYJRFSK-LLVKDONJSA-N -2 0 398.462 2.590 20 0 GFADRL CCCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000470439947 601855025 /nfs/dbraw/zinc/85/50/25/601855025.db2.gz ZGYVNQCOUXHFBT-UHFFFAOYSA-N -2 0 383.397 2.879 20 0 GFADRL Cc1cc(S(=O)(=O)Nc2ccc(F)c(NC(=O)[O-])c2)cc(C(=O)[O-])c1F ZINC000832904637 601984773 /nfs/dbraw/zinc/98/47/73/601984773.db2.gz WJQMECZWPJDWNR-UHFFFAOYSA-N -2 0 386.332 2.862 20 0 GFADRL Cc1cnn(-c2ccc(S(=O)(=O)Nc3cccc(CC(=O)[O-])c3)cc2F)c1 ZINC000466290102 601986497 /nfs/dbraw/zinc/98/64/97/601986497.db2.gz PVCDGAUUIGTTBP-UHFFFAOYSA-N -2 0 389.408 2.748 20 0 GFADRL COC(=O)c1csc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC000760364932 602115206 /nfs/dbraw/zinc/11/52/06/602115206.db2.gz POXITFHGZCRIBB-UHFFFAOYSA-N -2 0 375.811 2.687 20 0 GFADRL C[C@@H](Oc1ccc(/C=C\c2nc3ccccc3c(=O)n2CC(=O)[O-])cc1)C(=O)[O-] ZINC000827884308 602149205 /nfs/dbraw/zinc/14/92/05/602149205.db2.gz BMYDADDDWWUJBY-BIRHUZIMSA-N -2 0 394.383 2.503 20 0 GFADRL O=C([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1nnc(-c2ccccn2)s1 ZINC000833317824 602307311 /nfs/dbraw/zinc/30/73/11/602307311.db2.gz JWJHSCDEJVSLCH-UHFFFAOYSA-N -2 0 396.837 2.753 20 0 GFADRL O=C([O-])c1cc2c(c(S(=O)(=O)Nc3ccc(C(=O)[O-])c(F)c3)c1)CCCC2 ZINC000533627205 602323261 /nfs/dbraw/zinc/32/32/61/602323261.db2.gz CQOSUWOFWQTDSA-UHFFFAOYSA-N -2 0 393.392 2.902 20 0 GFADRL CC(C)C[C@@H](NC(=O)[O-])c1noc(-c2ccc3c(c2)[n-]c(=S)n(C)c3=O)n1 ZINC000738817886 602410918 /nfs/dbraw/zinc/41/09/18/602410918.db2.gz UTVHYAVWUPXSEG-GFCCVEGCSA-N -2 0 389.437 2.627 20 0 GFADRL O=C([O-])N[C@H](CCC(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1)c1ccccc1 ZINC000740540551 602470815 /nfs/dbraw/zinc/47/08/15/602470815.db2.gz RUDQWYCPHMWTDB-OAHLLOKOSA-N -2 0 382.376 2.758 20 0 GFADRL CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2NC(=O)[O-])ccc1F ZINC000739480453 602653024 /nfs/dbraw/zinc/65/30/24/602653024.db2.gz NITYJIJPWXAXSN-UHFFFAOYSA-N -2 0 382.369 2.893 20 0 GFADRL O=C([O-])Nc1ccc(C(=O)[N-]S(=O)(=O)Cc2ccc(F)cc2)c(Cl)c1 ZINC000740700384 602960153 /nfs/dbraw/zinc/96/01/53/602960153.db2.gz KLSZLSZCBZOQQL-UHFFFAOYSA-N -2 0 386.788 2.829 20 0 GFADRL O=C([O-])NCCOc1cccc([N-]S(=O)(=O)c2cc(F)ccc2Cl)c1 ZINC000740668157 603288129 /nfs/dbraw/zinc/28/81/29/603288129.db2.gz PLQIIXLIEYMEQP-UHFFFAOYSA-N -2 0 388.804 2.926 20 0 GFADRL CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)c1cc(Cl)c(NC(=O)[O-])cc1OC ZINC000826730086 603445124 /nfs/dbraw/zinc/44/51/24/603445124.db2.gz WMZWLAMVXUTRNF-SECBINFHSA-N -2 0 392.861 2.934 20 0 GFADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CCCC[C@H]2[C@@H](C)NC(=O)[O-])n1 ZINC000830068100 603532680 /nfs/dbraw/zinc/53/26/80/603532680.db2.gz HYLSTVKOZIABMC-DOMZBBRYSA-N -2 0 390.415 2.676 20 0 GFADRL O=C([O-])Nc1ccc(CC(=O)[N-]S(=O)(=O)Cc2ccccc2Cl)cc1 ZINC000832841887 603678848 /nfs/dbraw/zinc/67/88/48/603678848.db2.gz RZPRRUFSUZFRCU-UHFFFAOYSA-N -2 0 382.825 2.619 20 0 GFADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CCC[C@@H]3CN(C)C(=O)[O-])n2)cc1 ZINC000824463632 603999356 /nfs/dbraw/zinc/99/93/56/603999356.db2.gz MMUAQXIGZUWPPE-MRXNPFEDSA-N -2 0 386.452 2.916 20 0 GFADRL CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(=O)c2ccc(NC(=O)[O-])cc2)c1 ZINC000825951483 604413469 /nfs/dbraw/zinc/41/34/69/604413469.db2.gz KRRZFQAESIECKD-UHFFFAOYSA-N -2 0 396.808 2.751 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]C(=O)C[C@@H](C)[C@@H]2CCCN(C(=O)[O-])C2)c(C)s1 ZINC000830133533 604415391 /nfs/dbraw/zinc/41/53/91/604415391.db2.gz WDPUVKNUUZMYNK-ZWNOBZJWSA-N -2 0 388.511 2.586 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])c2cccnc12 ZINC000832419539 604622037 /nfs/dbraw/zinc/62/20/37/604622037.db2.gz KSRLFNZXJNPKDO-UHFFFAOYSA-N -2 0 376.365 2.882 20 0 GFADRL O=C([O-])c1sccc1[N-]S(=O)(=O)c1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC000833306344 604633789 /nfs/dbraw/zinc/63/37/89/604633789.db2.gz UVGNVTUDZGPJRS-UHFFFAOYSA-N -3 0 379.774 2.738 20 0 GFADRL O=C([O-])C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c2ccccc21 ZINC000370710488 604769695 /nfs/dbraw/zinc/76/96/95/604769695.db2.gz ZIHRRZMBEBPGCB-LLVKDONJSA-N -2 0 395.820 2.805 20 0 GFADRL CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])c1 ZINC000758168797 604924143 /nfs/dbraw/zinc/92/41/43/604924143.db2.gz AGDNJMONYUHPLP-UHFFFAOYSA-N -2 0 382.825 2.541 20 0 GFADRL CC(C)Oc1ccc([N-]S(=O)(=O)c2cccc3c2ccnc3C(=O)[O-])cn1 ZINC000833506826 605151434 /nfs/dbraw/zinc/15/14/34/605151434.db2.gz OCKAOBSYULVJNJ-UHFFFAOYSA-N -2 0 387.417 2.916 20 0 GFADRL CC(C)n1ncc2cc([N-]S(=O)(=O)c3cc(F)cc(C(=O)[O-])c3)cnc21 ZINC000531145016 605160468 /nfs/dbraw/zinc/16/04/68/605160468.db2.gz OAISQHSLCMOTOY-UHFFFAOYSA-N -2 0 378.385 2.650 20 0 GFADRL CCOc1cc(Br)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000833660428 605188351 /nfs/dbraw/zinc/18/83/51/605188351.db2.gz AJNUQWYZZHURNZ-UHFFFAOYSA-N -2 0 390.211 2.940 20 0 GFADRL CC(C)CCN1Cc2cccc([N-]S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)c2C1 ZINC000833483464 605343406 /nfs/dbraw/zinc/34/34/06/605343406.db2.gz LKQRCIDFWHRPEM-UHFFFAOYSA-N -2 0 377.466 2.875 20 0 GFADRL O=C([O-])N1CCc2ncc([N-]S(=O)(=O)c3ccc(F)cc3Cl)cc2C1 ZINC000834119126 605878092 /nfs/dbraw/zinc/87/80/92/605878092.db2.gz BQGJAPLJEADAKW-UHFFFAOYSA-N -2 0 385.804 2.711 20 0 GFADRL O=C([O-])Cn1ccc2cc(NC(=O)[C@@H](Cc3ccccc3)NC(=O)[O-])ccc21 ZINC000834067636 606059434 /nfs/dbraw/zinc/05/94/34/606059434.db2.gz FYGCLJKXZNHOLP-MRXNPFEDSA-N -2 0 381.388 2.543 20 0 GFADRL O=C([O-])N[C@@H]1CC[C@@H](C(=O)NC[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])C1 ZINC000834168872 606062515 /nfs/dbraw/zinc/06/25/15/606062515.db2.gz IRTIXIRZCUSLFB-KZNAEPCWSA-N -2 0 384.432 2.636 20 0 GFADRL O=C([O-])Nc1cnc(C(=O)Nc2cc(Br)cc(Cl)c2[O-])cn1 ZINC000834277830 606063909 /nfs/dbraw/zinc/06/39/09/606063909.db2.gz RMOCVTUPEGGNFQ-UHFFFAOYSA-N -2 0 387.577 2.940 20 0 GFADRL Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1ccc2c(c1)CCN2C(=O)[O-] ZINC000833922630 606077699 /nfs/dbraw/zinc/07/76/99/606077699.db2.gz QCUJHGSGZVBVNM-UHFFFAOYSA-N -2 0 392.481 2.997 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2ccccc2-c2nnc(C)o2)sc1C(=O)[O-] ZINC000042792105 654644846 /nfs/dbraw/zinc/64/48/46/654644846.db2.gz MCGJVBQZEJBMIV-UHFFFAOYSA-N -2 0 379.419 2.914 20 0 GFADRL Cc1cccc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)c1Br ZINC000122015918 654728144 /nfs/dbraw/zinc/72/81/44/654728144.db2.gz LNVHUAFXQUCEJE-UHFFFAOYSA-N -2 0 389.209 2.655 20 0 GFADRL COC(=O)c1sccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2 ZINC000055573002 654777607 /nfs/dbraw/zinc/77/76/07/654777607.db2.gz MJBGTLMLWQEKRN-UHFFFAOYSA-N -2 0 381.431 2.522 20 0 GFADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000055577608 654777960 /nfs/dbraw/zinc/77/79/60/654777960.db2.gz NFXRULSJQVBQSX-UHFFFAOYSA-N -3 0 387.460 2.976 20 0 GFADRL C[C@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000274950441 655208341 /nfs/dbraw/zinc/20/83/41/655208341.db2.gz HTFWYQCMAAQYDE-SSDOTTSWSA-N -2 0 386.214 2.649 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cnc1Br ZINC000181177039 655333431 /nfs/dbraw/zinc/33/34/31/655333431.db2.gz JYGFWULIIFTREH-UHFFFAOYSA-N -2 0 377.241 2.713 20 0 GFADRL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000120313253 655334867 /nfs/dbraw/zinc/33/48/67/655334867.db2.gz ANHXAVKXIUAPMW-UHFFFAOYSA-N -2 0 397.762 2.900 20 0 GFADRL Cc1nc(Br)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000222846810 655422137 /nfs/dbraw/zinc/42/21/37/655422137.db2.gz PCBVBECVORRWQM-UHFFFAOYSA-N -2 0 377.241 2.713 20 0 GFADRL CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000745823506 655755327 /nfs/dbraw/zinc/75/53/27/655755327.db2.gz UWRWOOCVSAWVJB-UHFFFAOYSA-N -2 0 383.809 2.952 20 0 GFADRL O=C([O-])CCC(=O)c1cccc([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)c1 ZINC000761964070 656026672 /nfs/dbraw/zinc/02/66/72/656026672.db2.gz CCEQFKAGVDQOCH-UHFFFAOYSA-N -2 0 386.788 2.722 20 0 GFADRL COC(=O)c1scc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F ZINC000780406852 657004235 /nfs/dbraw/zinc/00/42/35/657004235.db2.gz ZQURGCXMRHDQLG-UHFFFAOYSA-N -2 0 387.410 2.790 20 0 GFADRL COc1cc([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)ccc1C(=O)[O-] ZINC000788490143 657729527 /nfs/dbraw/zinc/72/95/27/657729527.db2.gz XHEMLKCDJWCZIW-UHFFFAOYSA-N -2 0 377.205 2.896 20 0 GFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2cnn(C(C)(C)C)c2)cc1C(=O)[O-] ZINC000790390078 657967174 /nfs/dbraw/zinc/96/71/74/657967174.db2.gz ATHFHXHSPMLRFB-UHFFFAOYSA-N -2 0 387.845 2.799 20 0 GFADRL Cn1c(=O)c2ccc(C(=O)Nc3cc(Cl)c([O-])cc3F)cc2[n-]c1=S ZINC000805256100 659761621 /nfs/dbraw/zinc/76/16/21/659761621.db2.gz ZUPGPAQHPNTDNT-UHFFFAOYSA-N -2 0 379.800 2.973 20 0 GFADRL O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1c(F)cccc1Cl ZINC000852736336 661872998 /nfs/dbraw/zinc/87/29/98/661872998.db2.gz LUOROPRBDXLPAB-NWDGAFQWSA-N -2 0 382.741 2.575 20 0 GFADRL CCN(CCC(=O)[O-])C(=O)c1cc(Br)c([O-])c(Br)c1 ZINC000908859208 664131291 /nfs/dbraw/zinc/13/12/91/664131291.db2.gz RFNIJLFJCBCBIS-UHFFFAOYSA-N -2 0 395.047 2.854 20 0 GFADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)c2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000910182684 664198346 /nfs/dbraw/zinc/19/83/46/664198346.db2.gz IGAIMZVGGCBGMV-RDDDGLTNSA-N -2 0 379.718 2.749 20 0 GFADRL O=C([O-])CS[C@H](CNC(=O)c1cc(F)c([O-])c(Cl)c1)C(F)(F)F ZINC000910350691 664206841 /nfs/dbraw/zinc/20/68/41/664206841.db2.gz BTGCMYIQTWNBNH-MRVPVSSYSA-N -2 0 375.727 2.663 20 0 GFADRL COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(C)c2C(=O)[O-])c1 ZINC000392636323 677410017 /nfs/dbraw/zinc/41/00/17/677410017.db2.gz XJRXGDORJOOXOO-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2cccc(N3CCCC3=O)c2)sc1C(=O)[O-] ZINC000045774841 551147970 /nfs/dbraw/zinc/14/79/70/551147970.db2.gz FQNQLTKNGYLLGY-UHFFFAOYSA-N -2 0 380.447 2.682 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(F)c2)sc1C(=O)[O-] ZINC000055644893 551174017 /nfs/dbraw/zinc/17/40/17/551174017.db2.gz QPVNZRMGROKUOK-UHFFFAOYSA-N -2 0 381.410 2.880 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cnn(CC(F)(F)F)c2)c1C ZINC000118301560 551214710 /nfs/dbraw/zinc/21/47/10/551214710.db2.gz XDRMGNGQCJIPIM-UHFFFAOYSA-N -2 0 377.344 2.561 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2[N-]S(C)(=O)=O)c(Cl)c1 ZINC000179767420 552202580 /nfs/dbraw/zinc/20/25/80/552202580.db2.gz WSTHSPCDUZSAIY-UHFFFAOYSA-N -2 0 392.861 2.960 20 0 GFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2cn(C)nc2C(C)C)cc1C(=O)[O-] ZINC000280923621 563360939 /nfs/dbraw/zinc/36/09/39/563360939.db2.gz HNPBCKBPBUEUCC-UHFFFAOYSA-N -2 0 387.845 2.705 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2ccc(NC(=O)C3CC3)cc2)sc1C(=O)[O-] ZINC000298871802 563369730 /nfs/dbraw/zinc/36/97/30/563369730.db2.gz UKNNEQJHGINGJF-UHFFFAOYSA-N -2 0 380.447 2.904 20 0 GFADRL COC(=O)c1scc(C)c1S(=O)(=O)[N-]c1ccc(Cl)c(C(=O)[O-])c1 ZINC000326129241 563454237 /nfs/dbraw/zinc/45/42/37/563454237.db2.gz PWEJSHAEDSIUPY-UHFFFAOYSA-N -2 0 389.838 2.996 20 0 GFADRL Cc1nnc(-c2ccccc2[N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)o1 ZINC000393022689 563527764 /nfs/dbraw/zinc/52/77/64/563527764.db2.gz MGFRVKFQIGOYJF-UHFFFAOYSA-N -2 0 379.419 2.914 20 0 GFADRL CN(c1ccc(Cl)cc1F)S(=O)(=O)c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000435480611 563652615 /nfs/dbraw/zinc/65/26/15/563652615.db2.gz AYUXNBBMUDKCDB-UHFFFAOYSA-N -2 0 387.772 2.701 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2nc3c(cccc3C)s2)ccc1O ZINC000436730152 563677853 /nfs/dbraw/zinc/67/78/53/563677853.db2.gz JRGKCLFMAJQMTM-UHFFFAOYSA-N -2 0 378.431 2.898 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2ccccc2-c2noc(C)n2)sc1C(=O)[O-] ZINC000363374149 563721616 /nfs/dbraw/zinc/72/16/16/563721616.db2.gz NQZQHODMGUHHJN-UHFFFAOYSA-N -2 0 379.419 2.914 20 0 GFADRL COC(=O)c1scc(C)c1S(=O)(=O)[N-]c1c(C)cc(C)cc1C(=O)[O-] ZINC000442821458 563780536 /nfs/dbraw/zinc/78/05/36/563780536.db2.gz DUEZDIYNSCCEOK-UHFFFAOYSA-N -2 0 383.447 2.959 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2cc(C)n(CC(F)(F)F)n2)sc1C(=O)[O-] ZINC000416963309 563864157 /nfs/dbraw/zinc/86/41/57/563864157.db2.gz VSDZUPMHHFOIHU-UHFFFAOYSA-N -2 0 383.373 2.623 20 0 GFADRL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000476421211 564338887 /nfs/dbraw/zinc/33/88/87/564338887.db2.gz YKIJSLUHVVZNTC-UHFFFAOYSA-N -2 0 387.772 2.985 20 0 GFADRL COC(=O)Cc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C(=O)[O-])s1 ZINC000547544207 564492605 /nfs/dbraw/zinc/49/26/05/564492605.db2.gz HFINJDDBOLALPD-UHFFFAOYSA-N -2 0 383.447 2.579 20 0 GFADRL O=C([O-])c1cc([N-]S(=O)(=O)c2cc3c(cc2Cl)OCCO3)ccc1F ZINC000547866342 564514091 /nfs/dbraw/zinc/51/40/91/564514091.db2.gz DNUDAFMAXVHYDA-UHFFFAOYSA-N -2 0 387.772 2.749 20 0 GFADRL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1c(F)cccc1F)Cc1ccccc1Cl ZINC000547880625 564516215 /nfs/dbraw/zinc/51/62/15/564516215.db2.gz UOWHYRWNZCSTKL-LLVKDONJSA-N -2 0 389.807 2.840 20 0 GFADRL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1c(F)cccc1F)Cc1ccc(Cl)cc1 ZINC000548206756 564536672 /nfs/dbraw/zinc/53/66/72/564536672.db2.gz CQRGVUWTVATVBQ-LLVKDONJSA-N -2 0 389.807 2.840 20 0 GFADRL O=C([O-])[C@H](C[N-]S(=O)(=O)c1c(F)cccc1F)Cc1ccc(Cl)cc1 ZINC000548206757 564536891 /nfs/dbraw/zinc/53/68/91/564536891.db2.gz CQRGVUWTVATVBQ-NSHDSACASA-N -2 0 389.807 2.840 20 0 GFADRL COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)[O-])cc1C(=O)[O-] ZINC000518646849 564559224 /nfs/dbraw/zinc/55/92/24/564559224.db2.gz WOARDNWLTVPBOD-UHFFFAOYSA-N -2 0 385.781 2.546 20 0 GFADRL O=C([O-])C[C@H]1CCCN(C(=O)N=c2nc(-c3cccc(Cl)c3)[n-]s2)C1 ZINC000571984181 564575347 /nfs/dbraw/zinc/57/53/47/564575347.db2.gz GHYVSOANLUACSY-SNVBAGLBSA-N -2 0 380.857 2.999 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2cccc([C@@H]3CCC(=O)N3)c2)sc1C(=O)[O-] ZINC000572373443 564592381 /nfs/dbraw/zinc/59/23/81/564592381.db2.gz NASPXFFPHTZMLJ-LBPRGKRZSA-N -2 0 380.447 2.507 20 0 GFADRL Cc1noc(C)c1[N-]S(=O)(=O)c1cc(Br)cc(C(=O)[O-])c1F ZINC000485006330 564604062 /nfs/dbraw/zinc/60/40/62/564604062.db2.gz SIKSBQOXUGDJNJ-UHFFFAOYSA-N -2 0 393.190 2.692 20 0 GFADRL COCc1cccc([N-]S(=O)(=O)c2cc(OC)c(C(=O)[O-])cc2Cl)c1 ZINC000485280976 564611918 /nfs/dbraw/zinc/61/19/18/564611918.db2.gz YFJYYVWZYBBEMI-UHFFFAOYSA-N -2 0 385.825 2.994 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2O)c(OC(F)(F)F)c1 ZINC000486098540 564638562 /nfs/dbraw/zinc/63/85/62/564638562.db2.gz HYFYJVGHTKFBDG-UHFFFAOYSA-N -2 0 377.296 2.790 20 0 GFADRL C[C@@H]1CCN(C(=O)N=c2nc(-c3ccccc3Cl)[n-]s2)C[C@H]1C(=O)[O-] ZINC000575749460 564702958 /nfs/dbraw/zinc/70/29/58/564702958.db2.gz SQWWBHMVFKJWRN-MWLCHTKSSA-N -2 0 380.857 2.855 20 0 GFADRL COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cc1C ZINC000489700914 564750217 /nfs/dbraw/zinc/75/02/17/564750217.db2.gz JFDOOAPFXRIJGS-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(C(F)(F)F)nn1C ZINC000530135548 564865036 /nfs/dbraw/zinc/86/50/36/564865036.db2.gz WKIBCXBYRJTHKX-UHFFFAOYSA-N -2 0 377.344 2.500 20 0 GFADRL Cc1noc(C)c1S(=O)(=O)[N-]c1c(C)ccc(Br)c1C(=O)[O-] ZINC000463365669 564877147 /nfs/dbraw/zinc/87/71/47/564877147.db2.gz FMUNMXPIPZGMKP-UHFFFAOYSA-N -2 0 389.227 2.861 20 0 GFADRL COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(F)c1 ZINC000533169879 564956409 /nfs/dbraw/zinc/95/64/09/564956409.db2.gz JAWWKCRPVHHYCZ-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL COC(=O)c1csc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000501805282 564986443 /nfs/dbraw/zinc/98/64/43/564986443.db2.gz WQQWXHOJUMMGRJ-UHFFFAOYSA-N -2 0 375.811 2.687 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)nn1-c1cccc(F)c1 ZINC000537350122 565057324 /nfs/dbraw/zinc/05/73/24/565057324.db2.gz YGWREHKCMGQDID-UHFFFAOYSA-N -2 0 381.410 2.880 20 0 GFADRL Cn1cnnc1Sc1ccccc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000614775034 565132351 /nfs/dbraw/zinc/13/23/51/565132351.db2.gz ASSZDWIXBFTCQH-UHFFFAOYSA-N -2 0 396.475 2.527 20 0 GFADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)c(F)cc1C(=O)[O-] ZINC000591682192 565236085 /nfs/dbraw/zinc/23/60/85/565236085.db2.gz DOIXDGYCUVANOJ-UHFFFAOYSA-N -3 0 377.346 2.532 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)c(OC)c1OC ZINC000591684061 565236376 /nfs/dbraw/zinc/23/63/76/565236376.db2.gz HRKWZEFFMDFLDA-UHFFFAOYSA-N -2 0 387.435 2.581 20 0 GFADRL COC(=O)c1[nH]c(C)cc1[N-]S(=O)(=O)c1cc(Cl)c(C)c(C(=O)[O-])c1 ZINC000619467487 565342056 /nfs/dbraw/zinc/34/20/56/565342056.db2.gz JSPCJOWQQQCISF-UHFFFAOYSA-N -2 0 386.813 2.571 20 0 GFADRL CCCSc1nc(=NC(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)s[n-]1 ZINC000649540842 565765417 /nfs/dbraw/zinc/76/54/17/565765417.db2.gz HSQUKKMZVONNBS-INIZCTEOSA-N -2 0 380.495 2.626 20 0 GFADRL CCOc1cc(C(=O)N=c2nc(C3CCOCC3)[n-]s2)cc(Cl)c1[O-] ZINC000629097032 565823403 /nfs/dbraw/zinc/82/34/03/565823403.db2.gz CRQVDPNYSKAPDY-UHFFFAOYSA-N -2 0 383.857 2.864 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2ccccc2[C@@H]2CCC(=O)N2)sc1C(=O)[O-] ZINC000629330196 565843926 /nfs/dbraw/zinc/84/39/26/565843926.db2.gz QYRCLLVNZGLYIS-NSHDSACASA-N -2 0 380.447 2.507 20 0 GFADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1[C@@H]1CCC(=O)N1 ZINC000629330413 565844930 /nfs/dbraw/zinc/84/49/30/565844930.db2.gz USAILYRWTNGBJU-NSHDSACASA-N -2 0 380.447 2.507 20 0 GFADRL COCCOc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1sc(C)cc1C ZINC000629340252 565846150 /nfs/dbraw/zinc/84/61/50/565846150.db2.gz LLLGNHDSMAOITP-UHFFFAOYSA-N -2 0 385.463 2.889 20 0 GFADRL Cc1sc(C(N)=O)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C(C)C ZINC000675294514 565897528 /nfs/dbraw/zinc/89/75/28/565897528.db2.gz BJBLAUNIFUNSDB-UHFFFAOYSA-N -2 0 382.463 2.778 20 0 GFADRL COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1cccc(Cl)c1C(=O)[O-] ZINC000609619059 566048166 /nfs/dbraw/zinc/04/81/66/566048166.db2.gz YTORDVFDXNVXFC-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL O=C([O-])Cc1ccccc1[N-]S(=O)(=O)c1sccc1Br ZINC000053200374 597313662 /nfs/dbraw/zinc/31/36/62/597313662.db2.gz BDYOFPPXOYFIOA-UHFFFAOYSA-N -2 0 376.253 2.939 20 0 GFADRL CCCNC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000737028517 599737705 /nfs/dbraw/zinc/73/77/05/599737705.db2.gz IAUSUKNXZVGVDD-UHFFFAOYSA-N -2 0 386.813 2.572 20 0 GFADRL CCc1ccc([C@H](C)C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000737256014 599793239 /nfs/dbraw/zinc/79/32/39/599793239.db2.gz DZAMJTQLNNNJJF-ZDUSSCGKSA-N -2 0 375.446 2.697 20 0 GFADRL CCOCCCn1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)nc2ccccc21 ZINC000737166999 599802439 /nfs/dbraw/zinc/80/24/39/599802439.db2.gz LWGVIXGASPASIG-UHFFFAOYSA-N -2 0 393.421 2.555 20 0 GFADRL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1SC ZINC000737719170 599814912 /nfs/dbraw/zinc/81/49/12/599814912.db2.gz WCVLRWSAPQFBBG-UHFFFAOYSA-N -2 0 387.460 2.756 20 0 GFADRL COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(CCC(=O)[O-])cc1 ZINC000737691860 599853371 /nfs/dbraw/zinc/85/33/71/599853371.db2.gz RVSWNYDHJMEITL-UHFFFAOYSA-N -2 0 397.836 2.945 20 0 GFADRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000477419820 599907162 /nfs/dbraw/zinc/90/71/62/599907162.db2.gz NFEADDOFYWXLPF-UHFFFAOYSA-N -3 0 399.808 2.854 20 0 GFADRL CC1=C(C(=O)[O-])[C@H](c2ccc(O)cc2)NC(=O)N1Cc1ccc(C(=O)[O-])cc1 ZINC000736749432 599992811 /nfs/dbraw/zinc/99/28/11/599992811.db2.gz BTPSKWNXBWZCIE-KRWDZBQOSA-N -2 0 382.372 2.716 20 0 GFADRL O=C([O-])c1cc(C(F)(F)F)cc(S(=O)(=O)[N-]C(=O)[C@@H]2CC=CCC2)c1 ZINC000740074049 600045119 /nfs/dbraw/zinc/04/51/19/600045119.db2.gz FHNSALWYKPTBCR-SECBINFHSA-N -2 0 377.340 2.565 20 0 GFADRL C[C@@H](CNC(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1[O-])C(=O)[O-] ZINC000736603931 600060189 /nfs/dbraw/zinc/06/01/89/600060189.db2.gz FOKJXUIRIMJAKG-QMMMGPOBSA-N -2 0 382.825 2.810 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2nc3nc(C)cc(C(=O)[O-])c3s2)cc1 ZINC000738069538 600102555 /nfs/dbraw/zinc/10/25/55/600102555.db2.gz IKYROVJMJJFQKK-UHFFFAOYSA-N -2 0 379.419 2.507 20 0 GFADRL C[C@H](C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1)C(C)(C)C ZINC000736214382 600203195 /nfs/dbraw/zinc/20/31/95/600203195.db2.gz DUOIYRIFQRYFBR-MRVPVSSYSA-N -2 0 381.372 2.891 20 0 GFADRL Cc1ccccc1-n1nccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000738753605 600244524 /nfs/dbraw/zinc/24/45/24/600244524.db2.gz CIFDKCITGXDYEL-UHFFFAOYSA-N -2 0 393.371 2.958 20 0 GFADRL CN(Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc1)C(=O)[O-] ZINC000737486656 600300706 /nfs/dbraw/zinc/30/07/06/600300706.db2.gz TXVDPACQZYEMFS-UHFFFAOYSA-N -2 0 398.824 2.949 20 0 GFADRL O=C([O-])NCc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000740002599 600303433 /nfs/dbraw/zinc/30/34/33/600303433.db2.gz XCZFULJLXSOHQA-UHFFFAOYSA-N -2 0 384.797 2.607 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(C(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000392683724 600637237 /nfs/dbraw/zinc/63/72/37/600637237.db2.gz GJMKIVGEKNSRHO-UHFFFAOYSA-N -2 0 386.769 2.756 20 0 GFADRL CCCn1cc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])cn1 ZINC000829585054 600686782 /nfs/dbraw/zinc/68/67/82/600686782.db2.gz CJIKZAQAUQGZHC-UHFFFAOYSA-N -2 0 377.344 2.811 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)cc2OCC2CC2)ccc1O ZINC000740089957 600694781 /nfs/dbraw/zinc/69/47/81/600694781.db2.gz PQPJJXXKDXEILQ-UHFFFAOYSA-N -2 0 381.381 2.819 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2-n2cncn2)cc1C(=O)[O-] ZINC000031669526 600809870 /nfs/dbraw/zinc/80/98/70/600809870.db2.gz OWHPCIXAGFIMDW-UHFFFAOYSA-N -2 0 392.824 2.728 20 0 GFADRL Cc1cccc(S(=O)(=O)[N-]c2ccc(Br)c(C)n2)c1C(=O)[O-] ZINC000832973167 600830547 /nfs/dbraw/zinc/83/05/47/600830547.db2.gz XNTLGIKHCYWTSP-UHFFFAOYSA-N -2 0 385.239 2.960 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCCC2)ccc1C(=O)[O-] ZINC000285028114 600886432 /nfs/dbraw/zinc/88/64/32/600886432.db2.gz HJSVUTKIRGSDBF-UHFFFAOYSA-N -2 0 388.445 2.730 20 0 GFADRL COC(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000737659202 600889277 /nfs/dbraw/zinc/88/92/77/600889277.db2.gz HDWMOULMLJCQIT-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL CNC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000737542809 600894298 /nfs/dbraw/zinc/89/42/98/600894298.db2.gz JUVVCPYTIIGWNI-UHFFFAOYSA-N -2 0 382.825 2.507 20 0 GFADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2cnc(Cl)c(C)c2)c1OC ZINC000737858006 600900068 /nfs/dbraw/zinc/90/00/68/600900068.db2.gz JSLKIZBLUYPHIM-UHFFFAOYSA-N -2 0 386.813 2.560 20 0 GFADRL COC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)c1 ZINC000737695855 600900177 /nfs/dbraw/zinc/90/01/77/600900177.db2.gz VKLNSSLEDNZGPU-UHFFFAOYSA-N -2 0 395.408 2.775 20 0 GFADRL Cc1ccc(-n2[n-]c(C(=O)N(CCC(=O)[O-])Cc3ccccc3)cc2=O)cc1 ZINC000832910141 600910315 /nfs/dbraw/zinc/91/03/15/600910315.db2.gz PPRZJBIGCLTOTO-UHFFFAOYSA-N -2 0 379.416 2.591 20 0 GFADRL C[C@H](CCc1cccc(F)c1)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000827428426 600941034 /nfs/dbraw/zinc/94/10/34/600941034.db2.gz WBXGFXSUDIFBKY-SNVBAGLBSA-N -2 0 385.438 2.659 20 0 GFADRL CC(=C([O-])c1[nH]c(C)c(C(=O)[O-])c1C)S(=O)(=O)Cc1sc(C)nc1C ZINC000832995458 600975342 /nfs/dbraw/zinc/97/53/42/600975342.db2.gz ZYTWBKAATLPRSV-JTQLQIEISA-N -2 0 384.479 2.589 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2nc3ccccc3n2-c2ccccc2)c[nH]1 ZINC000833306065 600979589 /nfs/dbraw/zinc/97/95/89/600979589.db2.gz AUVSLDBQTJOJOE-UHFFFAOYSA-N -2 0 382.401 2.853 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cccc(-c2cnco2)c1 ZINC000831945892 601203002 /nfs/dbraw/zinc/20/30/02/601203002.db2.gz LDNHOWHFNIGJHN-UHFFFAOYSA-N -2 0 380.403 2.911 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCCC[C@H]3O)cc2)s1 ZINC000833323575 601204279 /nfs/dbraw/zinc/20/42/79/601204279.db2.gz OIIZPEVFVFLXOE-ZIAGYGMSSA-N -2 0 397.474 2.929 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)n(-c2ccccc2C)n1 ZINC000832898743 601229397 /nfs/dbraw/zinc/22/93/97/601229397.db2.gz RXMYXAZIYZVWGC-UHFFFAOYSA-N -2 0 375.406 2.890 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2ccc(Br)cc2O)cc1C(=O)[O-] ZINC000833029103 601233920 /nfs/dbraw/zinc/23/39/20/601233920.db2.gz BHCDTFXMZJDESK-UHFFFAOYSA-N -2 0 376.184 2.555 20 0 GFADRL O=C([O-])[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000833184201 601235168 /nfs/dbraw/zinc/23/51/68/601235168.db2.gz ODWHUJUKUAGCKI-BDAKNGLRSA-N -2 0 380.249 2.689 20 0 GFADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N[C@H](C(=O)[O-])c2cccs2)n1 ZINC000832888995 601282089 /nfs/dbraw/zinc/28/20/89/601282089.db2.gz ATCFNZNOYPLSQW-HNNXBMFYSA-N -2 0 375.381 2.643 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2-n2cncn2)ccc1F ZINC000013183361 601318781 /nfs/dbraw/zinc/31/87/81/601318781.db2.gz CTYOBTWPFSCGQW-UHFFFAOYSA-N -2 0 396.787 2.559 20 0 GFADRL Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000013091783 601318844 /nfs/dbraw/zinc/31/88/44/601318844.db2.gz PHFHKGBXKYESJI-UHFFFAOYSA-N -2 0 378.237 2.843 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cc(Cl)ccc2C(N)=O)c1C ZINC000032095344 601321491 /nfs/dbraw/zinc/32/14/91/601321491.db2.gz MFLXSJPBZZDEOV-UHFFFAOYSA-N -2 0 382.825 2.555 20 0 GFADRL O=C([O-])/C=C\c1ccc(S(=O)(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)cc1 ZINC000833197219 601332004 /nfs/dbraw/zinc/33/20/04/601332004.db2.gz MSANWMJRAAOMHX-YHAOYDPOSA-N -2 0 387.413 2.552 20 0 GFADRL CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])cc1 ZINC000826127462 601484723 /nfs/dbraw/zinc/48/47/23/601484723.db2.gz VKVJGDADNRUNOU-UHFFFAOYSA-N -3 0 398.824 2.596 20 0 GFADRL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000477422436 601488007 /nfs/dbraw/zinc/48/80/07/601488007.db2.gz FDCWMURMHZKHEQ-UHFFFAOYSA-N -3 0 393.417 2.520 20 0 GFADRL CCCCCc1nnc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)s1 ZINC000829373428 601502212 /nfs/dbraw/zinc/50/22/12/601502212.db2.gz WGJHCMXLLYRGGZ-UHFFFAOYSA-N -2 0 385.467 2.778 20 0 GFADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2cc3ccccc3o2)c1OC ZINC000531248172 601557492 /nfs/dbraw/zinc/55/74/92/601557492.db2.gz BCXDGGHSDPQFBT-UHFFFAOYSA-N -2 0 377.374 2.949 20 0 GFADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000443364332 601575948 /nfs/dbraw/zinc/57/59/48/601575948.db2.gz PCBLASLDJGFCST-UHFFFAOYSA-N -3 0 393.417 2.981 20 0 GFADRL O=C([O-])C[C@H](NC(=O)CSc1n[n-]c(=S)s1)c1ccc(Cl)cc1 ZINC000833266036 601732900 /nfs/dbraw/zinc/73/29/00/601732900.db2.gz RHNXSPVDXXOGKJ-VIFPVBQESA-N -2 0 389.911 2.905 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnn(-c3ccccn3)c2)c(Cl)cc1F ZINC000739673476 601769141 /nfs/dbraw/zinc/76/91/41/601769141.db2.gz CROBRVYCVQZGRQ-UHFFFAOYSA-N -2 0 396.787 2.559 20 0 GFADRL N#CCOc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c1 ZINC000063877691 601835229 /nfs/dbraw/zinc/83/52/29/601835229.db2.gz UWAIYYUJTKNWTQ-UHFFFAOYSA-N -2 0 384.772 2.880 20 0 GFADRL Cn1nc(C2CCCCC2)cc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000833060118 601964769 /nfs/dbraw/zinc/96/47/69/601964769.db2.gz QTHIHIBIAMIXOR-UHFFFAOYSA-N -2 0 393.465 2.732 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2nc3c(s2)CN(C(=O)[O-])CC3)cc1Cl ZINC000740150074 601977112 /nfs/dbraw/zinc/97/71/12/601977112.db2.gz CZAZNFFHLUHROJ-UHFFFAOYSA-N -2 0 387.870 2.942 20 0 GFADRL Cc1cc(S(=O)(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cc(C(=O)[O-])c1F ZINC000832903442 601986084 /nfs/dbraw/zinc/98/60/84/601986084.db2.gz CZULHKWMNHLJAV-UHFFFAOYSA-N -2 0 387.772 2.985 20 0 GFADRL C[C@H](Oc1ccc(/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)cc1)C(=O)[O-] ZINC000016937362 602095275 /nfs/dbraw/zinc/09/52/75/602095275.db2.gz SKEJUTSSJCOLBI-AVMBBCFPSA-N -2 0 395.458 2.605 20 0 GFADRL COc1ccsc1S(=O)(=O)[N-]c1nc2nc(C)cc(C(=O)[O-])c2s1 ZINC000832642775 602101659 /nfs/dbraw/zinc/10/16/59/602101659.db2.gz FXGGEGPCVAAPJA-UHFFFAOYSA-N -2 0 385.448 2.569 20 0 GFADRL O=C([O-])CCCc1nnc([N-]S(=O)(=O)c2cccc(Cl)c2F)s1 ZINC000833232167 602105856 /nfs/dbraw/zinc/10/58/56/602105856.db2.gz MGNQXXXUNIRPCI-UHFFFAOYSA-N -2 0 379.822 2.539 20 0 GFADRL Cc1cc(S(=O)(=O)N2CCCc3c(C(=O)[O-])cccc32)cc(C(=O)[O-])c1C ZINC000832902072 602112096 /nfs/dbraw/zinc/11/20/96/602112096.db2.gz XFTAGWIUZGXYEJ-UHFFFAOYSA-N -2 0 389.429 2.841 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cs2)c(Cl)cc1F ZINC000831348341 602117041 /nfs/dbraw/zinc/11/70/41/602117041.db2.gz DCXFCAXJROHIOW-UHFFFAOYSA-N -2 0 393.801 2.826 20 0 GFADRL O=C([O-])COc1ccc([N-]S(=O)(=O)c2cncc(F)c2)c2ccccc12 ZINC000833259439 602124578 /nfs/dbraw/zinc/12/45/78/602124578.db2.gz OSWRECPAIGXFIX-UHFFFAOYSA-N -2 0 376.365 2.638 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2csnc2C(=O)[O-])cc1Br ZINC000832956725 602155601 /nfs/dbraw/zinc/15/56/01/602155601.db2.gz YCDGMVBKFWQHGB-UHFFFAOYSA-N -2 0 377.241 2.713 20 0 GFADRL Cc1ccnc(-n2nccc2[N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000832983401 602159540 /nfs/dbraw/zinc/15/95/40/602159540.db2.gz UVWGDPXPSFBYHK-UHFFFAOYSA-N -2 0 392.824 2.728 20 0 GFADRL Cn1cc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)c(-c2ccccn2)n1 ZINC000833049915 602307717 /nfs/dbraw/zinc/30/77/17/602307717.db2.gz AUWKXLGLXMSGRK-UHFFFAOYSA-N -2 0 392.824 2.635 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1OCC(F)F ZINC000474299144 602320508 /nfs/dbraw/zinc/32/05/08/602320508.db2.gz XETQCSNVBIUSGS-UHFFFAOYSA-N -2 0 387.360 2.838 20 0 GFADRL O=C([O-])NCCOc1cccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000740667460 602447862 /nfs/dbraw/zinc/44/78/62/602447862.db2.gz IZLPTHCOBYGLCZ-UHFFFAOYSA-N -2 0 388.804 2.926 20 0 GFADRL CCn1c(=O)c2ccc(C(=O)Oc3cccc(CNC(=O)[O-])c3)cc2[n-]c1=S ZINC000739565735 602566499 /nfs/dbraw/zinc/56/64/99/602566499.db2.gz WGRLWKLPXJBNRY-UHFFFAOYSA-N -2 0 399.428 2.692 20 0 GFADRL COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1ccccc1CN(C)C(=O)[O-] ZINC000739777763 602654777 /nfs/dbraw/zinc/65/47/77/602654777.db2.gz GEAMIZPNYFMZIN-UHFFFAOYSA-N -2 0 392.433 2.692 20 0 GFADRL Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)CC[C@H](NC(=O)[O-])c2ccccc2)c1 ZINC000740118192 602670224 /nfs/dbraw/zinc/67/02/24/602670224.db2.gz AKMGMSCLAUUJPF-INIZCTEOSA-N -2 0 390.461 2.897 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]C(=O)CC[C@@H](NC(=O)[O-])c2ccccc2)s1 ZINC000740146505 602670245 /nfs/dbraw/zinc/67/02/45/602670245.db2.gz HDXSOGAXVNVYKK-CYBMUJFWSA-N -2 0 382.463 2.651 20 0 GFADRL C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(NC(=O)[O-])nc3)cc(Cl)c2O1 ZINC000739191991 602779930 /nfs/dbraw/zinc/77/99/30/602779930.db2.gz TXCKYMHXJMPMHI-QMMMGPOBSA-N -2 0 383.813 2.949 20 0 GFADRL O=C([O-])N1CCC[C@@H](NS(=O)(=O)c2c(Cl)cccc2C(F)(F)F)C1 ZINC000739927469 603086189 /nfs/dbraw/zinc/08/61/89/603086189.db2.gz PANLRDGCLGYFGQ-MRVPVSSYSA-N -2 0 386.779 2.780 20 0 GFADRL COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000828736989 603402878 /nfs/dbraw/zinc/40/28/78/603402878.db2.gz BWPIHLGBHWIMDM-GFCCVEGCSA-N -2 0 392.433 2.911 20 0 GFADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CCCC[C@@H]2[C@H](C)NC(=O)[O-])n1 ZINC000830068102 603532928 /nfs/dbraw/zinc/53/29/28/603532928.db2.gz HYLSTVKOZIABMC-SWLSCSKDSA-N -2 0 390.415 2.676 20 0 GFADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)N(C)C3CCN(C(=O)[O-])CC3)n2)cc1 ZINC000824463436 603738759 /nfs/dbraw/zinc/73/87/59/603738759.db2.gz JSQLPLVYCCLZPI-UHFFFAOYSA-N -2 0 386.452 2.916 20 0 GFADRL CCc1ccccc1-n1cc([O-])c(C(=O)N2CCC[C@H](CN(C)C(=O)[O-])C2)n1 ZINC000827601352 603837318 /nfs/dbraw/zinc/83/73/18/603837318.db2.gz XNEGQCFRRDQECB-CQSZACIVSA-N -2 0 386.452 2.602 20 0 GFADRL O=C([O-])NC[C@H]1CCN(C(=O)c2cc(Cl)cc(Br)c2[O-])C1 ZINC000832588452 603839959 /nfs/dbraw/zinc/83/99/59/603839959.db2.gz AMXPNVQGZUPIGN-SSDOTTSWSA-N -2 0 377.622 2.538 20 0 GFADRL Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)[C@H](C)[C@H](NC(=O)[O-])c2ccccc2)c1 ZINC000830275176 604208766 /nfs/dbraw/zinc/20/87/66/604208766.db2.gz QFURWZXGCFBZOC-PBHICJAKSA-N -2 0 390.461 2.753 20 0 GFADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000829854134 604314748 /nfs/dbraw/zinc/31/47/48/604314748.db2.gz GTNIUYBVDRWFHJ-UHFFFAOYSA-N -2 0 390.417 2.925 20 0 GFADRL C[C@H](CC(=O)[N-]S(=O)(=O)c1cccc(Cl)c1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824678642 604394429 /nfs/dbraw/zinc/39/44/29/604394429.db2.gz DMDWAYKILHRHLY-NEPJUHHUSA-N -2 0 388.873 2.561 20 0 GFADRL CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-] ZINC000827016986 604438235 /nfs/dbraw/zinc/43/82/35/604438235.db2.gz UZVKKWRTAFFUPU-MRXNPFEDSA-N -2 0 389.452 2.652 20 0 GFADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ncc(Br)cc2C)c1C(=O)[O-] ZINC000387669992 604620436 /nfs/dbraw/zinc/62/04/36/604620436.db2.gz ITMJDTUNXDCQBC-UHFFFAOYSA-N -2 0 389.227 2.861 20 0 GFADRL O=C([O-])CCc1csc([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)n1 ZINC000833243784 604626555 /nfs/dbraw/zinc/62/65/55/604626555.db2.gz LKQUTYCIHYYYAQ-UHFFFAOYSA-N -2 0 382.250 2.663 20 0 GFADRL CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000261737571 604634637 /nfs/dbraw/zinc/63/46/37/604634637.db2.gz UHUCGXHRTPJYKU-UHFFFAOYSA-N -2 0 386.214 2.649 20 0 GFADRL O=C([O-])C[C@H]1CCCN1C(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000833210596 604671838 /nfs/dbraw/zinc/67/18/38/604671838.db2.gz MAHSULVMAPUUNF-SNVBAGLBSA-N -2 0 383.326 2.676 20 0 GFADRL CC(C)(C)[S@@](=O)Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)c1 ZINC000833446814 604688854 /nfs/dbraw/zinc/68/88/54/604688854.db2.gz KGZKDOWQXKZZIF-VWLOTQADSA-N -2 0 396.490 2.628 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)cc1Cl ZINC000833781783 604748371 /nfs/dbraw/zinc/74/83/71/604748371.db2.gz OBSMOCJEBACTOB-GFCCVEGCSA-N -2 0 395.820 2.805 20 0 GFADRL COc1ccsc1S(=O)(=O)[N-]c1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000832643262 604809666 /nfs/dbraw/zinc/80/96/66/604809666.db2.gz YQMWKMYXLBENMA-UHFFFAOYSA-N -2 0 377.827 2.674 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2[nH]nc(-c3ccccc3)c2C)cc1C(=O)[O-] ZINC000833734500 604884935 /nfs/dbraw/zinc/88/49/35/604884935.db2.gz IMKBTUNBHSGDFQ-UHFFFAOYSA-N -2 0 387.417 2.893 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cnn(-c2ccccc2)c1C ZINC000831949521 605010263 /nfs/dbraw/zinc/01/02/63/605010263.db2.gz ADZNCIPDCXHGJY-UHFFFAOYSA-N -2 0 393.446 2.750 20 0 GFADRL C[C@@H](CCCc1ccccc1)C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000833515844 605085157 /nfs/dbraw/zinc/08/51/57/605085157.db2.gz ZTXULSDEACRRDB-LBPRGKRZSA-N -2 0 381.475 2.910 20 0 GFADRL Cc1ccc(Br)c(S(=O)(=O)[N-]c2nc(CC(=O)[O-])cs2)c1 ZINC000833747428 605117853 /nfs/dbraw/zinc/11/78/53/605117853.db2.gz OKDYCHPUSGKOHY-UHFFFAOYSA-N -2 0 391.268 2.642 20 0 GFADRL CCc1nc(-c2ccccc2[N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)n[nH]1 ZINC000535137006 605164097 /nfs/dbraw/zinc/16/40/97/605164097.db2.gz JNBXQPLEOYWJMW-UHFFFAOYSA-N -2 0 390.396 2.672 20 0 GFADRL Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)[O-])c2)cc1C(=O)[O-] ZINC000833744413 605168152 /nfs/dbraw/zinc/16/81/52/605168152.db2.gz GCUBKIYFHOXQKI-UHFFFAOYSA-N -3 0 386.332 2.862 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCC(C)C)c(C(=O)[O-])c1 ZINC000833750953 605184449 /nfs/dbraw/zinc/18/44/49/605184449.db2.gz IZUOTTBQOCHIMG-UHFFFAOYSA-N -2 0 390.461 2.880 20 0 GFADRL C[C@H]1CCCCN1C(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cc1 ZINC000833610934 605185234 /nfs/dbraw/zinc/18/52/34/605185234.db2.gz HGTOOVNKGFMWOO-LBPRGKRZSA-N -2 0 392.433 2.793 20 0 GFADRL CC(C)n1cnc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2OC(F)F)c1 ZINC000833513237 605187358 /nfs/dbraw/zinc/18/73/58/605187358.db2.gz HDHPXIIHDVNGSE-UHFFFAOYSA-N -2 0 375.353 2.564 20 0 GFADRL O=C([O-])N[C@H](CCC(=O)NC1(C(=O)[O-])Cc2ccccc2C1)c1ccccc1 ZINC000834138376 606049102 /nfs/dbraw/zinc/04/91/02/606049102.db2.gz UDDZUGYKPZPHOV-QGZVFWFLSA-N -2 0 382.416 2.514 20 0 GFADRL O=C([O-])C[C@H](NC(=O)C[C@@H](NC(=O)[O-])c1ccccc1)c1ccc(F)cc1F ZINC000834061346 606067929 /nfs/dbraw/zinc/06/79/29/606067929.db2.gz UBCKZLDVHMOQDD-CVEARBPZSA-N -2 0 392.358 2.996 20 0 GFADRL O=C([O-])NCc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1 ZINC000834247478 606072317 /nfs/dbraw/zinc/07/23/17/606072317.db2.gz XNAMKTQUGGAERK-AWEZNQCLSA-N -2 0 380.759 2.802 20 0 GFADRL O=C([O-])Nc1ccccc1CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000834271512 606091995 /nfs/dbraw/zinc/09/19/95/606091995.db2.gz BDVTYEGWWQDBTR-UHFFFAOYSA-N -2 0 388.445 2.703 20 0 GFADRL COC(=O)N(C)c1ccc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc1 ZINC000057125390 654801672 /nfs/dbraw/zinc/80/16/72/654801672.db2.gz ORKUMNPBEZGITM-UHFFFAOYSA-N -2 0 384.435 2.758 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)cn1 ZINC000066813745 654916454 /nfs/dbraw/zinc/91/64/54/654916454.db2.gz HJHCVJLEVRIVJJ-UHFFFAOYSA-N -2 0 377.205 2.896 20 0 GFADRL O=C([O-])c1cc(F)c(F)c(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2)c1 ZINC000179545825 655314283 /nfs/dbraw/zinc/31/42/83/655314283.db2.gz IBWWFZPYDLPAKJ-UHFFFAOYSA-N -2 0 382.266 2.878 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c(OC)c1OC ZINC000263900238 655453532 /nfs/dbraw/zinc/45/35/32/655453532.db2.gz CXSYHBBBFVMORZ-UHFFFAOYSA-N -2 0 387.435 2.581 20 0 GFADRL O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2ccc(F)cc2OC(F)F)c1 ZINC000577790034 655467126 /nfs/dbraw/zinc/46/71/26/655467126.db2.gz VBNDAOHUSOECTG-UHFFFAOYSA-N -2 0 375.324 2.855 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2cnn(-c3ccccc3F)c2)sc1C(=O)[O-] ZINC000579432894 655499534 /nfs/dbraw/zinc/49/95/34/655499534.db2.gz VKWJXFJIKCJOSJ-UHFFFAOYSA-N -2 0 381.410 2.880 20 0 GFADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(SC(=O)N(C)C)cc1 ZINC000746055371 655758113 /nfs/dbraw/zinc/75/81/13/655758113.db2.gz HGTSUAPIBZDBQG-UHFFFAOYSA-N -2 0 384.435 2.861 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2)c1F ZINC000749145056 655800933 /nfs/dbraw/zinc/80/09/33/655800933.db2.gz ICVSPUHEYYFLKX-DEOSSOPVSA-N -2 0 385.438 2.512 20 0 GFADRL Cc1ccc(F)c([N-]S(=O)(=O)c2c(Cl)nc3sccn32)c1C(=O)[O-] ZINC000761281127 656007730 /nfs/dbraw/zinc/00/77/30/656007730.db2.gz HRKKVVFNDADAEP-UHFFFAOYSA-N -2 0 389.817 2.996 20 0 GFADRL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-]c2ccc3[nH]nnc3c2)c1 ZINC000761901136 656023845 /nfs/dbraw/zinc/02/38/45/656023845.db2.gz PZSQSBHZQSWQHQ-UHFFFAOYSA-N -2 0 387.204 2.764 20 0 GFADRL Cc1cc(F)c(S(=O)(=O)[N-]c2ccccc2C[S@](C)=O)cc1C(=O)[O-] ZINC000762453433 656042794 /nfs/dbraw/zinc/04/27/94/656042794.db2.gz MSSWCWPXKDDQLL-DEOSSOPVSA-N -2 0 385.438 2.512 20 0 GFADRL Cc1cccc(O)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Br ZINC000776748038 656791508 /nfs/dbraw/zinc/79/15/08/656791508.db2.gz SSJSKJZWXXQXOA-UHFFFAOYSA-N -2 0 386.223 2.962 20 0 GFADRL Cc1onc(OC(F)F)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000788132791 657655981 /nfs/dbraw/zinc/65/59/81/657655981.db2.gz UDLRQDGGMAIOAW-UHFFFAOYSA-N -2 0 376.337 2.700 20 0 GFADRL CCC(C)(C)[C@H]([N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)[O-] ZINC000843296575 661376481 /nfs/dbraw/zinc/37/64/81/661376481.db2.gz NOEANYHMCPXYDP-LLVKDONJSA-N -2 0 375.315 2.550 20 0 GFADRL O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1cccc(Cl)c1F ZINC000852734793 661872607 /nfs/dbraw/zinc/87/26/07/661872607.db2.gz DFIFFHIPYQZDQM-JQWIXIFHSA-N -2 0 382.741 2.575 20 0 GFADRL CC(C)(C)CC[C@@H](NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1)C(=O)[O-] ZINC000856723071 662038464 /nfs/dbraw/zinc/03/84/64/662038464.db2.gz WBSLSSFPKDSVPK-GFCCVEGCSA-N -2 0 377.846 2.596 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)cnc1Br ZINC000390278672 677673044 /nfs/dbraw/zinc/67/30/44/677673044.db2.gz LMJBDXLGJRKFPF-UHFFFAOYSA-N -2 0 385.239 2.960 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)c(Br)c(F)c2)c[nH]1 ZINC000180656629 552232166 /nfs/dbraw/zinc/23/21/66/552232166.db2.gz LMWTTZXLEWYMAU-UHFFFAOYSA-N -2 0 381.154 2.554 20 0 GFADRL O=C([O-])c1c(Cl)cccc1[N-]S(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000186990492 552403761 /nfs/dbraw/zinc/40/37/61/552403761.db2.gz ANCJBTGNLHBFES-UHFFFAOYSA-N -2 0 383.735 2.598 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(-c3ncon3)c2)c(Cl)c1 ZINC000376195474 563433129 /nfs/dbraw/zinc/43/31/29/563433129.db2.gz MJJMEHRHXLSVJP-UHFFFAOYSA-N -2 0 379.781 2.889 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)nc2)cs1 ZINC000324832829 563453164 /nfs/dbraw/zinc/45/31/64/563453164.db2.gz VJGLOYUHGYGYHW-UHFFFAOYSA-N -2 0 382.341 2.583 20 0 GFADRL Cc1cccc([N-]S(=O)(=O)c2cc3c(cc2Cl)NC(=O)C3)c1C(=O)[O-] ZINC000327255757 563457106 /nfs/dbraw/zinc/45/71/06/563457106.db2.gz PTIGZHOYXXRZRF-UHFFFAOYSA-N -2 0 380.809 2.642 20 0 GFADRL CCNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)c1 ZINC000327364800 563457691 /nfs/dbraw/zinc/45/76/91/563457691.db2.gz XXQDHAJVLCQQAY-UHFFFAOYSA-N -2 0 382.463 2.614 20 0 GFADRL COc1cc(OC)c([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cc1Cl ZINC000327312961 563457969 /nfs/dbraw/zinc/45/79/69/563457969.db2.gz WBHOCITXJWALSK-UHFFFAOYSA-N -2 0 385.825 2.785 20 0 GFADRL COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc([C@H](C)CC(=O)[O-])cc1 ZINC000328159411 563461092 /nfs/dbraw/zinc/46/10/92/563461092.db2.gz QGNHJMHQMTWXPG-SNVBAGLBSA-N -2 0 383.447 2.914 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2ccccc2Br)c(C(=O)[O-])c1 ZINC000387464398 563519785 /nfs/dbraw/zinc/51/97/85/563519785.db2.gz CSBBCJSJQDCQBL-UHFFFAOYSA-N -2 0 386.223 2.957 20 0 GFADRL COc1cncc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(F)(F)F)c2)c1 ZINC000410380556 563588363 /nfs/dbraw/zinc/58/83/63/563588363.db2.gz GUJFWQBCRWMYHQ-UHFFFAOYSA-N -2 0 376.312 2.608 20 0 GFADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)c(OC)c1 ZINC000432654099 563590221 /nfs/dbraw/zinc/59/02/21/563590221.db2.gz OTDFLWPWMVZMAC-UHFFFAOYSA-N -2 0 385.825 2.785 20 0 GFADRL O=C([O-])c1ccc(O)c(S(=O)(=O)[N-]c2ccc(OC(F)F)c(F)c2)c1 ZINC000436995270 563687852 /nfs/dbraw/zinc/68/78/52/563687852.db2.gz QIZMPLAFRXGSHM-UHFFFAOYSA-N -2 0 377.296 2.632 20 0 GFADRL Cn1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2-n2cccc2)cc1C(=O)[O-] ZINC000438752373 563709446 /nfs/dbraw/zinc/70/94/46/563709446.db2.gz FHUWHWIEPNHKGT-UHFFFAOYSA-N -2 0 379.825 2.968 20 0 GFADRL O=C([N-]C[C@@H]1CCCN(C(=O)c2cc(F)cc(Cl)c2[O-])C1)C(F)(F)F ZINC000291218086 563734631 /nfs/dbraw/zinc/73/46/31/563734631.db2.gz WACBGUFJXYGUBL-QMMMGPOBSA-N -2 0 382.741 2.715 20 0 GFADRL COC(=O)c1scc(C)c1S(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)[O-] ZINC000442840648 563781282 /nfs/dbraw/zinc/78/12/82/563781282.db2.gz XJJAGGNXVMQTHV-UHFFFAOYSA-N -2 0 389.838 2.996 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(SC)cc1OC ZINC000446632089 563866692 /nfs/dbraw/zinc/86/66/92/563866692.db2.gz RUAYIQLJZGRKJJ-UHFFFAOYSA-N -2 0 383.447 2.925 20 0 GFADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(S[C@H](C)C(=O)[O-])cc1 ZINC000507600054 564234236 /nfs/dbraw/zinc/23/42/36/564234236.db2.gz BUKIFYPOFFXHQY-SECBINFHSA-N -3 0 385.419 2.652 20 0 GFADRL CC(C)n1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Br)c2)cn1 ZINC000564622886 564242023 /nfs/dbraw/zinc/24/20/23/564242023.db2.gz FIMKRUNSXRSVGM-UHFFFAOYSA-N -2 0 388.243 2.726 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2cc3c(c(C(=O)[O-])c2)OCCO3)sc1Cl ZINC000473443457 564246740 /nfs/dbraw/zinc/24/67/40/564246740.db2.gz MMIKTEXHZKVXFX-UHFFFAOYSA-N -2 0 389.838 2.980 20 0 GFADRL Cc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(Br)cn2)cc1F ZINC000547933681 564522634 /nfs/dbraw/zinc/52/26/34/564522634.db2.gz ZYKAVQZTQXXDID-UHFFFAOYSA-N -2 0 389.202 2.791 20 0 GFADRL CC[C@H](C)CS(=O)(=O)[N-]c1c(OC)ccc(Br)c1C(=O)[O-] ZINC000547932003 564522920 /nfs/dbraw/zinc/52/29/20/564522920.db2.gz RWVJIRVIGKNKSD-QMMMGPOBSA-N -2 0 380.260 2.944 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(=O)[O-])c2)sc1Cl ZINC000518156234 564546701 /nfs/dbraw/zinc/54/67/01/564546701.db2.gz UELWDEOBFOBVMX-UHFFFAOYSA-N -3 0 375.811 2.907 20 0 GFADRL CC[C@](C)(C[N-]S(=O)(=O)c1cc(F)c(Br)cc1F)C(=O)[O-] ZINC000572668821 564604266 /nfs/dbraw/zinc/60/42/66/564604266.db2.gz UBOFNOISYQDHCJ-GFCCVEGCSA-N -2 0 386.214 2.507 20 0 GFADRL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)cc1Cl ZINC000520628713 564609549 /nfs/dbraw/zinc/60/95/49/564609549.db2.gz XNGIYXBIRQEZJA-UHFFFAOYSA-N -2 0 386.788 2.937 20 0 GFADRL CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000574734075 564686407 /nfs/dbraw/zinc/68/64/07/564686407.db2.gz AQNMRDWKFDKWQA-ZETCQYMHSA-N -2 0 386.214 2.649 20 0 GFADRL COc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2O)cc(C(=O)[O-])c1OC ZINC000524852210 564689041 /nfs/dbraw/zinc/68/90/41/564689041.db2.gz LKIMUTGTRCALFD-UHFFFAOYSA-N -2 0 387.797 2.562 20 0 GFADRL CC1(C)C[C@@H](NS(=O)(=O)c2csnc2C(=O)[O-])c2ccc(F)cc2O1 ZINC000579468795 564748464 /nfs/dbraw/zinc/74/84/64/564748464.db2.gz KXQSAOFVFPXSBO-SNVBAGLBSA-N -2 0 386.426 2.561 20 0 GFADRL COc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2F)c(C(=O)[O-])cc1OC ZINC000556351360 564820661 /nfs/dbraw/zinc/82/06/61/564820661.db2.gz WTLIBTOZAMJQIN-UHFFFAOYSA-N -2 0 389.788 2.995 20 0 GFADRL CCc1ccc(S(=O)(=O)[N-]c2cn(C)nc2C(F)(F)F)cc1C(=O)[O-] ZINC000463433782 564881801 /nfs/dbraw/zinc/88/18/01/564881801.db2.gz YFYXOOYEPATHJV-UHFFFAOYSA-N -2 0 377.344 2.500 20 0 GFADRL COc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c(Cl)c1 ZINC000583346876 564887543 /nfs/dbraw/zinc/88/75/43/564887543.db2.gz MNLCWEPFGOYNNG-UHFFFAOYSA-N -2 0 385.781 2.546 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2c(OC)ccc(Cl)c2C(=O)[O-])cc1F ZINC000505125443 565049313 /nfs/dbraw/zinc/04/93/13/565049313.db2.gz SNYCIERHTRQHMY-UHFFFAOYSA-N -2 0 389.788 2.995 20 0 GFADRL COc1ccncc1CNS(=O)(=O)c1cc(C(=O)[O-])sc1C(C)(C)C ZINC000650681548 565830190 /nfs/dbraw/zinc/83/01/90/565830190.db2.gz AEWUQXXCEFIOHY-UHFFFAOYSA-N -2 0 384.479 2.626 20 0 GFADRL O=C([O-])c1cc(Br)cc(S(=O)(=O)[N-]c2cccc3n[nH]cc32)c1 ZINC000677805393 565984477 /nfs/dbraw/zinc/98/44/77/565984477.db2.gz VETXGGHNNHUBQG-UHFFFAOYSA-N -2 0 396.222 2.824 20 0 GFADRL COC(=O)c1csc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c1C ZINC000611443862 566129882 /nfs/dbraw/zinc/12/98/82/566129882.db2.gz BRJMRQPIMQEFLG-UHFFFAOYSA-N -2 0 389.838 2.996 20 0 GFADRL COc1cc(C(F)(F)F)ncc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000682876039 566174646 /nfs/dbraw/zinc/17/46/46/566174646.db2.gz SUWANUPXYNJBDD-UHFFFAOYSA-N -2 0 376.312 2.608 20 0 GFADRL O=C([O-])Cc1ccccc1NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC000819626075 597255657 /nfs/dbraw/zinc/25/56/57/597255657.db2.gz DXAXXMNMILMUEU-UHFFFAOYSA-N -2 0 387.772 2.605 20 0 GFADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2CC(=O)[O-])cc1Cl ZINC000820685195 597368069 /nfs/dbraw/zinc/36/80/69/597368069.db2.gz MSIZAPKUPPZVRD-UHFFFAOYSA-N -2 0 383.809 2.555 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2OC[C@H]2CCCO2)cc1 ZINC000502906453 599739548 /nfs/dbraw/zinc/73/95/48/599739548.db2.gz HNJWKDIFXXFGJR-CQSZACIVSA-N -2 0 395.408 2.883 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3ncc4n3CCCC4)cc2)o1 ZINC000740177618 599886413 /nfs/dbraw/zinc/88/64/13/599886413.db2.gz NBHJINIEFPKVNJ-UHFFFAOYSA-N -2 0 387.417 2.978 20 0 GFADRL COCCCOc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000477392512 599906871 /nfs/dbraw/zinc/90/68/71/599906871.db2.gz MJZGIHQZAQHGBH-UHFFFAOYSA-N -2 0 379.434 2.909 20 0 GFADRL COCCOc1cc(C)ccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000477409528 599906893 /nfs/dbraw/zinc/90/68/93/599906893.db2.gz ZFCSJSPGBSRLQC-UHFFFAOYSA-N -2 0 379.434 2.828 20 0 GFADRL CC(C)COc1ccccc1C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000736449110 599980898 /nfs/dbraw/zinc/98/08/98/599980898.db2.gz ZVKYLKJUKOHYMR-UHFFFAOYSA-N -2 0 383.447 2.600 20 0 GFADRL CCCCN1C(=O)N[C@H](c2cccc(O[C@@H](C)C(=O)[O-])c2)C(C(=O)[O-])=C1C ZINC000736993877 599983854 /nfs/dbraw/zinc/98/38/54/599983854.db2.gz JREGGGWOKZQTBL-BLLLJJGKSA-N -2 0 376.409 2.764 20 0 GFADRL CC[C@@H](C)N1C(=O)N[C@H](c2cccc(OCCC(=O)[O-])c2)C(C(=O)[O-])=C1C ZINC000736883931 599984775 /nfs/dbraw/zinc/98/47/75/599984775.db2.gz PYVSHFJYZFHXLU-PIGZYNQJSA-N -2 0 376.409 2.764 20 0 GFADRL CCC1=C(C(=O)[O-])[C@@H](c2cscn2)NC(=O)N1Cc1ccc(C(=O)[O-])cc1 ZINC000736931833 599987008 /nfs/dbraw/zinc/98/70/08/599987008.db2.gz JIFQQWPBVRRRSV-OAHLLOKOSA-N -2 0 387.417 2.857 20 0 GFADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccnn2CCc2ccccc2)c1 ZINC000740270861 600055525 /nfs/dbraw/zinc/05/55/25/600055525.db2.gz HYTQCRKAZUNKCP-UHFFFAOYSA-N -2 0 377.447 2.686 20 0 GFADRL Cc1cccc(Cn2nccc2[N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])c1 ZINC000738722035 600055842 /nfs/dbraw/zinc/05/58/42/600055842.db2.gz RMBQTQVUHXENGL-UHFFFAOYSA-N -2 0 389.408 2.878 20 0 GFADRL C[C@@H](C1CC1)n1nccc1[N-]S(=O)(=O)c1ccc(OCCC(=O)[O-])cc1 ZINC000736540011 600099142 /nfs/dbraw/zinc/09/91/42/600099142.db2.gz BROYWYZTGNNXNS-LBPRGKRZSA-N -2 0 379.438 2.508 20 0 GFADRL O=C([O-])Nc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)ccc1F ZINC000740011403 600101723 /nfs/dbraw/zinc/10/17/23/600101723.db2.gz CHFLCNHBHCCDBN-UHFFFAOYSA-N -2 0 394.380 2.903 20 0 GFADRL COc1cccc(S(=O)(=O)[N-]c2nc3nc(C)cc(C(=O)[O-])c3s2)c1 ZINC000738109566 600102240 /nfs/dbraw/zinc/10/22/40/600102240.db2.gz TWCCJUOCFGXGAM-UHFFFAOYSA-N -2 0 379.419 2.507 20 0 GFADRL Cc1cc(C(=O)[O-])c2sc([N-]S(=O)(=O)c3ccc(C)c(F)c3)nc2n1 ZINC000738346611 600102320 /nfs/dbraw/zinc/10/23/20/600102320.db2.gz ZDXVTHIGYCGUCO-UHFFFAOYSA-N -2 0 381.410 2.946 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)cn2)c(Br)cc1F ZINC000740089212 600104258 /nfs/dbraw/zinc/10/42/58/600104258.db2.gz AWUDOKTUEOSEKL-UHFFFAOYSA-N -2 0 393.165 2.621 20 0 GFADRL CN(C)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c(C(F)(F)F)c1 ZINC000737375736 600104902 /nfs/dbraw/zinc/10/49/02/600104902.db2.gz MTKSFDDLMDCEGY-UHFFFAOYSA-N -2 0 378.328 2.863 20 0 GFADRL C[C@@H]1CN(c2ccccc2[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)C[C@H](C)O1 ZINC000736822922 600105046 /nfs/dbraw/zinc/10/50/46/600105046.db2.gz FKJCBADTPQDFKP-TXEJJXNPSA-N -2 0 396.490 2.861 20 0 GFADRL CCn1c(=O)c2ccc(C(=O)N(C)[C@@H](C(=O)[O-])c3ccccc3)cc2[n-]c1=S ZINC000737295753 600193483 /nfs/dbraw/zinc/19/34/83/600193483.db2.gz PEIIZZYANQCVGJ-MRXNPFEDSA-N -2 0 397.456 2.603 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cn3cccn3)cc2)c(F)cc1F ZINC000740089904 600234300 /nfs/dbraw/zinc/23/43/00/600234300.db2.gz NCLUESOFNWEAHQ-UHFFFAOYSA-N -2 0 393.371 2.709 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N(C)CCCC(=O)[O-])cc1 ZINC000427730358 600413156 /nfs/dbraw/zinc/41/31/56/600413156.db2.gz ZORJWVIGLSUUJL-UHFFFAOYSA-N -2 0 390.461 2.733 20 0 GFADRL Cc1ccc(-c2ccc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c(F)c2)cc1 ZINC000738488099 600465605 /nfs/dbraw/zinc/46/56/05/600465605.db2.gz HEEMZBHNPHVPOO-UHFFFAOYSA-N -2 0 379.409 2.726 20 0 GFADRL O=C([O-])c1ccncc1[N-]S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000391603169 600514675 /nfs/dbraw/zinc/51/46/75/600514675.db2.gz HGPLATASIXQFIH-UHFFFAOYSA-N -2 0 378.740 2.835 20 0 GFADRL COc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2SC)cc1C(=O)[O-] ZINC000055577536 600542325 /nfs/dbraw/zinc/54/23/25/600542325.db2.gz XNUPWZRKBPFJCL-UHFFFAOYSA-N -2 0 397.430 2.614 20 0 GFADRL COC(=O)c1sc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)c(C(=O)[O-])c1C ZINC000737721270 600565095 /nfs/dbraw/zinc/56/50/95/600565095.db2.gz WODSJMSKWDMGMS-UHFFFAOYSA-N -2 0 394.430 2.823 20 0 GFADRL COCCCOc1ccccc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000267133209 600627488 /nfs/dbraw/zinc/62/74/88/600627488.db2.gz CXADKTCZVICFDU-UHFFFAOYSA-N -2 0 379.434 2.530 20 0 GFADRL Cc1cnn(-c2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])s3)cc2F)c1 ZINC000738810652 600636588 /nfs/dbraw/zinc/63/65/88/600636588.db2.gz YWGURLXKEVWZAX-UHFFFAOYSA-N -2 0 381.410 2.880 20 0 GFADRL C[C@@H]1CCCCN1C(=O)c1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1 ZINC000299538933 600676193 /nfs/dbraw/zinc/67/61/93/600676193.db2.gz APJOLEZICLPIGS-GFCCVEGCSA-N -2 0 391.449 2.528 20 0 GFADRL CC(C)c1noc(-c2ccc([N-]S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)cc2)n1 ZINC000524380942 600679580 /nfs/dbraw/zinc/67/95/80/600679580.db2.gz FTKUWMPBSHQWTG-UHFFFAOYSA-N -2 0 376.394 2.687 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(-c3noc(C(F)F)n3)cc2)c[nH]1 ZINC000363594710 600679810 /nfs/dbraw/zinc/67/98/10/600679810.db2.gz FDVDNPOEJBMOCS-UHFFFAOYSA-N -2 0 384.320 2.501 20 0 GFADRL Cc1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1OCCC(C)C ZINC000832950495 600684308 /nfs/dbraw/zinc/68/43/08/600684308.db2.gz LKXRZIOMCIFJSL-UHFFFAOYSA-N -2 0 381.454 2.502 20 0 GFADRL COc1ccc(Oc2ccc([N-]S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)cn2)cc1 ZINC000607616615 600684692 /nfs/dbraw/zinc/68/46/92/600684692.db2.gz XPBYAZJXGZQHIN-UHFFFAOYSA-N -2 0 389.389 2.710 20 0 GFADRL Cc1ccc(N2CCOC2=O)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000745979638 600691098 /nfs/dbraw/zinc/69/10/98/600691098.db2.gz ZDNZQKVHRWJOAV-UHFFFAOYSA-N -2 0 394.380 2.590 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2ccnn2CCc2ccccc2)cc1C(=O)[O-] ZINC000832956690 600815374 /nfs/dbraw/zinc/81/53/74/600815374.db2.gz SNBQUUFSCASLMP-UHFFFAOYSA-N -2 0 385.445 2.933 20 0 GFADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2cccc3cccnc32)c1OC ZINC000467322567 600897599 /nfs/dbraw/zinc/89/75/99/600897599.db2.gz MODCRJKKQCJJSV-UHFFFAOYSA-N -2 0 388.401 2.751 20 0 GFADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)c1OC ZINC000467298208 600898618 /nfs/dbraw/zinc/89/86/18/600898618.db2.gz BPNXEWWEQGOJFH-UHFFFAOYSA-N -2 0 391.323 2.620 20 0 GFADRL CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000829009788 600943515 /nfs/dbraw/zinc/94/35/15/600943515.db2.gz QFAKLQYMNVWXHP-INWMFGNUSA-N -2 0 383.466 2.564 20 0 GFADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ncc(C(C)(C)C)s1 ZINC000831374775 600985739 /nfs/dbraw/zinc/98/57/39/600985739.db2.gz VDANXEHHDPXTKQ-UHFFFAOYSA-N -2 0 398.462 2.726 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cccc(NC(=O)C(C)C)c1 ZINC000831946340 601151350 /nfs/dbraw/zinc/15/13/50/601151350.db2.gz UXECVDPZDRPGJA-UHFFFAOYSA-N -2 0 398.462 2.850 20 0 GFADRL Cc1ccc2[nH]cc(CCC(=O)[N-]S(=O)(=O)c3ccc(C(=O)[O-])s3)c2c1 ZINC000832959771 601192679 /nfs/dbraw/zinc/19/26/79/601192679.db2.gz YGGCVGRSAMDOIU-UHFFFAOYSA-N -2 0 392.458 2.674 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cc(C)nn1-c1ccccc1 ZINC000831945929 601200957 /nfs/dbraw/zinc/20/09/57/601200957.db2.gz MMMXSXSHXQKIAZ-UHFFFAOYSA-N -2 0 393.446 2.750 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)c2ccc(Oc3ccccc3)o2)s1 ZINC000833148378 601207236 /nfs/dbraw/zinc/20/72/36/601207236.db2.gz IDLGFCLCQBPDDG-UHFFFAOYSA-N -2 0 393.398 2.950 20 0 GFADRL COc1cc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)c(Cl)cc1C(=O)[O-] ZINC000485264141 601224045 /nfs/dbraw/zinc/22/40/45/601224045.db2.gz WQZLGYAXEOLGCW-UHFFFAOYSA-N -3 0 399.808 2.854 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2ccnn2Cc2ccc(C)cc2)cc1C(=O)[O-] ZINC000832936163 601229498 /nfs/dbraw/zinc/22/94/98/601229498.db2.gz ZQGBCHNEVVWZQH-UHFFFAOYSA-N -2 0 375.406 2.640 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2ccc(C(=O)NC(C)(C)C)cc2)cc1C(=O)[O-] ZINC000833030132 601232271 /nfs/dbraw/zinc/23/22/71/601232271.db2.gz RWEQPCPQJVMISF-UHFFFAOYSA-N -2 0 380.422 2.615 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2ccc(OC[C@@H]3CCCO3)cc2)cc1C(=O)[O-] ZINC000833030541 601232295 /nfs/dbraw/zinc/23/22/95/601232295.db2.gz ZZLFEWUGTLIXBX-AWEZNQCLSA-N -2 0 381.406 2.645 20 0 GFADRL O=C([O-])[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)C1 ZINC000833185091 601239630 /nfs/dbraw/zinc/23/96/30/601239630.db2.gz VJCPQBZWNGJDOM-BDAKNGLRSA-N -2 0 397.346 2.540 20 0 GFADRL COc1ccccc1-c1cc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])n[nH]1 ZINC000832578486 601241324 /nfs/dbraw/zinc/24/13/24/601241324.db2.gz XVRPKEDPAXHCGS-UHFFFAOYSA-N -2 0 379.419 2.646 20 0 GFADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)n1 ZINC000248608133 601278756 /nfs/dbraw/zinc/27/87/56/601278756.db2.gz VYAZPMXPMRFOHC-KCXAZCMYSA-N -2 0 387.411 2.883 20 0 GFADRL O=C([O-])CN(Cc1ccc(Cl)cc1)C(=O)CSc1n[n-]c(=S)s1 ZINC000833249280 601280370 /nfs/dbraw/zinc/28/03/70/601280370.db2.gz QWKNOKQIFZRQIR-UHFFFAOYSA-N -2 0 389.911 2.686 20 0 GFADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)n1 ZINC000832889672 601285151 /nfs/dbraw/zinc/28/51/51/601285151.db2.gz LZRJJDOTKNBMBX-UHFFFAOYSA-N -2 0 381.363 2.880 20 0 GFADRL CC(=O)Nc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000737549855 601327142 /nfs/dbraw/zinc/32/71/42/601327142.db2.gz RDHDNJBMTIQOMG-UHFFFAOYSA-N -2 0 386.788 2.937 20 0 GFADRL COC(=O)c1cc(OC)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000067874449 601327428 /nfs/dbraw/zinc/32/74/28/601327428.db2.gz SBNDBVNWOMARTQ-UHFFFAOYSA-N -2 0 393.417 2.598 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c(OC)c1OC ZINC000263905729 601329572 /nfs/dbraw/zinc/32/95/72/601329572.db2.gz HPTFYBIAPNUAEZ-UHFFFAOYSA-N -2 0 395.433 2.828 20 0 GFADRL O=C([O-])c1nc(Cl)ccc1S(=O)(=O)[N-]c1cccc(-c2cnco2)c1 ZINC000833345355 601385240 /nfs/dbraw/zinc/38/52/40/601385240.db2.gz VYIGNQNNBRKFEI-UHFFFAOYSA-N -2 0 379.781 2.889 20 0 GFADRL CCc1ccc(NS(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)c(C(=O)[O-])c1 ZINC000751143389 601483783 /nfs/dbraw/zinc/48/37/83/601483783.db2.gz PUMDVHPYARXQGZ-UHFFFAOYSA-N -2 0 385.344 2.724 20 0 GFADRL C[C@H](NC(=O)c1nn(-c2cc(Cl)c(Cl)cc2Cl)cc1[O-])C(=O)[O-] ZINC000832840189 601755832 /nfs/dbraw/zinc/75/58/32/601755832.db2.gz LWZSEWQSVGBZIP-YFKPBYRVSA-N -2 0 378.599 2.741 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2c(-c3cccs3)nc3ccccn32)c[nH]1 ZINC000833304092 601770460 /nfs/dbraw/zinc/77/04/60/601770460.db2.gz QGRLUJHRGMOHKK-UHFFFAOYSA-N -2 0 388.430 2.890 20 0 GFADRL NC(=O)c1oc2ccccc2c1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000833087553 601827890 /nfs/dbraw/zinc/82/78/90/601827890.db2.gz JXHGIYDZCCQEFL-UHFFFAOYSA-N -2 0 394.792 2.684 20 0 GFADRL Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000762616417 601880999 /nfs/dbraw/zinc/88/09/99/601880999.db2.gz CIVAKWNZFSMART-UHFFFAOYSA-N -3 0 387.772 2.985 20 0 GFADRL Cc1cc(S(=O)(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)cc(C(=O)[O-])c1F ZINC000370566320 601985647 /nfs/dbraw/zinc/98/56/47/601985647.db2.gz VAPLBVNWRGJFRD-LLVKDONJSA-N -2 0 393.392 2.600 20 0 GFADRL CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000462109387 601988220 /nfs/dbraw/zinc/98/82/20/601988220.db2.gz QDIKRJASVCQDOR-UHFFFAOYSA-N -2 0 377.418 2.936 20 0 GFADRL CC(=O)N1c2ccc(S(=O)(=O)[N-]c3cc(C(=O)[O-])cs3)cc2C[C@H]1C ZINC000825855220 602117321 /nfs/dbraw/zinc/11/73/21/602117321.db2.gz WMKNTQLNMMNQSV-SECBINFHSA-N -2 0 380.447 2.545 20 0 GFADRL NC(=O)c1sccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000755255471 602153549 /nfs/dbraw/zinc/15/35/49/602153549.db2.gz DPDCCWYZWNALTN-UHFFFAOYSA-N -2 0 395.245 2.653 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1nnc(-c2ccccc2)s1 ZINC000831950949 602306078 /nfs/dbraw/zinc/30/60/78/602306078.db2.gz ZFMPBONWDJROFG-UHFFFAOYSA-N -2 0 397.459 2.774 20 0 GFADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2nnc(-c3ccccc3)s2)cc1 ZINC000833267596 602306633 /nfs/dbraw/zinc/30/66/33/602306633.db2.gz LFTJHAVZOVAWMQ-UHFFFAOYSA-N -2 0 375.431 2.633 20 0 GFADRL CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(OCC(=O)[O-])c2)c1 ZINC000825951268 602315811 /nfs/dbraw/zinc/31/58/11/602315811.db2.gz DHZHNVJEZYHDFF-UHFFFAOYSA-N -2 0 383.809 2.807 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccccc1OCC(F)F ZINC000831946003 602321041 /nfs/dbraw/zinc/32/10/41/602321041.db2.gz ORKGOWNLSVDGIM-UHFFFAOYSA-N -2 0 393.389 2.900 20 0 GFADRL O=C([O-])Nc1cc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2F)ccc1F ZINC000740699043 602566758 /nfs/dbraw/zinc/56/67/58/602566758.db2.gz QJLBQYCMPZRYGW-UHFFFAOYSA-N -2 0 390.751 2.827 20 0 GFADRL COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1ccccc1NC(=O)[O-] ZINC000739925788 602653204 /nfs/dbraw/zinc/65/32/04/602653204.db2.gz VAWRJCWNMNNVSQ-UHFFFAOYSA-N -2 0 379.394 2.544 20 0 GFADRL Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccc(NC(=O)[O-])cc1C(F)(F)F ZINC000740246784 603151667 /nfs/dbraw/zinc/15/16/67/603151667.db2.gz RAZKXHOZSWSDNF-UHFFFAOYSA-N -2 0 392.359 2.946 20 0 GFADRL O=C([O-])Nc1ccc(CCNC(=O)CC2(C(=O)[O-])Cc3ccccc3C2)cc1 ZINC000832840785 604158206 /nfs/dbraw/zinc/15/82/06/604158206.db2.gz GVHPQZBTNRDTSB-UHFFFAOYSA-N -2 0 382.416 2.695 20 0 GFADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CCC[C@H]([C@H](C)NC(=O)[O-])C2)n1 ZINC000830068836 604251138 /nfs/dbraw/zinc/25/11/38/604251138.db2.gz PLJUDLUNAHGZPL-STQMWFEESA-N -2 0 390.415 2.534 20 0 GFADRL C[C@H](CC(=O)[N-]S(=O)(=O)c1cccc(Cl)c1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824678645 604394107 /nfs/dbraw/zinc/39/41/07/604394107.db2.gz DMDWAYKILHRHLY-VXGBXAGGSA-N -2 0 388.873 2.561 20 0 GFADRL CC(C)(C)O[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000833445517 604495618 /nfs/dbraw/zinc/49/56/18/604495618.db2.gz ABVKXQHQERAXTI-MRXNPFEDSA-N -2 0 391.445 2.746 20 0 GFADRL CN(c1ccccc1C(=O)[O-])S(=O)(=O)c1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC000790406408 604631884 /nfs/dbraw/zinc/63/18/84/604631884.db2.gz UHPHIHAVJXIMEP-UHFFFAOYSA-N -2 0 387.772 2.701 20 0 GFADRL CC(C)(C)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)c(C(=O)[O-])c1 ZINC000833448784 604687496 /nfs/dbraw/zinc/68/74/96/604687496.db2.gz HIQPQNCRRRDACW-UHFFFAOYSA-N -3 0 378.406 2.576 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)c(F)c2)c(OC)c1C(=O)[O-] ZINC000833734713 604861907 /nfs/dbraw/zinc/86/19/07/604861907.db2.gz UTMYGABXHAZFNW-UHFFFAOYSA-N -2 0 391.323 2.620 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2cnc3c(Cl)c(C)nn3c2)sc1C(=O)[O-] ZINC000833746928 605150700 /nfs/dbraw/zinc/15/07/00/605150700.db2.gz LXVSJBWVVGBMIE-UHFFFAOYSA-N -2 0 386.842 2.560 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)c(Br)c1 ZINC000833733318 605187848 /nfs/dbraw/zinc/18/78/48/605187848.db2.gz NSTCDLLTZLKCNE-UHFFFAOYSA-N -2 0 376.184 2.550 20 0 GFADRL Cc1cnn(-c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000833754406 605190823 /nfs/dbraw/zinc/19/08/23/605190823.db2.gz NXETYQFHNWTWQF-UHFFFAOYSA-N -2 0 393.371 2.958 20 0 GFADRL Cc1nn2cc(S(=O)(=O)[N-]c3ccc(NC(=O)[O-])cc3)cnc2c1Cl ZINC000833922017 605332660 /nfs/dbraw/zinc/33/26/60/605332660.db2.gz NADAZCZZVNWWAR-UHFFFAOYSA-N -2 0 381.801 2.582 20 0 GFADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CC[C@H](NC(=O)[O-])C[C@H]3C)n2)c1 ZINC000824470318 605359092 /nfs/dbraw/zinc/35/90/92/605359092.db2.gz NZEHNHKHPYRGBJ-HIFRSBDPSA-N -2 0 386.452 2.962 20 0 GFADRL O=C([O-])[C@@H](CNC(=O)C1CCN(C(=O)[O-])CC1)Cc1cccc2ccccc21 ZINC000834060392 606061765 /nfs/dbraw/zinc/06/17/65/606061765.db2.gz YGKKRARVXBHUFX-QGZVFWFLSA-N -2 0 384.432 2.589 20 0 GFADRL CS(C)(=O)=NS(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1Oc1ccccc1 ZINC000821173686 660317942 /nfs/dbraw/zinc/31/79/42/660317942.db2.gz UYDXSSXTJXALAL-UHFFFAOYSA-N -2 0 384.435 2.561 20 0 GFADRL COC(=O)c1sccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000013029047 654502715 /nfs/dbraw/zinc/50/27/15/654502715.db2.gz XSXQPBYZPUUZTG-UHFFFAOYSA-N -2 0 375.811 2.687 20 0 GFADRL COc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2F)c(C(=O)[O-])cc1OC ZINC000013263168 654503624 /nfs/dbraw/zinc/50/36/24/654503624.db2.gz ADMFLRZHAHYCOZ-UHFFFAOYSA-N -2 0 389.788 2.995 20 0 GFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2sccc2Br)c(O)c1 ZINC000049060842 654714548 /nfs/dbraw/zinc/71/45/48/654714548.db2.gz PQILGISXVJQWKW-UHFFFAOYSA-N -2 0 378.225 2.715 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc1NC(C)=O ZINC000055582279 654778223 /nfs/dbraw/zinc/77/82/23/654778223.db2.gz QBPBWVZNUFSYJK-UHFFFAOYSA-N -2 0 384.435 2.523 20 0 GFADRL O=C([O-])C1CCC([N-]S(=O)(=O)c2cc(F)c(Br)cc2F)CC1 ZINC000262419579 655445523 /nfs/dbraw/zinc/44/55/23/655445523.db2.gz MWFPYEFOURLAKW-UHFFFAOYSA-N -2 0 398.225 2.649 20 0 GFADRL Cc1nc(C)c(S(=O)(=O)[N-]c2ccc3c(C(=O)[O-])c[nH]c(=O)c3c2)s1 ZINC000579192882 655495864 /nfs/dbraw/zinc/49/58/64/655495864.db2.gz XAOSZUKYECQVAR-UHFFFAOYSA-N -2 0 379.419 2.513 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(OCCO)cc2)c1Cl ZINC000753781119 655858631 /nfs/dbraw/zinc/85/86/31/655858631.db2.gz URYNWYSJAAECMM-UHFFFAOYSA-N -2 0 385.825 2.519 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnoc2C2CC2)c(Br)s1 ZINC000840918501 661208136 /nfs/dbraw/zinc/20/81/36/661208136.db2.gz UYDMXTJYZORJAD-UHFFFAOYSA-N -2 0 393.240 2.875 20 0 GFADRL Cn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c(C(F)(F)F)n1 ZINC000766051395 656158802 /nfs/dbraw/zinc/15/88/02/656158802.db2.gz ZICCOPVKNNCRCO-UHFFFAOYSA-N -2 0 383.735 2.591 20 0 GFADRL Cc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2c(Cl)nc3ccccn32)cc1F ZINC000776585740 656763037 /nfs/dbraw/zinc/76/30/37/656763037.db2.gz WVNPRUFJCHBHEX-UHFFFAOYSA-N -2 0 383.788 2.934 20 0 GFADRL COc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)c(Cl)c2F)c1O ZINC000779843084 656948833 /nfs/dbraw/zinc/94/88/33/656948833.db2.gz BFBKTGHHOHKGMQ-UHFFFAOYSA-N -2 0 393.751 2.831 20 0 GFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c(O)c1 ZINC000783817565 657263692 /nfs/dbraw/zinc/26/36/92/657263692.db2.gz VKPRNFNMOANUQT-UHFFFAOYSA-N -2 0 383.250 2.587 20 0 GFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc3c(c2)COC3)cc1C(=O)[O-] ZINC000790405312 657970003 /nfs/dbraw/zinc/97/00/03/657970003.db2.gz QCXBGUFDSDWSOR-UHFFFAOYSA-N -2 0 383.809 2.878 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)nc2)c(OC(F)(F)F)c1 ZINC000792695841 658312094 /nfs/dbraw/zinc/31/20/94/658312094.db2.gz AYVCHEWOKZSRDO-UHFFFAOYSA-N -2 0 380.275 2.618 20 0 GFADRL CCc1oncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1Br ZINC000800844357 659338798 /nfs/dbraw/zinc/33/87/98/659338798.db2.gz VQYXQAURLJBNJF-UHFFFAOYSA-N -2 0 381.229 2.560 20 0 GFADRL C[C@@H](c1ccc(Cl)cc1Cl)S(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CC=CC1 ZINC000863956717 662350985 /nfs/dbraw/zinc/35/09/85/662350985.db2.gz FSDBUUQEOREOBK-VIFPVBQESA-N -2 0 392.260 2.921 20 0 GFADRL C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1oc2ccccc2c1Br ZINC000864433040 662370931 /nfs/dbraw/zinc/37/09/31/662370931.db2.gz FNPKYJGPOZMTMN-MRVPVSSYSA-N -2 0 376.228 2.727 20 0 GFADRL O=C([O-])c1cc2c(cc1[N-]S(=O)(=O)c1ccc(Cl)cc1F)OCCO2 ZINC000013090240 551108407 /nfs/dbraw/zinc/10/84/07/551108407.db2.gz LBKXWDZZABSEGB-UHFFFAOYSA-N -2 0 387.772 2.749 20 0 GFADRL O=C([O-])c1cc([N-]S(=O)(=O)c2cncc(Br)c2)ccc1Cl ZINC000044243050 551143588 /nfs/dbraw/zinc/14/35/88/551143588.db2.gz MMEPCMZQJNMNNX-UHFFFAOYSA-N -2 0 391.630 2.997 20 0 GFADRL Cc1cc(C(=O)Nc2cccc(Br)c2C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000174510126 552105812 /nfs/dbraw/zinc/10/58/12/552105812.db2.gz LPGUERSBVMKHSI-UHFFFAOYSA-N -2 0 389.209 2.655 20 0 GFADRL COCCOc1cc(C)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000327277181 563457254 /nfs/dbraw/zinc/45/72/54/563457254.db2.gz FMMSPZSREJSMSJ-UHFFFAOYSA-N -2 0 385.463 2.889 20 0 GFADRL CN(C)C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000327934806 563459853 /nfs/dbraw/zinc/45/98/53/563459853.db2.gz OOPLTOPIYCPWRD-UHFFFAOYSA-N -2 0 382.825 2.541 20 0 GFADRL NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cc1Cl ZINC000392182619 563526131 /nfs/dbraw/zinc/52/61/31/563526131.db2.gz MYUYHESHVGTTGS-UHFFFAOYSA-N -2 0 389.216 2.591 20 0 GFADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(C)c1C(F)(F)F ZINC000436162249 563665698 /nfs/dbraw/zinc/66/56/98/563665698.db2.gz QYUHDXAPIVJTSX-UHFFFAOYSA-N -2 0 377.344 2.500 20 0 GFADRL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1O ZINC000436993446 563687505 /nfs/dbraw/zinc/68/75/05/563687505.db2.gz CEMIYTNLKCRSFA-UHFFFAOYSA-N -3 0 385.781 2.551 20 0 GFADRL CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000438798928 563710862 /nfs/dbraw/zinc/71/08/62/563710862.db2.gz ZJBPBYPZKJTFII-UHFFFAOYSA-N -2 0 382.825 2.589 20 0 GFADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)[O-])cc1F ZINC000446150015 563859460 /nfs/dbraw/zinc/85/94/60/563859460.db2.gz RSLOQLFMOHVNOK-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL CCc1oncc1[N-]S(=O)(=O)c1cc(Br)cc(C(=O)[O-])c1F ZINC000509383899 564295392 /nfs/dbraw/zinc/29/53/92/564295392.db2.gz JRRWIVVCKASODB-UHFFFAOYSA-N -2 0 393.190 2.638 20 0 GFADRL CCc1oncc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1OC(F)(F)F ZINC000509391713 564295482 /nfs/dbraw/zinc/29/54/82/564295482.db2.gz LBPKAJMWPNZUAO-UHFFFAOYSA-N -2 0 380.300 2.635 20 0 GFADRL COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1C ZINC000476760211 564352915 /nfs/dbraw/zinc/35/29/15/564352915.db2.gz AAVYWVIKSDROBP-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])c1 ZINC000512768167 564410760 /nfs/dbraw/zinc/41/07/60/564410760.db2.gz WXWUZHPLVKAGEK-UHFFFAOYSA-N -3 0 387.772 2.985 20 0 GFADRL COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]c1c(C)cccc1C(=O)[O-] ZINC000547546807 564492638 /nfs/dbraw/zinc/49/26/38/564492638.db2.gz YAFQCVXKAWKZAK-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL O=C([O-])c1c[nH]c2cc([N-]S(=O)(=O)c3ccc(Br)cn3)ccc12 ZINC000547553148 564493555 /nfs/dbraw/zinc/49/35/55/564493555.db2.gz CEWVKFUTAMUSDD-UHFFFAOYSA-N -2 0 396.222 2.824 20 0 GFADRL O=C([O-])CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000570400673 564504508 /nfs/dbraw/zinc/50/45/08/564504508.db2.gz CKWLYYWUSMGLTJ-GZMMTYOYSA-N -2 0 383.363 2.945 20 0 GFADRL CC(=O)Nc1cc(Cl)ccc1[N-]S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000570825685 564523027 /nfs/dbraw/zinc/52/30/27/564523027.db2.gz RUVCUTHYUAEBBW-UHFFFAOYSA-N -2 0 382.825 2.726 20 0 GFADRL O=C([O-])[C@@H](Cc1ccco1)NS(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000548591452 564564525 /nfs/dbraw/zinc/56/45/25/564564525.db2.gz FGVNEGSZZUQHMQ-LLVKDONJSA-N -2 0 397.758 2.926 20 0 GFADRL CC(C)=CCSC[C@@H](NS(=O)(=O)c1cc(F)c(F)cc1F)C(=O)[O-] ZINC000548591714 564564762 /nfs/dbraw/zinc/56/47/62/564564762.db2.gz MFAGTTNWSXPSBB-GFCCVEGCSA-N -2 0 383.413 2.535 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2O)c(C)c1OCC(=O)[O-] ZINC000525370120 564698865 /nfs/dbraw/zinc/69/88/65/564698865.db2.gz DOFFUHPXKULZBF-UHFFFAOYSA-N -2 0 385.825 2.927 20 0 GFADRL CCc1ncc(S(=O)(=O)[N-]c2c(OC)ccc(Cl)c2C(=O)[O-])s1 ZINC000460796898 564780826 /nfs/dbraw/zinc/78/08/26/564780826.db2.gz VRZIKKASXLOWFY-UHFFFAOYSA-N -2 0 376.843 2.867 20 0 GFADRL COc1ccccc1[C@@H](CC(C)C)NS(=O)(=O)c1csnc1C(=O)[O-] ZINC000582418380 564845301 /nfs/dbraw/zinc/84/53/01/564845301.db2.gz VVZXTXSWKYLCFW-GFCCVEGCSA-N -2 0 384.479 2.916 20 0 GFADRL CC(C)(CNS(=O)(=O)c1cc(Cl)ccc1OCC1CCC1)C(=O)[O-] ZINC000530339887 564876630 /nfs/dbraw/zinc/87/66/30/564876630.db2.gz GOOSRVUTWALYSR-UHFFFAOYSA-N -2 0 375.874 2.908 20 0 GFADRL CC[C@@H](CC[N-]S(=O)(=O)c1cc(F)c(Br)cc1F)C(=O)[O-] ZINC000583248113 564882584 /nfs/dbraw/zinc/88/25/84/564882584.db2.gz RIWFRMRERRVNIZ-ZETCQYMHSA-N -2 0 386.214 2.507 20 0 GFADRL C[C@H]([C@H]([N-]S(=O)(=O)c1cc(F)c(Br)cc1F)C(=O)[O-])C1CC1 ZINC000558685099 564911233 /nfs/dbraw/zinc/91/12/33/564911233.db2.gz NDULMOPDRZYEGA-QTTZVWFDSA-N -2 0 398.225 2.505 20 0 GFADRL C[C@@H]([C@@H]([N-]S(=O)(=O)c1cc(F)c(Br)cc1F)C(=O)[O-])C1CC1 ZINC000558685100 564911502 /nfs/dbraw/zinc/91/15/02/564911502.db2.gz NDULMOPDRZYEGA-SREIQFSDSA-N -2 0 398.225 2.505 20 0 GFADRL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(Cl)cnc1N ZINC000533166368 564956427 /nfs/dbraw/zinc/95/64/27/564956427.db2.gz CEGBYCOWDBBPPC-UHFFFAOYSA-N -2 0 385.829 2.603 20 0 GFADRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000505131203 565049352 /nfs/dbraw/zinc/04/93/52/565049352.db2.gz XZVYXPMZBICRFI-UHFFFAOYSA-N -2 0 383.809 2.783 20 0 GFADRL CCOC(=O)c1ccc(S(=O)(=O)[N-]c2c(C)c(Cl)ccc2C(=O)[O-])o1 ZINC000614326227 565108565 /nfs/dbraw/zinc/10/85/65/565108565.db2.gz ZIFDDLGIWSSBEK-UHFFFAOYSA-N -2 0 387.797 2.917 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2OCc2cscn2)c[nH]1 ZINC000588622336 565134291 /nfs/dbraw/zinc/13/42/91/565134291.db2.gz FDSJNIRYXFGRRR-UHFFFAOYSA-N -2 0 379.419 2.549 20 0 GFADRL CC1(C)C[C@@H](S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC(F)(F)F)CO1 ZINC000629296725 565837362 /nfs/dbraw/zinc/83/73/62/565837362.db2.gz VEYXMRKXJSLPTH-SECBINFHSA-N -2 0 383.344 2.593 20 0 GFADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1[C@H]1CCC(=O)N1 ZINC000629330412 565843810 /nfs/dbraw/zinc/84/38/10/565843810.db2.gz USAILYRWTNGBJU-LLVKDONJSA-N -2 0 380.447 2.507 20 0 GFADRL COc1cc(S(=O)(=O)[N-]c2cccc3n[nH]cc32)c(Cl)cc1C(=O)[O-] ZINC000674050140 565858330 /nfs/dbraw/zinc/85/83/30/565858330.db2.gz GXIFGXKVUOVGBB-UHFFFAOYSA-N -2 0 381.797 2.724 20 0 GFADRL Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Br)c1O ZINC000674755036 565882318 /nfs/dbraw/zinc/88/23/18/565882318.db2.gz PMTLDTDWEWOWEP-UHFFFAOYSA-N -2 0 386.223 2.962 20 0 GFADRL CC1(c2cc(=O)n(-c3ccc(S(=O)(=O)[N-]c4nccs4)cc3)[n-]2)CC1 ZINC000634617442 566161069 /nfs/dbraw/zinc/16/10/69/566161069.db2.gz OYKLMJMNRRVEAC-UHFFFAOYSA-N -2 0 376.463 2.837 20 0 GFADRL O=C([O-])CNC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1O ZINC000740484840 597028567 /nfs/dbraw/zinc/02/85/67/597028567.db2.gz QFHCMWBWFRKOSC-UHFFFAOYSA-N -2 0 383.187 2.766 20 0 GFADRL C[C@]1(C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)CCCc2ccccc21 ZINC000736728029 599798450 /nfs/dbraw/zinc/79/84/50/599798450.db2.gz JEPVGQFQDZISEX-FQEVSTJZSA-N -2 0 387.457 2.625 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2nc3c(cc(F)c(F)c3F)s2)o1 ZINC000740187116 599802915 /nfs/dbraw/zinc/80/29/15/599802915.db2.gz GSESDFMFYBFDGF-UHFFFAOYSA-N -2 0 378.309 2.806 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(SC)cc2)c(C(=O)[O-])s1 ZINC000737680270 599813709 /nfs/dbraw/zinc/81/37/09/599813709.db2.gz GUCJYQSJXUSJMA-UHFFFAOYSA-N -2 0 387.460 2.756 20 0 GFADRL CC1=C(C(=O)[O-])[C@@H](c2cnn3ccccc23)NC(=O)N1c1ccc(C(=O)[O-])cc1 ZINC000736751426 599849770 /nfs/dbraw/zinc/84/97/70/599849770.db2.gz PPNLQILLNBCKTQ-QGZVFWFLSA-N -2 0 392.371 2.662 20 0 GFADRL CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])cc1 ZINC000727797749 599850623 /nfs/dbraw/zinc/85/06/23/599850623.db2.gz VKVUMUNGWGGIRB-UHFFFAOYSA-N -2 0 381.381 2.892 20 0 GFADRL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]c2ccsc2C(=O)[O-])cc1Cl ZINC000736157196 599851133 /nfs/dbraw/zinc/85/11/33/599851133.db2.gz FVIZVTYVFRJJGQ-UHFFFAOYSA-N -2 0 392.817 2.998 20 0 GFADRL CCC1=C(C(=O)[O-])[C@@H](c2cccc(OCCC(=O)[O-])c2)NC(=O)N1CC1CC1 ZINC000736931589 599988145 /nfs/dbraw/zinc/98/81/45/599988145.db2.gz GPIMVKUHSYMMPY-GOSISDBHSA-N -2 0 388.420 2.765 20 0 GFADRL Cc1oc(C)c(S(=O)(=O)[N-]c2cnc(-c3cccc(O)c3)nc2)c1C(=O)[O-] ZINC000738969227 600026736 /nfs/dbraw/zinc/02/67/36/600026736.db2.gz KCPVLGYVNGRHOK-UHFFFAOYSA-N -2 0 389.389 2.558 20 0 GFADRL CC1(C)Cc2nc([N-]S(=O)(=O)c3cc(F)ccc3C(=O)[O-])sc2C(=O)C1 ZINC000736726530 600051906 /nfs/dbraw/zinc/05/19/06/600051906.db2.gz LPXOWNHQVVPDSB-UHFFFAOYSA-N -2 0 398.437 2.936 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])n(-c2ccccn2)n1 ZINC000738463668 600052197 /nfs/dbraw/zinc/05/21/97/600052197.db2.gz OVMHFJIMFCDQTN-UHFFFAOYSA-N -2 0 392.824 2.728 20 0 GFADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1nc(CN2CCCCC2)cs1 ZINC000738347711 600053989 /nfs/dbraw/zinc/05/39/89/600053989.db2.gz SIIFJJVAJDJUGQ-UHFFFAOYSA-N -2 0 395.506 2.936 20 0 GFADRL O=C([O-])Cc1csc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)n1 ZINC000738632906 600054327 /nfs/dbraw/zinc/05/43/27/600054327.db2.gz IPBNWYHQLZPEMD-UHFFFAOYSA-N -2 0 396.368 2.512 20 0 GFADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2c3c(nn2-c2ccccc2)CCC3)c1 ZINC000738689394 600055191 /nfs/dbraw/zinc/05/51/91/600055191.db2.gz VCJPALPPAZYUEQ-UHFFFAOYSA-N -2 0 383.429 2.860 20 0 GFADRL CCOc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C(=O)OC)ccc1C ZINC000737192651 600100236 /nfs/dbraw/zinc/10/02/36/600100236.db2.gz WXYCQPWLDSTDEF-UHFFFAOYSA-N -2 0 393.417 2.679 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(-c3ccc4c(c3)CCO4)n2)o1 ZINC000740187523 600104249 /nfs/dbraw/zinc/10/42/49/600104249.db2.gz PDVYVCGNPIUEPI-UHFFFAOYSA-N -2 0 386.385 2.776 20 0 GFADRL CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cc1C ZINC000736158983 600231678 /nfs/dbraw/zinc/23/16/78/600231678.db2.gz DQSNIKLUNHXFEW-UHFFFAOYSA-N -2 0 384.360 2.731 20 0 GFADRL CCNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1 ZINC000737123539 600232175 /nfs/dbraw/zinc/23/21/75/600232175.db2.gz DNJAJQRHGLZHOL-UHFFFAOYSA-N -2 0 398.387 2.522 20 0 GFADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(Oc3ccc(C)cc3)nc2)c1C(=O)[O-] ZINC000738648307 600232293 /nfs/dbraw/zinc/23/22/93/600232293.db2.gz ANCVWRIVRGNXGN-UHFFFAOYSA-N -2 0 388.405 2.713 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(-c3cc[nH]n3)cc2)c(F)cc1F ZINC000740089895 600234249 /nfs/dbraw/zinc/23/42/49/600234249.db2.gz MRWXSYLLDUVAGI-UHFFFAOYSA-N -2 0 379.344 2.854 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)c(F)cc1F ZINC000737681743 600236508 /nfs/dbraw/zinc/23/65/08/600236508.db2.gz UQMZNLIUAQUIST-UHFFFAOYSA-N -2 0 399.371 2.569 20 0 GFADRL Cn1c2ccc(Cl)cc2nc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000739014719 600244445 /nfs/dbraw/zinc/24/44/45/600244445.db2.gz VWXJAWJRARRINO-UHFFFAOYSA-N -2 0 379.825 2.655 20 0 GFADRL CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])c(O)c1 ZINC000737154834 600245527 /nfs/dbraw/zinc/24/55/27/600245527.db2.gz DOBSYVFCAMKURB-UHFFFAOYSA-N -2 0 399.808 2.721 20 0 GFADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)c(F)c2)c1 ZINC000740145029 600459421 /nfs/dbraw/zinc/45/94/21/600459421.db2.gz UFRUJORZTJPYQC-UHFFFAOYSA-N -2 0 396.371 2.591 20 0 GFADRL O=C([O-])COc1cccc(CNC(=O)c2cc(Br)ccc2O)c1 ZINC000739834126 600575949 /nfs/dbraw/zinc/57/59/49/600575949.db2.gz GPHNZXPWSGDAJM-UHFFFAOYSA-N -2 0 380.194 2.548 20 0 GFADRL Cc1cccc(Cn2nccc2[N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1 ZINC000738721072 600629680 /nfs/dbraw/zinc/62/96/80/600629680.db2.gz IOWFBZXFRHDURW-UHFFFAOYSA-N -2 0 385.445 2.668 20 0 GFADRL O=C([O-])c1cc(Br)cc(S(=O)(=O)[N-]c2ccc(Cl)nc2)c1 ZINC000740068868 600635050 /nfs/dbraw/zinc/63/50/50/600635050.db2.gz NWWGOFIJEAZNPF-UHFFFAOYSA-N -2 0 391.630 2.997 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2ccnn2-c2ccccc2C)cc1C(=O)[O-] ZINC000738069487 600659112 /nfs/dbraw/zinc/65/91/12/600659112.db2.gz ADCZETQAMPIRJB-UHFFFAOYSA-N -2 0 387.417 2.688 20 0 GFADRL Cn1nc(-c2ccncc2)cc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000739056576 600672936 /nfs/dbraw/zinc/67/29/36/600672936.db2.gz DPCJQCLPUQHFEA-UHFFFAOYSA-N -2 0 392.824 2.635 20 0 GFADRL CNC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000737543868 600785049 /nfs/dbraw/zinc/78/50/49/600785049.db2.gz UHUBLCFZEJBSQI-UHFFFAOYSA-N -2 0 382.825 2.507 20 0 GFADRL Cc1nc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])ccc1Br ZINC000833002509 600830459 /nfs/dbraw/zinc/83/04/59/600830459.db2.gz BAIRXHLDUOUZPO-UHFFFAOYSA-N -2 0 389.202 2.791 20 0 GFADRL CC[C@@](NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1)(C(=O)[O-])c1ccccc1 ZINC000828958014 600938592 /nfs/dbraw/zinc/93/85/92/600938592.db2.gz OJSAVAYTOVOMKX-NRFANRHFSA-N -2 0 379.416 2.594 20 0 GFADRL CCn1c(=O)c2ccc(C(=O)Oc3ccccc3CC(=O)[O-])cc2[n-]c1=S ZINC000830412519 600960272 /nfs/dbraw/zinc/96/02/72/600960272.db2.gz UHORQQINPAUUNP-UHFFFAOYSA-N -2 0 384.413 2.551 20 0 GFADRL C[C@H](c1cccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1)N1CCOCC1 ZINC000827942952 600979058 /nfs/dbraw/zinc/97/90/58/600979058.db2.gz VPFLVXYHHLFKBF-GFCCVEGCSA-N -2 0 396.490 2.640 20 0 GFADRL Cc1cc(Br)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccn2)s1 ZINC000832858577 600983026 /nfs/dbraw/zinc/98/30/26/600983026.db2.gz NDESJQJQHGWFPJ-UHFFFAOYSA-N -2 0 377.241 2.713 20 0 GFADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)[N-]c2ncc(C(C)C)s2)c1 ZINC000831368761 600984344 /nfs/dbraw/zinc/98/43/44/600984344.db2.gz FOTHFFUBEAFZSD-UHFFFAOYSA-N -2 0 384.435 2.552 20 0 GFADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N(CCC(=O)[O-])c1cccc(F)c1 ZINC000738543357 601118212 /nfs/dbraw/zinc/11/82/12/601118212.db2.gz RCYFDDKTCCHJQE-UHFFFAOYSA-N -2 0 381.381 2.502 20 0 GFADRL COc1ccc([C@@H](C)CC(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000832221263 601142225 /nfs/dbraw/zinc/14/22/25/601142225.db2.gz XPIUIZRHHWCCJD-ZDUSSCGKSA-N -2 0 391.445 2.533 20 0 GFADRL O=C([O-])c1cc(C(F)(F)F)cc(S(=O)(=O)[N-]C(=O)CCC2CCC2)c1 ZINC000833096683 601142492 /nfs/dbraw/zinc/14/24/92/601142492.db2.gz TVEPVZWRDZQMKF-UHFFFAOYSA-N -2 0 379.356 2.789 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc(OC(F)F)cc1 ZINC000831945058 601149989 /nfs/dbraw/zinc/14/99/89/601149989.db2.gz FAJSSCVLPLUQRN-UHFFFAOYSA-N -2 0 379.362 2.857 20 0 GFADRL Cc1ccc2[nH]cc(CCC(=O)[N-]S(=O)(=O)c3ccsc3C(=O)[O-])c2c1 ZINC000832958622 601192722 /nfs/dbraw/zinc/19/27/22/601192722.db2.gz CSWHEIZLDHTKDT-UHFFFAOYSA-N -2 0 392.458 2.674 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc(OC2CCCC2)nc1 ZINC000831945478 601203948 /nfs/dbraw/zinc/20/39/48/601203948.db2.gz IGITZYPWKPFZND-UHFFFAOYSA-N -2 0 398.462 2.972 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc(F)cc1OC(F)F ZINC000831944880 601204515 /nfs/dbraw/zinc/20/45/15/601204515.db2.gz ACEYIDJXFFKOSC-UHFFFAOYSA-N -2 0 397.352 2.996 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)N2CCCc3c(C(=O)[O-])cccc32)c1F ZINC000832865816 601224454 /nfs/dbraw/zinc/22/44/54/601224454.db2.gz RAJGZOIVJISZKB-UHFFFAOYSA-N -2 0 393.392 2.672 20 0 GFADRL COCc1nc2cc([N-]S(=O)(=O)c3c(C)oc(C)c3C(=O)[O-])ccc2o1 ZINC000831830943 601230111 /nfs/dbraw/zinc/23/01/11/601230111.db2.gz BALHDFIBQQDNDI-UHFFFAOYSA-N -2 0 380.378 2.683 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)cc1C(=O)[O-] ZINC000833030352 601230921 /nfs/dbraw/zinc/23/09/21/601230921.db2.gz TXPYNZPLHYMXMI-VXGBXAGGSA-N -2 0 394.449 2.701 20 0 GFADRL O=C([O-])[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)C1 ZINC000833185100 601239500 /nfs/dbraw/zinc/23/95/00/601239500.db2.gz VJCPQBZWNGJDOM-RKDXNWHRSA-N -2 0 397.346 2.540 20 0 GFADRL O=C([O-])[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)C1 ZINC000833183187 601239566 /nfs/dbraw/zinc/23/95/66/601239566.db2.gz ALCNLAFABYHFBN-IUCAKERBSA-N -2 0 397.346 2.540 20 0 GFADRL COc1cc(/C=C\C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc(C)c2O)c1OC ZINC000831972182 601241209 /nfs/dbraw/zinc/24/12/09/601241209.db2.gz FDLCIGKZAUKHDV-FPLPWBNLSA-N -2 0 393.417 2.616 20 0 GFADRL Cc1ccc(Cn2nccc2[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000738280673 601328697 /nfs/dbraw/zinc/32/86/97/601328697.db2.gz IFLNDYVGYQSWJG-UHFFFAOYSA-N -2 0 389.408 2.878 20 0 GFADRL O=C([O-])/C=C\c1ccc(S(=O)(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)cc1 ZINC000833197217 601332068 /nfs/dbraw/zinc/33/20/68/601332068.db2.gz MSANWMJRAAOMHX-JKEYDSJLSA-N -2 0 387.413 2.552 20 0 GFADRL COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)c1 ZINC000327265275 601334234 /nfs/dbraw/zinc/33/42/34/601334234.db2.gz CFJUEEFIYTYNAF-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCCCC2)cc1 ZINC000013059585 601356734 /nfs/dbraw/zinc/35/67/34/601356734.db2.gz XJQFSZFTTZHECY-UHFFFAOYSA-N -2 0 388.445 2.812 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2nc3cc(F)ccc3n2C)c1C ZINC000832866815 601361386 /nfs/dbraw/zinc/36/13/86/601361386.db2.gz WKPLGYNYXKRJRO-UHFFFAOYSA-N -2 0 377.397 2.828 20 0 GFADRL CC(C)Cn1cnc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC(C)C)c1 ZINC000484966608 601387748 /nfs/dbraw/zinc/38/77/48/601387748.db2.gz WTJPUVVXGCSAGX-UHFFFAOYSA-N -2 0 381.454 2.825 20 0 GFADRL CCn1nc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c1C ZINC000266040731 601484588 /nfs/dbraw/zinc/48/45/88/601484588.db2.gz PGMTYMBJYRXAQY-UHFFFAOYSA-N -2 0 375.809 2.811 20 0 GFADRL O=C([O-])c1nc(Cl)ccc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1O ZINC000833344720 601485258 /nfs/dbraw/zinc/48/52/58/601485258.db2.gz HEBFNTVYNPBNDW-UHFFFAOYSA-N -2 0 396.730 2.958 20 0 GFADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2nnc(Cc3ccc(F)cc3)s2)c1 ZINC000833334931 601504215 /nfs/dbraw/zinc/50/42/15/601504215.db2.gz URHNFHDGSATTNZ-UHFFFAOYSA-N -2 0 393.421 2.767 20 0 GFADRL O=C([O-])C[C@H](NC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1)C1CC1 ZINC000767076549 601532781 /nfs/dbraw/zinc/53/27/81/601532781.db2.gz YPBOZWQOUBMXIX-AWEZNQCLSA-N -2 0 394.474 2.532 20 0 GFADRL Cc1ccc(Oc2ccccc2)c([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c1 ZINC000832953424 601558020 /nfs/dbraw/zinc/55/80/20/601558020.db2.gz LUMZIJJEYDWNBZ-UHFFFAOYSA-N -2 0 387.417 2.869 20 0 GFADRL Cc1ccc(-c2cc([N-]S(=O)(=O)c3ccc(O)c(C(=O)[O-])c3)n[nH]2)s1 ZINC000832905869 601605492 /nfs/dbraw/zinc/60/54/92/601605492.db2.gz JXRDUKWAMCADLH-UHFFFAOYSA-N -2 0 379.419 2.651 20 0 GFADRL Cc1ccc(-n2[n-]c(C(=O)N[C@H](C(=O)[O-])c3ccc(Cl)cc3)cc2=O)cc1 ZINC000832910153 601700202 /nfs/dbraw/zinc/70/02/02/601700202.db2.gz QAVBSTLITZYASP-KRWDZBQOSA-N -2 0 385.807 2.683 20 0 GFADRL CCn1c(=O)c2ccc(C(=O)Nc3ccccc3CC(=O)[O-])cc2[n-]c1=S ZINC000737915980 601729772 /nfs/dbraw/zinc/72/97/72/601729772.db2.gz FJWJKVWREBFLQE-UHFFFAOYSA-N -2 0 383.429 2.585 20 0 GFADRL NC(=O)c1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000743265485 601830222 /nfs/dbraw/zinc/83/02/22/601830222.db2.gz PAYNMESOWKWPKZ-UHFFFAOYSA-N -2 0 389.216 2.591 20 0 GFADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ccc2c(c1)OC1(CCCC1)O2 ZINC000833345586 601832882 /nfs/dbraw/zinc/83/28/82/601832882.db2.gz DTJIXDKGORZYCV-UHFFFAOYSA-N -2 0 382.419 2.684 20 0 GFADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ccccc1NCC(F)(F)F ZINC000833346501 601838307 /nfs/dbraw/zinc/83/83/07/601838307.db2.gz QLUVIVOIMTXSDZ-UHFFFAOYSA-N -2 0 381.357 2.616 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2O[C@@H]2CCOC2)c(F)cc1F ZINC000833306269 601856197 /nfs/dbraw/zinc/85/61/97/601856197.db2.gz LXCUSGQXQVLAFD-SNVBAGLBSA-N -2 0 399.371 2.632 20 0 GFADRL O=C([O-])N1CCc2nc([N-]S(=O)(=O)c3ccc(Cl)s3)sc2C1 ZINC000740530619 601977416 /nfs/dbraw/zinc/97/74/16/601977416.db2.gz UOQFDTNXFHEBHO-UHFFFAOYSA-N -2 0 379.872 2.695 20 0 GFADRL Cc1n[nH]cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OCc1ccccc1 ZINC000832849378 601987413 /nfs/dbraw/zinc/98/74/13/601987413.db2.gz YONYRVVOVHGCPF-UHFFFAOYSA-N -2 0 387.417 2.796 20 0 GFADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2nnc(-c3ccsc3)s2)c1 ZINC000833318277 602103824 /nfs/dbraw/zinc/10/38/24/602103824.db2.gz LVJKOZOZVMSLPA-UHFFFAOYSA-N -2 0 385.423 2.905 20 0 GFADRL CC(C)n1cc(S(=O)(=O)[N-]c2ccc(OCC(=O)[O-])c3ccccc23)cn1 ZINC000827186478 602124207 /nfs/dbraw/zinc/12/42/07/602124207.db2.gz KVXPPRLDUXTTLS-UHFFFAOYSA-N -2 0 389.433 2.881 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(Br)nc2)c1C ZINC000319396138 602157205 /nfs/dbraw/zinc/15/72/05/602157205.db2.gz KXUOMDJDOJAHLY-UHFFFAOYSA-N -2 0 385.239 2.960 20 0 GFADRL COc1cc(OC)c(OC)cc1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000832033754 602203555 /nfs/dbraw/zinc/20/35/55/602203555.db2.gz CXVPURONURRIAN-RMKNXTFCSA-N -2 0 393.417 2.611 20 0 GFADRL COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1ccc2c(c1)CCN2C(=O)[O-] ZINC000739781304 602245581 /nfs/dbraw/zinc/24/55/81/602245581.db2.gz ZJPZKNIXPNAXFL-UHFFFAOYSA-N -2 0 390.417 2.623 20 0 GFADRL O=C([O-])NCCOc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000740667418 602447693 /nfs/dbraw/zinc/44/76/93/602447693.db2.gz HVIRPANMQYAUIE-UHFFFAOYSA-N -2 0 388.804 2.926 20 0 GFADRL CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccccc2NC(=O)[O-])s1 ZINC000738537801 602652749 /nfs/dbraw/zinc/65/27/49/602652749.db2.gz SXCPNWIZHICNAG-VIFPVBQESA-N -2 0 383.451 2.836 20 0 GFADRL O=C([O-])N[C@H](CCC(=O)[N-]S(=O)(=O)/C=C\c1ccccc1)c1ccccc1 ZINC000740541105 602670366 /nfs/dbraw/zinc/67/03/66/602670366.db2.gz WIUGANGJWBTHDP-LKBMAGLMSA-N -2 0 388.445 2.892 20 0 GFADRL O=C([O-])N1CCc2nc(NC(=O)c3ccc4[n-]c(=S)oc4c3)sc2C1 ZINC000740475844 603112741 /nfs/dbraw/zinc/11/27/41/603112741.db2.gz DLVMFOMMQGFANJ-UHFFFAOYSA-N -2 0 376.419 2.861 20 0 GFADRL Cc1ccc(S(=O)(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)cc1C(=O)[O-] ZINC000830420829 603401656 /nfs/dbraw/zinc/40/16/56/603401656.db2.gz DYVZIXTYRLUELI-NSHDSACASA-N -2 0 378.406 2.823 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2ccc([C@H](C)NC(=O)[O-])cc2)sc1C(=O)[O-] ZINC000830138417 603404152 /nfs/dbraw/zinc/40/41/52/603404152.db2.gz UDVKDMMWZQYTIH-VIFPVBQESA-N -3 0 384.435 2.884 20 0 GFADRL C[C@H]1CN(C(=O)c2cc(Br)cc(Cl)c2[O-])CC[C@@H]1NC(=O)[O-] ZINC000826033818 603545214 /nfs/dbraw/zinc/54/52/14/603545214.db2.gz BRFYOXSMGREPGU-CPCISQLKSA-N -2 0 391.649 2.926 20 0 GFADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N(C)CC[C@H](NC(=O)[O-])C(C)C)n1 ZINC000830068691 603553172 /nfs/dbraw/zinc/55/31/72/603553172.db2.gz OQQKCIKGHAFAOF-AWEZNQCLSA-N -2 0 392.431 2.780 20 0 GFADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)CCCN2C(=O)[O-] ZINC000830941955 603624984 /nfs/dbraw/zinc/62/49/84/603624984.db2.gz AAVKJGMNMAYGHZ-UHFFFAOYSA-N -3 0 380.378 2.518 20 0 GFADRL Cc1ccc(-n2[n-]c(C(=O)Nc3ccccc3CN(C)C(=O)[O-])cc2=O)cc1 ZINC000830164981 603704311 /nfs/dbraw/zinc/70/43/11/603704311.db2.gz HJRYQIJGHZMMNT-UHFFFAOYSA-N -2 0 380.404 2.836 20 0 GFADRL Cc1ccc(-n2[n-]c(C(=O)Nc3ccc4c(c3)CCN4C(=O)[O-])cc2=O)cc1 ZINC000830165278 603735522 /nfs/dbraw/zinc/73/55/22/603735522.db2.gz MKIHXEBSDDDOAZ-UHFFFAOYSA-N -2 0 378.388 2.767 20 0 GFADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CC[C@@H](NC(=O)[O-])[C@H](C)C3)n2)c1 ZINC000824469904 603839272 /nfs/dbraw/zinc/83/92/72/603839272.db2.gz HSHJWWKHLBCYNW-CZUORRHYSA-N -2 0 386.452 2.820 20 0 GFADRL O=C([O-])N1[C@@H]2CC[C@H]1CC(CC(=O)[N-]S(=O)(=O)c1ccc(Cl)s1)C2 ZINC000831308431 604150589 /nfs/dbraw/zinc/15/05/89/604150589.db2.gz RETDMSBFZOPBHV-PBINXNQUSA-N -2 0 392.886 2.518 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)[C@@H](NC(=O)[O-])c2ccccc2)c(C)c1 ZINC000830413883 604208796 /nfs/dbraw/zinc/20/87/96/604208796.db2.gz BYWDAUOQVMDXFR-RHSMWYFYSA-N -2 0 390.461 2.753 20 0 GFADRL COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)[N-]S(=O)(=O)C1CCCCC1 ZINC000829187436 604245388 /nfs/dbraw/zinc/24/53/88/604245388.db2.gz HULRYUFXFOWMTJ-UHFFFAOYSA-N -2 0 390.845 2.831 20 0 GFADRL C[C@@H](CC(=O)[N-]S(=O)(=O)/C=C\c1ccccc1)C1CCN(C(=O)[O-])CC1 ZINC000824679714 604383107 /nfs/dbraw/zinc/38/31/07/604383107.db2.gz MZPROOSGGSXMOY-UQTJOTSZSA-N -2 0 380.466 2.520 20 0 GFADRL Cn1cc(S(=O)(=O)[N-]c2cccc(CSCCC(=O)[O-])c2)nc1Cl ZINC000833055537 604398154 /nfs/dbraw/zinc/39/81/54/604398154.db2.gz RHEFDRRBIXCTHI-UHFFFAOYSA-N -2 0 389.886 2.582 20 0 GFADRL CCn1cc(S(=O)(=O)[N-]c2ccc(OCC(=O)[O-])c3ccccc23)nc1C ZINC000833683765 604510493 /nfs/dbraw/zinc/51/04/93/604510493.db2.gz WRDFUZBGCOMEPQ-UHFFFAOYSA-N -2 0 389.433 2.629 20 0 GFADRL O=C([O-])CCc1csc([N-]S(=O)(=O)c2ccc(Br)s2)n1 ZINC000833244169 604623289 /nfs/dbraw/zinc/62/32/89/604623289.db2.gz VBVSJDGKIWSRJG-UHFFFAOYSA-N -2 0 397.297 2.785 20 0 GFADRL CC1=C(C(=O)[O-])[C@H](c2cc(F)c(F)cc2F)NC(=O)N1CCCCC(=O)[O-] ZINC000828134457 604668214 /nfs/dbraw/zinc/66/82/14/604668214.db2.gz HBAZDHGDWCRPFE-HNNXBMFYSA-N -2 0 386.326 2.784 20 0 GFADRL CCc1ccccc1-n1cc([O-])c(C(=O)Nc2nc(CCC(=O)[O-])cs2)n1 ZINC000830270150 604740844 /nfs/dbraw/zinc/74/08/44/604740844.db2.gz NQZVWUACJONBKY-UHFFFAOYSA-N -2 0 386.433 2.866 20 0 GFADRL Cc1cccc(S(=O)(=O)[N-]c2nc(CC(=O)[O-])cs2)c1Br ZINC000832972791 604776432 /nfs/dbraw/zinc/77/64/32/604776432.db2.gz NEPNYXXCZYUIID-UHFFFAOYSA-N -2 0 391.268 2.642 20 0 GFADRL COc1ccc(NC(=O)[O-])c([N-]S(=O)(=O)c2ccc3c(c2)N(C)CCC3)c1 ZINC000829474723 604828995 /nfs/dbraw/zinc/82/89/95/604828995.db2.gz MXTQWMGQHJAGRJ-UHFFFAOYSA-N -2 0 391.449 2.968 20 0 GFADRL O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000833768081 605024917 /nfs/dbraw/zinc/02/49/17/605024917.db2.gz ZAWMFXJLJDDDCA-INIZCTEOSA-N -2 0 385.807 2.861 20 0 GFADRL Cc1cc(F)c(S(=O)(=O)Nc2cc(C(=O)[O-])c(F)cc2F)cc1C(=O)[O-] ZINC000833744372 605168794 /nfs/dbraw/zinc/16/87/94/605168794.db2.gz CYTMEHMRANFTJD-UHFFFAOYSA-N -2 0 389.307 2.610 20 0 GFADRL Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(N(C)C(=O)[O-])cc2)cc1C(=O)[O-] ZINC000833744677 605169727 /nfs/dbraw/zinc/16/97/27/605169727.db2.gz MEPZXAYDXQGUJQ-UHFFFAOYSA-N -3 0 382.369 2.747 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2ccccc2O[C@@H]2CCOC2)c(C(=O)[O-])c1 ZINC000833751341 605189303 /nfs/dbraw/zinc/18/93/03/605189303.db2.gz UZYBJPOTNRVYTB-CYBMUJFWSA-N -2 0 377.418 2.662 20 0 GFADRL COc1ccc(O)c(S(=O)(=O)[N-]c2cccc(CSCCC(=O)[O-])c2)c1 ZINC000833733769 605240738 /nfs/dbraw/zinc/24/07/38/605240738.db2.gz PIRMCRUYGDHXFS-UHFFFAOYSA-N -2 0 397.474 2.910 20 0 GFADRL Cc1cccc(S(=O)(=O)N(C)c2cccc(CCC(=O)[O-])c2)c1C(=O)[O-] ZINC000833753591 605331310 /nfs/dbraw/zinc/33/13/10/605331310.db2.gz SKMNFVGIGVYAIX-UHFFFAOYSA-N -2 0 377.418 2.536 20 0 GFADRL COc1ccc(S(=O)(=O)Nc2ccc([C@H](C)CC(=O)[O-])cc2)cc1C(=O)[O-] ZINC000544096371 605332333 /nfs/dbraw/zinc/33/23/33/605332333.db2.gz GECYGBRECGAIEG-LLVKDONJSA-N -2 0 393.417 2.772 20 0 GFADRL O=C([O-])CN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1 ZINC000834065425 606048535 /nfs/dbraw/zinc/04/85/35/606048535.db2.gz MCDZPWRGVLZROH-YPMHNXCESA-N -2 0 388.342 2.555 20 0 GFADRL O=C([O-])N[C@H](CC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)cc1)c1ccccc1 ZINC000834121838 606066955 /nfs/dbraw/zinc/06/69/55/606066955.db2.gz IXQPUWKSDBKRJX-ZBFHGGJFSA-N -2 0 376.796 2.981 20 0 GFADRL COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)c1 ZINC000026536725 654557485 /nfs/dbraw/zinc/55/74/85/654557485.db2.gz SMRCCHKTIJEAKV-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)c(C(=O)[O-])c1 ZINC000047318058 654693060 /nfs/dbraw/zinc/69/30/60/654693060.db2.gz XPBRILXURZBXNF-UHFFFAOYSA-N -2 0 386.769 2.756 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3n[nH]cc32)ccc1Br ZINC000048382952 654705833 /nfs/dbraw/zinc/70/58/33/654705833.db2.gz IAMFVCDDPPMUCD-UHFFFAOYSA-N -2 0 396.222 2.824 20 0 GFADRL NC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000063182807 654849945 /nfs/dbraw/zinc/84/99/45/654849945.db2.gz HANIAKPLBLCZTO-UHFFFAOYSA-N -2 0 389.216 2.591 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2ccc(CCCC(=O)[O-])cc2)sc1C(=O)[O-] ZINC000270392290 655043110 /nfs/dbraw/zinc/04/31/10/655043110.db2.gz CFZMCSXBJIAECF-UHFFFAOYSA-N -3 0 383.447 2.963 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2cc(C)c(Br)s2)c(C(=O)[O-])[nH]1 ZINC000163446764 655135641 /nfs/dbraw/zinc/13/56/41/655135641.db2.gz PVRYZKSZMRDKSA-UHFFFAOYSA-N -2 0 379.257 2.955 20 0 GFADRL COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000109765583 655151844 /nfs/dbraw/zinc/15/18/44/655151844.db2.gz NZUPSQMSLYBVNH-UHFFFAOYSA-N -2 0 385.825 2.921 20 0 GFADRL COC(=O)CCc1ccc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc1 ZINC000264396624 655462587 /nfs/dbraw/zinc/46/25/87/655462587.db2.gz UXMDGJLYZPHNEE-UHFFFAOYSA-N -2 0 383.447 2.661 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)c(C)c2)sc1C(=O)[O-] ZINC000265953417 655493830 /nfs/dbraw/zinc/49/38/30/655493830.db2.gz WDHRPRWAIRPMDM-UHFFFAOYSA-N -2 0 382.463 2.566 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)cc1Cl ZINC000743261300 655727438 /nfs/dbraw/zinc/72/74/38/655727438.db2.gz DIPRIARNVNGFEI-UHFFFAOYSA-N -2 0 391.735 2.815 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc([S@](C)=O)c2)c1Cl ZINC000753777863 655858501 /nfs/dbraw/zinc/85/85/01/655858501.db2.gz AEKWQQMPHQZOCD-QHCPKHFHSA-N -2 0 387.866 2.885 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2cccc3c2OCCO3)cc(C(=O)[O-])c1Cl ZINC000759091550 655947150 /nfs/dbraw/zinc/94/71/50/655947150.db2.gz VOJBZBJBDLZZIN-UHFFFAOYSA-N -2 0 383.809 2.919 20 0 GFADRL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000761950598 656026391 /nfs/dbraw/zinc/02/63/91/656026391.db2.gz HAENMLZZLTVUOP-UHFFFAOYSA-N -2 0 392.767 2.911 20 0 GFADRL COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1cc(C)c(F)c(C(=O)[O-])c1 ZINC000763289468 656078505 /nfs/dbraw/zinc/07/85/05/656078505.db2.gz CABLLABWJSNUAD-UHFFFAOYSA-N -2 0 375.324 2.920 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3oc(=O)ccc3c2)c(Cl)c1 ZINC000768497986 656240246 /nfs/dbraw/zinc/24/02/46/656240246.db2.gz DSIIKFJCKQZGFF-UHFFFAOYSA-N -2 0 379.777 2.945 20 0 GFADRL CCC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)[O-] ZINC000776583293 656762983 /nfs/dbraw/zinc/76/29/83/656762983.db2.gz FOIKIQHXGSWKDQ-NKWVEPMBSA-N -2 0 389.342 2.940 20 0 GFADRL CNC(=O)Oc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000793464976 658398851 /nfs/dbraw/zinc/39/88/51/658398851.db2.gz WJHBAPCKDDMSKL-UHFFFAOYSA-N -2 0 384.797 2.557 20 0 GFADRL O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1ccc(F)c(Cl)c1 ZINC000852733737 661872707 /nfs/dbraw/zinc/87/27/07/661872707.db2.gz XRXNJZGSPAHKJL-RYUDHWBXSA-N -2 0 382.741 2.575 20 0 GFADRL O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1ccc(F)cc1Cl ZINC000852735795 661872953 /nfs/dbraw/zinc/87/29/53/661872953.db2.gz JPLVAHOPQFQUMO-NEPJUHHUSA-N -2 0 382.741 2.575 20 0 GFADRL CC(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000863955543 662351080 /nfs/dbraw/zinc/35/10/80/662351080.db2.gz PFFBKDODIVKRBZ-VIFPVBQESA-N -2 0 387.763 2.521 20 0 GFADRL CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(=O)C(CC)(CC)C(=O)[O-])c1 ZINC000863961341 662351200 /nfs/dbraw/zinc/35/12/00/662351200.db2.gz MFVFCVFJRGLQBD-UHFFFAOYSA-N -2 0 389.857 2.629 20 0 GFADRL Cc1ccc(Cl)c(S(=O)(=O)[N-]C(=O)[C@]2(C(=O)[O-])CC2(C)C)c1Cl ZINC000863960741 662351238 /nfs/dbraw/zinc/35/12/38/662351238.db2.gz BDLDPIHIFJSIAQ-AWEZNQCLSA-N -2 0 380.249 2.608 20 0 GFADRL O=C([O-])CC1CC([N-]S(=O)(=O)c2oc3ccccc3c2Br)C1 ZINC000899930890 663702914 /nfs/dbraw/zinc/70/29/14/663702914.db2.gz GUVKOHMZVGMWDC-UHFFFAOYSA-N -2 0 388.239 2.727 20 0 GFADRL O=C([O-])CC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cccnc1C(F)(F)F ZINC000297232072 563320181 /nfs/dbraw/zinc/32/01/81/563320181.db2.gz PATGKPQDKPBYKN-MNOVXSKESA-N -2 0 380.388 2.802 20 0 GFADRL CC(C)(CC[N-]S(=O)(=O)c1cc(F)c(Br)cc1F)C(=O)[O-] ZINC000424389312 563378242 /nfs/dbraw/zinc/37/82/42/563378242.db2.gz HRQQPKIOMPGUNR-UHFFFAOYSA-N -2 0 386.214 2.507 20 0 GFADRL COc1ccc(Cl)c(S(=O)(=O)NCC[C@H](CC(=O)[O-])C(F)(F)F)c1 ZINC000285161764 563506389 /nfs/dbraw/zinc/50/63/89/563506389.db2.gz PJENFOOKDZFHHO-MRVPVSSYSA-N -2 0 389.779 2.670 20 0 GFADRL O=C([O-])CCC(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2O)cc1 ZINC000433517042 563615198 /nfs/dbraw/zinc/61/51/98/563615198.db2.gz ABDHAAFGKZZAGQ-UHFFFAOYSA-N -2 0 383.809 2.894 20 0 GFADRL COc1ccc(C(=O)[O-])c(NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000438788047 563710137 /nfs/dbraw/zinc/71/01/37/563710137.db2.gz UPFNOVRFJKSYNG-UHFFFAOYSA-N -2 0 385.781 2.546 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)nn1CC(F)(F)F ZINC000416954956 563864247 /nfs/dbraw/zinc/86/42/47/563864247.db2.gz LVKISAAZZBPOAM-UHFFFAOYSA-N -2 0 377.344 2.561 20 0 GFADRL Cc1cccc(O)c1[N-]S(=O)(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC000539599731 564223382 /nfs/dbraw/zinc/22/33/82/564223382.db2.gz ZGYCEVCAVIFMDY-UHFFFAOYSA-N -2 0 386.223 2.962 20 0 GFADRL C[C@@H](Sc1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1)C(=O)[O-] ZINC000507608797 564234659 /nfs/dbraw/zinc/23/46/59/564234659.db2.gz XTVLZSYCBZKFJF-MRVPVSSYSA-N -3 0 387.460 2.812 20 0 GFADRL COc1ccc(Br)c(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])c1 ZINC000542738799 564324070 /nfs/dbraw/zinc/32/40/70/564324070.db2.gz NNDXEEMIYQZLSD-UHFFFAOYSA-N -2 0 386.223 2.957 20 0 GFADRL Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000543661791 564358415 /nfs/dbraw/zinc/35/84/15/564358415.db2.gz GFIGVOYTGPMHTQ-UHFFFAOYSA-N -2 0 395.771 2.573 20 0 GFADRL COC(=O)c1csc(S(=O)(=O)[N-]c2ccc([C@@H](C)CC(=O)[O-])cc2)c1 ZINC000544096552 564374000 /nfs/dbraw/zinc/37/40/00/564374000.db2.gz LLEXRVXKCLNIAS-JTQLQIEISA-N -2 0 383.447 2.914 20 0 GFADRL COC(=O)c1scc(C)c1S(=O)(=O)[N-]c1cc(C)c(C)cc1C(=O)[O-] ZINC000478709556 564413037 /nfs/dbraw/zinc/41/30/37/564413037.db2.gz LIKUQNQPRHAMIH-UHFFFAOYSA-N -2 0 383.447 2.959 20 0 GFADRL COc1cc(S(=O)(=O)[N-]c2cn(C)nc2C(C)C)c(Cl)cc1C(=O)[O-] ZINC000479273721 564434645 /nfs/dbraw/zinc/43/46/45/564434645.db2.gz FUMGTYDITJYFAJ-UHFFFAOYSA-N -2 0 387.845 2.705 20 0 GFADRL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000479359358 564437282 /nfs/dbraw/zinc/43/72/82/564437282.db2.gz CBYXLOHFBPAUJT-UHFFFAOYSA-N -2 0 387.772 2.985 20 0 GFADRL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2O)cc1Cl ZINC000513815738 564440461 /nfs/dbraw/zinc/44/04/61/564440461.db2.gz ACDANBJXJGPZQM-UHFFFAOYSA-N -2 0 392.216 2.963 20 0 GFADRL O=C([O-])c1cc([N-]S(=O)(=O)c2cc(Cl)ccc2F)cc2c1OCCO2 ZINC000568977737 564443479 /nfs/dbraw/zinc/44/34/79/564443479.db2.gz QASSZUXTMJKNDZ-UHFFFAOYSA-N -2 0 387.772 2.749 20 0 GFADRL COCCOc1ccccc1S(=O)(=O)[N-]c1cccc(Cl)c1C(=O)[O-] ZINC000546534701 564457812 /nfs/dbraw/zinc/45/78/12/564457812.db2.gz DDSJXKAGGWBJCY-UHFFFAOYSA-N -2 0 385.825 2.864 20 0 GFADRL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1C(=O)[O-] ZINC000547559338 564494408 /nfs/dbraw/zinc/49/44/08/564494408.db2.gz VZGOATCTUVYNFB-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1C(=O)[O-] ZINC000547571019 564495921 /nfs/dbraw/zinc/49/59/21/564495921.db2.gz UOSDHNYXODBJQN-UHFFFAOYSA-N -2 0 381.753 2.619 20 0 GFADRL Cc1ccc(Br)c(C(=O)[O-])c1NS(=O)(=O)c1cccc(N)c1 ZINC000547890703 564516716 /nfs/dbraw/zinc/51/67/16/564516716.db2.gz YZZBKXALKWYKIN-UHFFFAOYSA-N -2 0 385.239 2.839 20 0 GFADRL Cc1cc(C)c(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(Br)cn2)c1 ZINC000548208543 564536937 /nfs/dbraw/zinc/53/69/37/564536937.db2.gz XAQDMXWTLASHSN-UHFFFAOYSA-N -2 0 385.239 2.960 20 0 GFADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@@H](Cc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000548241580 564541505 /nfs/dbraw/zinc/54/15/05/564541505.db2.gz DQPUASSRKVOHTA-LDWIPMOCSA-N -2 0 394.198 2.859 20 0 GFADRL O=C([O-])[C@H](Cc1ccco1)NS(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000548591453 564565094 /nfs/dbraw/zinc/56/50/94/564565094.db2.gz FGVNEGSZZUQHMQ-NSHDSACASA-N -2 0 397.758 2.926 20 0 GFADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@H](C(=O)[O-])c1c(Cl)cccc1Cl ZINC000548592242 564565872 /nfs/dbraw/zinc/56/58/72/564565872.db2.gz AWIFGEOXZHIQIX-CDUCUWFYSA-N -2 0 380.171 2.989 20 0 GFADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])cc1Cl ZINC000484498957 564589256 /nfs/dbraw/zinc/58/92/56/564589256.db2.gz FXGIUPLOUWPFDR-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL CCOC[C@@H](C)CS(=O)(=O)[N-][C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000572998764 564618824 /nfs/dbraw/zinc/61/88/24/564618824.db2.gz QABMGIYDCFICGF-MFKMUULPSA-N -2 0 383.388 2.580 20 0 GFADRL O=C([O-])C(=O)Nc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000573412371 564636386 /nfs/dbraw/zinc/63/63/86/564636386.db2.gz IBULVIQWRPCJSI-UHFFFAOYSA-N -2 0 389.216 2.817 20 0 GFADRL Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1cc(Br)c(C)c(C(=O)[O-])c1 ZINC000551113990 564638054 /nfs/dbraw/zinc/63/80/54/564638054.db2.gz IDAMRYILYQTRJM-UHFFFAOYSA-N -2 0 388.243 2.596 20 0 GFADRL O=C([O-])CCC[C@@H](NS(=O)(=O)c1csc2ccc(Cl)cc21)C(=O)[O-] ZINC000581980861 564825676 /nfs/dbraw/zinc/82/56/76/564825676.db2.gz FFGUWUKBAUUHLG-SNVBAGLBSA-N -2 0 391.854 2.541 20 0 GFADRL COc1cc(C)c(Br)cc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000462371292 564836133 /nfs/dbraw/zinc/83/61/33/564836133.db2.gz UHRPUILZVMWZFH-UHFFFAOYSA-N -2 0 389.227 2.593 20 0 GFADRL CCOC[C@@H](C)CS(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC(F)(F)F ZINC000582549949 564852135 /nfs/dbraw/zinc/85/21/35/564852135.db2.gz LASPOAXKINTSEY-SECBINFHSA-N -2 0 385.360 2.698 20 0 GFADRL COc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000500325785 564950429 /nfs/dbraw/zinc/95/04/29/564950429.db2.gz PCNJOZBAXFSXIH-UHFFFAOYSA-N -2 0 389.788 2.752 20 0 GFADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2cc(F)ccc2Cl)c1OC ZINC000467300324 564959864 /nfs/dbraw/zinc/95/98/64/564959864.db2.gz CJIXDGDGVXPGDF-UHFFFAOYSA-N -2 0 389.788 2.995 20 0 GFADRL CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1SC ZINC000677997365 565992371 /nfs/dbraw/zinc/99/23/71/565992371.db2.gz YZSKNXHBECJGEE-UHFFFAOYSA-N -2 0 383.495 2.766 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2CC(=O)[O-])c1Cl ZINC000820963577 597386044 /nfs/dbraw/zinc/38/60/44/597386044.db2.gz DBGDPCSQYQUUGT-UHFFFAOYSA-N -3 0 383.809 2.775 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2N2CCOC2=O)c(Cl)c1 ZINC000740187800 599816668 /nfs/dbraw/zinc/81/66/68/599816668.db2.gz WLIHWDORIBOBOB-UHFFFAOYSA-N -2 0 396.808 2.796 20 0 GFADRL O=C([O-])CCc1ccc([N-]S(=O)(=O)c2cc3c(cc2Cl)OCCO3)cc1 ZINC000739766960 599854211 /nfs/dbraw/zinc/85/42/11/599854211.db2.gz PGBCQCNMAUFAHO-UHFFFAOYSA-N -2 0 397.836 2.929 20 0 GFADRL O=C([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(Br)cn1 ZINC000740136183 599883794 /nfs/dbraw/zinc/88/37/94/599883794.db2.gz RCQBISWZIDTDJH-UHFFFAOYSA-N -2 0 391.630 2.997 20 0 GFADRL O=C([O-])CSCc1cccc([N-]S(=O)(=O)c2cccc3c2OCCO3)c1 ZINC000739873492 599926786 /nfs/dbraw/zinc/92/67/86/599926786.db2.gz CFPMWZGUURNRQH-UHFFFAOYSA-N -2 0 395.458 2.576 20 0 GFADRL CCC1=C(C(=O)[O-])[C@H](c2cccc(O[C@@H](C)C(=O)[O-])c2)NC(=O)N1CC1CC1 ZINC000736932640 599988189 /nfs/dbraw/zinc/98/81/89/599988189.db2.gz ULFVPYIPHIRJDE-GTNSWQLSSA-N -2 0 388.420 2.764 20 0 GFADRL CC1=C(C(=O)[O-])[C@@H](c2cc(F)c(F)c(F)c2)NC(=O)N1CCCCC(=O)[O-] ZINC000736747018 599988471 /nfs/dbraw/zinc/98/84/71/599988471.db2.gz QRDPMJWUVPYPLC-OAHLLOKOSA-N -2 0 386.326 2.784 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccnn2Cc2ccccc2F)s1 ZINC000740187037 599998569 /nfs/dbraw/zinc/99/85/69/599998569.db2.gz CTAJIESXHXLOHA-UHFFFAOYSA-N -2 0 381.410 2.631 20 0 GFADRL CC(C)(C)SCC(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000736287323 600043896 /nfs/dbraw/zinc/04/38/96/600043896.db2.gz NWKBRFRERGPQRP-UHFFFAOYSA-N -2 0 399.412 2.740 20 0 GFADRL O=C([O-])c1cc(C(F)(F)F)cc(S(=O)(=O)[N-]C(=O)C2CCCCC2)c1 ZINC000740074547 600045055 /nfs/dbraw/zinc/04/50/55/600045055.db2.gz PYYNCGALRGTOMR-UHFFFAOYSA-N -2 0 379.356 2.789 20 0 GFADRL Cc1noc(C)c1S(=O)(=O)[N-]c1ncc(Cc2cccc(C(=O)[O-])c2)s1 ZINC000738947421 600056249 /nfs/dbraw/zinc/05/62/49/600056249.db2.gz IDIZNAPSVWHCKJ-UHFFFAOYSA-N -2 0 393.446 2.838 20 0 GFADRL CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)[O-])c2)c(F)c1 ZINC000736166097 600100336 /nfs/dbraw/zinc/10/03/36/600100336.db2.gz VHNZSRIUBZYEJB-UHFFFAOYSA-N -2 0 385.348 2.814 20 0 GFADRL CC(C)(C)[S@](=O)Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1 ZINC000736287290 600210966 /nfs/dbraw/zinc/21/09/66/600210966.db2.gz MJMRLZWHZTZJMH-XMMPIXPASA-N -2 0 385.463 2.826 20 0 GFADRL CCCNC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cc1 ZINC000737028340 600233186 /nfs/dbraw/zinc/23/31/86/600233186.db2.gz FYPDRWFXANMOHW-UHFFFAOYSA-N -2 0 398.387 2.604 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(Br)n2)c(F)cc1F ZINC000740089762 600247184 /nfs/dbraw/zinc/24/71/84/600247184.db2.gz KSJKWHSKRORSOW-UHFFFAOYSA-N -2 0 393.165 2.621 20 0 GFADRL CC(C)OC(=O)NCc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC000736484326 600254499 /nfs/dbraw/zinc/25/44/99/600254499.db2.gz AIPUMYIYCLAXNU-UHFFFAOYSA-N -2 0 398.462 2.882 20 0 GFADRL O=C([O-])NCc1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)cc1 ZINC000740000098 600303540 /nfs/dbraw/zinc/30/35/40/600303540.db2.gz DOOWUHPBRMDUNK-UHFFFAOYSA-N -2 0 376.221 2.957 20 0 GFADRL C[C@H](CSc1ccccc1)C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000736618803 600421494 /nfs/dbraw/zinc/42/14/94/600421494.db2.gz UKLLTRSMRYUROG-GFCCVEGCSA-N -2 0 379.459 2.618 20 0 GFADRL CC(C)(Oc1cccc(Cl)c1)C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000736344000 600549697 /nfs/dbraw/zinc/54/96/97/600549697.db2.gz OCVLRFBLCJUYTJ-UHFFFAOYSA-N -2 0 397.836 2.701 20 0 GFADRL CC(C)N(CCC(=O)[O-])C(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000262487124 600596312 /nfs/dbraw/zinc/59/63/12/600596312.db2.gz WUEWCHUUVHBBGV-UHFFFAOYSA-N -2 0 396.490 2.874 20 0 GFADRL O=C([O-])CCCc1nnc(NC(=O)c2cccc(Br)c2[O-])s1 ZINC000739711629 600602937 /nfs/dbraw/zinc/60/29/37/600602937.db2.gz LUFJJMAIADDFNI-UHFFFAOYSA-N -2 0 386.227 2.666 20 0 GFADRL Cc1ccc(Cn2nccc2[N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cc1 ZINC000738603682 600629724 /nfs/dbraw/zinc/62/97/24/600629724.db2.gz OJNVBABUTACSCC-UHFFFAOYSA-N -2 0 385.445 2.668 20 0 GFADRL O=C([O-])CCc1ccc(S(=O)(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cc1 ZINC000739767530 600636608 /nfs/dbraw/zinc/63/66/08/600636608.db2.gz UCLFMOYVWVYTIP-UHFFFAOYSA-N -2 0 383.809 2.856 20 0 GFADRL COc1ccccc1-n1cc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)cn1 ZINC000484532834 600673139 /nfs/dbraw/zinc/67/31/39/600673139.db2.gz XAPUTDQUVOBHIT-UHFFFAOYSA-N -2 0 391.380 2.519 20 0 GFADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2ccc(OCC3CCCCC3)cc2)cn1 ZINC000833275081 600678884 /nfs/dbraw/zinc/67/88/84/600678884.db2.gz RVQPEBKUBXWQMI-UHFFFAOYSA-N -2 0 393.465 2.728 20 0 GFADRL Cn1cc(S(=O)(=O)[N-]c2ccccc2OCc2cscn2)cc1C(=O)[O-] ZINC000588622199 600814746 /nfs/dbraw/zinc/81/47/46/600814746.db2.gz DQXRZBNTWBPGHK-UHFFFAOYSA-N -2 0 393.446 2.560 20 0 GFADRL Cn1cc(S(=O)(=O)[N-]c2nc3ccccc3n2-c2ccccc2)cc1C(=O)[O-] ZINC000833055686 600828299 /nfs/dbraw/zinc/82/82/99/600828299.db2.gz MCMJPGAIIRTYAU-UHFFFAOYSA-N -2 0 396.428 2.863 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2nc(CN3CCCCC3)cs2)cc1C(=O)[O-] ZINC000832956512 600828537 /nfs/dbraw/zinc/82/85/37/600828537.db2.gz JPMGLEMXUSDYSJ-UHFFFAOYSA-N -2 0 395.506 2.936 20 0 GFADRL Cc1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1N1CCOC1=O ZINC000746055415 600867896 /nfs/dbraw/zinc/86/78/96/600867896.db2.gz KBBFGRGGCARNND-UHFFFAOYSA-N -2 0 382.419 2.512 20 0 GFADRL CCn1nc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2OC(F)F)c1C ZINC000737312938 600893335 /nfs/dbraw/zinc/89/33/35/600893335.db2.gz WHCJHLVXSUMVRI-UHFFFAOYSA-N -2 0 389.380 2.620 20 0 GFADRL COC(=O)C(C)(C)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC000737560413 600900719 /nfs/dbraw/zinc/90/07/19/600900719.db2.gz BAGPNNXGOSYSGY-UHFFFAOYSA-N -2 0 383.447 2.698 20 0 GFADRL CCC(CC)(NC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1)C(=O)[O-] ZINC000675089439 600928652 /nfs/dbraw/zinc/92/86/52/600928652.db2.gz SXOPFNFUSXYRAJ-UHFFFAOYSA-N -2 0 396.490 2.922 20 0 GFADRL Cc1ccc(-c2ocnc2C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])cc1 ZINC000832910220 600938382 /nfs/dbraw/zinc/93/83/82/600938382.db2.gz UVWVGBDGPIWGSN-UHFFFAOYSA-N -2 0 392.414 2.528 20 0 GFADRL CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000829009826 600941151 /nfs/dbraw/zinc/94/11/51/600941151.db2.gz RYLRHBMOQZEMOA-WOPDTQHZSA-N -2 0 389.495 2.625 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)[O-])cs2)cc1Br ZINC000832956503 600975418 /nfs/dbraw/zinc/97/54/18/600975418.db2.gz IKQRSZQQHMMYSQ-UHFFFAOYSA-N -2 0 391.268 2.642 20 0 GFADRL CC[C@@H](C)Oc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC000828765170 601142015 /nfs/dbraw/zinc/14/20/15/601142015.db2.gz YPBZORUOADKRMJ-SNVBAGLBSA-N -2 0 383.447 2.742 20 0 GFADRL Cc1ccc(OCCCC(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cc1C ZINC000832952697 601192748 /nfs/dbraw/zinc/19/27/48/601192748.db2.gz ZYULFNFDWGRODG-UHFFFAOYSA-N -2 0 397.474 2.727 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cccc(OC(F)F)c1 ZINC000831946313 601203161 /nfs/dbraw/zinc/20/31/61/601203161.db2.gz SWNCSOXXDMDULP-UHFFFAOYSA-N -2 0 379.362 2.857 20 0 GFADRL COc1cc(OC)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)cc1Cl ZINC000832030013 601231111 /nfs/dbraw/zinc/23/11/11/601231111.db2.gz ABIPBIZQBIZMOL-UHFFFAOYSA-N -2 0 375.786 2.758 20 0 GFADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)c(OC)cc1Cl ZINC000832027405 601231154 /nfs/dbraw/zinc/23/11/54/601231154.db2.gz ZTWMMYMESDECPB-UHFFFAOYSA-N -2 0 375.786 2.758 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2ccc(F)c(Br)c2)cc1C(=O)[O-] ZINC000833029619 601234355 /nfs/dbraw/zinc/23/43/55/601234355.db2.gz JBLQGUBSMOMHBL-UHFFFAOYSA-N -2 0 378.175 2.989 20 0 GFADRL O=C([O-])[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)C1 ZINC000833185097 601239595 /nfs/dbraw/zinc/23/95/95/601239595.db2.gz VJCPQBZWNGJDOM-IUCAKERBSA-N -2 0 397.346 2.540 20 0 GFADRL O=C([O-])CCC(=O)c1ccc(S(=O)(=O)Nc2cccc(NC(=O)[O-])c2)cc1 ZINC000833222895 601250315 /nfs/dbraw/zinc/25/03/15/601250315.db2.gz GJFJEHJYGGZNLO-UHFFFAOYSA-N -2 0 392.389 2.625 20 0 GFADRL CCn1cnnc1-c1ccccc1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000830435944 601323432 /nfs/dbraw/zinc/32/34/32/601323432.db2.gz TYZNCVZNQJBURX-FMIVXFBMSA-N -2 0 398.444 2.864 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(OCCCC#N)c1 ZINC000048382701 601323929 /nfs/dbraw/zinc/32/39/29/601323929.db2.gz KGZKUISRHBXXJI-UHFFFAOYSA-N -2 0 390.417 2.877 20 0 GFADRL Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)[O-])c(Cl)c2)cc1C(=O)[O-] ZINC000438721857 601333412 /nfs/dbraw/zinc/33/34/12/601333412.db2.gz GNHZOFOTPJOJED-UHFFFAOYSA-N -2 0 399.808 2.611 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccn3)c(F)c2)o1 ZINC000833323583 601335748 /nfs/dbraw/zinc/33/57/48/601335748.db2.gz OXQMDIUILTVKSO-UHFFFAOYSA-N -2 0 392.364 2.892 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)n(-c2ccccc2)n1 ZINC000832899471 601358791 /nfs/dbraw/zinc/35/87/91/601358791.db2.gz LVEOJGZKYMHASY-UHFFFAOYSA-N -2 0 375.381 2.819 20 0 GFADRL CC(C)Cn1cnc(S(=O)(=O)[N-]c2ccc(OCCCC(=O)[O-])cc2)c1 ZINC000826924506 601387465 /nfs/dbraw/zinc/38/74/65/601387465.db2.gz HSPZVHTYRGBGIE-UHFFFAOYSA-N -2 0 381.454 2.584 20 0 GFADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(-c2ccccc2F)c1 ZINC000531526913 601491891 /nfs/dbraw/zinc/49/18/91/601491891.db2.gz AQAAGNIHGIJOFQ-UHFFFAOYSA-N -2 0 375.381 2.819 20 0 GFADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cnn(-c2ccccc2F)c1 ZINC000477429443 601491914 /nfs/dbraw/zinc/49/19/14/601491914.db2.gz WKGVLVXJZDQQGF-UHFFFAOYSA-N -2 0 375.381 2.819 20 0 GFADRL CCCCc1nnc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)s1 ZINC000829440387 601502345 /nfs/dbraw/zinc/50/23/45/601502345.db2.gz JVAJYZDBFKIZDT-UHFFFAOYSA-N -2 0 377.394 2.658 20 0 GFADRL CC(C)(C)c1nnc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)s1 ZINC000826528112 601502739 /nfs/dbraw/zinc/50/27/39/601502739.db2.gz JFFXOMUUUNQBKP-UHFFFAOYSA-N -2 0 375.859 2.988 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2nnc(Cc3cccc(Cl)c3)s2)c[nH]1 ZINC000833306060 601504055 /nfs/dbraw/zinc/50/40/55/601504055.db2.gz APFMWSDATFWXAF-UHFFFAOYSA-N -2 0 398.853 2.609 20 0 GFADRL O=C([O-])CCN(Cc1ccncc1)C(=O)c1cccc(Br)c1[O-] ZINC000833233841 601562526 /nfs/dbraw/zinc/56/25/26/601562526.db2.gz IJYLJAJQMVPDOF-UHFFFAOYSA-N -2 0 379.210 2.667 20 0 GFADRL COc1ccccc1-c1cc([N-]S(=O)(=O)c2ccc(C=CC(=O)[O-])cc2)n[nH]1 ZINC000832577305 601604697 /nfs/dbraw/zinc/60/46/97/601604697.db2.gz FOLPZJRVIXWVSQ-DHZHZOJOSA-N -2 0 399.428 2.984 20 0 GFADRL O=C([O-])CCOc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)[nH]n2)cc1 ZINC000833238920 601605892 /nfs/dbraw/zinc/60/58/92/601605892.db2.gz KGBQALQTSYATGX-UHFFFAOYSA-N -2 0 387.417 2.731 20 0 GFADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N[C@H](C(=O)[O-])c2ccccc2F)n1 ZINC000832890103 601741205 /nfs/dbraw/zinc/74/12/05/601741205.db2.gz OPZKEQIDCRHSEZ-INIZCTEOSA-N -2 0 387.342 2.720 20 0 GFADRL C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3nc(CCCC(=O)[O-])cs3)ccc2O1 ZINC000828516778 601772066 /nfs/dbraw/zinc/77/20/66/601772066.db2.gz QUSKLQLMEZXUAX-SNVBAGLBSA-N -2 0 382.463 2.675 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnn(Cc3ccccc3)c2)cc(F)c1F ZINC000751146328 601836598 /nfs/dbraw/zinc/83/65/98/601836598.db2.gz PJTNTGADAHTKRI-UHFFFAOYSA-N -2 0 393.371 2.709 20 0 GFADRL O=C([O-])c1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc(OC(F)F)c(F)c1 ZINC000833344534 601837186 /nfs/dbraw/zinc/83/71/86/601837186.db2.gz BSTGLLOTYLQQBJ-UHFFFAOYSA-N -2 0 396.730 2.975 20 0 GFADRL CC1(C)Cc2nc([N-]S(=O)(=O)c3cccc(F)c3C(=O)[O-])sc2C(=O)C1 ZINC000828056429 601847550 /nfs/dbraw/zinc/84/75/50/601847550.db2.gz ULLXONIBMMGABI-UHFFFAOYSA-N -2 0 398.437 2.936 20 0 GFADRL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccc(OCC(F)(F)F)nc1 ZINC000833294958 601858404 /nfs/dbraw/zinc/85/84/04/601858404.db2.gz OHXTWOWWSJULMD-UHFFFAOYSA-N -2 0 394.302 2.661 20 0 GFADRL Cc1cc(C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)c(Cl)cc1F ZINC000832864521 601973834 /nfs/dbraw/zinc/97/38/34/601973834.db2.gz LOTQGJLKPXJELU-UHFFFAOYSA-N -2 0 385.800 2.746 20 0 GFADRL CCOc1ccc(S(=O)(=O)[N-]c2nc3c(s2)CN(C(=O)[O-])CC3)c(C)c1 ZINC000739504227 601976283 /nfs/dbraw/zinc/97/62/83/601976283.db2.gz KBKSETHGMRBFMY-UHFFFAOYSA-N -2 0 397.478 2.687 20 0 GFADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2)c1 ZINC000831371107 601986185 /nfs/dbraw/zinc/98/61/85/601986185.db2.gz SMJNKPYVGHSLBG-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2cc(CC3CCCCC3)[nH]n2)cc1 ZINC000833267358 602103722 /nfs/dbraw/zinc/10/37/22/602103722.db2.gz YNGAFPBVYKCEGQ-UHFFFAOYSA-N -2 0 377.466 2.960 20 0 GFADRL O=C([O-])c1csc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCCC3)c1 ZINC000833343704 602116313 /nfs/dbraw/zinc/11/63/13/602116313.db2.gz MPNDRDVBNGWEOY-UHFFFAOYSA-N -3 0 381.431 2.824 20 0 GFADRL Cc1c(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)cnn1-c1ccccn1 ZINC000462065537 602195053 /nfs/dbraw/zinc/19/50/53/602195053.db2.gz AXJLHAQMCFROPS-UHFFFAOYSA-N -2 0 392.824 2.728 20 0 GFADRL COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1ccc(NC(=O)[O-])cc1 ZINC000739926006 602646063 /nfs/dbraw/zinc/64/60/63/602646063.db2.gz WSIACWDFIHGPAE-UHFFFAOYSA-N -2 0 379.394 2.544 20 0 GFADRL COc1ccc(NC(=O)[O-])c([N-]S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000739922672 602652279 /nfs/dbraw/zinc/65/22/79/602652279.db2.gz CLXYGYAFTOQJHM-UHFFFAOYSA-N -2 0 382.394 2.603 20 0 GFADRL CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccccc2NC(=O)[O-])s1 ZINC000738537799 602652728 /nfs/dbraw/zinc/65/27/28/602652728.db2.gz SXCPNWIZHICNAG-SECBINFHSA-N -2 0 383.451 2.836 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]C(=O)CC[C@@H](NC(=O)[O-])c2ccccc2)c(C)c1 ZINC000740145966 602670094 /nfs/dbraw/zinc/67/00/94/602670094.db2.gz FGAYBTHLASRBAH-MRXNPFEDSA-N -2 0 390.461 2.897 20 0 GFADRL O=C([O-])N[C@@H](CCC(=O)[N-]S(=O)(=O)/C=C\c1ccccc1)c1ccccc1 ZINC000740541106 602670471 /nfs/dbraw/zinc/67/04/71/602670471.db2.gz WIUGANGJWBTHDP-NJWFCXLTSA-N -2 0 388.445 2.892 20 0 GFADRL C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(NC(=O)[O-])nc3)cc(Cl)c2O1 ZINC000739191987 602780042 /nfs/dbraw/zinc/78/00/42/602780042.db2.gz TXCKYMHXJMPMHI-MRVPVSSYSA-N -2 0 383.813 2.949 20 0 GFADRL CC(C)(CCC(=O)[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1)NC(=O)[O-] ZINC000738739679 602927521 /nfs/dbraw/zinc/92/75/21/602927521.db2.gz DGUUKKKSQMXPQA-UHFFFAOYSA-N -2 0 390.461 2.985 20 0 GFADRL O=C([O-])Nc1ccc(C(=O)[N-]S(=O)(=O)CCc2ccccc2)c(Cl)c1 ZINC000740700331 602962293 /nfs/dbraw/zinc/96/22/93/602962293.db2.gz GRBSTFIJBUZKEI-UHFFFAOYSA-N -2 0 382.825 2.732 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2nc3c(s2)CN(C(=O)[O-])CC3)cc(C)c1F ZINC000830137472 603241427 /nfs/dbraw/zinc/24/14/27/603241427.db2.gz BPNWNGPDPVCCSI-UHFFFAOYSA-N -2 0 385.442 2.736 20 0 GFADRL Cc1noc2ncc(S(=O)(=O)[N-]c3ccc([C@H](C)NC(=O)[O-])cc3)cc12 ZINC000830930243 603401645 /nfs/dbraw/zinc/40/16/45/603401645.db2.gz PFDAHKCOLJKGNQ-VIFPVBQESA-N -2 0 376.394 2.661 20 0 GFADRL Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1ccc2c(c1)CN(C(=O)[O-])CC2 ZINC000740244661 603421265 /nfs/dbraw/zinc/42/12/65/603421265.db2.gz SUPPSTFXMHSWNY-UHFFFAOYSA-N -2 0 392.481 2.918 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3ccco3)s2)s1 ZINC000833325142 604409388 /nfs/dbraw/zinc/40/93/88/604409388.db2.gz SVAMZPMOIUQYSY-UHFFFAOYSA-N -2 0 383.428 2.887 20 0 GFADRL Cc1cc(Br)cnc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000318125104 604620590 /nfs/dbraw/zinc/62/05/90/604620590.db2.gz RTVBAAFGRTVLNI-UHFFFAOYSA-N -2 0 385.239 2.960 20 0 GFADRL CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2cc(C)c(C(=O)[O-])s2)c1C ZINC000829869589 604767577 /nfs/dbraw/zinc/76/75/77/604767577.db2.gz AYSRTTNKDYZVQZ-UHFFFAOYSA-N -2 0 386.451 2.677 20 0 GFADRL Cc1noc([N-]S(=O)(=O)c2ccc(Br)cc2C(=O)[O-])c1C ZINC000833022644 604773565 /nfs/dbraw/zinc/77/35/65/604773565.db2.gz XXTAPUBJRPCJIS-UHFFFAOYSA-N -2 0 375.200 2.553 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2ccc3oc(C)nc3c2)c(OC)c1C(=O)[O-] ZINC000833734660 604859687 /nfs/dbraw/zinc/85/96/87/604859687.db2.gz RPWSCHPULWEJCH-UHFFFAOYSA-N -2 0 392.389 2.652 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2n[nH]c3c2cccc3Cl)c(F)cc1F ZINC000833306414 605014618 /nfs/dbraw/zinc/01/46/18/605014618.db2.gz QZQLXVUVSQXTPM-UHFFFAOYSA-N -2 0 387.751 2.994 20 0 GFADRL COc1cc(OC)c([N-]S(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)cc1F ZINC000833729107 605124785 /nfs/dbraw/zinc/12/47/85/605124785.db2.gz QGAZNVZMUGBPBP-UHFFFAOYSA-N -2 0 395.408 2.760 20 0 GFADRL CC(=O)N(C)c1ccccc1[N-]S(=O)(=O)c1cccc2c1ccnc2C(=O)[O-] ZINC000833389307 605151400 /nfs/dbraw/zinc/15/14/00/605151400.db2.gz KCFMYGHLABNTRF-UHFFFAOYSA-N -2 0 399.428 2.717 20 0 GFADRL Cc1cnn(-c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2cccc(F)c2)c1 ZINC000833754602 605190736 /nfs/dbraw/zinc/19/07/36/605190736.db2.gz XOQVRQGXTNXTRZ-UHFFFAOYSA-N -2 0 375.381 2.819 20 0 GFADRL C[C@@]1([N-]S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)CCCC[C@H]1C(=O)[O-] ZINC000833570862 605246950 /nfs/dbraw/zinc/24/69/50/605246950.db2.gz UKOXJNZWYYNSTB-DXRPGJJCSA-N -2 0 387.326 2.694 20 0 GFADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(NC(=O)[O-])c(F)c1 ZINC000833670119 605264820 /nfs/dbraw/zinc/26/48/20/605264820.db2.gz KLJHEEFPTVTIQH-UHFFFAOYSA-N -2 0 382.369 2.977 20 0 GFADRL O=C([O-])N[C@H](C(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1)c1ccccc1 ZINC000834252041 606057705 /nfs/dbraw/zinc/05/77/05/606057705.db2.gz VOEJKYSZYPUITI-SFHVURJKSA-N -2 0 393.399 2.760 20 0 GFADRL O=C([O-])Nc1ccccc1CC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000834271542 606091571 /nfs/dbraw/zinc/09/15/71/606091571.db2.gz BVUIXTFXQSBHSU-UHFFFAOYSA-N -2 0 386.788 2.617 20 0 GFADRL COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC000013342691 654504726 /nfs/dbraw/zinc/50/47/26/654504726.db2.gz ZUNQDEMAXOKQMP-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL CN(C)C(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000042005395 654634192 /nfs/dbraw/zinc/63/41/92/654634192.db2.gz OEVNYEJEZMASFR-UHFFFAOYSA-N -2 0 382.825 2.541 20 0 GFADRL CCCc1ccc([N-]S(=O)(=O)c2ccsc2C(=O)OC)c(C(=O)[O-])c1 ZINC000055600809 654779519 /nfs/dbraw/zinc/77/95/19/654779519.db2.gz IAKAPZXEPQZNQD-UHFFFAOYSA-N -2 0 383.447 2.986 20 0 GFADRL C[C@@H](CCC[N-]S(=O)(=O)c1cc(F)c(Br)cc1F)C(=O)[O-] ZINC000275027536 655212193 /nfs/dbraw/zinc/21/21/93/655212193.db2.gz SWTWLYFFOGFJNP-ZETCQYMHSA-N -2 0 386.214 2.507 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cnc1Br ZINC000181175949 655333409 /nfs/dbraw/zinc/33/34/09/655333409.db2.gz KSPFYYZKTINAQY-UHFFFAOYSA-N -2 0 389.202 2.791 20 0 GFADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c(OC)cc1Cl ZINC000326658441 655385200 /nfs/dbraw/zinc/38/52/00/655385200.db2.gz DEGVCEDVNUDARM-UHFFFAOYSA-N -2 0 389.788 2.995 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2ccc(OCC(C)(C)O)cc2)sc1C(=O)[O-] ZINC000265487648 655484460 /nfs/dbraw/zinc/48/44/60/655484460.db2.gz GXSRNAUMSJXBRI-UHFFFAOYSA-N -2 0 385.463 2.705 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)c1Cl ZINC000753768999 655858175 /nfs/dbraw/zinc/85/81/75/655858175.db2.gz FGHXXFUQWXKBLS-UHFFFAOYSA-N -2 0 383.809 2.919 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)c1Cl ZINC000753771352 655858250 /nfs/dbraw/zinc/85/82/50/655858250.db2.gz OCICEWNMQGNYFO-UHFFFAOYSA-N -3 0 387.772 2.985 20 0 GFADRL Cc1cc(F)c(S(=O)(=O)[N-]c2cccc(C[S@@](C)=O)c2)cc1C(=O)[O-] ZINC000753781069 655858627 /nfs/dbraw/zinc/85/86/27/655858627.db2.gz TWIYXGSJCYUHQY-XMMPIXPASA-N -2 0 385.438 2.512 20 0 GFADRL Cc1sc(C(N)=O)cc1[N-]S(=O)(=O)c1cc(C)c(Cl)c(C(=O)[O-])c1 ZINC000759113693 655948050 /nfs/dbraw/zinc/94/80/50/655948050.db2.gz FTEAFPHDWFKSIW-UHFFFAOYSA-N -2 0 388.854 2.616 20 0 GFADRL O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3ccc(Br)nc3)c1)CCC2 ZINC000765140912 656133378 /nfs/dbraw/zinc/13/33/78/656133378.db2.gz HRPVHTWYHUFZMC-UHFFFAOYSA-N -2 0 397.250 2.832 20 0 GFADRL COc1ccc(O)c([N-]S(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)c1 ZINC000767735180 656217671 /nfs/dbraw/zinc/21/76/71/656217671.db2.gz QPQSWGDJOITLQX-UHFFFAOYSA-N -2 0 375.761 2.692 20 0 GFADRL C[C@H](CCC[C@H](C)[N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)[O-] ZINC000776575108 656761694 /nfs/dbraw/zinc/76/16/94/656761694.db2.gz YTGJVNSGYDPXQM-RQJHMYQMSA-N -2 0 389.342 2.940 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3c[nH]nc3c2)c(F)c(Cl)c1F ZINC000779829345 656946583 /nfs/dbraw/zinc/94/65/83/656946583.db2.gz GZTGZWUTKYFHCJ-UHFFFAOYSA-N -2 0 387.751 2.994 20 0 GFADRL O=C([O-])c1c(F)cc([N-]S(=O)(=O)c2cnccc2C(F)(F)F)cc1F ZINC000785489152 657369017 /nfs/dbraw/zinc/36/90/17/657369017.db2.gz RQOYWDDVTSCUNQ-UHFFFAOYSA-N -2 0 382.266 2.878 20 0 GFADRL COCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(OC)cc1Cl ZINC000790394926 657967961 /nfs/dbraw/zinc/96/79/61/657967961.db2.gz YDYJNHHCATZCTL-UHFFFAOYSA-N -2 0 385.825 2.994 20 0 GFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2cccc3c2CCO3)cc1C(=O)[O-] ZINC000794607868 658576942 /nfs/dbraw/zinc/57/69/42/658576942.db2.gz MNJXPGUTRUPRLU-UHFFFAOYSA-N -2 0 383.809 2.783 20 0 GFADRL CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1SC ZINC000844646803 661431183 /nfs/dbraw/zinc/43/11/83/661431183.db2.gz XSNBJBHDRDJDTC-ZDUSSCGKSA-N -2 0 375.468 2.580 20 0 GFADRL Cc1ccc(Cl)c(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)(C)C)c1Cl ZINC000863961846 662351548 /nfs/dbraw/zinc/35/15/48/662351548.db2.gz VCSISSGAVJULNN-SECBINFHSA-N -2 0 382.265 2.854 20 0 GFADRL C[C@@H](CC[N-]S(=O)(=O)c1oc2ccccc2c1Br)CC(=O)[O-] ZINC000864431224 662370718 /nfs/dbraw/zinc/37/07/18/662370718.db2.gz PAMKFDUZXMLKGC-VIFPVBQESA-N -2 0 390.255 2.975 20 0 GFADRL O=C([O-])CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1occc1Br ZINC000926487032 664690497 /nfs/dbraw/zinc/69/04/97/664690497.db2.gz RSKWLFPHXRXWGH-MWLCHTKSSA-N -2 0 380.260 2.744 20 0 GFADRL C[C@@H](CCC(=O)[O-])NC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000262162940 553167134 /nfs/dbraw/zinc/16/71/34/553167134.db2.gz PIEYSHYSKSGSHU-NSHDSACASA-N -2 0 382.463 2.532 20 0 GFADRL O=C([O-])[C@H]1CCCN1C(=O)c1cc(Br)c([O-])c(Br)c1 ZINC000263429046 553187610 /nfs/dbraw/zinc/18/76/10/553187610.db2.gz MWTSOLJDRNVLLY-SECBINFHSA-N -2 0 393.031 2.606 20 0 GFADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(-c3nc[nH]n3)c2)c1 ZINC000371716869 563285875 /nfs/dbraw/zinc/28/58/75/563285875.db2.gz ZWQCZPIHXWQLJG-UHFFFAOYSA-N -2 0 378.797 2.624 20 0 GFADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc3c2OCC[C@@H]3O)c1 ZINC000375646296 563412258 /nfs/dbraw/zinc/41/22/58/563412258.db2.gz CJUBYQPZSHPJGB-ZDUSSCGKSA-N -2 0 383.809 2.655 20 0 GFADRL C[C@@H](Sc1ccc([N-]S(=O)(=O)c2cnn(CC(F)F)c2)cc1)C(=O)[O-] ZINC000285133290 563504614 /nfs/dbraw/zinc/50/46/14/563504614.db2.gz NTNVFQOEFRRYBG-SECBINFHSA-N -2 0 391.421 2.514 20 0 GFADRL O=C([O-])C[C@@H](CC[N-]S(=O)(=O)c1c(Cl)ccnc1Cl)C(F)(F)F ZINC000285301257 563514040 /nfs/dbraw/zinc/51/40/40/563514040.db2.gz YEJXUWSMHRRISI-ZCFIWIBFSA-N -2 0 395.186 2.710 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CS3)c(Cl)c1 ZINC000393187384 563528625 /nfs/dbraw/zinc/52/86/25/563528625.db2.gz XZOFLTBKIFZOAT-UHFFFAOYSA-N -2 0 398.849 2.883 20 0 GFADRL COC(=O)[C@@H](C)c1ccc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc1 ZINC000414402704 563734211 /nfs/dbraw/zinc/73/42/11/563734211.db2.gz YPBPBWSBIVLHRY-JTQLQIEISA-N -2 0 383.447 2.832 20 0 GFADRL COc1cc(S(=O)(=O)[N-]c2c(OC)ccc(Cl)c2C(=O)[O-])ccc1F ZINC000471618867 564200482 /nfs/dbraw/zinc/20/04/82/564200482.db2.gz MDQVQLDTRZMJGZ-UHFFFAOYSA-N -2 0 389.788 2.995 20 0 GFADRL Cc1nc(S(=O)(=O)[N-]c2cc(-c3ccccc3)sc2C(=O)[O-])cn1C ZINC000539239594 564214850 /nfs/dbraw/zinc/21/48/50/564214850.db2.gz IHCKQTDJDFKRFI-UHFFFAOYSA-N -2 0 377.447 2.956 20 0 GFADRL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)c1C(N)=O ZINC000476399260 564337834 /nfs/dbraw/zinc/33/78/34/564337834.db2.gz TWQJGQYTAUEDNX-UHFFFAOYSA-N -2 0 382.825 2.555 20 0 GFADRL Cc1noc(C)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Br ZINC000476416557 564338910 /nfs/dbraw/zinc/33/89/10/564338910.db2.gz GOVDVEMREVRDBZ-UHFFFAOYSA-N -2 0 375.200 2.553 20 0 GFADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)nc2)c1 ZINC000476630275 564348505 /nfs/dbraw/zinc/34/85/05/564348505.db2.gz PHUWCUKPZMZLOI-UHFFFAOYSA-N -2 0 376.312 2.522 20 0 GFADRL CCOc1cc(Br)ccc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000477475543 564377375 /nfs/dbraw/zinc/37/73/75/564377375.db2.gz MFFDXQUABLHFQK-UHFFFAOYSA-N -2 0 389.227 2.675 20 0 GFADRL COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(F)c(C(=O)[O-])c1 ZINC000512776576 564410675 /nfs/dbraw/zinc/41/06/75/564410675.db2.gz PZDNMBTYAGSXNM-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL CC(C)n1cnc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(F)(F)F)c2)c1 ZINC000513817023 564440389 /nfs/dbraw/zinc/44/03/89/564440389.db2.gz ZHCYNDPTFIFATQ-UHFFFAOYSA-N -2 0 377.344 2.982 20 0 GFADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000479518300 564442603 /nfs/dbraw/zinc/44/26/03/564442603.db2.gz QMBQHOBKVXLQIB-UHFFFAOYSA-N -2 0 395.384 2.666 20 0 GFADRL CC(=O)NCc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])s1 ZINC000547541910 564492395 /nfs/dbraw/zinc/49/23/95/564492395.db2.gz LEKHCDWUCJAEEA-UHFFFAOYSA-N -2 0 388.854 2.537 20 0 GFADRL O=C([O-])c1c([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000547572237 564495713 /nfs/dbraw/zinc/49/57/13/564495713.db2.gz PTHKXQVHPOFCDR-UHFFFAOYSA-N -2 0 376.268 2.511 20 0 GFADRL COC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2Cl)s1 ZINC000547889974 564516695 /nfs/dbraw/zinc/51/66/95/564516695.db2.gz MAORWVIPTMQMRD-UHFFFAOYSA-N -2 0 375.811 2.687 20 0 GFADRL Cc1cc(CS(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC(F)(F)F)on1 ZINC000548268772 564546637 /nfs/dbraw/zinc/54/66/37/564546637.db2.gz WFRSFVGONGZZQT-UHFFFAOYSA-N -2 0 380.300 2.522 20 0 GFADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)c(F)c2)c1 ZINC000483115752 564558496 /nfs/dbraw/zinc/55/84/96/564558496.db2.gz HFIVMINVJJTZKV-UHFFFAOYSA-N -2 0 384.410 2.513 20 0 GFADRL O=C([O-])[C@H]1CCCCCC[C@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000548591791 564564657 /nfs/dbraw/zinc/56/46/57/564564657.db2.gz ONARZUDZZGRUDL-NWDGAFQWSA-N -2 0 380.388 2.802 20 0 GFADRL O=C([O-])c1ccc([N-]S(=O)(=O)C[C@@H]2CCCCO2)c(OC(F)(F)F)c1 ZINC000488269024 564707911 /nfs/dbraw/zinc/70/79/11/564707911.db2.gz ZEPYZQJSTKPXEA-JTQLQIEISA-N -2 0 383.344 2.594 20 0 GFADRL COC(=O)c1c(F)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)cc1F ZINC000554661525 564769165 /nfs/dbraw/zinc/76/91/65/564769165.db2.gz DRXGEVMBSGDFQY-UHFFFAOYSA-N -2 0 391.373 2.620 20 0 GFADRL COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(CC(=O)[O-])c1 ZINC000461872405 564806890 /nfs/dbraw/zinc/80/68/90/564806890.db2.gz TXNXSCUWIGALMB-UHFFFAOYSA-N -2 0 383.809 2.555 20 0 GFADRL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Br)c2)c(O)c1 ZINC000536117868 565029968 /nfs/dbraw/zinc/02/99/68/565029968.db2.gz ZOWXTCWWTHNGDN-UHFFFAOYSA-N -2 0 386.223 2.962 20 0 GFADRL CCn1cc(S(=O)(=O)[N-]c2ccc(F)cc2OC(F)F)cc1C(=O)[O-] ZINC000504267692 565037337 /nfs/dbraw/zinc/03/73/37/565037337.db2.gz NWCUFPADTMHSBN-UHFFFAOYSA-N -2 0 378.328 2.748 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)c(C(=O)[O-])c1 ZINC000504704317 565043620 /nfs/dbraw/zinc/04/36/20/565043620.db2.gz VNVBFRIGZSVZNQ-UHFFFAOYSA-N -2 0 376.312 2.608 20 0 GFADRL C[C@H](Sc1ccc([N-]S(=O)(=O)c2cc(Cl)cnc2N)cc1)C(=O)[O-] ZINC000504704530 565043682 /nfs/dbraw/zinc/04/36/82/565043682.db2.gz XMZMDLSCYZZSNB-QMMMGPOBSA-N -2 0 387.870 2.683 20 0 GFADRL COc1ccc(Cl)c(NS(=O)(=O)c2ccc(OC)c(CC(=O)[O-])c2)c1 ZINC000537037727 565052078 /nfs/dbraw/zinc/05/20/78/565052078.db2.gz XBVLSXCEBSNLCJ-UHFFFAOYSA-N -2 0 385.825 2.785 20 0 GFADRL CCN(C(=O)c1cc(Br)c([O-])c(Br)c1)[C@H](C)C(=O)[O-] ZINC000659776206 565223365 /nfs/dbraw/zinc/22/33/65/565223365.db2.gz PBCOKOKXCQNXJY-ZCFIWIBFSA-N -2 0 395.047 2.852 20 0 GFADRL CNC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000591681296 565236322 /nfs/dbraw/zinc/23/63/22/565236322.db2.gz HVWUGWRAYWISJX-UHFFFAOYSA-N -2 0 388.854 2.569 20 0 GFADRL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)NC[C@H](OC)C1CCCC1 ZINC000663429461 565420035 /nfs/dbraw/zinc/42/00/35/565420035.db2.gz CATBJLPRMKNADC-ZDUSSCGKSA-N -2 0 391.873 2.530 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2c(C)c(Br)ccc2C(=O)[O-])cn1 ZINC000671660210 565778087 /nfs/dbraw/zinc/77/80/87/565778087.db2.gz NNTVTNMMSOTOIA-UHFFFAOYSA-N -2 0 385.239 2.960 20 0 GFADRL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(C)c1C(F)F ZINC000677552470 565977465 /nfs/dbraw/zinc/97/74/65/565977465.db2.gz UMQJCOGOUDIXOZ-UHFFFAOYSA-N -2 0 379.772 2.819 20 0 GFADRL CCC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cc1 ZINC000736849006 600231523 /nfs/dbraw/zinc/23/15/23/600231523.db2.gz ZOESBGZIIDYMIT-UHFFFAOYSA-N -2 0 384.360 2.812 20 0 GFADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cc(F)ccc1OC[C@@H]1CCCO1 ZINC000740242263 599740500 /nfs/dbraw/zinc/74/05/00/599740500.db2.gz SJXRQMSANAUNLZ-ZDUSSCGKSA-N -2 0 395.408 2.883 20 0 GFADRL Cc1nc(CC(C)C)sc1C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000738851617 599793045 /nfs/dbraw/zinc/79/30/45/599793045.db2.gz OWUNFZBDVWDVGB-UHFFFAOYSA-N -2 0 388.492 2.528 20 0 GFADRL CCCOc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C(=O)OC ZINC000737034847 599813005 /nfs/dbraw/zinc/81/30/05/599813005.db2.gz RXAQZYQXHQBBGR-UHFFFAOYSA-N -2 0 399.446 2.823 20 0 GFADRL CCc1cccc(C)c1[N-]S(=O)(=O)c1cc(C(=O)OC)sc1C(=O)[O-] ZINC000737267369 599813097 /nfs/dbraw/zinc/81/30/97/599813097.db2.gz OXSLUIWCIGPQDN-UHFFFAOYSA-N -2 0 383.447 2.905 20 0 GFADRL CC(C)[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000736373646 599963789 /nfs/dbraw/zinc/96/37/89/599963789.db2.gz GFIZXKZBLXYZPV-INIZCTEOSA-N -2 0 382.482 2.831 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccnn2Cc2ccc(Cl)c(F)c2)o1 ZINC000740187033 599983377 /nfs/dbraw/zinc/98/33/77/599983377.db2.gz CPWJAHNIALCPTL-UHFFFAOYSA-N -2 0 399.787 2.816 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2c3c(nn2-c2ccccc2)CCC3)cc1 ZINC000738690894 600055188 /nfs/dbraw/zinc/05/51/88/600055188.db2.gz YZMOOGLLKJKMTE-UHFFFAOYSA-N -2 0 383.429 2.860 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])n(-c2ccccc2F)n1 ZINC000738463647 600055867 /nfs/dbraw/zinc/05/58/67/600055867.db2.gz OBXRQDRVENRFDS-UHFFFAOYSA-N -2 0 393.371 2.958 20 0 GFADRL COC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000737691076 600092778 /nfs/dbraw/zinc/09/27/78/600092778.db2.gz JLIDFYOAGMGBNY-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL O=C([O-])c1ccc(CCC(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000739255595 600100225 /nfs/dbraw/zinc/10/02/25/600100225.db2.gz BUCUKMNENMWNSE-UHFFFAOYSA-N -2 0 387.457 2.701 20 0 GFADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)c1O ZINC000436826757 600177296 /nfs/dbraw/zinc/17/72/96/600177296.db2.gz PVULRVZFRUZEPY-UHFFFAOYSA-N -2 0 384.369 2.610 20 0 GFADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)c2ccc(Oc3ccccc3)nc2)c1 ZINC000740235584 600242979 /nfs/dbraw/zinc/24/29/79/600242979.db2.gz HUGBABMCEACXKC-UHFFFAOYSA-N -2 0 398.396 2.691 20 0 GFADRL O=C([O-])c1ccoc1CSc1ccccc1C(=O)[N-]S(=O)(=O)CC1CC1 ZINC000739453672 600243399 /nfs/dbraw/zinc/24/33/99/600243399.db2.gz LIRATUUQAPWDOS-UHFFFAOYSA-N -2 0 395.458 2.740 20 0 GFADRL CC1(C)Cc2nc([N-]S(=O)(=O)c3ccc(CC(=O)[O-])cc3)sc2C(=O)C1 ZINC000736726237 600244041 /nfs/dbraw/zinc/24/40/41/600244041.db2.gz FZIDGMQMJORZAA-UHFFFAOYSA-N -2 0 394.474 2.726 20 0 GFADRL CCn1c(=O)c2ccc(C(=O)N3C[C@H](C(=O)[O-])c4ccccc43)cc2[n-]c1=S ZINC000737296394 600279540 /nfs/dbraw/zinc/27/95/40/600279540.db2.gz ZOWZJYDBGCMRGA-AWEZNQCLSA-N -2 0 395.440 2.534 20 0 GFADRL CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(CNC(=O)[O-])cc2)s1 ZINC000736144706 600301909 /nfs/dbraw/zinc/30/19/09/600301909.db2.gz GVGQIXSWEVPJBJ-SNVBAGLBSA-N -2 0 397.478 2.514 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)nc2)c(F)cc1F ZINC000740089939 600424847 /nfs/dbraw/zinc/42/48/47/600424847.db2.gz OTDJMIOSDNHCFO-UHFFFAOYSA-N -2 0 397.403 2.849 20 0 GFADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1ccc(Oc2ccc(F)cc2)cc1 ZINC000739693225 600462986 /nfs/dbraw/zinc/46/29/86/600462986.db2.gz XIRPEFVSSKGVDQ-UHFFFAOYSA-N -2 0 381.381 2.542 20 0 GFADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC000738993468 600488227 /nfs/dbraw/zinc/48/82/27/600488227.db2.gz VBMHRWHBLSNNIF-UHFFFAOYSA-N -2 0 399.446 2.799 20 0 GFADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccnn2CCc2ccccc2)cc1 ZINC000739886676 600629520 /nfs/dbraw/zinc/62/95/20/600629520.db2.gz UQNNEZXQPLGZKA-UHFFFAOYSA-N -2 0 385.445 2.554 20 0 GFADRL Cc1ccc(Oc2ccccc2[N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1 ZINC000832953752 600671648 /nfs/dbraw/zinc/67/16/48/600671648.db2.gz WQBKKAJPWRBEHW-UHFFFAOYSA-N -2 0 387.417 2.869 20 0 GFADRL CN(C(=O)[O-])c1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000830518488 600678191 /nfs/dbraw/zinc/67/81/91/600678191.db2.gz DOLPRDLHSSNFOT-UHFFFAOYSA-N -2 0 384.797 2.953 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(CN3CCCCC3=O)c2)cs1 ZINC000299493336 600678553 /nfs/dbraw/zinc/67/85/53/600678553.db2.gz JBHWGPIQWKLIAI-UHFFFAOYSA-N -2 0 394.474 2.760 20 0 GFADRL CCC1=C(C(=O)[O-])[C@H](c2scnc2C)NC(=O)N1CCCCCC(=O)[O-] ZINC000829069611 600783699 /nfs/dbraw/zinc/78/36/99/600783699.db2.gz NVJLEGZILZNXOB-CQSZACIVSA-N -2 0 381.454 2.912 20 0 GFADRL O=C([O-])COc1ccc(/C=C(/C(=O)[O-])c2ccncc2)cc1Br ZINC000833254354 600829110 /nfs/dbraw/zinc/82/91/10/600829110.db2.gz KONICQYDGAEAMG-KPKJPENVSA-N -2 0 378.178 2.933 20 0 GFADRL CCN(CC)C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000284972547 600890055 /nfs/dbraw/zinc/89/00/55/600890055.db2.gz DAIVHFJEKJVGFR-UHFFFAOYSA-N -2 0 390.461 2.976 20 0 GFADRL C[C@@H](C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1)c1ccco1 ZINC000826007786 600944414 /nfs/dbraw/zinc/94/44/14/600944414.db2.gz AISZXQAMTOUGIF-MRVPVSSYSA-N -2 0 391.323 2.605 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccnn2Cc2cccc3ccccc32)c[nH]1 ZINC000833306343 600977201 /nfs/dbraw/zinc/97/72/01/600977201.db2.gz SDPQPGKRXRIUEF-UHFFFAOYSA-N -2 0 396.428 2.912 20 0 GFADRL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2cccc(Br)n2)c1 ZINC000833297122 600981847 /nfs/dbraw/zinc/98/18/47/600981847.db2.gz IVMIYDIEAYXOSB-UHFFFAOYSA-N -2 0 391.630 2.997 20 0 GFADRL CCc1c([O-])nc(SC/C=C(\C)C(=O)[O-])n(-c2ccccc2OC)c1=O ZINC000737251076 601099749 /nfs/dbraw/zinc/09/97/49/601099749.db2.gz OESOQOYAGSIEIW-PKNBQFBNSA-N -2 0 376.434 2.632 20 0 GFADRL C[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)c1ccc(Cl)s1 ZINC000826008776 601142100 /nfs/dbraw/zinc/14/21/00/601142100.db2.gz NIBJCVFRWAUMPF-SECBINFHSA-N -2 0 387.866 2.849 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccnn1Cc1ccccc1 ZINC000831950030 601200908 /nfs/dbraw/zinc/20/09/08/601200908.db2.gz LPZTVHTULXQNFY-UHFFFAOYSA-N -2 0 393.446 2.501 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc(OCC(F)F)cc1 ZINC000831945953 601204801 /nfs/dbraw/zinc/20/48/01/601204801.db2.gz NENSQJFKJLDDAB-UHFFFAOYSA-N -2 0 393.389 2.900 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)n(-c2ccccc2F)n1 ZINC000832898446 601229305 /nfs/dbraw/zinc/22/93/05/601229305.db2.gz KEJCOIGKJBGZBX-UHFFFAOYSA-N -2 0 379.369 2.720 20 0 GFADRL Cc1nn(-c2ccccc2)c(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000833011049 601232076 /nfs/dbraw/zinc/23/20/76/601232076.db2.gz DAMHNJYRYUCMCV-UHFFFAOYSA-N -2 0 375.406 2.890 20 0 GFADRL CC(=O)N(Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)cc1)C(C)C ZINC000825822757 601233589 /nfs/dbraw/zinc/23/35/89/601233589.db2.gz HXYLTEHJRFIGLM-UHFFFAOYSA-N -2 0 394.449 2.844 20 0 GFADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc([S@@](=O)C(F)(F)F)cc2)c1 ZINC000748672083 601250784 /nfs/dbraw/zinc/25/07/84/601250784.db2.gz CCKLVYYDQGEVIU-HSZRJFAPSA-N -2 0 399.393 2.875 20 0 GFADRL CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)cc1OCC ZINC000013359941 601318917 /nfs/dbraw/zinc/31/89/17/601318917.db2.gz FLTURWFUTITXTL-UHFFFAOYSA-N -2 0 395.433 2.992 20 0 GFADRL CCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000829519761 601319185 /nfs/dbraw/zinc/31/91/85/601319185.db2.gz RTDHMKCPAXDAGU-XFXZXTDPSA-N -2 0 388.445 2.725 20 0 GFADRL COC(=O)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)ccc1Cl ZINC000044330213 601321788 /nfs/dbraw/zinc/32/17/88/601321788.db2.gz VFHDBDCJPAAXSW-UHFFFAOYSA-N -2 0 399.808 2.634 20 0 GFADRL CC(C)NC(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000737640560 601323129 /nfs/dbraw/zinc/32/31/29/601323129.db2.gz AOOVTBAFEPGMND-UHFFFAOYSA-N -2 0 395.412 2.855 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1c(C)cc(C)cc1C(=O)[O-] ZINC000110276720 601328611 /nfs/dbraw/zinc/32/86/11/601328611.db2.gz MUWUCAUKGBQBRX-UHFFFAOYSA-N -3 0 379.390 2.509 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]NC(=O)CCC2CCCCC2)c1C ZINC000066588616 601329519 /nfs/dbraw/zinc/32/95/19/601329519.db2.gz ZMOBGVIJCRWXRW-UHFFFAOYSA-N -2 0 382.482 2.672 20 0 GFADRL O=C([O-])/C=C/c1ccc(S(=O)(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)cc1 ZINC000833197216 601332032 /nfs/dbraw/zinc/33/20/32/601332032.db2.gz MSANWMJRAAOMHX-DNGMOHDESA-N -2 0 387.413 2.552 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)c1C ZINC000742231708 601333461 /nfs/dbraw/zinc/33/34/61/601333461.db2.gz DOUUTFDOWJLCPC-UHFFFAOYSA-N -2 0 385.344 2.779 20 0 GFADRL Cc1nc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)ccc1Br ZINC000316695742 601361218 /nfs/dbraw/zinc/36/12/18/601361218.db2.gz IAPBHICWMFDNLA-UHFFFAOYSA-N -2 0 389.202 2.791 20 0 GFADRL COc1cc(OC)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)cc1F ZINC000532290704 601489171 /nfs/dbraw/zinc/48/91/71/601489171.db2.gz APPZZUUAEPTARN-UHFFFAOYSA-N -2 0 383.397 2.959 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2cnn(-c3ccccc3F)c2)cc1C(=O)[O-] ZINC000361756539 601491851 /nfs/dbraw/zinc/49/18/51/601491851.db2.gz QQJWRMCBAOJVFJ-UHFFFAOYSA-N -2 0 391.380 2.519 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2cnn(-c3ccccc3F)c2)cc1C(=O)[O-] ZINC000447401347 601491889 /nfs/dbraw/zinc/49/18/89/601491889.db2.gz XOFIVNCVDMITDV-UHFFFAOYSA-N -2 0 375.381 2.819 20 0 GFADRL COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc3ccncc32)c1 ZINC000831242835 601492251 /nfs/dbraw/zinc/49/22/51/601492251.db2.gz SEACAAUJLGTFFJ-UHFFFAOYSA-N -2 0 386.385 2.520 20 0 GFADRL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1nnc(Cc2ccccc2)s1 ZINC000833318435 601502749 /nfs/dbraw/zinc/50/27/49/601502749.db2.gz OZVACSPFBJCBDN-UHFFFAOYSA-N -2 0 393.421 2.767 20 0 GFADRL Cc1sc2ccc(Cl)cc2c1S(=O)(=O)[N-]c1ccn(CC(=O)[O-])n1 ZINC000833036583 601558104 /nfs/dbraw/zinc/55/81/04/601558104.db2.gz JNRJSVMQVKDFME-UHFFFAOYSA-N -2 0 385.854 2.945 20 0 GFADRL O=C([O-])[C@H]1CCCCN1C(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000262593442 601743182 /nfs/dbraw/zinc/74/31/82/601743182.db2.gz VRRKHZGMQDXDHL-CQSZACIVSA-N -2 0 394.474 2.628 20 0 GFADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1nnc(CC2CCCCC2)s1 ZINC000833345469 601770393 /nfs/dbraw/zinc/77/03/93/601770393.db2.gz CABGXKZSUAZAEN-UHFFFAOYSA-N -2 0 388.496 2.616 20 0 GFADRL COc1cc(/C=C\C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(C)nc2C)c1OC ZINC000831972249 601771337 /nfs/dbraw/zinc/77/13/37/601771337.db2.gz HJEBWPPTGCPYPK-VURMDHGXSA-N -2 0 392.433 2.614 20 0 GFADRL COc1ccc2nc(Cl)ccc2c1S(=O)(=O)[N-]c1cc(C(=O)[O-])n(C)c1 ZINC000832510166 601784623 /nfs/dbraw/zinc/78/46/23/601784623.db2.gz DHOUHONCXOBLJT-UHFFFAOYSA-N -2 0 395.824 2.734 20 0 GFADRL CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC000829413592 601830489 /nfs/dbraw/zinc/83/04/89/601830489.db2.gz VODMUPCPVKVUJQ-UHFFFAOYSA-N -2 0 384.435 2.599 20 0 GFADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ccccc1OCC(F)(F)F ZINC000833346456 601832653 /nfs/dbraw/zinc/83/26/53/601832653.db2.gz PMARQRXERTVLJK-UHFFFAOYSA-N -2 0 382.341 2.583 20 0 GFADRL CCOc1ccc(OC)cc1[N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000751143947 601840696 /nfs/dbraw/zinc/84/06/96/601840696.db2.gz ZOJLDYVIVPTBNS-UHFFFAOYSA-N -2 0 387.360 2.871 20 0 GFADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccccc1O[C@H]1CCOC1 ZINC000268364017 601853942 /nfs/dbraw/zinc/85/39/42/601853942.db2.gz XOKQCYDYIIXDQA-AWEZNQCLSA-N -2 0 377.418 2.662 20 0 GFADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000832774185 601856933 /nfs/dbraw/zinc/85/69/33/601856933.db2.gz DUTDGASCLRRBEP-UHFFFAOYSA-N -3 0 385.394 2.745 20 0 GFADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)N1CCCc2cc(C(=O)[O-])ccc21 ZINC000566693565 601860494 /nfs/dbraw/zinc/86/04/94/601860494.db2.gz NEHOAQTZTOSUBI-UHFFFAOYSA-N -2 0 375.402 2.533 20 0 GFADRL Cc1ccc(/C=C\S(=O)(=O)[N-]c2nc3c(s2)CN(C(=O)[O-])CC3)cc1 ZINC000740124171 601977610 /nfs/dbraw/zinc/97/76/10/601977610.db2.gz QQMXYAKSBZQZRQ-CLFYSBASSA-N -2 0 379.463 2.900 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2nnc(-c3ccco3)s2)c(F)cc1F ZINC000833306438 602102525 /nfs/dbraw/zinc/10/25/25/602102525.db2.gz SWPPXJFIEACVLW-UHFFFAOYSA-N -2 0 387.345 2.575 20 0 GFADRL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1cc(CCc2ccccc2)[nH]n1 ZINC000833294551 602306621 /nfs/dbraw/zinc/30/66/21/602306621.db2.gz JMMBZAVXNYCXRM-UHFFFAOYSA-N -2 0 389.408 2.833 20 0 GFADRL O=C([O-])Nc1ccc(NC(=O)CCn2c(=O)c3ccccc3[n-]c2=S)cc1 ZINC000740709161 602502301 /nfs/dbraw/zinc/50/23/01/602502301.db2.gz TZQUJCJKYSDUSZ-UHFFFAOYSA-N -2 0 384.417 2.804 20 0 GFADRL CCCCN(CCCC)S(=O)(=O)[N-]C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000739334090 602566430 /nfs/dbraw/zinc/56/64/30/602566430.db2.gz PGKUEKLBSLXEBO-UHFFFAOYSA-N -2 0 389.449 2.792 20 0 GFADRL Cc1ccccc1S(=O)(=O)[N-]C(=O)CC[C@H](NC(=O)[O-])c1ccccc1 ZINC000740192339 602670204 /nfs/dbraw/zinc/67/02/04/602670204.db2.gz ZHLRPCLXIPSLTN-HNNXBMFYSA-N -2 0 376.434 2.589 20 0 GFADRL O=C([O-])N[C@@H](CCC(=O)[N-]S(=O)(=O)CC1CCCCC1)c1ccccc1 ZINC000740538449 602671470 /nfs/dbraw/zinc/67/14/70/602671470.db2.gz DPRUSWOXPQENLO-INIZCTEOSA-N -2 0 382.482 2.802 20 0 GFADRL COC(=O)c1ccccc1S(=O)(=O)[N-]c1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000828804091 603401690 /nfs/dbraw/zinc/40/16/90/603401690.db2.gz JLENGLVKYMCKKU-NSHDSACASA-N -2 0 378.406 2.603 20 0 GFADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N(C)CC[C@@H](NC(=O)[O-])C(C)C)n1 ZINC000830068701 603553442 /nfs/dbraw/zinc/55/34/42/603553442.db2.gz OQQKCIKGHAFAOF-CQSZACIVSA-N -2 0 392.431 2.780 20 0 GFADRL O=C([O-])Nc1cc(C(=O)[N-]S(=O)(=O)Cc2ccccc2Cl)ccc1F ZINC000832821343 603678345 /nfs/dbraw/zinc/67/83/45/603678345.db2.gz YMKDABIZLLNWHW-UHFFFAOYSA-N -2 0 386.788 2.829 20 0 GFADRL CC(C)(C(=O)[O-])[C@H](NC(=O)CSc1n[n-]c(=S)s1)c1ccccc1 ZINC000826090067 604377867 /nfs/dbraw/zinc/37/78/67/604377867.db2.gz PEOGMOOJPYUHIL-LLVKDONJSA-N -2 0 383.520 2.887 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2nnc(SCc3ccccc3)s2)o1 ZINC000833324164 604403549 /nfs/dbraw/zinc/40/35/49/604403549.db2.gz JGWVWAZYGFEETJ-UHFFFAOYSA-N -2 0 397.459 2.922 20 0 GFADRL O=C([O-])CCc1csc([N-]S(=O)(=O)c2ccccc2Br)n1 ZINC000833244135 604626088 /nfs/dbraw/zinc/62/60/88/604626088.db2.gz SOYUOFLTDHHLNG-UHFFFAOYSA-N -2 0 391.268 2.724 20 0 GFADRL COc1cc(OC)cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC(C)C)c1 ZINC000484972678 604632023 /nfs/dbraw/zinc/63/20/23/604632023.db2.gz MIQKAYLETRICLS-UHFFFAOYSA-N -2 0 395.433 2.990 20 0 GFADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F ZINC000833228288 604655321 /nfs/dbraw/zinc/65/53/21/604655321.db2.gz KSAMCNJSMQTHMS-DHZHZOJOSA-N -2 0 399.774 2.597 20 0 GFADRL COC(=O)C1CCC(NC(=O)c2ccc(Cl)c(Cl)c2[O-])(C(=O)[O-])CC1 ZINC000833706395 604746085 /nfs/dbraw/zinc/74/60/85/604746085.db2.gz ZLCYZMONCQXASC-UHFFFAOYSA-N -2 0 390.219 2.615 20 0 GFADRL Cc1noc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Br)c1C ZINC000115917031 604771848 /nfs/dbraw/zinc/77/18/48/604771848.db2.gz ZYGANGMVDMFUBD-UHFFFAOYSA-N -2 0 375.200 2.553 20 0 GFADRL CCCCn1ncc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2OC)c1C ZINC000833651509 604861252 /nfs/dbraw/zinc/86/12/52/604861252.db2.gz NBSPERUTNGOLHG-UHFFFAOYSA-N -2 0 397.453 2.508 20 0 GFADRL CCc1nc([N-]S(=O)(=O)c2c(Cl)nc3sccn32)sc1C(=O)[O-] ZINC000833674575 604990648 /nfs/dbraw/zinc/99/06/48/604990648.db2.gz DONNNXVQNGCBEO-UHFFFAOYSA-N -2 0 392.871 2.567 20 0 GFADRL CC(C)(C)OCc1ccccc1C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000833445709 605020960 /nfs/dbraw/zinc/02/09/60/605020960.db2.gz NIRJIBQQAQADIY-UHFFFAOYSA-N -2 0 397.474 2.880 20 0 GFADRL CCS(=O)(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000833668539 605053748 /nfs/dbraw/zinc/05/37/48/605053748.db2.gz SEUGQHAKFKYYKZ-UHFFFAOYSA-N -2 0 397.474 2.596 20 0 GFADRL Cc1cccc(C2(C(=O)[N-]S(=O)(=O)c3ccc(C(=O)[O-])c(Cl)c3)CC2)c1 ZINC000833752683 605119968 /nfs/dbraw/zinc/11/99/68/605119968.db2.gz ROYCZRVOBWCGGU-UHFFFAOYSA-N -2 0 393.848 2.883 20 0 GFADRL COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)c(C(=O)[O-])c1 ZINC000507612577 605166746 /nfs/dbraw/zinc/16/67/46/605166746.db2.gz FISHVELHBWXOIH-UHFFFAOYSA-N -2 0 379.390 2.509 20 0 GFADRL C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])co3)cc2F)C[C@@H](C)O1 ZINC000833635473 605185197 /nfs/dbraw/zinc/18/51/97/605185197.db2.gz UFPQFOOCHLYKIO-GHMZBOCLSA-N -2 0 398.412 2.531 20 0 GFADRL CC(C)(C)[S@](=O)Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)c1 ZINC000833447757 605186989 /nfs/dbraw/zinc/18/69/89/605186989.db2.gz UZVZEFIQDIKEQS-XMMPIXPASA-N -2 0 385.463 2.826 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2csnc2C(=O)[O-])nn1-c1cccc(Cl)c1 ZINC000833746563 605202958 /nfs/dbraw/zinc/20/29/58/605202958.db2.gz CLGHIKQDWYOBIA-UHFFFAOYSA-N -2 0 398.853 2.790 20 0 GFADRL Cc1sc([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)c(C(=O)[O-])c1C ZINC000833758414 605302876 /nfs/dbraw/zinc/30/28/76/605302876.db2.gz WMRXLKWCMKLUKW-UHFFFAOYSA-N -2 0 378.431 2.705 20 0 GFADRL O=C([O-])N[C@H](CC(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F)c1ccccc1 ZINC000834121206 606048406 /nfs/dbraw/zinc/04/84/06/606048406.db2.gz GLTZLQHKERLWPA-GDBMZVCRSA-N -2 0 378.331 2.606 20 0 GFADRL Cn1cnc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc(C(F)(F)F)c2)c1Cl ZINC000067124873 654931163 /nfs/dbraw/zinc/93/11/63/654931163.db2.gz SHFDZBLIHDCYDY-UHFFFAOYSA-N -2 0 383.735 2.591 20 0 GFADRL CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C(=O)[O-])s1 ZINC000067659979 654942728 /nfs/dbraw/zinc/94/27/28/654942728.db2.gz SWNGCMIWQDEIHX-SNVBAGLBSA-N -2 0 382.463 2.753 20 0 GFADRL C[C@@H](CCNS(=O)(=O)c1cccc(Cl)c1Br)CC(=O)[O-] ZINC000276854841 655290453 /nfs/dbraw/zinc/29/04/53/655290453.db2.gz FLFAFNVMYOZWMN-QMMMGPOBSA-N -2 0 384.679 2.882 20 0 GFADRL CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2c(C)nn(C)c2Cl)cc1)C(=O)[O-] ZINC000184902273 655360543 /nfs/dbraw/zinc/36/05/43/655360543.db2.gz LPGPQCQIBWRVLG-LBPRGKRZSA-N -2 0 385.873 2.836 20 0 GFADRL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)C(F)F ZINC000577757731 655466586 /nfs/dbraw/zinc/46/65/86/655466586.db2.gz DZXQOARFUBJFLX-RXMQYKEDSA-N -2 0 380.171 2.767 20 0 GFADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)CCCSc1ccc(Cl)cc1 ZINC000739693357 655694362 /nfs/dbraw/zinc/69/43/62/655694362.db2.gz YZCOMLLUYFXNPJ-UHFFFAOYSA-N -2 0 379.887 2.523 20 0 GFADRL COc1cc(S(=O)(=O)[N-]c2ccc(Cl)nc2)c(Cl)cc1C(=O)[O-] ZINC000749143030 655800995 /nfs/dbraw/zinc/80/09/95/655800995.db2.gz PDSFKINKECWGKU-UHFFFAOYSA-N -2 0 377.205 2.896 20 0 GFADRL COC(=O)c1[nH]c(C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1Cl ZINC000753780502 655858626 /nfs/dbraw/zinc/85/86/26/655858626.db2.gz ROFQSPIQROKWAA-UHFFFAOYSA-N -2 0 386.813 2.571 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cn(C)nc2C(F)(F)F)c1Cl ZINC000766050058 656158874 /nfs/dbraw/zinc/15/88/74/656158874.db2.gz FWEMFJPOKAIEAU-UHFFFAOYSA-N -2 0 397.762 2.900 20 0 GFADRL COC(=O)c1csc([N-]S(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)c1 ZINC000767733498 656217319 /nfs/dbraw/zinc/21/73/19/656217319.db2.gz ATSFJMDVKHYUOG-UHFFFAOYSA-N -2 0 393.801 2.826 20 0 GFADRL O=C([O-])c1cc2c(cc1[N-]S(=O)(=O)c1ccc(Cl)nc1Cl)OCO2 ZINC000776443099 656741941 /nfs/dbraw/zinc/74/19/41/656741941.db2.gz NCGASIYNKQLBSX-UHFFFAOYSA-N -2 0 391.188 2.616 20 0 GFADRL C[C@@H](CC(C)(C)[N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)[O-] ZINC000777909489 656841643 /nfs/dbraw/zinc/84/16/43/656841643.db2.gz YWLBPFRDXFXQTO-YFKPBYRVSA-N -2 0 375.315 2.550 20 0 GFADRL Cc1onc(OC(F)F)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C ZINC000788130653 657654760 /nfs/dbraw/zinc/65/47/60/657654760.db2.gz IAFQFYRMCJKTMF-UHFFFAOYSA-N -2 0 380.300 2.531 20 0 GFADRL COc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(OC)cc2Cl)c1O ZINC000790405418 657969807 /nfs/dbraw/zinc/96/98/07/657969807.db2.gz RIFNXBMMIYKDMM-UHFFFAOYSA-N -2 0 387.797 2.562 20 0 GFADRL C[C@@H](c1ccc(Cl)cc1Cl)S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C1CC1 ZINC000863957677 662351175 /nfs/dbraw/zinc/35/11/75/662351175.db2.gz SBEXTLFNLLDQHD-JVXZTZIISA-N -2 0 380.249 2.611 20 0 GFADRL C[C@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1oc2ccccc2c1Br ZINC000864431168 662370363 /nfs/dbraw/zinc/37/03/63/662370363.db2.gz NBUWXHVMAXPVDR-SECBINFHSA-N -2 0 390.255 2.975 20 0 GFADRL O=S(=O)(CC1(F)CC1)[N-]c1ccccc1S(=O)(=O)[N-]c1ccccc1 ZINC000903622097 663793741 /nfs/dbraw/zinc/79/37/41/663793741.db2.gz SRXAJYYBFMLONC-UHFFFAOYSA-N -2 0 384.454 2.731 20 0 GFADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@H](C(=O)[O-])c1csc(Br)c1 ZINC000906003236 663907612 /nfs/dbraw/zinc/90/76/12/663907612.db2.gz AWIYEVJHWVQZSJ-FFWSUHOLSA-N -2 0 396.206 2.507 20 0 GFADRL COc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(C)s2)c(OC)c1OC ZINC000013032723 551108345 /nfs/dbraw/zinc/10/83/45/551108345.db2.gz ZVLOHVZKPUZKSV-UHFFFAOYSA-N -2 0 387.435 2.581 20 0 GFADRL Cc1cc(Br)cc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)c1 ZINC000187571472 552419213 /nfs/dbraw/zinc/41/92/13/552419213.db2.gz MFCSZAHYULSSEQ-UHFFFAOYSA-N -2 0 389.209 2.655 20 0 GFADRL Cc1nc(CNS(=O)(=O)c2cccc(Cl)c2Cl)sc1C(=O)[O-] ZINC000315714000 563440932 /nfs/dbraw/zinc/44/09/32/563440932.db2.gz QTXYFUFADCQGNE-UHFFFAOYSA-N -2 0 381.262 2.935 20 0 GFADRL O=C([O-])c1cc(Br)cc(S(=O)(=O)[N-]c2cccc(O)c2)c1F ZINC000315744782 563441035 /nfs/dbraw/zinc/44/10/35/563441035.db2.gz MJVYCKDADWSBCV-UHFFFAOYSA-N -2 0 390.186 2.793 20 0 GFADRL COc1ccc(OC(F)F)c([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)c1 ZINC000327642932 563459427 /nfs/dbraw/zinc/45/94/27/563459427.db2.gz SYNBIODEOQFFCX-UHFFFAOYSA-N -2 0 377.321 2.697 20 0 GFADRL COc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)ccc1C(=O)[O-] ZINC000432777923 563593152 /nfs/dbraw/zinc/59/31/52/563593152.db2.gz BXWBNOQGJHCGOT-UHFFFAOYSA-N -2 0 385.781 2.546 20 0 GFADRL O=C([O-])c1cc(Br)cc(S(=O)(=O)[N-]c2ccccc2O)c1F ZINC000433801725 563619879 /nfs/dbraw/zinc/61/98/79/563619879.db2.gz FIJSVZFCASVDSL-UHFFFAOYSA-N -2 0 390.186 2.793 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)cc(Cl)c1O ZINC000471974603 564208899 /nfs/dbraw/zinc/20/88/99/564208899.db2.gz AKIBSDDCGNTYTI-UHFFFAOYSA-N -2 0 375.761 2.692 20 0 GFADRL CSc1cccc(C)c1NS(=O)(=O)c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000471959566 564209026 /nfs/dbraw/zinc/20/90/26/564209026.db2.gz WNIFJUFVUORQOM-UHFFFAOYSA-N -2 0 381.431 2.914 20 0 GFADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000542004863 564298292 /nfs/dbraw/zinc/29/82/92/564298292.db2.gz BJPWEGGCWRAICY-UHFFFAOYSA-N -2 0 376.312 2.608 20 0 GFADRL O=C([O-])CCc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C(=O)[O-])cc1 ZINC000509653390 564308137 /nfs/dbraw/zinc/30/81/37/564308137.db2.gz RSUCWEVMELIOFD-UHFFFAOYSA-N -2 0 383.809 2.856 20 0 GFADRL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)C(F)(F)F ZINC000568002125 564399372 /nfs/dbraw/zinc/39/93/72/564399372.db2.gz RUQZQUBTRUXMLM-RXMQYKEDSA-N -2 0 381.706 2.550 20 0 GFADRL COC[C@H](C)n1ccc([N-]S(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)n1 ZINC000479230570 564432907 /nfs/dbraw/zinc/43/29/07/564432907.db2.gz FLPNDFURSFNYQY-VIFPVBQESA-N -2 0 387.845 2.551 20 0 GFADRL Cc1c(Cl)cc(S(=O)(=O)N(C)c2ccc(C(=O)[O-])cc2)cc1C(=O)[O-] ZINC000479277759 564434479 /nfs/dbraw/zinc/43/44/79/564434479.db2.gz JVZXGXVLWDWQFL-UHFFFAOYSA-N -2 0 383.809 2.870 20 0 GFADRL Cc1cccc(C(N)=O)c1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C ZINC000479460939 564441786 /nfs/dbraw/zinc/44/17/86/564441786.db2.gz VZBHGMUGQGSMHB-UHFFFAOYSA-N -2 0 382.825 2.555 20 0 GFADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(-c2ccc(Cl)cc2)c1 ZINC000479571549 564443419 /nfs/dbraw/zinc/44/34/19/564443419.db2.gz ZXIMLMCEIXEGQY-UHFFFAOYSA-N -2 0 381.797 2.926 20 0 GFADRL Cn1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2OC(F)F)cc1C(=O)[O-] ZINC000546540082 564458099 /nfs/dbraw/zinc/45/80/99/564458099.db2.gz FLRSQAVIQZQLIZ-UHFFFAOYSA-N -2 0 380.756 2.779 20 0 GFADRL COC(=O)c1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc(Cl)c1F ZINC000480213977 564464059 /nfs/dbraw/zinc/46/40/59/564464059.db2.gz AJUZRDPZQBKHJQ-UHFFFAOYSA-N -2 0 393.801 2.826 20 0 GFADRL Cn1cc(S(=O)(=O)[N-]c2ccc(Sc3nncs3)cc2)cc1C(=O)[O-] ZINC000515837829 564488771 /nfs/dbraw/zinc/48/87/71/564488771.db2.gz LEGKHISQUCCCOX-UHFFFAOYSA-N -2 0 396.475 2.527 20 0 GFADRL O=C([O-])c1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2ncsc2c1 ZINC000547546258 564492761 /nfs/dbraw/zinc/49/27/61/564492761.db2.gz CLZNNRPTFWEATQ-UHFFFAOYSA-N -2 0 379.375 2.704 20 0 GFADRL COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(F)c1C(=O)[O-] ZINC000547866002 564514066 /nfs/dbraw/zinc/51/40/66/564514066.db2.gz HMRMEAHSOYRKQR-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-]c1cc(Br)ccc1C(=O)[O-] ZINC000547907656 564519003 /nfs/dbraw/zinc/51/90/03/564519003.db2.gz AIKBQHNGQBFNCO-RXMQYKEDSA-N -2 0 376.150 2.840 20 0 GFADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@H](Cc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000548241740 564541538 /nfs/dbraw/zinc/54/15/38/564541538.db2.gz DQPUASSRKVOHTA-LHLIQPBNSA-N -2 0 394.198 2.859 20 0 GFADRL Cc1ccc([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)cc1C(=O)[O-] ZINC000484805993 564599775 /nfs/dbraw/zinc/59/97/75/564599775.db2.gz BOYHXKMAYBKIQH-UHFFFAOYSA-N -2 0 382.781 2.582 20 0 GFADRL O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2csc(-c3ccccn3)n2)c1 ZINC000583210534 564881349 /nfs/dbraw/zinc/88/13/49/564881349.db2.gz BGHURJYTTUWLPX-UHFFFAOYSA-N -2 0 375.431 2.633 20 0 GFADRL Cc1ccc(Br)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)c1 ZINC000498008187 564885202 /nfs/dbraw/zinc/88/52/02/564885202.db2.gz SNIJIKAPPKNBEA-UHFFFAOYSA-N -2 0 386.223 2.962 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2cc3c(cc2C(=O)[O-])OCCO3)sc1Cl ZINC000530540830 564887393 /nfs/dbraw/zinc/88/73/93/564887393.db2.gz FZXNYRUZZPXAEY-UHFFFAOYSA-N -2 0 389.838 2.980 20 0 GFADRL O=C([O-])c1cc(Br)cc(S(=O)(=O)[N-]c2cnn(C(F)F)c2)c1 ZINC000463794621 564890617 /nfs/dbraw/zinc/89/06/17/564890617.db2.gz ADDQONAEIDHYHK-UHFFFAOYSA-N -2 0 396.169 2.540 20 0 GFADRL CCn1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2NC(C)=O)cc1C(=O)[O-] ZINC000504230741 565036422 /nfs/dbraw/zinc/03/64/22/565036422.db2.gz VHOGURNBNIRYDU-UHFFFAOYSA-N -2 0 385.829 2.619 20 0 GFADRL CCn1cc(S(=O)(=O)[N-]c2ccc(-c3csnn3)cc2)cc1C(=O)[O-] ZINC000504267238 565037144 /nfs/dbraw/zinc/03/71/44/565037144.db2.gz KTJHNEUDADCNOE-UHFFFAOYSA-N -2 0 378.435 2.526 20 0 GFADRL O=C([O-])CCOc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)cc1 ZINC000504507547 565041279 /nfs/dbraw/zinc/04/12/79/565041279.db2.gz JEJMLAHCZGGXFV-UHFFFAOYSA-N -2 0 375.324 2.758 20 0 GFADRL Cc1ccc([N-]S(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2)c(O)c1 ZINC000537740868 565062152 /nfs/dbraw/zinc/06/21/52/565062152.db2.gz ZFFUYBDNOWKYIE-UHFFFAOYSA-N -2 0 386.223 2.962 20 0 GFADRL COc1cc(S(=O)(=O)[N-]c2cnn(C)c2C(F)F)c(Cl)cc1C(=O)[O-] ZINC000677551786 565976697 /nfs/dbraw/zinc/97/66/97/565976697.db2.gz HMEQZPPWYYFHJT-UHFFFAOYSA-N -2 0 395.771 2.519 20 0 GFADRL COC(=O)c1csc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1C ZINC000611443741 566130430 /nfs/dbraw/zinc/13/04/30/566130430.db2.gz TVGOLKREQLUOCK-UHFFFAOYSA-N -2 0 389.838 2.996 20 0 GFADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cc(F)ccc1OC[C@H]1CCCO1 ZINC000740242261 599740390 /nfs/dbraw/zinc/74/03/90/599740390.db2.gz SJXRQMSANAUNLZ-CYBMUJFWSA-N -2 0 395.408 2.883 20 0 GFADRL O=C([O-])Cc1csc([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)n1 ZINC000738632257 599802384 /nfs/dbraw/zinc/80/23/84/599802384.db2.gz ATQUDYXGIUDNGG-UHFFFAOYSA-N -2 0 381.460 2.695 20 0 GFADRL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000737717709 599814474 /nfs/dbraw/zinc/81/44/74/599814474.db2.gz NWBZOUVFKLRCFF-UHFFFAOYSA-N -2 0 375.811 2.687 20 0 GFADRL COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)c1 ZINC000737691170 599854918 /nfs/dbraw/zinc/85/49/18/599854918.db2.gz MODGGQXPDSRGIV-UHFFFAOYSA-N -2 0 397.836 2.945 20 0 GFADRL Cc1c[nH]c(=O)n1-c1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000477394040 599907227 /nfs/dbraw/zinc/90/72/27/599907227.db2.gz QZXGHQOBGAHDLC-UHFFFAOYSA-N -2 0 387.417 2.694 20 0 GFADRL COC(=O)c1ccccc1S(=O)(=O)[N-]c1cccc(CSCC(=O)[O-])c1 ZINC000737710656 599926340 /nfs/dbraw/zinc/92/63/40/599926340.db2.gz AJWUEGMLDMRHPC-UHFFFAOYSA-N -2 0 395.458 2.592 20 0 GFADRL Cc1noc2ncc(S(=O)(=O)[N-]c3cccc(CSCC(=O)[O-])c3)cc12 ZINC000738955803 599927045 /nfs/dbraw/zinc/92/70/45/599927045.db2.gz SAHIHPRUCSRKKP-UHFFFAOYSA-N -2 0 393.446 2.650 20 0 GFADRL CCCCN1C(=O)N[C@H](c2cccc(O[C@H](C)C(=O)[O-])c2)C(C(=O)[O-])=C1C ZINC000736993880 599983997 /nfs/dbraw/zinc/98/39/97/599983997.db2.gz JREGGGWOKZQTBL-MLGOLLRUSA-N -2 0 376.409 2.764 20 0 GFADRL CC1=C(C(=O)[O-])[C@H](c2ccc3ncccc3c2)NC(=O)N1CCCCC(=O)[O-] ZINC000736752172 599989039 /nfs/dbraw/zinc/98/90/39/599989039.db2.gz UYPXLQATUYBRIG-SFHVURJKSA-N -2 0 383.404 2.915 20 0 GFADRL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccnn1Cc1ccccc1F ZINC000740145423 599998591 /nfs/dbraw/zinc/99/85/91/599998591.db2.gz RKVLGCFTHNDQMZ-UHFFFAOYSA-N -2 0 393.371 2.709 20 0 GFADRL Cc1cccc(S(=O)(=O)[N-]c2ccnn2CCc2ccccc2)c1C(=O)[O-] ZINC000738743369 600055278 /nfs/dbraw/zinc/05/52/78/600055278.db2.gz DLUNFEBKPGUDKA-UHFFFAOYSA-N -2 0 385.445 2.933 20 0 GFADRL CC(=O)c1cccc(S(=O)(=O)[N-]c2nc3nc(C)cc(C(=O)[O-])c3s2)c1 ZINC000736197211 600101765 /nfs/dbraw/zinc/10/17/65/600101765.db2.gz SIAUUVHBLQFDFP-UHFFFAOYSA-N -2 0 391.430 2.701 20 0 GFADRL C[C@H](CNC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1)C(=O)[O-] ZINC000736600740 600119215 /nfs/dbraw/zinc/11/92/15/600119215.db2.gz XBVBAKDAIFPESL-LLVKDONJSA-N -2 0 396.852 2.591 20 0 GFADRL CC(C)(C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-])c1cccc(Cl)c1 ZINC000736223768 600352532 /nfs/dbraw/zinc/35/25/32/600352532.db2.gz NJJDCPRXZXCQIU-UHFFFAOYSA-N -2 0 387.866 2.882 20 0 GFADRL CC(C)(C)[C@@H]1CCc2sc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])cc2C1 ZINC000736252619 600464677 /nfs/dbraw/zinc/46/46/77/600464677.db2.gz RDBSWXVGAQQUST-GFCCVEGCSA-N -2 0 387.523 2.824 20 0 GFADRL COC(=O)CCCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC000737596781 600489289 /nfs/dbraw/zinc/48/92/89/600489289.db2.gz VHQKJFMXWADFFQ-UHFFFAOYSA-N -2 0 399.446 2.579 20 0 GFADRL CCOC(=O)c1sc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])cc1C ZINC000737156226 600512597 /nfs/dbraw/zinc/51/25/97/600512597.db2.gz IXUSWFNBTUPHQX-UHFFFAOYSA-N -2 0 387.410 2.871 20 0 GFADRL CC(C)(C)[C@@H](NC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1)C(=O)[O-] ZINC000675984493 600528986 /nfs/dbraw/zinc/52/89/86/600528986.db2.gz DALRWLAPCCXUHK-AWEZNQCLSA-N -2 0 396.490 2.778 20 0 GFADRL CCNc1ccc(C(=O)OCC)cc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000511139017 600673758 /nfs/dbraw/zinc/67/37/58/600673758.db2.gz BAYRQWGDKQNJCJ-UHFFFAOYSA-N -2 0 398.462 2.856 20 0 GFADRL Cc1ccc(Nc2ccccc2[N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1 ZINC000738636539 600673957 /nfs/dbraw/zinc/67/39/57/600673957.db2.gz PYJOBKWIXODOOE-UHFFFAOYSA-N -2 0 386.433 2.821 20 0 GFADRL CC(C)COC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1 ZINC000299213837 600812842 /nfs/dbraw/zinc/81/28/42/600812842.db2.gz QUEAWYQPRKIIPM-UHFFFAOYSA-N -2 0 395.437 2.729 20 0 GFADRL Cn1cc(S(=O)(=O)Nc2ccc(C(C)(C)C)cc2C(=O)[O-])cc1C(=O)[O-] ZINC000511713536 600813294 /nfs/dbraw/zinc/81/32/94/600813294.db2.gz FSTZRVVDNXSQQZ-UHFFFAOYSA-N -2 0 380.422 2.520 20 0 GFADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2ccc3ncccc3c2)c1OC ZINC000484980007 600897627 /nfs/dbraw/zinc/89/76/27/600897627.db2.gz WPRRYPFLXAIYJA-UHFFFAOYSA-N -2 0 388.401 2.751 20 0 GFADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2c(F)cc(F)cc2F)c1OC ZINC000484975960 600897660 /nfs/dbraw/zinc/89/76/60/600897660.db2.gz LOPVHDFRVVRNGI-UHFFFAOYSA-N -2 0 391.323 2.620 20 0 GFADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)s1 ZINC000265796612 600899924 /nfs/dbraw/zinc/89/99/24/600899924.db2.gz VQDYYLQSTWGHKW-UHFFFAOYSA-N -2 0 383.447 2.698 20 0 GFADRL CCCCCC[C@](C)(CC)C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000829358125 600943398 /nfs/dbraw/zinc/94/33/98/600943398.db2.gz YZNUTZRQUTYCMG-KRWDZBQOSA-N -2 0 376.519 2.531 20 0 GFADRL CC(C)[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000826677763 600943395 /nfs/dbraw/zinc/94/33/95/600943395.db2.gz ZDWBTQGZNJOQNC-QGZVFWFLSA-N -2 0 375.446 2.771 20 0 GFADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)[C@@H]2C[C@@]23CCCc2ccccc23)cc1 ZINC000833314200 600944311 /nfs/dbraw/zinc/94/43/11/600944311.db2.gz DPBRYGWJQCSVQE-GHTZIAJQSA-N -2 0 399.468 2.625 20 0 GFADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC000737950024 601120484 /nfs/dbraw/zinc/12/04/84/601120484.db2.gz WICYNRPXTUQMBQ-UHFFFAOYSA-N -3 0 385.781 2.546 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cccc(Cl)c1OC ZINC000831946327 601203029 /nfs/dbraw/zinc/20/30/29/601203029.db2.gz UPDCEWTUJXBQTD-UHFFFAOYSA-N -2 0 377.827 2.918 20 0 GFADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(O[C@H]3CCCC[C@H]3O)cc2)c1 ZINC000521313164 601203369 /nfs/dbraw/zinc/20/33/69/601203369.db2.gz NRJSYVVVRPUIJR-CABCVRRESA-N -2 0 397.474 2.929 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnc2c(cnn2C(C)C)c1 ZINC000046303845 601322933 /nfs/dbraw/zinc/32/29/33/601322933.db2.gz QOZTVAVAMWITRQ-UHFFFAOYSA-N -2 0 390.421 2.520 20 0 GFADRL CNC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000831005872 601323208 /nfs/dbraw/zinc/32/32/08/601323208.db2.gz ZPALOYBDFRKWQX-WTKPLQERSA-N -2 0 394.836 2.598 20 0 GFADRL COC(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000831253009 601323484 /nfs/dbraw/zinc/32/34/84/601323484.db2.gz YZICWWQIQUXLMN-WTKPLQERSA-N -2 0 379.365 2.511 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(-c2noc(C)n2)c1 ZINC000363385186 601327157 /nfs/dbraw/zinc/32/71/57/601327157.db2.gz VNAXWPAZFKXAGK-UHFFFAOYSA-N -2 0 389.389 2.553 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1O ZINC000462106712 601332607 /nfs/dbraw/zinc/33/26/07/601332607.db2.gz YPQTYIDIDMCXMG-UHFFFAOYSA-N -2 0 391.323 2.919 20 0 GFADRL COC(=O)c1sc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)nc1C(C)(C)C ZINC000831479197 601362941 /nfs/dbraw/zinc/36/29/41/601362941.db2.gz KCLAAZWOAGAXRY-UHFFFAOYSA-N -2 0 398.462 2.726 20 0 GFADRL O=C([O-])C[C@H](NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-])c1cccs1 ZINC000833200094 601387255 /nfs/dbraw/zinc/38/72/55/601387255.db2.gz INKLAMRKXQTPDW-LBPRGKRZSA-N -2 0 375.381 2.724 20 0 GFADRL CC[C@@](C)(CC(=O)[O-])NC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000767056041 601471528 /nfs/dbraw/zinc/47/15/28/601471528.db2.gz NYUWKJLACZKTJL-KRWDZBQOSA-N -2 0 396.490 2.922 20 0 GFADRL Cc1ccc2cccc(S(=O)(=O)[N-]c3ccc4[nH]nc(C(=O)[O-])c4c3)c2n1 ZINC000832961957 601558007 /nfs/dbraw/zinc/55/80/07/601558007.db2.gz KARAVAMUPLOVBI-UHFFFAOYSA-N -2 0 382.401 2.919 20 0 GFADRL O=C([O-])CCOc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)on2)cc1 ZINC000833239856 601576736 /nfs/dbraw/zinc/57/67/36/601576736.db2.gz WRIBNEGXCVKFET-UHFFFAOYSA-N -2 0 388.401 2.996 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2csnc2C(=O)[O-])c(Br)c1 ZINC000832956667 601602900 /nfs/dbraw/zinc/60/29/00/601602900.db2.gz PKEWRCCVACKSNI-UHFFFAOYSA-N -2 0 377.241 2.713 20 0 GFADRL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Br)c1O ZINC000754825589 601604968 /nfs/dbraw/zinc/60/49/68/601604968.db2.gz BDQZXNXZPIUTRF-UHFFFAOYSA-N -2 0 386.223 2.962 20 0 GFADRL C[C@H](C(=O)[O-])[C@H](NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O)c1ccccc1 ZINC000826044849 601634520 /nfs/dbraw/zinc/63/45/20/601634520.db2.gz MRYQZCTVAWBSES-BONVTDFDSA-N -2 0 383.429 2.816 20 0 GFADRL Cc1sc(C(=O)[O-])cc1COC(=O)c1ccc(F)cc1[N-]S(C)(=O)=O ZINC000833033044 601723864 /nfs/dbraw/zinc/72/38/64/601723864.db2.gz PIQOMSLRRDJEFP-UHFFFAOYSA-N -2 0 387.410 2.622 20 0 GFADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N[C@@H](C(=O)[O-])c2ccccc2F)n1 ZINC000832890105 601741029 /nfs/dbraw/zinc/74/10/29/601741029.db2.gz OPZKEQIDCRHSEZ-MRXNPFEDSA-N -2 0 387.342 2.720 20 0 GFADRL C[C@H](NC(=O)c1nn(-c2c(Cl)cc(Cl)cc2Cl)cc1[O-])C(=O)[O-] ZINC000832840191 601755823 /nfs/dbraw/zinc/75/58/23/601755823.db2.gz MKMRHNKPOPWAMU-YFKPBYRVSA-N -2 0 378.599 2.741 20 0 GFADRL Cc1ccc([N-]S(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2)c(C)n1 ZINC000832952817 601771290 /nfs/dbraw/zinc/77/12/90/601771290.db2.gz BSNKYBZEBGFNGL-UHFFFAOYSA-N -2 0 385.239 2.960 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnn(CC(F)(F)F)c2)ccc1Cl ZINC000118301408 601829616 /nfs/dbraw/zinc/82/96/16/601829616.db2.gz PKBFZVWLZUJURN-UHFFFAOYSA-N -2 0 383.735 2.598 20 0 GFADRL Cc1cn(-c2ccccc2)nc1[N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC000832985700 601841276 /nfs/dbraw/zinc/84/12/76/601841276.db2.gz YFNVTNLTIYGLCL-UHFFFAOYSA-N -2 0 392.824 2.728 20 0 GFADRL CCCS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000761745789 601876451 /nfs/dbraw/zinc/87/64/51/601876451.db2.gz LTMKHKHRGGSMRY-UHFFFAOYSA-N -2 0 380.397 2.928 20 0 GFADRL Cc1nc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OCc2ccccc2)c[nH]1 ZINC000833009282 601987613 /nfs/dbraw/zinc/98/76/13/601987613.db2.gz HENRPWKBZVYXSI-UHFFFAOYSA-N -2 0 387.417 2.796 20 0 GFADRL Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(OCC(=O)[O-])c2ccccc12 ZINC000833023099 602124753 /nfs/dbraw/zinc/12/47/53/602124753.db2.gz TUWFJYNDPMNZNX-UHFFFAOYSA-N -2 0 376.390 2.709 20 0 GFADRL O=C([O-])N1CCc2cc(NC(=O)c3ccc4c(=O)[nH]c(=S)[n-]c4c3)ccc21 ZINC000740471242 602272652 /nfs/dbraw/zinc/27/26/52/602272652.db2.gz VDGZEHGCZCGNNQ-UHFFFAOYSA-N -2 0 382.401 2.917 20 0 GFADRL O=C([O-])c1cc2c(c(S(=O)(=O)Nc3ccc(C(=O)[O-])c(F)c3)c1)CCC2 ZINC000533166783 602322479 /nfs/dbraw/zinc/32/24/79/602322479.db2.gz CSKZQDOUNROGEJ-UHFFFAOYSA-N -2 0 379.365 2.512 20 0 GFADRL C[C@H](NC(=O)[O-])c1ccc(NC(=O)c2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000825449468 603193873 /nfs/dbraw/zinc/19/38/73/603193873.db2.gz QWKIPNKORFJOIF-NSHDSACASA-N -2 0 377.422 2.639 20 0 GFADRL O=C([O-])N1CCc2ccc(NC(=O)CSc3n[n-]c(=S)s3)cc2C1 ZINC000831552771 603491484 /nfs/dbraw/zinc/49/14/84/603491484.db2.gz MSGKYXLGJYQIEE-UHFFFAOYSA-N -2 0 382.492 2.594 20 0 GFADRL C[C@H](NC(=O)[O-])c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1 ZINC000825449211 603526378 /nfs/dbraw/zinc/52/63/78/603526378.db2.gz LTCXWKJMIOOQGX-VIFPVBQESA-N -3 0 382.369 2.653 20 0 GFADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CC[C@@H](CN(C)C(=O)[O-])C3)n2)cc1 ZINC000824463350 603570562 /nfs/dbraw/zinc/57/05/62/603570562.db2.gz HYTDLQWGVVSKLU-AWEZNQCLSA-N -2 0 386.452 2.773 20 0 GFADRL COc1ccccc1[C@@H](CNC(=O)c1ccc2[n-]c(=S)oc2c1)NC(=O)[O-] ZINC000829598677 603671357 /nfs/dbraw/zinc/67/13/57/603671357.db2.gz QKTOGZXCFIJUDD-CYBMUJFWSA-N -2 0 387.417 2.864 20 0 GFADRL CCN(Cc1ccccc1[N-]S(=O)(=O)c1cn(CC(C)C)cn1)C(=O)[O-] ZINC000827186835 604044662 /nfs/dbraw/zinc/04/46/62/604044662.db2.gz HBAODTVSCQKGSU-UHFFFAOYSA-N -2 0 380.470 2.840 20 0 GFADRL Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(C)c(N(C)C)c2)cc1NC(=O)[O-] ZINC000830230637 604268849 /nfs/dbraw/zinc/26/88/49/604268849.db2.gz OLKQGIWWRCPLKM-UHFFFAOYSA-N -2 0 391.449 2.578 20 0 GFADRL Cc1cc(S(=O)(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])cc(C(=O)[O-])c1C ZINC000830138722 604427412 /nfs/dbraw/zinc/42/74/12/604427412.db2.gz YSKPMZUMULCKDX-UHFFFAOYSA-N -2 0 390.417 2.843 20 0 GFADRL CCc1nc(-c2ccccc2[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)n[nH]1 ZINC000833677023 604538772 /nfs/dbraw/zinc/53/87/72/604538772.db2.gz ZISYLQUEADJQLC-UHFFFAOYSA-N -2 0 378.435 2.595 20 0 GFADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F ZINC000833228293 604655472 /nfs/dbraw/zinc/65/54/72/604655472.db2.gz KSAMCNJSMQTHMS-FLIBITNWSA-N -2 0 399.774 2.597 20 0 GFADRL Cc1nc(C)c(S(=O)(=O)[N-]c2ccc(OCC(=O)[O-])c(Cl)c2)s1 ZINC000832996226 604807247 /nfs/dbraw/zinc/80/72/47/604807247.db2.gz VGTSLLVCTLXJCS-UHFFFAOYSA-N -2 0 376.843 2.678 20 0 GFADRL CC(=O)N1CCCc2ccc(S(=O)(=O)[N-]c3scc(C(=O)[O-])c3C)cc21 ZINC000833393522 605125750 /nfs/dbraw/zinc/12/57/50/605125750.db2.gz MNFUALDQBVZZMX-UHFFFAOYSA-N -2 0 394.474 2.855 20 0 GFADRL Cc1c([N-]S(=O)(=O)c2c(Cl)nc3sccn32)scc1C(=O)[O-] ZINC000833741213 605126430 /nfs/dbraw/zinc/12/64/30/605126430.db2.gz BWLFSWJMKCTCMM-UHFFFAOYSA-N -2 0 377.856 2.918 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2cnc(-c3cccc(O)c3)nc2)c(C(=O)[O-])c1 ZINC000833750822 605187869 /nfs/dbraw/zinc/18/78/69/605187869.db2.gz BHHMREQPVNXHDR-UHFFFAOYSA-N -2 0 385.401 2.657 20 0 GFADRL COc1ccc([C@H](CC(=O)[O-])NC(=O)c2cccc(NC(=O)[O-])c2)cc1OC ZINC000833732039 605191426 /nfs/dbraw/zinc/19/14/26/605191426.db2.gz ILYJSPDUDMUPHK-AWEZNQCLSA-N -2 0 388.376 2.740 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2c(Cl)ccnc2Cl)c(C(=O)[O-])c1 ZINC000758164915 605199814 /nfs/dbraw/zinc/19/98/14/605199814.db2.gz VHGSKNKYPQMTEE-UHFFFAOYSA-N -2 0 377.205 2.896 20 0 GFADRL COc1ccc(NC(=O)[O-])c([N-]S(=O)(=O)c2cc(OC)cc(OC)c2)c1 ZINC000829217161 605236330 /nfs/dbraw/zinc/23/63/30/605236330.db2.gz INAYPYSODMAQFK-UHFFFAOYSA-N -2 0 382.394 2.603 20 0 GFADRL O=C([O-])N1CCO[C@H](CC(=O)Nc2cc(Cl)cc(Br)c2[O-])C1 ZINC000831387713 605385410 /nfs/dbraw/zinc/38/54/10/605385410.db2.gz OMXJBXJXPCSTTK-MRVPVSSYSA-N -2 0 393.621 2.516 20 0 GFADRL O=C([O-])NCc1ccc(C(=O)Nc2ccccc2-n2ccc(C(=O)[O-])n2)cc1 ZINC000834249011 606050774 /nfs/dbraw/zinc/05/07/74/606050774.db2.gz MJQYSYDFASMKGG-UHFFFAOYSA-N -2 0 380.360 2.590 20 0 GFADRL O=C([O-])N[C@@H]1CCC[C@H]1C(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000834174637 606062419 /nfs/dbraw/zinc/06/24/19/606062419.db2.gz XFABJRIKJQVDQI-KZNAEPCWSA-N -2 0 384.432 2.636 20 0 GFADRL O=C([O-])N[C@@H]1CCc2ncc([N-]S(=O)(=O)c3ccc(Cl)s3)cc2C1 ZINC000834194439 606080151 /nfs/dbraw/zinc/08/01/51/606080151.db2.gz RQEWLTOMAUWNHS-SECBINFHSA-N -2 0 387.870 2.722 20 0 GFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cc1O ZINC000037374358 654614469 /nfs/dbraw/zinc/61/44/69/654614469.db2.gz OFGZPWSKSRQVPV-UHFFFAOYSA-N -2 0 378.225 2.715 20 0 GFADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2cc(Br)cnc2Cl)c1 ZINC000044318195 654655989 /nfs/dbraw/zinc/65/59/89/654655989.db2.gz OIFQDOZLGJXSHD-UHFFFAOYSA-N -2 0 391.630 2.997 20 0 GFADRL CCNC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC000057724590 654809380 /nfs/dbraw/zinc/80/93/80/654809380.db2.gz KYAZDRSEIPJEHQ-UHFFFAOYSA-N -2 0 382.825 2.589 20 0 GFADRL COCCOc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000066306347 654900491 /nfs/dbraw/zinc/90/04/91/654900491.db2.gz AJQCZRFXNWGJDC-UHFFFAOYSA-N -2 0 385.825 2.864 20 0 GFADRL NC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000066813520 654916557 /nfs/dbraw/zinc/91/65/57/654916557.db2.gz DRWQWOHOVSFZSH-UHFFFAOYSA-N -2 0 389.216 2.591 20 0 GFADRL CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C(=O)[O-])s1 ZINC000067659980 654942523 /nfs/dbraw/zinc/94/25/23/654942523.db2.gz SWNGCMIWQDEIHX-JTQLQIEISA-N -2 0 382.463 2.753 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2ccccc2O[C@@H]2CCOC2)sc1C(=O)[O-] ZINC000268297969 654966129 /nfs/dbraw/zinc/96/61/29/654966129.db2.gz GJBBYIWTFLKOHI-LLVKDONJSA-N -2 0 383.447 2.723 20 0 GFADRL CCc1ccc(S(=O)(=O)[N-]c2ccc(Br)nc2)cc1C(=O)[O-] ZINC000137681492 655041458 /nfs/dbraw/zinc/04/14/58/655041458.db2.gz RCMICJBPVDHTOG-UHFFFAOYSA-N -2 0 385.239 2.906 20 0 GFADRL O=C([O-])c1cc(F)c(F)c(S(=O)(=O)[N-]c2ccc(Br)nc2)c1 ZINC000160301270 655120326 /nfs/dbraw/zinc/12/03/26/655120326.db2.gz QWIVPIUJFIAVHB-UHFFFAOYSA-N -2 0 393.165 2.621 20 0 GFADRL CC[C@H](Cc1ccc([N-]S(=O)(=O)c2c(C)nn(C)c2Cl)cc1)C(=O)[O-] ZINC000184902294 655360564 /nfs/dbraw/zinc/36/05/64/655360564.db2.gz LPGPQCQIBWRVLG-GFCCVEGCSA-N -2 0 385.873 2.836 20 0 GFADRL COc1c(F)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)cc1F ZINC000749144274 655800959 /nfs/dbraw/zinc/80/09/59/655800959.db2.gz VSYBDZDYVUFRNX-UHFFFAOYSA-N -2 0 375.324 2.920 20 0 GFADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Cl)cc1C(N)=O ZINC000753779089 655858493 /nfs/dbraw/zinc/85/84/93/655858493.db2.gz UKRDQUHARODIEQ-UHFFFAOYSA-N -2 0 382.825 2.555 20 0 GFADRL CCc1onc(C)c1[N-]S(=O)(=O)c1ccc(Br)c(C(=O)[O-])c1 ZINC000759105692 655947783 /nfs/dbraw/zinc/94/77/83/655947783.db2.gz LJMFIAIBESTCQO-UHFFFAOYSA-N -2 0 389.227 2.807 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)c1Cl ZINC000762433981 656041826 /nfs/dbraw/zinc/04/18/26/656041826.db2.gz YSCIUABLXPWUNS-UHFFFAOYSA-N -3 0 383.809 2.775 20 0 GFADRL Cc1cc(F)c(S(=O)(=O)[N-]c2ccccc2C[S@@](C)=O)cc1C(=O)[O-] ZINC000762453434 656042781 /nfs/dbraw/zinc/04/27/81/656042781.db2.gz MSSWCWPXKDDQLL-XMMPIXPASA-N -2 0 385.438 2.512 20 0 GFADRL CC(C)(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000776571864 656760771 /nfs/dbraw/zinc/76/07/71/656760771.db2.gz XTDUYYSOFLDFLW-RXMQYKEDSA-N -2 0 375.315 2.550 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c(O)c1 ZINC000785491112 657368989 /nfs/dbraw/zinc/36/89/89/657368989.db2.gz MCYIFSOMHRNACQ-UHFFFAOYSA-N -2 0 375.761 2.692 20 0 GFADRL CC(C)Cc1ncc([N-]S(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)cn1 ZINC000794595329 658574190 /nfs/dbraw/zinc/57/41/90/658574190.db2.gz WVGAXIANDHEKRH-UHFFFAOYSA-N -2 0 387.820 2.967 20 0 GFADRL CCn1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1C(F)(F)F ZINC000799128113 659166406 /nfs/dbraw/zinc/16/64/06/659166406.db2.gz MVVQSHSDUJIBGO-UHFFFAOYSA-N -2 0 381.307 2.560 20 0 GFADRL CC1(C)C[C@@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000863958335 662351161 /nfs/dbraw/zinc/35/11/61/662351161.db2.gz VDDQBMTYHRNBGD-ZDUSSCGKSA-N -2 0 399.774 2.665 20 0 GFADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@@H](C(=O)[O-])c1csc(Br)c1 ZINC000906003234 663907635 /nfs/dbraw/zinc/90/76/35/663907635.db2.gz AWIYEVJHWVQZSJ-CLZZGJSISA-N -2 0 396.206 2.507 20 0 GFADRL O=C([O-])c1cc2c(cc1NS(=O)(=O)c1cccc(Cl)c1[O-])OCCCO2 ZINC000550106246 450598963 /nfs/dbraw/zinc/59/89/63/450598963.db2.gz JMKBLIQIIQGICX-UHFFFAOYSA-N -2 0 399.808 2.706 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Br)c(Cl)c2)c[nH]1 ZINC000160369711 551579352 /nfs/dbraw/zinc/57/93/52/551579352.db2.gz IXWMXBCKOABKME-UHFFFAOYSA-N -2 0 379.619 2.930 20 0 GFADRL CS(=O)(=O)[N-]c1cc(F)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000179767142 552202626 /nfs/dbraw/zinc/20/26/26/552202626.db2.gz CDQQLOSMQSCXQT-UHFFFAOYSA-N -2 0 396.824 2.791 20 0 GFADRL Cc1cc(Br)c(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000184151484 552328695 /nfs/dbraw/zinc/32/86/95/552328695.db2.gz WFKXYVBQUDJHEG-UHFFFAOYSA-N -2 0 391.218 2.734 20 0 GFADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2cccc(OC[C@H]3CCCO3)c2)c1 ZINC000298291392 563350301 /nfs/dbraw/zinc/35/03/01/563350301.db2.gz FQIDUVCZBCUFJD-CQSZACIVSA-N -2 0 383.447 2.805 20 0 GFADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(OC[C@H]3CCCO3)cc2)c1 ZINC000298836448 563368254 /nfs/dbraw/zinc/36/82/54/563368254.db2.gz CYGDISOZZNRTKM-CQSZACIVSA-N -2 0 383.447 2.805 20 0 GFADRL Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1cc(C(=O)[O-])c(Br)cc1C ZINC000320630098 563447160 /nfs/dbraw/zinc/44/71/60/563447160.db2.gz BOJUEWZWWLYQEB-UHFFFAOYSA-N -2 0 388.243 2.596 20 0 GFADRL COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]c1cccc(Cl)c1C(=O)[O-] ZINC000327393107 563457941 /nfs/dbraw/zinc/45/79/41/563457941.db2.gz JFNMWUSOIFIIQB-UHFFFAOYSA-N -2 0 387.797 2.835 20 0 GFADRL COc1ccc(NC(C)=O)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000327468538 563458673 /nfs/dbraw/zinc/45/86/73/563458673.db2.gz YRAQQVPOHWYQRE-UHFFFAOYSA-N -2 0 384.435 2.523 20 0 GFADRL COc1cc([N-]S(=O)(=O)c2cc(F)ccc2Cl)c(C(=O)[O-])cc1OC ZINC000328332862 563461060 /nfs/dbraw/zinc/46/10/60/563461060.db2.gz PAINSOCYCCXHSM-UHFFFAOYSA-N -2 0 389.788 2.995 20 0 GFADRL COC(=O)c1c(F)cccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000438765007 563710244 /nfs/dbraw/zinc/71/02/44/563710244.db2.gz MIOWGNFTNKNOEG-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(C)c2O)cc1CC(=O)[O-] ZINC000539195491 564213163 /nfs/dbraw/zinc/21/31/63/564213163.db2.gz BXJJXHAVEHYEGX-UHFFFAOYSA-N -2 0 385.825 2.791 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2OC(F)(F)F)cn1 ZINC000507903252 564247397 /nfs/dbraw/zinc/24/73/97/564247397.db2.gz PWKDYYDMDBIZES-UHFFFAOYSA-N -2 0 376.312 2.788 20 0 GFADRL O=S(=O)([N-]c1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)c1cccs1 ZINC000540912742 564260478 /nfs/dbraw/zinc/26/04/78/564260478.db2.gz CANCQQCGUAPOAY-UHFFFAOYSA-N -2 0 395.487 2.745 20 0 GFADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)c(Cl)c1 ZINC000509635393 564306883 /nfs/dbraw/zinc/30/68/83/564306883.db2.gz HUTICZMWTBMXRV-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL Cc1nc(-c2ccccc2[N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cs1 ZINC000475832086 564321746 /nfs/dbraw/zinc/32/17/46/564321746.db2.gz LZSNFEWGPQEVHT-UHFFFAOYSA-N -2 0 377.447 2.956 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C[C@@H](C)C(=O)[O-])cc2)sc1C(=O)[O-] ZINC000543663269 564358120 /nfs/dbraw/zinc/35/81/20/564358120.db2.gz JVEZPSOTRATMTP-SNVBAGLBSA-N -3 0 383.447 2.819 20 0 GFADRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000477339898 564374313 /nfs/dbraw/zinc/37/43/13/564374313.db2.gz IMZNOWJQEIHXJU-UHFFFAOYSA-N -2 0 385.781 2.576 20 0 GFADRL O=C(Cc1ccc(Br)cc1O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1 ZINC000513583790 564433138 /nfs/dbraw/zinc/43/31/38/564433138.db2.gz LEOMNUDFYVCUQG-UHFFFAOYSA-N -2 0 389.209 2.827 20 0 GFADRL Cc1c(Cl)cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2F)cc1C(=O)[O-] ZINC000479254304 564433773 /nfs/dbraw/zinc/43/37/73/564433773.db2.gz SYJSYODYJMTQBE-UHFFFAOYSA-N -2 0 387.772 2.985 20 0 GFADRL CC(C)(C)[C@H]([N-]S(=O)(=O)c1cc(F)c(Br)cc1F)C(=O)[O-] ZINC000547583133 564497809 /nfs/dbraw/zinc/49/78/09/564497809.db2.gz XKYQTKXUZOPNDR-SNVBAGLBSA-N -2 0 386.214 2.505 20 0 GFADRL CC[C@H](C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])CC(=O)[O-] ZINC000547613551 564503448 /nfs/dbraw/zinc/50/34/48/564503448.db2.gz FGGCDJZWZKTXPM-ZETCQYMHSA-N -2 0 385.225 2.681 20 0 GFADRL COc1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)c(Cl)cc1C(=O)[O-] ZINC000485271938 564611438 /nfs/dbraw/zinc/61/14/38/564611438.db2.gz IAMUARKKABNLCQ-UHFFFAOYSA-N -3 0 385.781 2.546 20 0 GFADRL Cc1cc(Br)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)c1 ZINC000486104159 564639162 /nfs/dbraw/zinc/63/91/62/564639162.db2.gz ARDCAQHXEPLTMR-UHFFFAOYSA-N -2 0 386.223 2.962 20 0 GFADRL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1cccc2[nH]c(=O)oc21 ZINC000573790376 564654031 /nfs/dbraw/zinc/65/40/31/564654031.db2.gz CLYKVGJMSLUMEK-UHFFFAOYSA-N -2 0 382.781 2.994 20 0 GFADRL CC(C)c1nc(S(=O)(=O)[N-]c2ccc(S[C@@H](C)C(=O)[O-])cc2)cn1C ZINC000576800427 564720057 /nfs/dbraw/zinc/72/00/57/564720057.db2.gz WBNFQSQAZHRTRG-NSHDSACASA-N -2 0 383.495 2.910 20 0 GFADRL Cc1ncsc1[C@@H](NS(=O)(=O)c1oc2ccc(F)cc2c1C)C(=O)[O-] ZINC000530338125 564876853 /nfs/dbraw/zinc/87/68/53/564876853.db2.gz WBYNRUUPHBYRMF-GFCCVEGCSA-N -2 0 384.410 2.749 20 0 GFADRL O=C([O-])CSCCNS(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000530338330 564876978 /nfs/dbraw/zinc/87/69/78/564876978.db2.gz DOEPBGYORTYLMZ-UHFFFAOYSA-N -2 0 393.914 2.615 20 0 GFADRL Cc1noc(C2CC2)c1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000463792066 564891032 /nfs/dbraw/zinc/89/10/32/564891032.db2.gz XXBOARKWJZXLHQ-UHFFFAOYSA-N -2 0 386.813 2.778 20 0 GFADRL O=S(=O)(CCOCC1CC1)[N-]c1cc(Br)cc(Cl)c1[O-] ZINC000584047525 564917837 /nfs/dbraw/zinc/91/78/37/564917837.db2.gz LUOBJKZQYHSQRV-UHFFFAOYSA-N -2 0 384.679 2.976 20 0 GFADRL O=C([O-])[C@H](CCc1ccc(F)cc1)NS(=O)(=O)c1c(F)cccc1Cl ZINC000560076345 564948636 /nfs/dbraw/zinc/94/86/36/564948636.db2.gz CXFPQNIUYJTMRR-AWEZNQCLSA-N -2 0 389.807 2.983 20 0 GFADRL COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(F)c1 ZINC000533166456 564956238 /nfs/dbraw/zinc/95/62/38/564956238.db2.gz JGSOZVCFVBKBEX-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL Cc1csc(-c2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])n(C)c3)c2)n1 ZINC000588077709 565125272 /nfs/dbraw/zinc/12/52/72/565125272.db2.gz OPPCFRRBRWVGIZ-UHFFFAOYSA-N -2 0 377.447 2.956 20 0 GFADRL COc1ccc([C@H]([N-]S(=O)(=O)CCCCCC(=O)[O-])C(F)(F)F)cc1 ZINC000645988394 565580596 /nfs/dbraw/zinc/58/05/96/565580596.db2.gz AWRDZOSQCPYUMR-AWEZNQCLSA-N -2 0 383.388 2.863 20 0 GFADRL CCN(C)C(=O)c1cccc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c1 ZINC000673488011 565837893 /nfs/dbraw/zinc/83/78/93/565837893.db2.gz SODVGKCDVGEYEZ-UHFFFAOYSA-N -2 0 382.463 2.647 20 0 GFADRL COc1cc(S(=O)(=O)[N-]c2cc(C(C)(C)C)[nH]n2)c(Cl)cc1C(=O)[O-] ZINC000675549914 565909288 /nfs/dbraw/zinc/90/92/88/565909288.db2.gz XBAVEUKNGWNHID-UHFFFAOYSA-N -2 0 387.845 2.868 20 0 GFADRL O=C([O-])C1CCN(C(=O)c2nn(-c3ccccc3C(F)(F)F)cc2[O-])CC1 ZINC000740480302 596934672 /nfs/dbraw/zinc/93/46/72/596934672.db2.gz DWRHMTOCIXNMKS-UHFFFAOYSA-N -2 0 383.326 2.534 20 0 GFADRL Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)N(C)[C@H](C)C(=O)[O-])c1 ZINC000262722062 597462052 /nfs/dbraw/zinc/46/20/52/597462052.db2.gz AVPZZFWLQNJQFB-CQSZACIVSA-N -2 0 390.461 2.649 20 0 GFADRL Cc1cc(N2CCSCC2)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000738405326 599739959 /nfs/dbraw/zinc/73/99/59/599739959.db2.gz HRUPXQITZSJFKY-UHFFFAOYSA-N -2 0 382.463 2.640 20 0 GFADRL Cc1c[nH]c(=O)n1-c1ccccc1[N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)[O-] ZINC000738969634 599801845 /nfs/dbraw/zinc/80/18/45/599801845.db2.gz NTXHODYUCNOKCC-UHFFFAOYSA-N -2 0 391.405 2.595 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2)c(C(=O)[O-])s1 ZINC000737681921 599816041 /nfs/dbraw/zinc/81/60/41/599816041.db2.gz WLBBKESDTKGURQ-UHFFFAOYSA-N -2 0 399.446 2.821 20 0 GFADRL COc1ccc(C(=O)[O-])c(NS(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)c1 ZINC000511689382 600006248 /nfs/dbraw/zinc/00/62/48/600006248.db2.gz WHQYZIIOICHOCN-UHFFFAOYSA-N -2 0 379.390 2.509 20 0 GFADRL O=C([O-])[C@@H]1CCCN(C(=O)c2nn(-c3ccccc3C(F)(F)F)cc2[O-])C1 ZINC000739583420 600037146 /nfs/dbraw/zinc/03/71/46/600037146.db2.gz FLAFTHXNTMQMRD-SNVBAGLBSA-N -2 0 383.326 2.534 20 0 GFADRL CC(C)CCOc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)[O-])cs2)cc1 ZINC000736431879 600053138 /nfs/dbraw/zinc/05/31/38/600053138.db2.gz INRPCNQLZIFPHP-UHFFFAOYSA-N -2 0 384.479 2.996 20 0 GFADRL CC(C)COc1ccc(CC(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC000736446546 600121814 /nfs/dbraw/zinc/12/18/14/600121814.db2.gz VQYYHEVCJPIAQX-UHFFFAOYSA-N -2 0 397.474 2.529 20 0 GFADRL Cc1nn(C)c([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])c1C ZINC000738919355 600126957 /nfs/dbraw/zinc/12/69/57/600126957.db2.gz VVQCBPQFVDAGRR-UHFFFAOYSA-N -2 0 377.344 2.555 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccn2)c(Br)cc1Cl ZINC000740089193 600179637 /nfs/dbraw/zinc/17/96/37/600179637.db2.gz AALHJZIVRIGFEC-UHFFFAOYSA-N -2 0 391.630 2.997 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2C(=O)[O-])c(F)cc1F ZINC000732046985 600231684 /nfs/dbraw/zinc/23/16/84/600231684.db2.gz UKKSBNDUENVCRU-UHFFFAOYSA-N -2 0 385.344 2.559 20 0 GFADRL CCn1cnnc1-c1ccccc1[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000737302336 600232163 /nfs/dbraw/zinc/23/21/63/600232163.db2.gz BSWNFULKZDHMOT-UHFFFAOYSA-N -2 0 378.435 2.526 20 0 GFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2c[nH]c3ncccc23)c(OC(F)F)c1 ZINC000740155784 600237765 /nfs/dbraw/zinc/23/77/65/600237765.db2.gz SFYKBPAAZVSINP-UHFFFAOYSA-N -2 0 383.332 2.663 20 0 GFADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc3oc(CC(C)(C)C)nc3c2)c1C(=O)[O-] ZINC000738337100 600423983 /nfs/dbraw/zinc/42/39/83/600423983.db2.gz GNXUFNHHXAITHV-UHFFFAOYSA-N -2 0 392.437 2.947 20 0 GFADRL COc1ccc(-c2cc3[n-]c(CN4CCC[C@H]4C(=O)[O-])nc(=O)c3s2)cc1 ZINC000737910181 600436837 /nfs/dbraw/zinc/43/68/37/600436837.db2.gz VNKJWLQSOCZJHP-AWEZNQCLSA-N -2 0 385.445 2.709 20 0 GFADRL C[C@H](CC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000736549562 600511098 /nfs/dbraw/zinc/51/10/98/600511098.db2.gz WZFAFGFCJZYJSU-SNVBAGLBSA-N -2 0 381.372 2.510 20 0 GFADRL CCOC(=O)c1sc([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])cc1C ZINC000737157666 600512738 /nfs/dbraw/zinc/51/27/38/600512738.db2.gz TZWIZFMDHHIEOA-UHFFFAOYSA-N -2 0 387.435 2.942 20 0 GFADRL COc1ccc(OC(C)C)c([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1 ZINC000267218528 600629077 /nfs/dbraw/zinc/62/90/77/600629077.db2.gz UDHUHYIQURLYGT-UHFFFAOYSA-N -2 0 379.434 2.910 20 0 GFADRL COC(=O)c1cc(Cl)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000736064966 600637944 /nfs/dbraw/zinc/63/79/44/600637944.db2.gz ZRKDFUMRBHCQAF-UHFFFAOYSA-N -2 0 375.811 2.687 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2cc(Cl)cc(C(=O)[O-])c2)sc1C(=O)[O-] ZINC000738477077 600638006 /nfs/dbraw/zinc/63/80/06/600638006.db2.gz INNFDYKAWKYXGW-UHFFFAOYSA-N -3 0 375.811 2.907 20 0 GFADRL CC(C)[C@@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000736358320 600657819 /nfs/dbraw/zinc/65/78/19/600657819.db2.gz IWULNEDRCDAQMT-CYBMUJFWSA-N -2 0 381.475 2.766 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)n2)cc1C(=O)[O-] ZINC000738069575 600659296 /nfs/dbraw/zinc/65/92/96/600659296.db2.gz LYOPXVYQIRFHAT-UHFFFAOYSA-N -2 0 376.312 2.608 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCCCC2)cs1 ZINC000298860390 600671922 /nfs/dbraw/zinc/67/19/22/600671922.db2.gz OYXVHFLOWSXSNM-UHFFFAOYSA-N -2 0 394.474 2.873 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3nc(N4CCCC4)sc3c2)c[nH]1 ZINC000299573045 600672902 /nfs/dbraw/zinc/67/29/02/600672902.db2.gz BRIWAJGAKCGVNT-UHFFFAOYSA-N -2 0 392.462 2.724 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2NC(=O)N2CCCC2)cs1 ZINC000298856485 600675215 /nfs/dbraw/zinc/67/52/15/600675215.db2.gz NNGBFFFKNKGDMO-UHFFFAOYSA-N -2 0 395.462 2.875 20 0 GFADRL O=C([O-])NCc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000833280628 600684240 /nfs/dbraw/zinc/68/42/40/600684240.db2.gz NNNAGWHUHOKNJI-UHFFFAOYSA-N -2 0 384.797 2.607 20 0 GFADRL CC(C)(C(=O)[O-])c1ccc(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc1 ZINC000265791721 600898839 /nfs/dbraw/zinc/89/88/39/600898839.db2.gz UQWVIVSQQNZRRK-UHFFFAOYSA-N -2 0 391.445 2.867 20 0 GFADRL Cc1cccc2c(CCC(=O)[N-]S(=O)(=O)c3ccsc3C(=O)[O-])c[nH]c21 ZINC000832976429 600938366 /nfs/dbraw/zinc/93/83/66/600938366.db2.gz WAJURYNCCNJNNN-UHFFFAOYSA-N -2 0 392.458 2.674 20 0 GFADRL Cc1cccc2c(CCC(=O)[N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)c[nH]c21 ZINC000832976005 600945229 /nfs/dbraw/zinc/94/52/29/600945229.db2.gz GPJRHWICBALJIS-UHFFFAOYSA-N -2 0 386.429 2.612 20 0 GFADRL O=C([O-])C[C@@H]1CN(S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)c2ccccc21 ZINC000739654891 601049464 /nfs/dbraw/zinc/04/94/64/601049464.db2.gz ZGQCACVEHKRCMS-LLVKDONJSA-N -2 0 395.820 2.805 20 0 GFADRL O=C([O-])NCc1ccc([N-]S(=O)(=O)c2cnn(-c3ccccc3F)c2)cc1 ZINC000740000905 601050627 /nfs/dbraw/zinc/05/06/27/601050627.db2.gz IUKBOTFOZAQZGU-UHFFFAOYSA-N -2 0 390.396 2.580 20 0 GFADRL Cc1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2O)c1C(=O)[O-] ZINC000738743212 601116879 /nfs/dbraw/zinc/11/68/79/601116879.db2.gz AQRUTJQJMBFRLP-UHFFFAOYSA-N -2 0 386.223 2.962 20 0 GFADRL CCOc1ccc([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2OC)cc1OC ZINC000830085456 601149770 /nfs/dbraw/zinc/14/97/70/601149770.db2.gz XRQSKRNNKXRJOG-UHFFFAOYSA-N -2 0 387.435 2.663 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cnc2c(cnn2C(C)C)c1 ZINC000831950401 601203156 /nfs/dbraw/zinc/20/31/56/601203156.db2.gz STHKLVQZPSLPFH-UHFFFAOYSA-N -2 0 396.450 2.581 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1c(C)cc(C)cc1C(=O)[O-] ZINC000831939634 601204020 /nfs/dbraw/zinc/20/40/20/601204020.db2.gz RJMAROPPBBOXPR-UHFFFAOYSA-N -3 0 385.419 2.571 20 0 GFADRL CCOCCOCc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)c1C ZINC000830017592 601234746 /nfs/dbraw/zinc/23/47/46/601234746.db2.gz RIGYJVLLMRNHJS-UHFFFAOYSA-N -2 0 397.449 2.949 20 0 GFADRL O=C([O-])[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000833183213 601235861 /nfs/dbraw/zinc/23/58/61/601235861.db2.gz BMMRQHGLCSMHSI-BDAKNGLRSA-N -2 0 380.249 2.689 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCCC2)ccc1F ZINC000013262232 601318882 /nfs/dbraw/zinc/31/88/82/601318882.db2.gz RHRPANISYNSFIQ-UHFFFAOYSA-N -2 0 392.408 2.561 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)OC(F)(F)O2 ZINC000013032183 601319255 /nfs/dbraw/zinc/31/92/55/601319255.db2.gz XHGIOFNPTGXHNM-UHFFFAOYSA-N -2 0 387.316 2.516 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2c3ccccc3oc2C(N)=O)c1C ZINC000069902160 601320237 /nfs/dbraw/zinc/32/02/37/601320237.db2.gz CVAKUGMTOKJFNJ-UHFFFAOYSA-N -2 0 388.401 2.648 20 0 GFADRL Cc1c[nH]c(=O)n1-c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000363623618 601328464 /nfs/dbraw/zinc/32/84/64/601328464.db2.gz OZCJONMFAKYVED-UHFFFAOYSA-N -2 0 391.380 2.524 20 0 GFADRL COC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)[O-])c2)c1 ZINC000831440256 601329321 /nfs/dbraw/zinc/32/93/21/601329321.db2.gz VWNVJNIOXSNEEL-UHFFFAOYSA-N -2 0 398.368 2.512 20 0 GFADRL COCCOc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000831774058 601329390 /nfs/dbraw/zinc/32/93/90/601329390.db2.gz LSUPVNBOHDAXRI-RUDMXATFSA-N -2 0 395.408 2.750 20 0 GFADRL COc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)ccc1Br ZINC000168855441 601333506 /nfs/dbraw/zinc/33/35/06/601333506.db2.gz ASSVTMXMOQJTOA-UHFFFAOYSA-N -2 0 376.184 2.550 20 0 GFADRL CN1CCOc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3Cl)cc21 ZINC000830965670 601362774 /nfs/dbraw/zinc/36/27/74/601362774.db2.gz SXEXBVFDLUZMNG-UHFFFAOYSA-N -2 0 382.825 2.668 20 0 GFADRL O=C([O-])C[C@@H](NC(=O)c1nn(-c2ccc(F)cc2F)cc1[O-])c1cccs1 ZINC000833199792 601387147 /nfs/dbraw/zinc/38/71/47/601387147.db2.gz FCJQOSAXHWNGCR-LLVKDONJSA-N -2 0 393.371 2.863 20 0 GFADRL C/C(=C\COC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1)C(=O)[O-] ZINC000825780858 601418113 /nfs/dbraw/zinc/41/81/13/601418113.db2.gz JYPYCXFUZOTWRB-YRNVUSSQSA-N -2 0 381.431 2.737 20 0 GFADRL Cc1cc(Br)ncc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000832859553 601474555 /nfs/dbraw/zinc/47/45/55/601474555.db2.gz SREFKUUYEMVXRP-UHFFFAOYSA-N -2 0 385.239 2.960 20 0 GFADRL CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(CSCC(=O)[O-])c2)o1 ZINC000829885407 601474837 /nfs/dbraw/zinc/47/48/37/601474837.db2.gz MHEWMCWFHOTUHT-UHFFFAOYSA-N -2 0 399.446 2.575 20 0 GFADRL Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3csnc3C(=O)[O-])cc2)nn1 ZINC000832953244 601485241 /nfs/dbraw/zinc/48/52/41/601485241.db2.gz DNUJDAFMNMFIIB-UHFFFAOYSA-N -2 0 392.418 2.533 20 0 GFADRL O=C([O-])c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c(F)c1 ZINC000749144678 601485806 /nfs/dbraw/zinc/48/58/06/601485806.db2.gz SPIVJCHJOPTQJB-UHFFFAOYSA-N -2 0 391.735 2.815 20 0 GFADRL C[C@H]1CC/C(=C/C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000828201725 601546370 /nfs/dbraw/zinc/54/63/70/601546370.db2.gz VJRHAPGRFLXXFQ-QFQXNISHSA-N -2 0 391.367 2.955 20 0 GFADRL COC(=O)c1cc([N-]S(=O)(=O)c2cc3ccccc3o2)ccc1C(=O)[O-] ZINC000831328712 601557597 /nfs/dbraw/zinc/55/75/97/601557597.db2.gz XESJRHNPIPRFKQ-UHFFFAOYSA-N -2 0 375.358 2.718 20 0 GFADRL O=C([O-])C[C@@H](NC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-])C1CC1 ZINC000833200593 601563852 /nfs/dbraw/zinc/56/38/52/601563852.db2.gz VMPHPRWRXQHEQL-LLVKDONJSA-N -2 0 383.326 2.580 20 0 GFADRL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1cc(Br)ccc1O ZINC000833318123 601575408 /nfs/dbraw/zinc/57/54/08/601575408.db2.gz GLBIXCWZZRAKPS-UHFFFAOYSA-N -2 0 390.186 2.793 20 0 GFADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ncc(Cc2ccccc2F)s1 ZINC000833345876 601767866 /nfs/dbraw/zinc/76/78/66/601767866.db2.gz HJXYNWXHNCMHJZ-UHFFFAOYSA-N -2 0 399.450 2.829 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2ccccc2-c2nncn2C(C)C)cc1C(=O)[O-] ZINC000833030374 601795636 /nfs/dbraw/zinc/79/56/36/601795636.db2.gz ULICACVFGZFGPV-UHFFFAOYSA-N -2 0 390.421 2.926 20 0 GFADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000743264188 601830119 /nfs/dbraw/zinc/83/01/19/601830119.db2.gz SJZOPHQSYKLIFJ-UHFFFAOYSA-N -3 0 385.781 2.546 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)sc1C(=O)[O-] ZINC000832899011 601832572 /nfs/dbraw/zinc/83/25/72/601832572.db2.gz APAAVJHRXKPOOX-UHFFFAOYSA-N -2 0 380.447 2.785 20 0 GFADRL O=C([O-])c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)ccc1F ZINC000746350570 601833341 /nfs/dbraw/zinc/83/33/41/601833341.db2.gz IWIRNVFAONBAHD-UHFFFAOYSA-N -3 0 391.735 2.815 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(NC(=O)C3CC3)nc2)ccc1Cl ZINC000833305915 601844198 /nfs/dbraw/zinc/84/41/98/601844198.db2.gz YBAJTLYFACZECC-UHFFFAOYSA-N -2 0 395.824 2.583 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])n(Cc2ccccc2)n1 ZINC000832899952 601847596 /nfs/dbraw/zinc/84/75/96/601847596.db2.gz WAUQOMWDYTWZJS-UHFFFAOYSA-N -2 0 389.408 2.878 20 0 GFADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)C2(Cc3ccccc3)CCC2)cc1 ZINC000833314198 601982453 /nfs/dbraw/zinc/98/24/53/601982453.db2.gz DORAAMUKPIDUAJ-UHFFFAOYSA-N -2 0 387.457 2.744 20 0 GFADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000832852792 601985110 /nfs/dbraw/zinc/98/51/10/601985110.db2.gz KTEXBTCCAZXTQP-UHFFFAOYSA-N -2 0 378.406 2.604 20 0 GFADRL COc1ccc(C(=O)[O-])c(NS(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)c1 ZINC000471136219 602114037 /nfs/dbraw/zinc/11/40/37/602114037.db2.gz JCVBWFIDLQFXLE-UHFFFAOYSA-N -2 0 379.390 2.509 20 0 GFADRL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1cc(-c2cccc(F)c2F)[nH]n1 ZINC000833293886 602119701 /nfs/dbraw/zinc/11/97/01/602119701.db2.gz CRAYTNPXXDUWSG-UHFFFAOYSA-N -2 0 397.334 2.993 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCN3C(=O)[O-])sc1C(=O)[O-] ZINC000740093549 602245657 /nfs/dbraw/zinc/24/56/57/602245657.db2.gz LNXVTZHZGVJECN-UHFFFAOYSA-N -3 0 382.419 2.596 20 0 GFADRL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2nnc(-c3ccccn3)s2)c1 ZINC000833297672 602307409 /nfs/dbraw/zinc/30/74/09/602307409.db2.gz RCOOULDDYKVCDN-UHFFFAOYSA-N -2 0 396.837 2.753 20 0 GFADRL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1cc(CCc2ccccc2)[nH]n1 ZINC000833318200 602308600 /nfs/dbraw/zinc/30/86/00/602308600.db2.gz JDVUCQKVYOINIM-UHFFFAOYSA-N -2 0 389.408 2.833 20 0 GFADRL O=C([O-])CCOc1ccc(S(=O)(=O)[N-]c2cc(C3CCCC3)[nH]n2)cc1 ZINC000833239525 602308766 /nfs/dbraw/zinc/30/87/66/602308766.db2.gz RQNJKLICYDZBEG-UHFFFAOYSA-N -2 0 379.438 2.722 20 0 GFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cnn(-c3ccccc3F)c2)cc1F ZINC000532844449 602321972 /nfs/dbraw/zinc/32/19/72/602321972.db2.gz OHLLHKIXUYYLET-UHFFFAOYSA-N -2 0 379.344 2.650 20 0 GFADRL O=C([O-])NC[C@H](NC(=O)c1ccc2c(=O)[nH]c(=S)[n-]c2c1)C1CCCCC1 ZINC000740611812 602595010 /nfs/dbraw/zinc/59/50/10/602595010.db2.gz LAFRYWRQHJFFKN-AWEZNQCLSA-N -2 0 390.465 2.570 20 0 GFADRL COc1cc(F)c(S(=O)(=O)[N-]c2ccccc2CN(C)C(=O)[O-])c(F)c1 ZINC000739866777 602654671 /nfs/dbraw/zinc/65/46/71/602654671.db2.gz MFEATRLYALQRBJ-UHFFFAOYSA-N -2 0 386.376 2.884 20 0 GFADRL O=C([O-])N[C@H](CCC(=O)[N-]S(=O)(=O)c1ccc(F)c(F)c1)c1ccccc1 ZINC000740538444 602670000 /nfs/dbraw/zinc/67/00/00/602670000.db2.gz DLXBRSAJVHZLPH-OAHLLOKOSA-N -2 0 398.387 2.559 20 0 GFADRL Cc1ccc(S(=O)(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)cc1C(=O)[O-] ZINC000830420827 603401500 /nfs/dbraw/zinc/40/15/00/603401500.db2.gz DYVZIXTYRLUELI-LLVKDONJSA-N -2 0 378.406 2.823 20 0 GFADRL CCn1cnc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2NC(=O)[O-])c1 ZINC000827707581 603631476 /nfs/dbraw/zinc/63/14/76/603631476.db2.gz UIBAOBZWFYTUQF-UHFFFAOYSA-N -2 0 378.332 2.813 20 0 GFADRL CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3c2CCN3C(=O)[O-])c(F)c1 ZINC000823612290 604013524 /nfs/dbraw/zinc/01/35/24/604013524.db2.gz ZAUADSTXFMBJTD-UHFFFAOYSA-N -2 0 393.396 2.625 20 0 GFADRL C[C@@H](CC(=O)[N-]S(=O)(=O)c1cccc(Cl)c1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824678644 604394078 /nfs/dbraw/zinc/39/40/78/604394078.db2.gz DMDWAYKILHRHLY-RYUDHWBXSA-N -2 0 388.873 2.561 20 0 GFADRL C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824680289 604394296 /nfs/dbraw/zinc/39/42/96/604394296.db2.gz TXAYVAHBHCQJDE-RYUDHWBXSA-N -2 0 388.873 2.561 20 0 GFADRL Cn1cc(S(=O)(=O)[N-]c2ccc(F)cc2OC2CCCC2)cc1C(=O)[O-] ZINC000769832791 604398761 /nfs/dbraw/zinc/39/87/61/604398761.db2.gz ACBXTNVFJGOCQT-UHFFFAOYSA-N -2 0 382.413 2.985 20 0 GFADRL C[C@H](CC(=O)[N-]S(=O)(=O)[C@H](C)c1ccccc1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824678940 604416965 /nfs/dbraw/zinc/41/69/65/604416965.db2.gz GYROKDSWUJXRNK-FMKPAKJESA-N -2 0 382.482 2.610 20 0 GFADRL CC(C)[C@H](C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-])c1ccc(F)cc1 ZINC000833464667 604604605 /nfs/dbraw/zinc/60/46/05/604604605.db2.gz BBQBQVDRGGKBLI-ZDUSSCGKSA-N -2 0 385.438 2.830 20 0 GFADRL Cc1cc(Br)cnc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000163779271 604620825 /nfs/dbraw/zinc/62/08/25/604620825.db2.gz KFZWZFPSUKCOFI-UHFFFAOYSA-N -2 0 377.241 2.713 20 0 GFADRL CC(C)COC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)c1 ZINC000833489995 604687186 /nfs/dbraw/zinc/68/71/86/604687186.db2.gz MNQJVMOEPNRPIX-UHFFFAOYSA-N -2 0 393.421 2.785 20 0 GFADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@H](C(=O)[O-])c2ccccc21 ZINC000656643290 604746550 /nfs/dbraw/zinc/74/65/50/604746550.db2.gz ASADKBOGXOIIGK-HNNXBMFYSA-N -2 0 389.429 2.714 20 0 GFADRL CC(C)n1ncc2cc(S(=O)(=O)[N-]c3cccc(C(=O)[O-])c3O)ccc21 ZINC000436994917 604769811 /nfs/dbraw/zinc/76/98/11/604769811.db2.gz OYECDOSLMPGOCE-UHFFFAOYSA-N -2 0 375.406 2.822 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)n(C2CCOCC2)n1 ZINC000832898913 604798848 /nfs/dbraw/zinc/79/88/48/604798848.db2.gz YJPLAFBJZZRRHV-UHFFFAOYSA-N -2 0 393.465 2.659 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(SC(F)F)nc1 ZINC000832204277 604800891 /nfs/dbraw/zinc/80/08/91/604800891.db2.gz XKULPKHIAAEKRY-UHFFFAOYSA-N -2 0 390.389 2.904 20 0 GFADRL Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)c2C)o1 ZINC000135407099 604808164 /nfs/dbraw/zinc/80/81/64/604808164.db2.gz VIXVIJPYVDVALS-UHFFFAOYSA-N -2 0 379.369 2.925 20 0 GFADRL CCCN(C(=O)c1ccccc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1)C(C)C ZINC000269336112 604808231 /nfs/dbraw/zinc/80/82/31/604808231.db2.gz JJYQKKAALKKLSL-UHFFFAOYSA-N -2 0 393.465 2.774 20 0 GFADRL CCOc1cc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2OC)ccc1C ZINC000833660097 604861123 /nfs/dbraw/zinc/86/11/23/604861123.db2.gz DNOFGAILYFVQGI-UHFFFAOYSA-N -2 0 395.433 2.910 20 0 GFADRL O=C([O-])CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2)cc1 ZINC000833774874 604944321 /nfs/dbraw/zinc/94/43/21/604944321.db2.gz KMOSYWLCLUIFFP-UHFFFAOYSA-N -2 0 390.339 2.755 20 0 GFADRL NC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000833762742 604991771 /nfs/dbraw/zinc/99/17/71/604991771.db2.gz ULXIKNQVNNYRKR-UHFFFAOYSA-N -2 0 389.216 2.591 20 0 GFADRL CC(C)CCSCC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000833484825 605118924 /nfs/dbraw/zinc/11/89/24/605118924.db2.gz WXVSVVOTJRCNPQ-UHFFFAOYSA-N -2 0 379.887 2.622 20 0 GFADRL C[C@H]1CN(c2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])co3)cc2F)C[C@H](C)O1 ZINC000833635475 605185531 /nfs/dbraw/zinc/18/55/31/605185531.db2.gz UFPQFOOCHLYKIO-QWRGUYRKSA-N -2 0 398.412 2.531 20 0 GFADRL C[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000833602121 605188119 /nfs/dbraw/zinc/18/81/19/605188119.db2.gz PIADTGQWAZYZCV-IUCAKERBSA-N -2 0 379.356 2.645 20 0 GFADRL CCc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3cc(C(=O)[O-])co3)c2)n1 ZINC000833678578 605188177 /nfs/dbraw/zinc/18/81/77/605188177.db2.gz HNVWECUOZBUQLH-UHFFFAOYSA-N -2 0 377.378 2.699 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2cnc(Br)c(C)c2)cc1C(=O)[O-] ZINC000181178575 605262430 /nfs/dbraw/zinc/26/24/30/605262430.db2.gz YSRCKTKHFVVVSH-UHFFFAOYSA-N -2 0 385.239 2.960 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2cnc(Br)c(C)c2)c(C(=O)[O-])c1 ZINC000833751241 605264172 /nfs/dbraw/zinc/26/41/72/605264172.db2.gz RWSCHHKCNUAMSI-UHFFFAOYSA-N -2 0 385.239 2.960 20 0 GFADRL O=C([O-])N[C@@H](CCC(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-])c1ccccc1 ZINC000834138056 606053491 /nfs/dbraw/zinc/05/34/91/606053491.db2.gz ROGGVWPDFJNJMD-PKOBYXMFSA-N -2 0 382.416 2.986 20 0 GFADRL O=C([O-])Cn1ccc2cc(NC(=O)[C@H](CNC(=O)[O-])c3ccccc3)ccc21 ZINC000834069715 606059672 /nfs/dbraw/zinc/05/96/72/606059672.db2.gz WYICRSLLMHLDLF-MRXNPFEDSA-N -2 0 381.388 2.716 20 0 GFADRL O=C([O-])Nc1ccccc1CC(=O)[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000834274770 606092532 /nfs/dbraw/zinc/09/25/32/606092532.db2.gz QAPWWVIAZKFCFB-UHFFFAOYSA-N -2 0 386.429 2.752 20 0 GFADRL COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])c1 ZINC000032596938 654606028 /nfs/dbraw/zinc/60/60/28/654606028.db2.gz RBHHKNYPQRFJOB-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL O=C([O-])c1cc(F)c(F)c(S(=O)(=O)[N-]c2cc(-c3cccs3)[nH]n2)c1 ZINC000160274052 655120219 /nfs/dbraw/zinc/12/02/19/655120219.db2.gz JXWLXJLCSQDVJY-UHFFFAOYSA-N -2 0 385.373 2.915 20 0 GFADRL COC(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000326922996 655385493 /nfs/dbraw/zinc/38/54/93/655385493.db2.gz SEKPVQNAJGUPKH-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2c(O)cccc2F)c(Br)s1 ZINC000743261306 655727511 /nfs/dbraw/zinc/72/75/11/655727511.db2.gz RKGGMCNDXQTJCC-UHFFFAOYSA-N -2 0 396.215 2.854 20 0 GFADRL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000761964368 656026932 /nfs/dbraw/zinc/02/69/32/656026932.db2.gz FLGMOBHSXBCDFW-UHFFFAOYSA-N -2 0 388.804 2.701 20 0 GFADRL O=C([O-])c1ccc(F)c(NS(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)c1 ZINC000767734246 656217677 /nfs/dbraw/zinc/21/76/77/656217677.db2.gz AKYAAUVRGXJFRY-UHFFFAOYSA-N -2 0 391.735 2.815 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)c(C(=O)[O-])c2)o1 ZINC000773233579 656405049 /nfs/dbraw/zinc/40/50/49/656405049.db2.gz RTHIBZXNRHLYLM-UHFFFAOYSA-N -2 0 382.463 2.640 20 0 GFADRL CC(C)(C)CC[C@H]([N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)[O-] ZINC000776618407 656768968 /nfs/dbraw/zinc/76/89/68/656768968.db2.gz ZWPYQVZWMXQTGO-LURJTMIESA-N -2 0 389.342 2.940 20 0 GFADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccccc2[C@H](O)C(F)(F)F)c1 ZINC000777744055 656833557 /nfs/dbraw/zinc/83/35/57/656833557.db2.gz KLMAAFNFILTQJE-NSHDSACASA-N -2 0 381.353 2.843 20 0 GFADRL CCOc1ncccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)c(Cl)c1F ZINC000779829529 656946521 /nfs/dbraw/zinc/94/65/21/656946521.db2.gz XLMOEMGEDFFTKR-UHFFFAOYSA-N -2 0 392.767 2.911 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)c(Cl)c2F)cn1 ZINC000779830458 656946556 /nfs/dbraw/zinc/94/65/56/656946556.db2.gz SVJSSFKXBMWWCM-UHFFFAOYSA-N -2 0 378.740 2.521 20 0 GFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2cc(F)ccc2O)cc1C(=O)[O-] ZINC000790392992 657967166 /nfs/dbraw/zinc/96/71/66/657967166.db2.gz DTHJRUSOFZPYQP-UHFFFAOYSA-N -2 0 375.761 2.692 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc3[nH]c(=O)[nH]c32)c1Cl ZINC000811717412 660014679 /nfs/dbraw/zinc/01/46/79/660014679.db2.gz IUDVGLLZVJLAIB-UHFFFAOYSA-N -2 0 381.797 2.729 20 0 GFADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)/C=C/c2ccsc2C(F)(F)F)C1 ZINC000910184035 664198248 /nfs/dbraw/zinc/19/82/48/664198248.db2.gz PLSKVCNIRFWYPR-QWZJGYIASA-N -2 0 377.340 2.557 20 0 GFADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cccc(SC(F)(F)F)c2)C1 ZINC000910182122 664198266 /nfs/dbraw/zinc/19/82/66/664198266.db2.gz IEIPJLTUTRQBOB-KOLCDFICSA-N -2 0 377.340 2.689 20 0 GFADRL O=C([O-])CCC(=O)c1cccc(NS(=O)(=O)c2cccc(Cl)c2[O-])c1 ZINC000436475602 450599189 /nfs/dbraw/zinc/59/91/89/450599189.db2.gz GYJXVCUEURMFIF-UHFFFAOYSA-N -2 0 383.809 2.894 20 0 GFADRL Cc1cc(Br)ccc1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000151513594 551415596 /nfs/dbraw/zinc/41/55/96/551415596.db2.gz REZNBYNPVGDLMC-UHFFFAOYSA-N -2 0 389.209 2.655 20 0 GFADRL CS(=O)(=O)[N-]c1cc(F)ccc1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000179767442 552202644 /nfs/dbraw/zinc/20/26/44/552202644.db2.gz BZMOQZGNMGZWDQ-UHFFFAOYSA-N -2 0 396.824 2.791 20 0 GFADRL Cc1ccc(NC(=O)C2CC2)cc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000298880764 563369574 /nfs/dbraw/zinc/36/95/74/563369574.db2.gz YULZWXNRDTWXIN-UHFFFAOYSA-N -2 0 380.447 2.904 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2ccn(CCC(F)(F)F)n2)ccc1C(=O)[O-] ZINC000424080515 563370128 /nfs/dbraw/zinc/37/01/28/563370128.db2.gz ILKVASDAAQMXDF-UHFFFAOYSA-N -2 0 377.344 2.643 20 0 GFADRL COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(Cl)c1 ZINC000326808068 563455810 /nfs/dbraw/zinc/45/58/10/563455810.db2.gz UUBXVTYVADUUHL-UHFFFAOYSA-N -2 0 387.797 2.835 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(F)(F)F)nc1 ZINC000327067050 563456365 /nfs/dbraw/zinc/45/63/65/563456365.db2.gz ZGIUDWPWPLFMRD-UHFFFAOYSA-N -2 0 376.312 2.608 20 0 GFADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)c1O ZINC000328141496 563461020 /nfs/dbraw/zinc/46/10/20/563461020.db2.gz LTFIFBUDKSBOOG-UHFFFAOYSA-N -2 0 377.296 2.790 20 0 GFADRL CC(=O)Nc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)ccc1Cl ZINC000433502432 563614614 /nfs/dbraw/zinc/61/46/14/563614614.db2.gz PMLRKMJKKLHLKA-UHFFFAOYSA-N -2 0 384.797 2.503 20 0 GFADRL O=C([O-])c1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])cc1O ZINC000436478558 563670938 /nfs/dbraw/zinc/67/09/38/563670938.db2.gz QXDWDTSQLZRKFP-UHFFFAOYSA-N -2 0 377.296 2.616 20 0 GFADRL CC(=O)Nc1cc(F)c(F)cc1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000509571621 564304370 /nfs/dbraw/zinc/30/43/70/564304370.db2.gz RGLFYIHEWBJXBC-UHFFFAOYSA-N -2 0 390.389 2.792 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(Cl)c1C(=O)[O-] ZINC000509662473 564309283 /nfs/dbraw/zinc/30/92/83/564309283.db2.gz CUUZVZWMKJSDEP-UHFFFAOYSA-N -3 0 385.781 2.546 20 0 GFADRL Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000475739798 564317130 /nfs/dbraw/zinc/31/71/30/564317130.db2.gz XCAGLGCGPKIZIR-UHFFFAOYSA-N -3 0 385.781 2.551 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2csc(-c3ccccn3)n2)c(F)c1 ZINC000542739859 564324097 /nfs/dbraw/zinc/32/40/97/564324097.db2.gz SETDJLOZHDBLNL-UHFFFAOYSA-N -2 0 379.394 2.843 20 0 GFADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc([C@@H](C)CC(=O)[O-])cc2)s1 ZINC000543163001 564341021 /nfs/dbraw/zinc/34/10/21/564341021.db2.gz UKCANEZJZWYPDN-JTQLQIEISA-N -2 0 383.447 2.914 20 0 GFADRL CCCc1ccc([N-]S(=O)(=O)c2cnc(NC(C)=O)s2)c(C(=O)[O-])c1 ZINC000566935863 564350016 /nfs/dbraw/zinc/35/00/16/564350016.db2.gz KUZXJJIEFLJBDW-UHFFFAOYSA-N -2 0 383.451 2.553 20 0 GFADRL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])cc1Cl ZINC000543665976 564358091 /nfs/dbraw/zinc/35/80/91/564358091.db2.gz SJSKZPAFVCIPOM-UHFFFAOYSA-N -2 0 386.788 2.937 20 0 GFADRL CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1Cl ZINC000511699856 564380583 /nfs/dbraw/zinc/38/05/83/564380583.db2.gz VPSXAWFYJPXYNI-UHFFFAOYSA-N -2 0 388.854 2.602 20 0 GFADRL Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000479512296 564442873 /nfs/dbraw/zinc/44/28/73/564442873.db2.gz REBVPLHEXOTBHJ-UHFFFAOYSA-N -2 0 378.237 2.843 20 0 GFADRL COc1cc(C)c([N-]S(=O)(=O)c2cc(F)c(F)cc2F)c(C(=O)[O-])c1 ZINC000547612390 564502346 /nfs/dbraw/zinc/50/23/46/564502346.db2.gz QNPWWAFIEZPHMM-UHFFFAOYSA-N -2 0 375.324 2.920 20 0 GFADRL O=C([O-])CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000570400675 564504671 /nfs/dbraw/zinc/50/46/71/564504671.db2.gz CKWLYYWUSMGLTJ-KWQFWETISA-N -2 0 383.363 2.945 20 0 GFADRL CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]c1cccc(Cl)c1C(=O)[O-] ZINC000484615280 564592995 /nfs/dbraw/zinc/59/29/95/564592995.db2.gz FWHFARJDGVNKSM-UHFFFAOYSA-N -2 0 387.797 2.781 20 0 GFADRL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(F)cc2Cl)cc2c1OCCO2 ZINC000484968927 564602803 /nfs/dbraw/zinc/60/28/03/564602803.db2.gz IUOQZEZEEBRUNE-UHFFFAOYSA-N -2 0 387.772 2.749 20 0 GFADRL COc1cc(S(=O)(=O)[N-]c2cnn(C(C)(C)C)c2)c(Cl)cc1C(=O)[O-] ZINC000485271434 564611469 /nfs/dbraw/zinc/61/14/69/564611469.db2.gz LVAOKQJJIVXAKO-UHFFFAOYSA-N -2 0 387.845 2.799 20 0 GFADRL COc1cc(S(=O)(=O)[N-]c2ccc3c[nH]nc3c2)c(Cl)cc1C(=O)[O-] ZINC000485297483 564611879 /nfs/dbraw/zinc/61/18/79/564611879.db2.gz YLZNHGZYZDZGJD-UHFFFAOYSA-N -2 0 381.797 2.724 20 0 GFADRL O=S(=O)([N-]c1cccc(-c2nn[nH]n2)c1)c1cc(Br)ccc1F ZINC000486870132 564668888 /nfs/dbraw/zinc/66/88/88/564668888.db2.gz SMANHINWMHGJAN-UHFFFAOYSA-N -2 0 398.217 2.569 20 0 GFADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])c(F)c1 ZINC000526005361 564715494 /nfs/dbraw/zinc/71/54/94/564715494.db2.gz DSLCISUULMTQBI-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL O=C([O-])[C@@H](CCc1ccc(F)cc1)NS(=O)(=O)c1c(F)cccc1Cl ZINC000560076346 564948514 /nfs/dbraw/zinc/94/85/14/564948514.db2.gz CXFPQNIUYJTMRR-CQSZACIVSA-N -2 0 389.807 2.983 20 0 GFADRL O=C([O-])C/C(=C\c1cn(CC(=O)[O-])nn1)c1nc2cc(Cl)ccc2s1 ZINC000533952993 564976403 /nfs/dbraw/zinc/97/64/03/564976403.db2.gz IRZWBRKHKCOFKA-FPYGCLRLSA-N -2 0 378.797 2.641 20 0 GFADRL COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]c1ccc(Cl)c(C(=O)[O-])c1 ZINC000534692443 564995104 /nfs/dbraw/zinc/99/51/04/564995104.db2.gz QBIFZEALPBTUDO-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL CCn1cc(S(=O)(=O)[N-]c2c(C)ccc(Cl)c2C(=O)[O-])cc1C(=O)[O-] ZINC000504300103 565037437 /nfs/dbraw/zinc/03/74/37/565037437.db2.gz UCKAIDXYXSYLGR-UHFFFAOYSA-N -3 0 386.813 2.667 20 0 GFADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2OCC(F)F)c1 ZINC000536907146 565049796 /nfs/dbraw/zinc/04/97/96/565049796.db2.gz WUPGQNLQGYTOST-UHFFFAOYSA-N -2 0 375.324 2.969 20 0 GFADRL C[C@H]1CCc2c(=O)n(-c3ccc(S(=O)(=O)[N-]c4nccs4)cc3)[n-]c21 ZINC000634617130 566161082 /nfs/dbraw/zinc/16/10/82/566161082.db2.gz GUYHVJOLTFMACC-GWCFXTLKSA-N -2 0 376.463 2.693 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnoc2)c(Br)cc1Cl ZINC000740089250 599868919 /nfs/dbraw/zinc/86/89/19/599868919.db2.gz CEVPJSGQLHYSRU-UHFFFAOYSA-N -2 0 381.591 2.590 20 0 GFADRL COc1ccccc1C[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000738125622 599704224 /nfs/dbraw/zinc/70/42/24/599704224.db2.gz HMKYCMNEVKIULU-LLVKDONJSA-N -2 0 397.474 2.529 20 0 GFADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cc(F)ccc2OC[C@@H]2CCCO2)c1 ZINC000502865510 599739463 /nfs/dbraw/zinc/73/94/63/599739463.db2.gz ZNJCBWXHCOXJHT-AWEZNQCLSA-N -2 0 395.408 2.883 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)n(-c2ccc(Cl)cc2)n1 ZINC000738463670 599739942 /nfs/dbraw/zinc/73/99/42/599739942.db2.gz OWWDWDBEZNNYHC-UHFFFAOYSA-N -2 0 381.797 2.926 20 0 GFADRL CN(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2cc3c(cc2Cl)NC(=O)C3)cc1 ZINC000737335490 599801832 /nfs/dbraw/zinc/80/18/32/599801832.db2.gz IOCVCFVHMWSPEP-UHFFFAOYSA-N -2 0 395.824 2.750 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2)c(C(=O)[O-])s1 ZINC000737680284 599815592 /nfs/dbraw/zinc/81/55/92/599815592.db2.gz HBEWPZFVOYPLHV-UHFFFAOYSA-N -2 0 393.801 2.826 20 0 GFADRL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1 ZINC000737718547 599816044 /nfs/dbraw/zinc/81/60/44/599816044.db2.gz UJZRZSWQRPMMLA-UHFFFAOYSA-N -2 0 399.446 2.821 20 0 GFADRL Cn1ccnc1COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC000739048966 599885935 /nfs/dbraw/zinc/88/59/35/599885935.db2.gz SFNQRDCKBOIKDT-UHFFFAOYSA-N -2 0 393.446 2.560 20 0 GFADRL CC1=C(C(=O)[O-])[C@H](c2ccc(OC(F)F)cc2)NC(=O)N1CCCCC(=O)[O-] ZINC000736749615 599989088 /nfs/dbraw/zinc/98/90/88/599989088.db2.gz DFLFCTROXZZXMI-HNNXBMFYSA-N -2 0 398.362 2.968 20 0 GFADRL CC1=C(C(=O)[O-])[C@@H](c2ccc3ncccc3c2)NC(=O)N1CCCCC(=O)[O-] ZINC000736752170 599989167 /nfs/dbraw/zinc/98/91/67/599989167.db2.gz UYPXLQATUYBRIG-GOSISDBHSA-N -2 0 383.404 2.915 20 0 GFADRL C[C@@H](Sc1ccccc1C(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1)C(=O)[O-] ZINC000736717082 600002601 /nfs/dbraw/zinc/00/26/01/600002601.db2.gz OACZZAFRWFKROH-SNVBAGLBSA-N -2 0 385.401 2.847 20 0 GFADRL O=C([O-])c1cc(Br)ccc1S(=O)(=O)[N-]c1ccc(Cl)nc1 ZINC000740067137 600005352 /nfs/dbraw/zinc/00/53/52/600005352.db2.gz MIPFVSOXBADCBK-UHFFFAOYSA-N -2 0 391.630 2.997 20 0 GFADRL O=C([O-])c1cc(C(F)(F)F)cc(S(=O)(=O)[N-]C(=O)c2cccc(F)c2)c1 ZINC000740074563 600045048 /nfs/dbraw/zinc/04/50/48/600045048.db2.gz RJROLDKGNFOOKC-UHFFFAOYSA-N -2 0 391.298 2.661 20 0 GFADRL CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)[O-])cs2)cc1 ZINC000736241336 600051402 /nfs/dbraw/zinc/05/14/02/600051402.db2.gz MCUQTIWBNLLEET-UHFFFAOYSA-N -2 0 397.478 2.556 20 0 GFADRL Cc1cccc([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])c1C(N)=O ZINC000738736446 600053295 /nfs/dbraw/zinc/05/32/95/600053295.db2.gz MGPUSQQWLMWIDT-UHFFFAOYSA-N -2 0 390.442 2.808 20 0 GFADRL Cc1nc([N-]S(=O)(=O)c2ccc(F)cc2Br)sc1C(=O)[O-] ZINC000738363187 600054725 /nfs/dbraw/zinc/05/47/25/600054725.db2.gz FIUIWSYHUVTMAH-UHFFFAOYSA-N -2 0 395.231 2.852 20 0 GFADRL O=C([O-])Nc1cccc(C(=O)[N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000740033743 600056577 /nfs/dbraw/zinc/05/65/77/600056577.db2.gz LNQDVPYJRRLZBC-UHFFFAOYSA-N -2 0 399.222 2.658 20 0 GFADRL O=C([O-])c1ccc(Br)c(S(=O)(=O)[N-]c2ccc(Cl)cn2)c1 ZINC000020302119 600101032 /nfs/dbraw/zinc/10/10/32/600101032.db2.gz JFYQRGCHKANPMY-UHFFFAOYSA-N -2 0 391.630 2.997 20 0 GFADRL Cc1ccc(Cn2nccc2[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)o1 ZINC000738604105 600102306 /nfs/dbraw/zinc/10/23/06/600102306.db2.gz BYCZANBGOHJRLJ-UHFFFAOYSA-N -2 0 375.406 2.640 20 0 GFADRL O=C([O-])[C@@H](CNC(=O)c1cccc(Br)c1[O-])Cc1cccc(F)c1 ZINC000739401587 600103129 /nfs/dbraw/zinc/10/31/29/600103129.db2.gz DDZVQHGGJNHSJI-LLVKDONJSA-N -2 0 396.212 2.967 20 0 GFADRL O=C([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1ncccc1OC(F)F ZINC000740140457 600104242 /nfs/dbraw/zinc/10/42/42/600104242.db2.gz HUKVRYYSHKUXNO-UHFFFAOYSA-N -2 0 378.740 2.835 20 0 GFADRL O=C([O-])CCSCc1cccc(NC(=O)C[C@]2(C(=O)[O-])CCSC2)c1 ZINC000739754255 600108278 /nfs/dbraw/zinc/10/82/78/600108278.db2.gz MTHYAQSLFOBSLU-QGZVFWFLSA-N -2 0 383.491 2.931 20 0 GFADRL CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1 ZINC000736161280 600231755 /nfs/dbraw/zinc/23/17/55/600231755.db2.gz CNMWHEIJZJJOQB-UHFFFAOYSA-N -2 0 384.360 2.731 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(-c3csnn3)cc2)c(F)cc1F ZINC000740089303 600234454 /nfs/dbraw/zinc/23/44/54/600234454.db2.gz DKHFIZZLKUAFPO-UHFFFAOYSA-N -2 0 397.384 2.982 20 0 GFADRL CC(C)(O)COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000736344204 600245994 /nfs/dbraw/zinc/24/59/94/600245994.db2.gz VMRDKESQSKANKY-UHFFFAOYSA-N -2 0 399.852 2.989 20 0 GFADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N2CCCCC2)cn1 ZINC000738546109 600247333 /nfs/dbraw/zinc/24/73/33/600247333.db2.gz FWJIZNBGBQZCCX-UHFFFAOYSA-N -2 0 375.450 2.879 20 0 GFADRL Cc1oc(C)c(S(=O)(=O)[N-]c2cccc(Br)n2)c1C(=O)[O-] ZINC000738969598 600247490 /nfs/dbraw/zinc/24/74/90/600247490.db2.gz MBINHGVBGWGWEU-UHFFFAOYSA-N -2 0 375.200 2.553 20 0 GFADRL COc1cc(F)c(S(=O)(=O)[N-]c2ccc(CN(C)C(=O)[O-])cc2)cc1OC ZINC000737890419 600299399 /nfs/dbraw/zinc/29/93/99/600299399.db2.gz YVWVTJGLAQAVNY-UHFFFAOYSA-N -2 0 398.412 2.754 20 0 GFADRL CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(CN(C)C(=O)[O-])cc2)c(F)c1 ZINC000736165833 600300008 /nfs/dbraw/zinc/30/00/08/600300008.db2.gz RWWRZEJMJSJTMS-UHFFFAOYSA-N -2 0 395.412 2.695 20 0 GFADRL Cc1cc(C)c(S(=O)(=O)Nc2ccc(CNC(=O)[O-])cc2)cc1C(=O)[O-] ZINC000738357251 600302880 /nfs/dbraw/zinc/30/28/80/600302880.db2.gz GSBJEFZFPKAGIN-UHFFFAOYSA-N -2 0 378.406 2.570 20 0 GFADRL CCCc1c(C(=O)[N-]S(=O)(=O)[C@H](C)c2ccccc2)[nH]c(C)c1C(=O)[O-] ZINC000737042912 600352491 /nfs/dbraw/zinc/35/24/91/600352491.db2.gz FGNXMRJBTUEMAL-GFCCVEGCSA-N -2 0 378.450 2.795 20 0 GFADRL Cc1noc(COc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])s3)cc2)n1 ZINC000738949556 600412798 /nfs/dbraw/zinc/41/27/98/600412798.db2.gz ALPHCKUEIRTXSS-UHFFFAOYSA-N -2 0 395.418 2.518 20 0 GFADRL CCOc1cc(-c2ccccc2)sc1C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000737179986 600460362 /nfs/dbraw/zinc/46/03/62/600460362.db2.gz ZHZDCGGRHNRIDP-UHFFFAOYSA-N -2 0 397.474 2.738 20 0 GFADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1ccc(-c2ccc(F)cc2)cc1F ZINC000739690830 600462506 /nfs/dbraw/zinc/46/25/06/600462506.db2.gz BSCKBNZUWRCHND-UHFFFAOYSA-N -2 0 383.372 2.556 20 0 GFADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2ccccc2SC2CCCC2)cn1 ZINC000326849661 600674108 /nfs/dbraw/zinc/67/41/08/600674108.db2.gz FFBHOQJXYQSYLG-UHFFFAOYSA-N -2 0 381.479 2.803 20 0 GFADRL CC(=O)N1CCCc2cc([N-]S(=O)(=O)c3csc(C(=O)[O-])c3)ccc21 ZINC000299548461 600678226 /nfs/dbraw/zinc/67/82/26/600678226.db2.gz YGYOOOHBMZHCMJ-UHFFFAOYSA-N -2 0 380.447 2.546 20 0 GFADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2cccc(CSC3CCCC3)c2)cn1 ZINC000833274188 600684381 /nfs/dbraw/zinc/68/43/81/600684381.db2.gz SOWXDBDGOGNGJI-UHFFFAOYSA-N -2 0 395.506 2.944 20 0 GFADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)NCCSCCC(=O)[O-])n2)cc1 ZINC000827112396 600721502 /nfs/dbraw/zinc/72/15/02/600721502.db2.gz GRBZHLXIGRTGSN-UHFFFAOYSA-N -2 0 377.466 2.639 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC(C)C)cc1C(=O)[O-] ZINC000032602070 600809862 /nfs/dbraw/zinc/80/98/62/600809862.db2.gz VYCHRKBVQJNPNF-UHFFFAOYSA-N -2 0 376.434 2.632 20 0 GFADRL COCCCOc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000057121010 600812455 /nfs/dbraw/zinc/81/24/55/600812455.db2.gz OUZXYFJHEJYPCL-UHFFFAOYSA-N -2 0 379.434 2.909 20 0 GFADRL Cc1ncccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000833009497 600830588 /nfs/dbraw/zinc/83/05/88/600830588.db2.gz YJIQIZBYBZKKKW-UHFFFAOYSA-N -2 0 389.202 2.791 20 0 GFADRL COc1ccccc1[C@H](C)S(=O)(=O)C=C([O-])c1[nH]c(C)c(C(=O)[O-])c1C ZINC000832597400 600831423 /nfs/dbraw/zinc/83/14/23/600831423.db2.gz WNASCQBAJAWROH-LBPRGKRZSA-N -2 0 379.434 2.697 20 0 GFADRL COC(=O)c1sccc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000737724322 600886907 /nfs/dbraw/zinc/88/69/07/600886907.db2.gz ZGIDHBFGQJZPAS-UHFFFAOYSA-N -2 0 375.811 2.687 20 0 GFADRL CC(C)=CCOc1cccc(C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])c1 ZINC000826647713 600937601 /nfs/dbraw/zinc/93/76/01/600937601.db2.gz KYWUJURJOLDVGE-UHFFFAOYSA-N -2 0 395.458 2.910 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)n(-c2ccccc2F)n1 ZINC000832899774 600976753 /nfs/dbraw/zinc/97/67/53/600976753.db2.gz QDSWBKIYHAARME-UHFFFAOYSA-N -2 0 381.410 2.880 20 0 GFADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)N(CCC(=O)[O-])c1cccc(F)c1 ZINC000738993056 601117997 /nfs/dbraw/zinc/11/79/97/601117997.db2.gz LZRCZDPWEKCCBZ-UHFFFAOYSA-N -2 0 387.410 2.564 20 0 GFADRL CC[C@@H](C)Oc1ccc(C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000828764333 601141984 /nfs/dbraw/zinc/14/19/84/601141984.db2.gz HXXYGLGSSYFELZ-CYBMUJFWSA-N -2 0 391.445 2.822 20 0 GFADRL CC[C@H](C)Oc1ccc(C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000828764335 601142057 /nfs/dbraw/zinc/14/20/57/601142057.db2.gz HXXYGLGSSYFELZ-ZDUSSCGKSA-N -2 0 391.445 2.822 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)c1F ZINC000749145115 601224019 /nfs/dbraw/zinc/22/40/19/601224019.db2.gz JTQNDFKUAODZOJ-GFCCVEGCSA-N -2 0 393.392 2.600 20 0 GFADRL O=C([O-])CSCc1cccc(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c1 ZINC000833263957 601224951 /nfs/dbraw/zinc/22/49/51/601224951.db2.gz URQTVTOQPYBXFT-UHFFFAOYSA-N -2 0 399.421 2.643 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2cccc(CN3CCCCC3=O)c2)cc1C(=O)[O-] ZINC000833029654 601233330 /nfs/dbraw/zinc/23/33/30/601233330.db2.gz KNMMTHSTIBVIGE-UHFFFAOYSA-N -2 0 392.433 2.600 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2cccc(SC(=O)N(C)C)c2)cc1C(=O)[O-] ZINC000833029156 601234087 /nfs/dbraw/zinc/23/40/87/601234087.db2.gz DCANKJKDMQBANI-UHFFFAOYSA-N -2 0 384.435 2.861 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)cc2)cc1C(=O)[O-] ZINC000833029317 601234352 /nfs/dbraw/zinc/23/43/52/601234352.db2.gz FEHJFNOBCTZBOK-UHFFFAOYSA-N -2 0 382.463 2.640 20 0 GFADRL O=C([O-])[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)C1 ZINC000833185094 601239545 /nfs/dbraw/zinc/23/95/45/601239545.db2.gz VJCPQBZWNGJDOM-DTWKUNHWSA-N -2 0 397.346 2.540 20 0 GFADRL Cc1ccc(NS(=O)(=O)c2ccc(C(=O)CCC(=O)[O-])cc2)c(C(=O)[O-])c1 ZINC000481445997 601249731 /nfs/dbraw/zinc/24/97/31/601249731.db2.gz JQKGHEVNTZJYGB-UHFFFAOYSA-N -2 0 391.401 2.542 20 0 GFADRL Cc1cc(C(=O)NC(C)(C)CCC(=O)[O-])ccc1[N-]S(=O)(=O)C(F)(F)F ZINC000268883089 601285092 /nfs/dbraw/zinc/28/50/92/601285092.db2.gz CAMMHCRNRBCUAI-UHFFFAOYSA-N -2 0 396.387 2.630 20 0 GFADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)NC[C@@H](C(=O)[O-])c2ccccc2)n1 ZINC000832889660 601291331 /nfs/dbraw/zinc/29/13/31/601291331.db2.gz LWOXUKKVIVDDHD-OAHLLOKOSA-N -2 0 383.379 2.624 20 0 GFADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)NC[C@H](C(=O)[O-])c2ccccc2)n1 ZINC000832889655 601291459 /nfs/dbraw/zinc/29/14/59/601291459.db2.gz LWOXUKKVIVDDHD-HNNXBMFYSA-N -2 0 383.379 2.624 20 0 GFADRL CNC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000831005870 601323563 /nfs/dbraw/zinc/32/35/63/601323563.db2.gz ZPALOYBDFRKWQX-RUDMXATFSA-N -2 0 394.836 2.598 20 0 GFADRL COCCCOc1ccccc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000057121026 601325648 /nfs/dbraw/zinc/32/56/48/601325648.db2.gz WCRCCEPVKASCNM-UHFFFAOYSA-N -2 0 383.397 2.740 20 0 GFADRL CC(=O)Nc1cc(F)c(F)cc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000737545389 601328692 /nfs/dbraw/zinc/32/86/92/601328692.db2.gz UDWSFNNKHHGQSQ-UHFFFAOYSA-N -2 0 388.323 2.561 20 0 GFADRL COC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)cc1Cl ZINC000583896960 601332510 /nfs/dbraw/zinc/33/25/10/601332510.db2.gz VRKRTHLUDGTJQS-UHFFFAOYSA-N -2 0 399.808 2.634 20 0 GFADRL Cn1c([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)nc2cc(Cl)ccc21 ZINC000738404064 601360051 /nfs/dbraw/zinc/36/00/51/601360051.db2.gz WCYSCEYCCFBAMJ-UHFFFAOYSA-N -2 0 383.788 2.865 20 0 GFADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2nc(-c3ccccc3)ns2)cc1 ZINC000833267631 601362012 /nfs/dbraw/zinc/36/20/12/601362012.db2.gz WUTFEGOKPVKNTO-UHFFFAOYSA-N -2 0 375.431 2.633 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)CCC2 ZINC000425956660 601387958 /nfs/dbraw/zinc/38/79/58/601387958.db2.gz FILXILVSTQONEF-UHFFFAOYSA-N -2 0 375.402 2.713 20 0 GFADRL CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)o1 ZINC000481971818 601474967 /nfs/dbraw/zinc/47/49/67/601474967.db2.gz LAJOYUFOFRFOLZ-UHFFFAOYSA-N -2 0 381.406 2.619 20 0 GFADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])n1 ZINC000832889254 601483537 /nfs/dbraw/zinc/48/35/37/601483537.db2.gz GTFJSTSLHMTFSC-LJQANCHMSA-N -2 0 395.390 2.850 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cnn(-c2ccccc2F)c1 ZINC000831950671 601492317 /nfs/dbraw/zinc/49/23/17/601492317.db2.gz VPOUSKFJNDRKNR-UHFFFAOYSA-N -2 0 397.409 2.581 20 0 GFADRL O=C(/C=C/c1ccc2ccccc2n1)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000833095652 601500490 /nfs/dbraw/zinc/50/04/90/601500490.db2.gz WPJIQKUTGPAUGN-VAWYXSNFSA-N -2 0 396.424 2.592 20 0 GFADRL CCC(CC)c1nnc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)s1 ZINC000828870415 601501587 /nfs/dbraw/zinc/50/15/87/601501587.db2.gz QDKXOIIRWDNKMR-UHFFFAOYSA-N -2 0 385.467 2.706 20 0 GFADRL CC(C)(C)c1nnc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)s1 ZINC000826528345 601502946 /nfs/dbraw/zinc/50/29/46/601502946.db2.gz XDVQUOJYEZSSFY-UHFFFAOYSA-N -2 0 377.394 2.613 20 0 GFADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2nnc(Cc3ccccc3F)s2)c1 ZINC000833334035 601504335 /nfs/dbraw/zinc/50/43/35/601504335.db2.gz IJMNEHOTGHIWBP-UHFFFAOYSA-N -2 0 393.421 2.767 20 0 GFADRL Cc1nc(S(=O)(=O)[N-]CCCCCCC(=O)[O-])sc1Br ZINC000833003060 601585835 /nfs/dbraw/zinc/58/58/35/601585835.db2.gz LISZAPIYBQCMAB-UHFFFAOYSA-N -2 0 385.305 2.527 20 0 GFADRL COc1ccccc1-c1cc([N-]S(=O)(=O)c2ccc(C=CC(=O)[O-])cc2)n[nH]1 ZINC000832577306 601604648 /nfs/dbraw/zinc/60/46/48/601604648.db2.gz FOLPZJRVIXWVSQ-FLIBITNWSA-N -2 0 399.428 2.984 20 0 GFADRL Cc1ccc([C@H](CNC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])C(=O)[O-])cc1 ZINC000832921898 601756941 /nfs/dbraw/zinc/75/69/41/601756941.db2.gz BIUZRRLQJFRQDS-INIZCTEOSA-N -2 0 383.379 2.624 20 0 GFADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1nc(Cc2ccccc2)cs1 ZINC000833346931 601768582 /nfs/dbraw/zinc/76/85/82/601768582.db2.gz XEMQGWRCRBAJMJ-UHFFFAOYSA-N -2 0 381.460 2.689 20 0 GFADRL O=C([O-])CCCc1csc([N-]S(=O)(=O)c2ccc3ncccc3c2)n1 ZINC000833229626 601771404 /nfs/dbraw/zinc/77/14/04/601771404.db2.gz MXYIUPHPMGWJEQ-UHFFFAOYSA-N -2 0 377.447 2.899 20 0 GFADRL COc1ccc(OC)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c1 ZINC000063877056 601830882 /nfs/dbraw/zinc/83/08/82/601830882.db2.gz XHMQQRKEBPSQEO-UHFFFAOYSA-N -2 0 389.788 2.995 20 0 GFADRL COC(=O)c1sccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000063877260 601831880 /nfs/dbraw/zinc/83/18/80/601831880.db2.gz QTAIMFMCIYFLNB-UHFFFAOYSA-N -2 0 393.801 2.826 20 0 GFADRL Cc1ccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])c(OCC(F)(F)F)c1 ZINC000832950614 601837774 /nfs/dbraw/zinc/83/77/74/601837774.db2.gz PHPNEBSAQSZEMB-UHFFFAOYSA-N -2 0 396.368 2.892 20 0 GFADRL C[C@@H](c1ccccc1)n1ccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)n1 ZINC000675284428 601854766 /nfs/dbraw/zinc/85/47/66/601854766.db2.gz BGTMNLHDIKQJLA-AWEZNQCLSA-N -2 0 385.445 2.920 20 0 GFADRL CCN(CC)C(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000829658902 601859864 /nfs/dbraw/zinc/85/98/64/601859864.db2.gz QLWOJPCOOZVKAV-UHFFFAOYSA-N -2 0 394.424 2.807 20 0 GFADRL Cc1c(Cl)cccc1S(=O)(=O)[N-]c1nc2c(s1)CN(C(=O)[O-])CC2 ZINC000740047470 601976507 /nfs/dbraw/zinc/97/65/07/601976507.db2.gz WDLBICSTZIQGAD-UHFFFAOYSA-N -2 0 387.870 2.942 20 0 GFADRL COc1cc(C)c(S(=O)(=O)[N-]c2nc3c(s2)CN(C(=O)[O-])CC3)cc1C ZINC000739856649 601976600 /nfs/dbraw/zinc/97/66/00/601976600.db2.gz NSWDPRLCIDYOJI-UHFFFAOYSA-N -2 0 397.478 2.605 20 0 GFADRL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2sccc2Br)c1 ZINC000115772368 601987451 /nfs/dbraw/zinc/98/74/51/601987451.db2.gz ADVBSFSZTVUBKM-UHFFFAOYSA-N -2 0 376.253 2.939 20 0 GFADRL Cn1c(=O)c2ccc(C(=O)Nc3cc(NC(=O)[O-])ccc3F)cc2[n-]c1=S ZINC000740285044 602026888 /nfs/dbraw/zinc/02/68/88/602026888.db2.gz XUPAHXIYUGNFGX-UHFFFAOYSA-N -2 0 388.380 2.704 20 0 GFADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2nnc(-c3ccco3)s2)c1 ZINC000833316706 602102056 /nfs/dbraw/zinc/10/20/56/602102056.db2.gz CGOZJXZSRTYKBP-UHFFFAOYSA-N -2 0 385.810 2.951 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2nnc(CCCC(=O)[O-])s2)cc1Cl ZINC000832956729 602105851 /nfs/dbraw/zinc/10/58/51/602105851.db2.gz YHBNQKBCPCFGFU-UHFFFAOYSA-N -2 0 375.859 2.708 20 0 GFADRL Cc1cc([C@@H]2NC(=O)N(CCCCC(=O)[O-])C(C)=C2C(=O)[O-])cnc1Cl ZINC000828136922 602111639 /nfs/dbraw/zinc/11/16/39/602111639.db2.gz ZQZYZEWXJAMQAJ-AWEZNQCLSA-N -2 0 381.816 2.723 20 0 GFADRL Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])cc1C(=O)[O-] ZINC000740146494 602245922 /nfs/dbraw/zinc/24/59/22/602245922.db2.gz HGGMLYIJKHHOQH-UHFFFAOYSA-N -2 0 376.390 2.535 20 0 GFADRL O=C([O-])NC[C@@H](NC(=O)CC1(C(=O)[O-])Cc2ccccc2C1)C1CCCCC1 ZINC000740600273 602571143 /nfs/dbraw/zinc/57/11/43/602571143.db2.gz IKSRMYSDUOVCNV-QGZVFWFLSA-N -2 0 388.464 2.579 20 0 GFADRL C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CC[C@H](NC(=O)[O-])c1ccccc1 ZINC000739057430 602779134 /nfs/dbraw/zinc/77/91/34/602779134.db2.gz IFAIRRUOCKEARN-PBHICJAKSA-N -2 0 390.461 2.983 20 0 GFADRL Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1cccc(CN(C)C(=O)[O-])c1 ZINC000740243282 602869528 /nfs/dbraw/zinc/86/95/28/602869528.db2.gz OSKHQSRUQYVDRX-UHFFFAOYSA-N -2 0 380.470 2.991 20 0 GFADRL O=C([O-])N1CCc2c(cccc2NC(=O)CSc2n[n-]c(=S)s2)C1 ZINC000831552067 603492805 /nfs/dbraw/zinc/49/28/05/603492805.db2.gz CMLCQZRGOMQPDI-UHFFFAOYSA-N -2 0 382.492 2.594 20 0 GFADRL CN(C[C@H]1CCN(C(=O)c2cc(Br)cc(Cl)c2[O-])C1)C(=O)[O-] ZINC000828252693 603544570 /nfs/dbraw/zinc/54/45/70/603544570.db2.gz BXEOWTHMGNSWGE-MRVPVSSYSA-N -2 0 391.649 2.880 20 0 GFADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CC[C@H](CN(C)C(=O)[O-])C3)n2)cc1 ZINC000824463351 603571096 /nfs/dbraw/zinc/57/10/96/603571096.db2.gz HYTDLQWGVVSKLU-CQSZACIVSA-N -2 0 386.452 2.773 20 0 GFADRL C[C@@]1(C(=O)[N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)CCN(C(=O)[O-])C1 ZINC000825677489 604188333 /nfs/dbraw/zinc/18/83/33/604188333.db2.gz HEQKKSWOWATIHO-LJQANCHMSA-N -2 0 388.445 2.549 20 0 GFADRL C[C@H](C(=O)[N-]S(=O)(=O)/C=C\c1ccccc1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823701734 604210021 /nfs/dbraw/zinc/21/00/21/604210021.db2.gz GKDNDXVDFRISJW-JSQBSXHBSA-N -2 0 388.445 2.748 20 0 GFADRL Cc1ccc(-n2[n-]c(C(=O)N(CCCC(=O)[O-])Cc3ccccc3)cc2=O)cc1 ZINC000832910293 604372435 /nfs/dbraw/zinc/37/24/35/604372435.db2.gz XNTWHFZLTJEMSG-UHFFFAOYSA-N -2 0 393.443 2.981 20 0 GFADRL C[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824680287 604394328 /nfs/dbraw/zinc/39/43/28/604394328.db2.gz TXAYVAHBHCQJDE-NEPJUHHUSA-N -2 0 388.873 2.561 20 0 GFADRL C[C@H](NC(=O)[O-])c1ccc(CNC(=O)CSc2n[n-]c(=S)s2)cc1 ZINC000825377482 604453963 /nfs/dbraw/zinc/45/39/63/604453963.db2.gz DVOCQDQFPXJFIG-QMMMGPOBSA-N -2 0 384.508 2.564 20 0 GFADRL CC(C)[C@@H](C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-])c1ccc(F)cc1 ZINC000833464665 604605086 /nfs/dbraw/zinc/60/50/86/604605086.db2.gz BBQBQVDRGGKBLI-CYBMUJFWSA-N -2 0 385.438 2.830 20 0 GFADRL CC1(C)Cc2cc(S(=O)(=O)[N-]c3nc(CCC(=O)[O-])cs3)ccc2O1 ZINC000828082531 604624182 /nfs/dbraw/zinc/62/41/82/604624182.db2.gz PVROFDWSQUQDHI-UHFFFAOYSA-N -2 0 382.463 2.675 20 0 GFADRL O=C([O-])c1ccc2c(c1)CCN2S(=O)(=O)c1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC000767739699 604631828 /nfs/dbraw/zinc/63/18/28/604631828.db2.gz SVGVNIFCEFDIOL-UHFFFAOYSA-N -2 0 399.783 2.627 20 0 GFADRL CN1CCCc2ccc(S(=O)(=O)[N-]c3nc(C4CC4)c(C(=O)[O-])s3)cc21 ZINC000833697689 604759162 /nfs/dbraw/zinc/75/91/62/604759162.db2.gz NXHQAYAPXACHPN-UHFFFAOYSA-N -2 0 393.490 2.902 20 0 GFADRL Cc1sc(C(N)=O)cc1[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000833034319 604770900 /nfs/dbraw/zinc/77/09/00/604770900.db2.gz YORQAMZBGVZLLC-UHFFFAOYSA-N -2 0 396.471 2.869 20 0 GFADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)[C@H]2CCCc3sccc32)cc1 ZINC000833315649 604939633 /nfs/dbraw/zinc/93/96/33/604939633.db2.gz YNGNUNCRQSXRGY-AWEZNQCLSA-N -2 0 379.459 2.512 20 0 GFADRL COC(=O)c1cccc(S(=O)(=O)[N-]c2sc(C)c(C)c2C(=O)[O-])c1C ZINC000833716436 605022730 /nfs/dbraw/zinc/02/27/30/605022730.db2.gz GTQPDWTZKRDXQA-UHFFFAOYSA-N -2 0 383.447 2.959 20 0 GFADRL COc1ccc(O)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2OC(F)F)c1 ZINC000833733942 605240686 /nfs/dbraw/zinc/24/06/86/605240686.db2.gz WEDBJNWGKPUBGT-UHFFFAOYSA-N -2 0 389.332 2.501 20 0 GFADRL C[C@H]1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000833609405 605486501 /nfs/dbraw/zinc/48/65/01/605486501.db2.gz RNTLCIHNWWMELG-QPUJVOFHSA-N -2 0 379.356 2.645 20 0 GFADRL CS(=O)(=O)[N-]c1ccccc1C(=O)OCc1cc(C(=O)[O-])ccc1Cl ZINC000833738469 605809173 /nfs/dbraw/zinc/80/91/73/605809173.db2.gz WQCBBGVOHWACTD-UHFFFAOYSA-N -2 0 383.809 2.767 20 0 GFADRL O=C([O-])CN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@H]1CC[C@H](NC(=O)[O-])C1 ZINC000834065419 606048210 /nfs/dbraw/zinc/04/82/10/606048210.db2.gz MCDZPWRGVLZROH-AAEUAGOBSA-N -2 0 388.342 2.555 20 0 GFADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3oc(=O)ccc3c2)c1 ZINC000057119886 654800982 /nfs/dbraw/zinc/80/09/82/654800982.db2.gz GPGPWRBSMHUKQL-UHFFFAOYSA-N -2 0 379.777 2.945 20 0 GFADRL CCn1cc(S(=O)(=O)[N-]c2cc(Cl)c(OC)cc2OC)cc1C(=O)[O-] ZINC000269914250 655027338 /nfs/dbraw/zinc/02/73/38/655027338.db2.gz CLKMSRNGPSRABU-UHFFFAOYSA-N -2 0 388.829 2.678 20 0 GFADRL Cn1cnc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(F)(F)F)c2)c1Cl ZINC000120313411 655334778 /nfs/dbraw/zinc/33/47/78/655334778.db2.gz CKKPCLACZYWFII-UHFFFAOYSA-N -2 0 383.735 2.591 20 0 GFADRL CCc1noc(C)c1[N-]S(=O)(=O)c1ccc(Br)c(C(=O)[O-])c1 ZINC000754761613 655872695 /nfs/dbraw/zinc/87/26/95/655872695.db2.gz ZGZGLKJRQWSTMD-UHFFFAOYSA-N -2 0 389.227 2.807 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2cnn(C)c2C(F)F)cc(C(=O)[O-])c1Cl ZINC000759102576 655947648 /nfs/dbraw/zinc/94/76/48/655947648.db2.gz KMUDWKXSYJMJBL-UHFFFAOYSA-N -2 0 379.772 2.819 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2cnc(Cl)cc2C)c(C)c1OCC(=O)[O-] ZINC000765141851 656133451 /nfs/dbraw/zinc/13/34/51/656133451.db2.gz OBMQAKGSIYYXNA-UHFFFAOYSA-N -2 0 384.841 2.924 20 0 GFADRL COc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)cnc1Cl ZINC000767451428 656203762 /nfs/dbraw/zinc/20/37/62/656203762.db2.gz OCTGIMRJPFATEU-UHFFFAOYSA-N -2 0 377.205 2.896 20 0 GFADRL O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000776520921 656750475 /nfs/dbraw/zinc/75/04/75/656750475.db2.gz IMWGAJKVPIBVKJ-LJGSYFOKSA-N -2 0 387.326 2.551 20 0 GFADRL CN(C)c1ccc([N-]S(=O)(=O)c2c(Cl)ccnc2Cl)c(C(=O)[O-])c1 ZINC000776530341 656751778 /nfs/dbraw/zinc/75/17/78/656751778.db2.gz BEFWWWRAEZCLLX-UHFFFAOYSA-N -2 0 390.248 2.953 20 0 GFADRL CC(C)(C)[C@H](C[N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)CC(=O)[O-] ZINC000776641414 656774370 /nfs/dbraw/zinc/77/43/70/656774370.db2.gz ROFNLTRJUPEOEG-LURJTMIESA-N -2 0 389.342 2.797 20 0 GFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2cc(O)cc(F)c2)cc1C(=O)[O-] ZINC000790400563 657969166 /nfs/dbraw/zinc/96/91/66/657969166.db2.gz WXBRTGGCDLCWLM-UHFFFAOYSA-N -2 0 375.761 2.692 20 0 GFADRL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Br)nc1 ZINC000793411598 658394424 /nfs/dbraw/zinc/39/44/24/658394424.db2.gz KTYANIUXJQSWLQ-UHFFFAOYSA-N -2 0 389.202 2.791 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)OC3)c(Cl)cc1F ZINC000808124209 659878974 /nfs/dbraw/zinc/87/89/74/659878974.db2.gz NMVMKTJDDXMJTG-UHFFFAOYSA-N -2 0 385.756 2.649 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3[nH]c(=O)oc32)c(Cl)cc1F ZINC000811707171 660014461 /nfs/dbraw/zinc/01/44/61/660014461.db2.gz RUSYVEITOPFTLX-UHFFFAOYSA-N -2 0 386.744 2.825 20 0 GFADRL Cc1c(C(F)(F)F)cccc1S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC000863956113 662351042 /nfs/dbraw/zinc/35/10/42/662351042.db2.gz JAWPFWSYBCRYEB-LLVKDONJSA-N -2 0 381.372 2.566 20 0 GFADRL CC[C@H](C[N-]S(=O)(=O)c1oc2ccccc2c1Br)C(=O)[O-] ZINC000864432443 662370606 /nfs/dbraw/zinc/37/06/06/662370606.db2.gz ZXWZBXINUAWFCN-MRVPVSSYSA-N -2 0 376.228 2.584 20 0 GFADRL C[C@H](CC[N-]S(=O)(=O)c1oc2ccccc2c1Br)CC(=O)[O-] ZINC000864431223 662370739 /nfs/dbraw/zinc/37/07/39/662370739.db2.gz PAMKFDUZXMLKGC-SECBINFHSA-N -2 0 390.255 2.975 20 0 GFADRL CC(C)(C)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C(N)=O)c1 ZINC000278115809 563241658 /nfs/dbraw/zinc/24/16/58/563241658.db2.gz PWKYZHGIQFAZTL-UHFFFAOYSA-N -2 0 382.463 2.644 20 0 GFADRL O=C([O-])[C@H](NS(=O)(=O)C[C@@H]1CCCCC1(F)F)c1c(F)cccc1F ZINC000296881499 563306447 /nfs/dbraw/zinc/30/64/47/563306447.db2.gz HYMVEUXJBQFGPW-TVQRCGJNSA-N -2 0 383.363 2.835 20 0 GFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(Br)c(F)c2)c(O)c1 ZINC000318364603 563443084 /nfs/dbraw/zinc/44/30/84/563443084.db2.gz XGBBMBCNIUXKAI-UHFFFAOYSA-N -2 0 390.186 2.793 20 0 GFADRL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000392748728 563526993 /nfs/dbraw/zinc/52/69/93/563526993.db2.gz PSMURMQQDPOGEP-UHFFFAOYSA-N -2 0 386.769 2.756 20 0 GFADRL CCn1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2C(=O)[O-])nc1C ZINC000393088612 563528495 /nfs/dbraw/zinc/52/84/95/563528495.db2.gz WDPXEBVNXOBYDS-UHFFFAOYSA-N -2 0 377.344 2.729 20 0 GFADRL CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2cccc3nsnc32)cc1 ZINC000393191894 563528867 /nfs/dbraw/zinc/52/88/67/563528867.db2.gz XDYHNDMAUKXIHI-UHFFFAOYSA-N -2 0 377.447 2.854 20 0 GFADRL CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1C ZINC000432628784 563589133 /nfs/dbraw/zinc/58/91/33/563589133.db2.gz AVLYKIHQKOQOTC-UHFFFAOYSA-N -2 0 383.451 2.697 20 0 GFADRL CCc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C(N)=O)cc1C(=O)[O-] ZINC000440831698 563750966 /nfs/dbraw/zinc/75/09/66/563750966.db2.gz JZTSMPQPYSFTKC-UHFFFAOYSA-N -2 0 382.825 2.500 20 0 GFADRL COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc2c(cc1C(=O)[O-])OCO2 ZINC000447107874 563874691 /nfs/dbraw/zinc/87/46/91/563874691.db2.gz HSBCMHLQIZQQLR-UHFFFAOYSA-N -2 0 385.781 2.576 20 0 GFADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)cc(Cl)c1O ZINC000471953325 564208273 /nfs/dbraw/zinc/20/82/73/564208273.db2.gz JQUUNLRCWNSHJR-UHFFFAOYSA-N -2 0 389.788 2.621 20 0 GFADRL C[C@@H](Sc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1)C(=O)[O-] ZINC000507617040 564234124 /nfs/dbraw/zinc/23/41/24/564234124.db2.gz NGXHEKBBORWQJJ-MRVPVSSYSA-N -3 0 387.460 2.812 20 0 GFADRL C[C@H](Sc1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1)C(=O)[O-] ZINC000507608802 564234462 /nfs/dbraw/zinc/23/44/62/564234462.db2.gz XTVLZSYCBZKFJF-QMMMGPOBSA-N -3 0 387.460 2.812 20 0 GFADRL CS(=O)(=O)[N-]c1cc(F)ccc1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000540216708 564242453 /nfs/dbraw/zinc/24/24/53/564242453.db2.gz SBHNCCGTPOGRIL-UHFFFAOYSA-N -2 0 384.410 2.744 20 0 GFADRL CC(C)Oc1ncc(Cl)cc1[N-]S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000451096405 564273698 /nfs/dbraw/zinc/27/36/98/564273698.db2.gz NUSKNKFVMXYCIM-UHFFFAOYSA-N -2 0 384.841 2.950 20 0 GFADRL CCn1cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2C)cc1C(=O)[O-] ZINC000509381088 564295844 /nfs/dbraw/zinc/29/58/44/564295844.db2.gz ZWGRBOVQVUTRTC-UHFFFAOYSA-N -2 0 377.344 2.729 20 0 GFADRL O=C([O-])c1ccc(NS(=O)(=O)C[C@@H]2CCCCC2(F)F)cc1C(=O)[O-] ZINC000565936120 564302325 /nfs/dbraw/zinc/30/23/25/564302325.db2.gz AKSSNWHVWWHYEE-VIFPVBQESA-N -2 0 377.365 2.650 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2c(C)ccc(Cl)c2C(=O)[O-])oc1C ZINC000475733521 564316867 /nfs/dbraw/zinc/31/68/67/564316867.db2.gz LGUNSGCHVZLLNI-UHFFFAOYSA-N -2 0 387.797 2.835 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2c(C)ccc(Cl)c2C(=O)[O-])cs1 ZINC000475742367 564316969 /nfs/dbraw/zinc/31/69/69/564316969.db2.gz OWVNMIMJCDZOOX-UHFFFAOYSA-N -2 0 389.838 2.996 20 0 GFADRL CCOC(=O)c1ccc(S(=O)(=O)[N-]c2c(C)ccc(Cl)c2C(=O)[O-])o1 ZINC000475742780 564317651 /nfs/dbraw/zinc/31/76/51/564317651.db2.gz TZKUZXFZXKFDHB-UHFFFAOYSA-N -2 0 387.797 2.917 20 0 GFADRL Cc1c([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cccc1NC(=O)N(C)C ZINC000475827657 564321662 /nfs/dbraw/zinc/32/16/62/564321662.db2.gz DSWJCAKWKBUPRV-UHFFFAOYSA-N -2 0 383.451 2.649 20 0 GFADRL CC[C@H](CCNS(=O)(=O)c1cc(Br)c(F)cc1F)C(=O)[O-] ZINC000568363370 564415816 /nfs/dbraw/zinc/41/58/16/564415816.db2.gz DCAPKTXGSITMJV-SSDOTTSWSA-N -2 0 386.214 2.507 20 0 GFADRL O=C([O-])c1cc(F)c(F)cc1[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000479205706 564431016 /nfs/dbraw/zinc/43/10/16/564431016.db2.gz NTBDHDWVUHJARG-UHFFFAOYSA-N -2 0 382.266 2.878 20 0 GFADRL Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccn(CC(F)F)n2)cc1C(=O)[O-] ZINC000479239049 564432712 /nfs/dbraw/zinc/43/27/12/564432712.db2.gz XGHSIOPNPWKYAL-UHFFFAOYSA-N -2 0 379.772 2.609 20 0 GFADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccccc2C[S@](C)=O)c1 ZINC000545827128 564433490 /nfs/dbraw/zinc/43/34/90/564433490.db2.gz FTPRVYUUUIXYHL-DEOSSOPVSA-N -2 0 385.438 2.512 20 0 GFADRL Cc1c(Cl)cc(S(=O)(=O)[N-]c2cnn(CC(F)(F)F)c2)cc1C(=O)[O-] ZINC000479263021 564433785 /nfs/dbraw/zinc/43/37/85/564433785.db2.gz XGULMKJVEXBBPL-UHFFFAOYSA-N -2 0 397.762 2.906 20 0 GFADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000546778693 564468037 /nfs/dbraw/zinc/46/80/37/564468037.db2.gz NSIUAGMKZVRWTQ-UHFFFAOYSA-N -2 0 394.174 2.689 20 0 GFADRL COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1cccc(Cl)c1C(=O)[O-] ZINC000548521454 564555559 /nfs/dbraw/zinc/55/55/59/564555559.db2.gz OJEVHCXRNRQXBS-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2cc3c(cc2Cl)OCCO3)c1 ZINC000484493756 564589601 /nfs/dbraw/zinc/58/96/01/564589601.db2.gz CJNRPJLHVKSDFU-UHFFFAOYSA-N -2 0 383.809 2.539 20 0 GFADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(=O)[O-])cc1Cl ZINC000484583077 564591063 /nfs/dbraw/zinc/59/10/63/564591063.db2.gz LJDBOROFZYKASG-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL COc1cc([N-]S(=O)(=O)c2cnc(C)s2)c(C(=O)[O-])cc1OC(F)F ZINC000484564245 564591199 /nfs/dbraw/zinc/59/11/99/564591199.db2.gz JLLAZSVLFVFUNK-UHFFFAOYSA-N -2 0 394.377 2.561 20 0 GFADRL Cc1ccc([N-]S(=O)(=O)c2cc3c(cc2Cl)OCCO3)cc1C(=O)[O-] ZINC000484801503 564599977 /nfs/dbraw/zinc/59/99/77/564599977.db2.gz ARIFULRBOLPADZ-UHFFFAOYSA-N -2 0 383.809 2.919 20 0 GFADRL CC[C@@](C)(C[N-]S(=O)(=O)c1cc(F)c(Br)cc1F)C(=O)[O-] ZINC000572668822 564604422 /nfs/dbraw/zinc/60/44/22/564604422.db2.gz UBOFNOISYQDHCJ-LBPRGKRZSA-N -2 0 386.214 2.507 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)c(C(=O)[O-])c2)c[nH]1 ZINC000485042928 564605851 /nfs/dbraw/zinc/60/58/51/564605851.db2.gz RTEBFLDCHUHNQF-UHFFFAOYSA-N -2 0 393.204 2.607 20 0 GFADRL COC(=O)c1cccc(Cl)c1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1C ZINC000551470326 564651038 /nfs/dbraw/zinc/65/10/38/564651038.db2.gz OEVFPNFEZHUUQB-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL Cc1nc(-c2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])sc3C)c2)no1 ZINC000552740442 564699814 /nfs/dbraw/zinc/69/98/14/564699814.db2.gz FTJGJOKOVOHVPC-UHFFFAOYSA-N -2 0 379.419 2.914 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2C(=O)[O-])c(Cl)c1 ZINC000489692860 564749376 /nfs/dbraw/zinc/74/93/76/564749376.db2.gz BTMPRZVHHPBSGT-UHFFFAOYSA-N -3 0 391.735 2.815 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2cc(Br)ccc2O)cc1C(=O)[O-] ZINC000494884454 564843056 /nfs/dbraw/zinc/84/30/56/564843056.db2.gz AQFYCHKMLAQYBK-UHFFFAOYSA-N -2 0 386.223 2.962 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2-n2cnnc2)sc1Cl ZINC000530488778 564884818 /nfs/dbraw/zinc/88/48/18/564884818.db2.gz SPWZKTFTILDRPA-UHFFFAOYSA-N -2 0 398.853 2.790 20 0 GFADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)c(Cl)c1 ZINC000533629254 564968323 /nfs/dbraw/zinc/96/83/23/564968323.db2.gz ZOUXQBOHMSVOGX-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL Cc1oncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Br)c1C ZINC000536080726 565028609 /nfs/dbraw/zinc/02/86/09/565028609.db2.gz URWODHDAPFYWHH-UHFFFAOYSA-N -2 0 375.200 2.553 20 0 GFADRL CC(=O)Nc1nc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)s1 ZINC000589433532 565162456 /nfs/dbraw/zinc/16/24/56/565162456.db2.gz ANKBIRJJRPHQIJ-UHFFFAOYSA-N -2 0 389.842 2.562 20 0 GFADRL O=S(=O)(CCOCC1CC1)[N-]c1cc(Cl)cc(Br)c1[O-] ZINC000643623655 565436886 /nfs/dbraw/zinc/43/68/86/565436886.db2.gz OQFKFBYNYCTFEI-UHFFFAOYSA-N -2 0 384.679 2.976 20 0 GFADRL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cc(F)c(Br)cc1F)CC1CC1 ZINC000650432066 565821097 /nfs/dbraw/zinc/82/10/97/565821097.db2.gz LZMCEBJDKJBJFJ-QMMMGPOBSA-N -2 0 398.225 2.507 20 0 GFADRL Cc1ccsc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1OCCCCO ZINC000629328870 565843723 /nfs/dbraw/zinc/84/37/23/565843723.db2.gz UHDHEXOEQYEVSC-UHFFFAOYSA-N -2 0 385.463 2.707 20 0 GFADRL CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C(=O)[O-])s1 ZINC000604856395 565938484 /nfs/dbraw/zinc/93/84/84/565938484.db2.gz NUAIDOVRHRMIGR-SNVBAGLBSA-N -2 0 382.463 2.753 20 0 GFADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(=O)N(C)C)c(C)c1 ZINC000607103217 565978781 /nfs/dbraw/zinc/97/87/81/565978781.db2.gz DRQAOXIPKDDMPB-UHFFFAOYSA-N -2 0 382.463 2.566 20 0 GFADRL O=C([O-])c1cc(Br)cc(S(=O)(=O)[N-]c2cnc(C3CC3)nc2)c1 ZINC000677804991 565984302 /nfs/dbraw/zinc/98/43/02/565984302.db2.gz NJWOFNZEFQIDRV-UHFFFAOYSA-N -2 0 398.238 2.616 20 0 GFADRL CCOC(=O)c1c(F)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000611443947 566129719 /nfs/dbraw/zinc/12/97/19/566129719.db2.gz ADIQVTKZTVAZSL-UHFFFAOYSA-N -2 0 387.410 2.871 20 0 GFADRL C[C@@H]1CCc2c(=O)n(-c3ccc(S(=O)(=O)[N-]c4nccs4)cc3)[n-]c21 ZINC000634617132 566161117 /nfs/dbraw/zinc/16/11/17/566161117.db2.gz GUYHVJOLTFMACC-MFKMUULPSA-N -2 0 376.463 2.693 20 0 GFADRL COc1cc(C(F)(F)F)ncc1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000682872856 566174517 /nfs/dbraw/zinc/17/45/17/566174517.db2.gz ZUJRWMIHZRXMGS-UHFFFAOYSA-N -2 0 396.368 2.978 20 0 GFADRL CN(CC(=O)[O-])C(=O)c1nn(-c2c(Cl)cc(Cl)cc2Cl)cc1[O-] ZINC000818402366 596935544 /nfs/dbraw/zinc/93/55/44/596935544.db2.gz JCZQZBMROTWROH-UHFFFAOYSA-N -2 0 378.599 2.695 20 0 GFADRL Cc1cc(S(=O)(=O)Nc2ccccc2CC(=O)[O-])cc(C(=O)[O-])c1Cl ZINC000821046197 597420513 /nfs/dbraw/zinc/42/05/13/597420513.db2.gz ZRWHXZZNBWXNHZ-UHFFFAOYSA-N -2 0 383.809 2.775 20 0 GFADRL CCOCCOc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000737178022 599739418 /nfs/dbraw/zinc/73/94/18/599739418.db2.gz ZALSRQXSXWUION-UHFFFAOYSA-N -2 0 389.813 2.847 20 0 GFADRL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)ccc1C ZINC000737716567 599814224 /nfs/dbraw/zinc/81/42/24/599814224.db2.gz BSLKCOMOXAMBGI-UHFFFAOYSA-N -2 0 389.838 2.996 20 0 GFADRL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C(F)F)c1 ZINC000737718268 599815992 /nfs/dbraw/zinc/81/59/92/599815992.db2.gz PQVVEFWHEWHTBL-UHFFFAOYSA-N -2 0 391.373 2.971 20 0 GFADRL COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]c1ccc(CCC(=O)[O-])cc1 ZINC000737651098 599853359 /nfs/dbraw/zinc/85/33/59/599853359.db2.gz PBLXDXDPSRVAJW-UHFFFAOYSA-N -2 0 381.406 2.501 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)ccc1C(=O)NC(C)C ZINC000738463173 599908806 /nfs/dbraw/zinc/90/88/06/599908806.db2.gz AWTAAJSVLCCRHN-UHFFFAOYSA-N -2 0 394.424 2.771 20 0 GFADRL Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)ccc1C(=O)[O-] ZINC000476746789 599924930 /nfs/dbraw/zinc/92/49/30/599924930.db2.gz ZUZFNLZYYFLOSP-UHFFFAOYSA-N -2 0 375.402 2.681 20 0 GFADRL CC1=C(C(=O)[O-])[C@H](c2ccc(-n3cccn3)cc2)NC(=O)N1CCCCC(=O)[O-] ZINC000736747468 599989161 /nfs/dbraw/zinc/98/91/61/599989161.db2.gz SKKBCZGXRPYDNI-SFHVURJKSA-N -2 0 398.419 2.552 20 0 GFADRL Cc1cccc(Cn2nccc2[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)c1 ZINC000738721058 600056006 /nfs/dbraw/zinc/05/60/06/600056006.db2.gz IODVMFVFLFXBTN-UHFFFAOYSA-N -2 0 377.447 2.800 20 0 GFADRL Cc1cn(-c2ccccc2)nc1[N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)[O-] ZINC000738798464 600058392 /nfs/dbraw/zinc/05/83/92/600058392.db2.gz KXZYDBZXGUDZAB-UHFFFAOYSA-N -2 0 375.406 2.890 20 0 GFADRL O=C([O-])Nc1cc([N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)ccc1F ZINC000740011970 600101720 /nfs/dbraw/zinc/10/17/20/600101720.db2.gz HNXUCRMXZANZJR-UHFFFAOYSA-N -2 0 397.359 2.740 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2nc3nc(C)cc(C(=O)[O-])c3s2)cc1C ZINC000738069555 600102359 /nfs/dbraw/zinc/10/23/59/600102359.db2.gz KORRJKOSGRTOCV-UHFFFAOYSA-N -2 0 393.446 2.816 20 0 GFADRL C[C@@H](CNC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1)C(=O)[O-] ZINC000736600741 600119170 /nfs/dbraw/zinc/11/91/70/600119170.db2.gz XBVBAKDAIFPESL-NSHDSACASA-N -2 0 396.852 2.591 20 0 GFADRL CC[C@@H](CC(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000736892233 600130896 /nfs/dbraw/zinc/13/08/96/600130896.db2.gz LIQMBLVGLDHAMG-HNNXBMFYSA-N -2 0 375.446 2.915 20 0 GFADRL C[C@](NC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1)(C(=O)[O-])C1CC1 ZINC000539606800 600200057 /nfs/dbraw/zinc/20/00/57/600200057.db2.gz RPMSRMAGGGVYTF-QGZVFWFLSA-N -2 0 394.474 2.532 20 0 GFADRL CC(C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000736477594 600231452 /nfs/dbraw/zinc/23/14/52/600231452.db2.gz HYGLRQJOJVVWHE-UHFFFAOYSA-N -2 0 398.387 2.602 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])cc1OC1CCCC1 ZINC000738038045 600232068 /nfs/dbraw/zinc/23/20/68/600232068.db2.gz BDPQUCPZHBSEMY-UHFFFAOYSA-N -2 0 395.437 2.547 20 0 GFADRL CCOc1ccc([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])c(C(F)(F)F)c1 ZINC000737204409 600233810 /nfs/dbraw/zinc/23/38/10/600233810.db2.gz VZCZVYBLMXCUAF-UHFFFAOYSA-N -2 0 393.343 2.635 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccn(Cc3ccccc3)n2)c(F)cc1F ZINC000740089319 600234287 /nfs/dbraw/zinc/23/42/87/600234287.db2.gz DSWQGMVPVQTEOJ-UHFFFAOYSA-N -2 0 393.371 2.709 20 0 GFADRL O=C([O-])c1c[nH]c2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(F)cc3F)ccc12 ZINC000740089912 600236902 /nfs/dbraw/zinc/23/69/02/600236902.db2.gz NLYJTPHAYFINMY-UHFFFAOYSA-N -3 0 396.327 2.643 20 0 GFADRL COC(=O)N(C)Cc1ccc([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])cc1 ZINC000737631598 600300345 /nfs/dbraw/zinc/30/03/45/600300345.db2.gz OXPYZBMZMZLSRY-UHFFFAOYSA-N -2 0 396.421 2.594 20 0 GFADRL CCOC(=O)c1sc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cc1C ZINC000737157755 600512693 /nfs/dbraw/zinc/51/26/93/600512693.db2.gz XUEZXLMUCNVEKA-UHFFFAOYSA-N -2 0 383.447 2.661 20 0 GFADRL COc1ccc2nc(Cl)ccc2c1S(=O)(=O)[N-]c1cnccc1C(=O)[O-] ZINC000738080207 600514550 /nfs/dbraw/zinc/51/45/50/600514550.db2.gz XSRANSQBMDKWKD-UHFFFAOYSA-N -2 0 393.808 2.791 20 0 GFADRL CC(C)(C)c1nsc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)n1 ZINC000736306930 600576710 /nfs/dbraw/zinc/57/67/10/600576710.db2.gz YBWXZCXVZLCVPB-UHFFFAOYSA-N -2 0 375.859 2.988 20 0 GFADRL CC(C)[C@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000736357944 600658122 /nfs/dbraw/zinc/65/81/22/600658122.db2.gz DRVNUVXAWUENKL-KRWDZBQOSA-N -2 0 375.446 2.705 20 0 GFADRL COc1ccccc1-n1cc(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])cn1 ZINC000484555836 600675808 /nfs/dbraw/zinc/67/58/08/600675808.db2.gz LBFCOCZLXATXEX-UHFFFAOYSA-N -2 0 391.380 2.519 20 0 GFADRL CC(C)(C(=O)[O-])c1ccc(NS(=O)(=O)c2cc(F)ccc2C(=O)[O-])cc1 ZINC000736232740 600678610 /nfs/dbraw/zinc/67/86/10/600678610.db2.gz LPFJUABMVMTQFY-UHFFFAOYSA-N -2 0 381.381 2.687 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2NC(=O)C[C@H]2C=CCC2)c[nH]1 ZINC000592985913 600680508 /nfs/dbraw/zinc/68/05/08/600680508.db2.gz GWSUQXNXIJCDQP-LBPRGKRZSA-N -2 0 389.433 2.809 20 0 GFADRL Cc1cc(Oc2ccccc2)ccc1[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000832901450 600682970 /nfs/dbraw/zinc/68/29/70/600682970.db2.gz XRPATSHYQOVZPU-UHFFFAOYSA-N -2 0 387.417 2.869 20 0 GFADRL COC(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)s2)ccc1C(=O)[O-] ZINC000831327737 600689471 /nfs/dbraw/zinc/68/94/71/600689471.db2.gz NICRAILKMDGDRW-UHFFFAOYSA-N -2 0 375.811 2.687 20 0 GFADRL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccccc2OCC2CC2)cc1 ZINC000583233978 600694370 /nfs/dbraw/zinc/69/43/70/600694370.db2.gz KXHFOAADTWTJJD-UHFFFAOYSA-N -2 0 377.418 2.740 20 0 GFADRL Cn1cc(S(=O)(=O)[N-]c2cccc(COCc3ccco3)c2)cc1C(=O)[O-] ZINC000614840356 600812443 /nfs/dbraw/zinc/81/24/43/600812443.db2.gz CLQVQTXDQGKXIE-UHFFFAOYSA-N -2 0 390.417 2.834 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2ccnn2Cc2ccccc2F)cc1C(=O)[O-] ZINC000832956643 600828400 /nfs/dbraw/zinc/82/84/00/600828400.db2.gz MZTNLWGNQVJMSS-UHFFFAOYSA-N -2 0 389.408 2.878 20 0 GFADRL CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)c(F)c1 ZINC000608342217 600899362 /nfs/dbraw/zinc/89/93/62/600899362.db2.gz ZOEGFNZTPFBLGS-UHFFFAOYSA-N -2 0 394.424 2.947 20 0 GFADRL CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000829010017 600943419 /nfs/dbraw/zinc/94/34/19/600943419.db2.gz ZBZIHPKYPUIXFB-XYPHTWIQSA-N -2 0 397.493 2.705 20 0 GFADRL Cc1ccc(-n2[n-]c(C(=O)N3C[C@@H](C4CCCCC4)C[C@@H]3C(=O)[O-])cc2=O)cc1 ZINC000832909741 600979489 /nfs/dbraw/zinc/97/94/89/600979489.db2.gz ITNFKBQEWZDHDQ-QFBILLFUSA-N -2 0 397.475 2.970 20 0 GFADRL O=C([O-])Nc1cccc([N-]S(=O)(=O)c2cnn(-c3ccccc3F)c2)c1 ZINC000740039975 601047646 /nfs/dbraw/zinc/04/76/46/601047646.db2.gz BKIYSMVIVLMMGI-UHFFFAOYSA-N -2 0 376.369 2.902 20 0 GFADRL C[C@H](C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)c1ccc(Cl)s1 ZINC000826009243 601141955 /nfs/dbraw/zinc/14/19/55/601141955.db2.gz UJHMIOOQTJDPRO-LURJTMIESA-N -2 0 379.868 2.770 20 0 GFADRL O=C([O-])c1ccc(Br)c(S(=O)(=O)[N-]c2n[nH]c3ccccc32)c1 ZINC000738678305 601200644 /nfs/dbraw/zinc/20/06/44/601200644.db2.gz GKTQMMMMUWKHIZ-UHFFFAOYSA-N -2 0 396.222 2.824 20 0 GFADRL CCc1ccc([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2OC)c(C(=O)[O-])c1 ZINC000830253677 601203395 /nfs/dbraw/zinc/20/33/95/601203395.db2.gz LIONISPKWHHPEK-UHFFFAOYSA-N -3 0 385.419 2.516 20 0 GFADRL CCOc1ccc(OC)cc1[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC000830088651 601203674 /nfs/dbraw/zinc/20/36/74/601203674.db2.gz FZJPODYPVATOPK-UHFFFAOYSA-N -2 0 387.435 2.663 20 0 GFADRL O=C([O-])c1sc2ccccc2c1S(=O)(=O)[N-]c1ccn(CC(F)F)n1 ZINC000833347816 601206144 /nfs/dbraw/zinc/20/61/44/601206144.db2.gz UZULXHMBZBUNIK-UHFFFAOYSA-N -2 0 387.389 2.862 20 0 GFADRL COc1ccc(Br)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)c1 ZINC000832143026 601232959 /nfs/dbraw/zinc/23/29/59/601232959.db2.gz HOXBZFWSXVSMOX-UHFFFAOYSA-N -2 0 390.211 2.858 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2cc(C[S@](C)=O)ccc2Cl)cc1C(=O)[O-] ZINC000833027875 601233909 /nfs/dbraw/zinc/23/39/09/601233909.db2.gz ZFSQKRZVSRTLIQ-QHCPKHFHSA-N -2 0 391.854 2.619 20 0 GFADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2)n1 ZINC000769515223 601271392 /nfs/dbraw/zinc/27/13/92/601271392.db2.gz BJILHCXWYDVVAQ-HNNXBMFYSA-N -2 0 383.379 2.971 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)c1C ZINC000736421524 601331563 /nfs/dbraw/zinc/33/15/63/601331563.db2.gz VQGUQWSCXAOTJH-CQSZACIVSA-N -2 0 389.429 2.769 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-c2nnc(C)o2)cc1 ZINC000740700966 601333022 /nfs/dbraw/zinc/33/30/22/601333022.db2.gz OTIYMLSIWBBGCO-UHFFFAOYSA-N -2 0 389.389 2.553 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)cc2-c2nc(C3CC3)no2)c[nH]1 ZINC000476430908 601335217 /nfs/dbraw/zinc/33/52/17/601335217.db2.gz RFIRMUBUHQZXCW-UHFFFAOYSA-N -2 0 392.368 2.580 20 0 GFADRL CCCn1c2ccccc2nc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1OC ZINC000829579508 601359739 /nfs/dbraw/zinc/35/97/39/601359739.db2.gz ICNRAAVXXNWRGD-UHFFFAOYSA-N -2 0 389.433 2.954 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccnn2Cc2ccccc2F)ccc1F ZINC000738678929 601359955 /nfs/dbraw/zinc/35/99/55/601359955.db2.gz QMUKEMHFCLWDTH-UHFFFAOYSA-N -2 0 393.371 2.709 20 0 GFADRL CCOC(=O)c1sc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)cc1C ZINC000013195118 601361042 /nfs/dbraw/zinc/36/10/42/601361042.db2.gz BOTSNLVLBHPKRT-UHFFFAOYSA-N -2 0 399.446 2.741 20 0 GFADRL Cc1oc(CN(C)C(=O)c2nn(-c3cc(C)ccc3F)cc2[O-])cc1C(=O)[O-] ZINC000832935721 601385927 /nfs/dbraw/zinc/38/59/27/601385927.db2.gz KXSSQBYPSNAJQC-UHFFFAOYSA-N -2 0 387.367 2.897 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)n(-c2cccc(Cl)c2)n1 ZINC000832898900 601402534 /nfs/dbraw/zinc/40/25/34/601402534.db2.gz YCHHNMAHSVZXST-UHFFFAOYSA-N -2 0 380.813 2.661 20 0 GFADRL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000532292515 601488308 /nfs/dbraw/zinc/48/83/08/601488308.db2.gz ZKPVGLJTLSIYDI-UHFFFAOYSA-N -3 0 393.417 2.520 20 0 GFADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)[N-]c2cccc3ccncc32)c1 ZINC000831368376 601492369 /nfs/dbraw/zinc/49/23/69/601492369.db2.gz CKFLAVDNPDNULC-UHFFFAOYSA-N -2 0 386.385 2.520 20 0 GFADRL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1cnn(-c2ccccc2F)c1 ZINC000833318057 601492594 /nfs/dbraw/zinc/49/25/94/601492594.db2.gz DWDPAMZUWOOWMJ-UHFFFAOYSA-N -2 0 379.344 2.650 20 0 GFADRL Cc1cc(Br)ncc1[N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000832859719 601576602 /nfs/dbraw/zinc/57/66/02/601576602.db2.gz UODQDVRQYXNSQQ-UHFFFAOYSA-N -2 0 389.202 2.791 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cc(-c2ccccc2)[nH]n1 ZINC000831939591 601605576 /nfs/dbraw/zinc/60/55/76/601605576.db2.gz QPFHIPFARFFOMF-UHFFFAOYSA-N -2 0 379.419 2.646 20 0 GFADRL C[C@@H](CS(=O)(=O)Nc1ccc(Oc2ccccc2)cc1C(=O)[O-])C(=O)[O-] ZINC000827571883 601614961 /nfs/dbraw/zinc/61/49/61/601614961.db2.gz VDBRAPATOQGNLU-NSHDSACASA-N -2 0 379.390 2.640 20 0 GFADRL Cn1cc([N-]S(=O)(=O)c2cc(Br)c(F)cc2F)cc1C(=O)[O-] ZINC000833051240 601784907 /nfs/dbraw/zinc/78/49/07/601784907.db2.gz QMSHXESGCRZORB-UHFFFAOYSA-N -2 0 395.181 2.565 20 0 GFADRL NC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000032095138 601827334 /nfs/dbraw/zinc/82/73/34/601827334.db2.gz APLOPEHJUGGQMS-UHFFFAOYSA-N -2 0 389.216 2.591 20 0 GFADRL CC(C)CC(=O)Nc1ccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC000826754459 601833155 /nfs/dbraw/zinc/83/31/55/601833155.db2.gz OFXPZMLBWZTJNR-UHFFFAOYSA-N -2 0 383.451 2.627 20 0 GFADRL Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3csnc3C(=O)[O-])cc2F)n1 ZINC000832881160 601837000 /nfs/dbraw/zinc/83/70/00/601837000.db2.gz ZBUGZMPAYVZQFU-UHFFFAOYSA-N -2 0 396.425 2.584 20 0 GFADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ccccc1OC[C@@H]1CCCCO1 ZINC000833345399 601838205 /nfs/dbraw/zinc/83/82/05/601838205.db2.gz AUQJLKZQYJRFSK-NSHDSACASA-N -2 0 398.462 2.590 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])n(-c2ccccc2F)n1 ZINC000832900054 601847697 /nfs/dbraw/zinc/84/76/97/601847697.db2.gz ZTHWHDXBMMECGP-UHFFFAOYSA-N -2 0 393.371 2.958 20 0 GFADRL Cc1cc(C(=O)[O-])c2sc([N-]S(=O)(=O)CCc3ccccc3)nc2n1 ZINC000832866245 601847963 /nfs/dbraw/zinc/84/79/63/601847963.db2.gz BMKPWYAQNBHKKP-UHFFFAOYSA-N -2 0 377.447 2.682 20 0 GFADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccccc1O[C@H]1CCOC1 ZINC000268669457 601853607 /nfs/dbraw/zinc/85/36/07/601853607.db2.gz ZNLQIISRWREEOP-ZDUSSCGKSA-N -2 0 377.418 2.662 20 0 GFADRL COc1cc(OC)c([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])cc1Cl ZINC000832034372 601856954 /nfs/dbraw/zinc/85/69/54/601856954.db2.gz WLZPNOVSUPMAHM-UHFFFAOYSA-N -2 0 389.788 2.995 20 0 GFADRL Cc1nc(C)n(-c2ccccc2[N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)n1 ZINC000832995791 601989842 /nfs/dbraw/zinc/98/98/42/601989842.db2.gz KHJKLAOJMJPLQD-FMIVXFBMSA-N -2 0 398.444 2.783 20 0 GFADRL Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1nnc(CCCC(=O)[O-])s1 ZINC000832887060 602105232 /nfs/dbraw/zinc/10/52/32/602105232.db2.gz VXPFOINLBNADTB-UHFFFAOYSA-N -2 0 375.859 2.708 20 0 GFADRL Cc1cc(S(=O)(=O)Nc2ccc(OCCC(=O)[O-])cc2)cc(C(=O)[O-])c1C ZINC000507569021 602112755 /nfs/dbraw/zinc/11/27/55/602112755.db2.gz PVZYGPARDIQOSM-UHFFFAOYSA-N -2 0 393.417 2.656 20 0 GFADRL O=C([O-])c1nscc1[N-]S(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000833346289 602156033 /nfs/dbraw/zinc/15/60/33/602156033.db2.gz HVHCKWBYPFPJAU-UHFFFAOYSA-N -2 0 382.341 2.583 20 0 GFADRL COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)CCN2C(=O)[O-] ZINC000739776676 602245781 /nfs/dbraw/zinc/24/57/81/602245781.db2.gz ALUFXTQGXUJIEE-UHFFFAOYSA-N -2 0 394.405 2.524 20 0 GFADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2cc(CCc3ccccc3)[nH]n2)c1 ZINC000833344270 602307227 /nfs/dbraw/zinc/30/72/27/602307227.db2.gz JGCKPJQKSKZESX-UHFFFAOYSA-N -2 0 377.447 2.755 20 0 GFADRL O=C([O-])c1cc(Br)ccc1S(=O)(=O)[N-]c1cc(F)ccc1O ZINC000833296138 602308955 /nfs/dbraw/zinc/30/89/55/602308955.db2.gz TVPXXARWBKDUHK-UHFFFAOYSA-N -2 0 390.186 2.793 20 0 GFADRL COc1ccccc1-n1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)cn1 ZINC000533169946 602322584 /nfs/dbraw/zinc/32/25/84/602322584.db2.gz LSQGEBZLWCTNAA-UHFFFAOYSA-N -2 0 391.380 2.519 20 0 GFADRL Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[O-])cc2)c(C)c1OCC(=O)[O-] ZINC000738296007 602644942 /nfs/dbraw/zinc/64/49/42/602644942.db2.gz URCWAFAKCVDTAF-UHFFFAOYSA-N -2 0 394.405 2.658 20 0 GFADRL O=C([O-])NCc1ccc2c(c1)CCCN2C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000740674826 602646661 /nfs/dbraw/zinc/64/66/61/602646661.db2.gz DNDGHFGKERNLLN-UHFFFAOYSA-N -2 0 377.400 2.889 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]C(=O)CC[C@@H](NC(=O)[O-])c2ccccc2)cc1C ZINC000740146365 602669998 /nfs/dbraw/zinc/66/99/98/602669998.db2.gz FPZYJOILDZWSMF-QGZVFWFLSA-N -2 0 390.461 2.897 20 0 GFADRL Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000740233335 603314893 /nfs/dbraw/zinc/31/48/93/603314893.db2.gz KZAROKZACPYVOV-UHFFFAOYSA-N -2 0 389.799 2.725 20 0 GFADRL CN(C(=O)[O-])[C@@H]1CCN(C(=O)c2cc(Br)cc(Cl)c2[O-])C1 ZINC000827865869 603606079 /nfs/dbraw/zinc/60/60/79/603606079.db2.gz YQGRJSSVCJAFNZ-MRVPVSSYSA-N -2 0 377.622 2.632 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)[C@H](NC(=O)[O-])c2ccccc2)c(C)c1 ZINC000830413882 604208803 /nfs/dbraw/zinc/20/88/03/604208803.db2.gz BYWDAUOQVMDXFR-PBHICJAKSA-N -2 0 390.461 2.753 20 0 GFADRL Cc1ccc(C(=O)[N-]S(=O)(=O)c2cccc3ncccc32)cc1NC(=O)[O-] ZINC000830231044 604252864 /nfs/dbraw/zinc/25/28/64/604252864.db2.gz YNKIDXBTIPDVSI-UHFFFAOYSA-N -2 0 385.401 2.752 20 0 GFADRL C[C@@H](CC(=O)[N-]S(=O)(=O)c1cccc(Cl)c1)C1CCN(C(=O)[O-])CC1 ZINC000824679333 604383173 /nfs/dbraw/zinc/38/31/73/604383173.db2.gz JKCDBLBAYWUJMP-NSHDSACASA-N -2 0 388.873 2.561 20 0 GFADRL O=C([O-])C[C@H]1CCCN1c1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)cn1 ZINC000833211082 604470666 /nfs/dbraw/zinc/47/06/66/604470666.db2.gz ASMKHLUAHYONQU-CQSZACIVSA-N -2 0 397.403 2.604 20 0 GFADRL CC(C)(C(=O)[O-])c1ccc(NS(=O)(=O)c2ccc(F)cc2C(=O)[O-])cc1 ZINC000833418772 604745016 /nfs/dbraw/zinc/74/50/16/604745016.db2.gz NRTDZEBHWAJOGY-UHFFFAOYSA-N -2 0 381.381 2.687 20 0 GFADRL O=C([O-])CSCc1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000833264133 604768667 /nfs/dbraw/zinc/76/86/67/604768667.db2.gz YHMSMGJEIKEXRU-UHFFFAOYSA-N -2 0 399.421 2.643 20 0 GFADRL O=C([O-])CCCOc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000833227306 604771862 /nfs/dbraw/zinc/77/18/62/604771862.db2.gz GCCGOUVOEGOGCA-UHFFFAOYSA-N -2 0 397.380 2.568 20 0 GFADRL O=C([O-])COc1ccc(NC(=O)CSc2n[n-]c(=S)s2)cc1Cl ZINC000833254264 604960521 /nfs/dbraw/zinc/96/05/21/604960521.db2.gz KWGCUTXTOQGDGU-UHFFFAOYSA-N -2 0 391.883 2.674 20 0 GFADRL CCc1nc(NC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])sc1C(=O)[O-] ZINC000833676043 605008990 /nfs/dbraw/zinc/00/89/90/605008990.db2.gz XWJAVUTYGLOHBF-UHFFFAOYSA-N -2 0 376.369 2.686 20 0 GFADRL CC1(C)Cc2nc([N-]S(=O)(=O)c3cc(F)cc(C(=O)[O-])c3)sc2C(=O)C1 ZINC000833555684 605168000 /nfs/dbraw/zinc/16/80/00/605168000.db2.gz FVBWQCQEZKKAIP-UHFFFAOYSA-N -2 0 398.437 2.936 20 0 GFADRL CC(=O)N(Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cc1)C(C)C ZINC000833389102 605187120 /nfs/dbraw/zinc/18/71/20/605187120.db2.gz FIEJNEVTIHUVEW-UHFFFAOYSA-N -2 0 380.422 2.536 20 0 GFADRL Cc1cnn(-c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2c(F)cccc2F)c1 ZINC000833753899 605189906 /nfs/dbraw/zinc/18/99/06/605189906.db2.gz BMSLDDPXVKHJQX-UHFFFAOYSA-N -2 0 393.371 2.958 20 0 GFADRL CCc1nc([N-]S(=O)(=O)c2c(C)nn(CC(C)C)c2C)sc1C(=O)[O-] ZINC000833675829 605344563 /nfs/dbraw/zinc/34/45/63/605344563.db2.gz UERHAMQHBHDYQE-UHFFFAOYSA-N -2 0 386.499 2.674 20 0 GFADRL O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2C(=O)c1cccc(Br)c1[O-] ZINC000834162453 605657646 /nfs/dbraw/zinc/65/76/46/605657646.db2.gz XJIZLWIQPQSVKN-FGWVZKOKSA-N -2 0 383.242 2.948 20 0 GFADRL O=C([O-])N1CCc2ncc([N-]S(=O)(=O)c3cc(F)ccc3Cl)cc2C1 ZINC000834122034 605878571 /nfs/dbraw/zinc/87/85/71/605878571.db2.gz XABQHGJVXHGNMR-UHFFFAOYSA-N -2 0 385.804 2.711 20 0 GFADRL O=C([O-])C[C@@H](NC(=O)C[C@@H](NC(=O)[O-])c1ccccc1)c1ccc(F)cc1F ZINC000834061349 606068153 /nfs/dbraw/zinc/06/81/53/606068153.db2.gz UBCKZLDVHMOQDD-HZPDHXFCSA-N -2 0 392.358 2.996 20 0 GFADRL O=C([O-])COc1ccc(NC(=O)[C@H](CNC(=O)[O-])c2ccccc2)cc1Cl ZINC000834065648 606070279 /nfs/dbraw/zinc/07/02/79/606070279.db2.gz OEQFIDKQRRMYCW-CYBMUJFWSA-N -2 0 392.795 2.793 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2cnc3c(c2)C[C@H](NC(=O)[O-])CC3)sc1C ZINC000833901145 606078322 /nfs/dbraw/zinc/07/83/22/606078322.db2.gz KUEKQLUCXFZXRV-GFCCVEGCSA-N -2 0 381.479 2.686 20 0 GFADRL CSCc1cc(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)ccc1F ZINC000832766563 660799339 /nfs/dbraw/zinc/79/93/39/660799339.db2.gz DRYKEMQQAASXKV-UHFFFAOYSA-N -2 0 389.451 2.567 20 0 GFADRL CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000032630039 654606404 /nfs/dbraw/zinc/60/64/04/654606404.db2.gz OUFJHBROXVWENK-UHFFFAOYSA-N -2 0 382.825 2.589 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cnn(CC(F)F)c2)c1Cl ZINC000156338133 655091477 /nfs/dbraw/zinc/09/14/77/655091477.db2.gz KYRVESSMQOTTFK-UHFFFAOYSA-N -2 0 379.772 2.609 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cnc1Br ZINC000181175327 655333404 /nfs/dbraw/zinc/33/34/04/655333404.db2.gz SNSZGJWCLIKRFK-UHFFFAOYSA-N -2 0 388.199 2.567 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2C)sc1C(=O)[O-] ZINC000265287085 655480499 /nfs/dbraw/zinc/48/04/99/655480499.db2.gz UCEBJCRCIPHFCY-QHCPKHFHSA-N -2 0 387.504 2.742 20 0 GFADRL O=C([O-])[C@H](CCSc1ccccc1)[N-]S(=O)(=O)c1c(F)cccc1F ZINC000579173779 655495234 /nfs/dbraw/zinc/49/52/34/655495234.db2.gz DWPDXJBZHQZQGE-AWEZNQCLSA-N -2 0 387.429 2.879 20 0 GFADRL CSCC[C@H](NS(=O)(=O)c1nc(C)sc1-c1ccccc1)C(=O)[O-] ZINC000596031977 655513835 /nfs/dbraw/zinc/51/38/35/655513835.db2.gz IMZNRBTUCNPLBA-LBPRGKRZSA-N -2 0 386.520 2.603 20 0 GFADRL CCCn1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Br)c2)cn1 ZINC000747616650 655780643 /nfs/dbraw/zinc/78/06/43/655780643.db2.gz PFTLHTJENZBUAF-UHFFFAOYSA-N -2 0 388.243 2.555 20 0 GFADRL NC(=O)c1sccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000765099920 656131759 /nfs/dbraw/zinc/13/17/59/656131759.db2.gz MXCVRZYQOXVHSJ-UHFFFAOYSA-N -2 0 395.245 2.653 20 0 GFADRL COC(=O)c1csc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)c1C ZINC000776281918 656726869 /nfs/dbraw/zinc/72/68/69/656726869.db2.gz KZNRPVKWDLSHDK-UHFFFAOYSA-N -2 0 387.410 2.790 20 0 GFADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000776521000 656750507 /nfs/dbraw/zinc/75/05/07/656750507.db2.gz SKHVLQAJOZANHA-RCOVLWMOSA-N -2 0 379.278 2.701 20 0 GFADRL O=C([O-])[C@H](CC1CCCC1)[N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000776633068 656772444 /nfs/dbraw/zinc/77/24/44/656772444.db2.gz UPKVRPCZNFOGGD-ZETCQYMHSA-N -2 0 387.326 2.694 20 0 GFADRL CCc1onc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)c(Cl)c1F ZINC000779841654 656948861 /nfs/dbraw/zinc/94/88/61/656948861.db2.gz IFVZEOPLEKQDIW-UHFFFAOYSA-N -2 0 380.756 2.976 20 0 GFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2cnn(C)c2C(F)F)cc1C(=O)[O-] ZINC000790397820 657967731 /nfs/dbraw/zinc/96/77/31/657967731.db2.gz FEWSPENAKCQLQM-UHFFFAOYSA-N -2 0 395.771 2.519 20 0 GFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cc2O)cc1C(=O)[O-] ZINC000790398626 657968172 /nfs/dbraw/zinc/96/81/72/657968172.db2.gz JSDTXFVJOPCZRA-UHFFFAOYSA-N -2 0 375.761 2.692 20 0 GFADRL CNC(=O)Oc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC000793463115 658398101 /nfs/dbraw/zinc/39/81/01/658398101.db2.gz BWENDWAKMPWGSZ-UHFFFAOYSA-N -2 0 384.797 2.557 20 0 GFADRL C[C@H]1CCN(C(=O)c2cccc(Cl)c2[O-])[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000813636122 660058601 /nfs/dbraw/zinc/05/86/01/660058601.db2.gz NMPBIGMWOUZVFD-AUTRQRHGSA-N -2 0 378.778 2.963 20 0 GFADRL O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1cc(F)ccc1Cl ZINC000852732707 661872411 /nfs/dbraw/zinc/87/24/11/661872411.db2.gz GKAMBJCNRWSPLP-NWDGAFQWSA-N -2 0 382.741 2.575 20 0 GFADRL O=C([O-])CC1(C(=O)[N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CCC1 ZINC000863957499 662351017 /nfs/dbraw/zinc/35/10/17/662351017.db2.gz AGPXPNROGFYZOR-UHFFFAOYSA-N -2 0 399.774 2.809 20 0 GFADRL O=C([O-])c1ccc(N2CCN(C(=O)c3cc(F)c([O-])c(Cl)c3)CC2)s1 ZINC000911767487 664256077 /nfs/dbraw/zinc/25/60/77/664256077.db2.gz YOWYPBQQZUUZCI-UHFFFAOYSA-N -2 0 384.816 2.907 20 0 GFADRL COc1ccc(C(=O)[O-])c(NS(=O)(=O)c2cccc(Br)c2)c1 ZINC000143264934 551395448 /nfs/dbraw/zinc/39/54/48/551395448.db2.gz ALPSVIQFSKPZMT-UHFFFAOYSA-N -2 0 386.223 2.957 20 0 GFADRL CS(=O)(=O)[N-]c1cc(F)ccc1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000179767293 552202652 /nfs/dbraw/zinc/20/26/52/552202652.db2.gz ALYGKCMMKDKUCX-UHFFFAOYSA-N -2 0 396.824 2.791 20 0 GFADRL CC(C)n1ccc([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)n1 ZINC000281173946 563368588 /nfs/dbraw/zinc/36/85/88/563368588.db2.gz QBMKZMPWZALQAG-UHFFFAOYSA-N -2 0 394.272 2.787 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c(C(F)(F)F)c1 ZINC000326749660 563455711 /nfs/dbraw/zinc/45/57/11/563455711.db2.gz IHPABAZQYOUXIF-UHFFFAOYSA-N -2 0 378.328 2.552 20 0 GFADRL CCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000327791549 563459988 /nfs/dbraw/zinc/45/99/88/563459988.db2.gz CTSLEHIRXARCGS-UHFFFAOYSA-N -2 0 382.825 2.589 20 0 GFADRL COc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)ccc1C(=O)[O-] ZINC000432779091 563593258 /nfs/dbraw/zinc/59/32/58/563593258.db2.gz JCMWDQPPTQYOSE-UHFFFAOYSA-N -3 0 385.781 2.546 20 0 GFADRL CC(=O)Nc1ccc(Cl)c(NS(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])c1 ZINC000433497317 563614529 /nfs/dbraw/zinc/61/45/29/563614529.db2.gz JNGQVARGXOYNLA-UHFFFAOYSA-N -2 0 384.797 2.503 20 0 GFADRL O=C(N=c1nc(-c2cccnc2)[n-]s1)c1cc(F)cc(Br)c1[O-] ZINC000436864566 563683231 /nfs/dbraw/zinc/68/32/31/563683231.db2.gz OAMKQKHZSGPNLO-UHFFFAOYSA-N -2 0 395.213 2.882 20 0 GFADRL O=S(=O)(Nc1ccc(-c2nn[nH]n2)cc1)c1ccc(F)c(Br)c1 ZINC000438748974 563709840 /nfs/dbraw/zinc/70/98/40/563709840.db2.gz ACQODNNSVRDMNW-UHFFFAOYSA-N -2 0 398.217 2.569 20 0 GFADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(Cl)c1C(N)=O ZINC000438761254 563710153 /nfs/dbraw/zinc/71/01/53/563710153.db2.gz NWKUJXGMYNEBFN-UHFFFAOYSA-N -2 0 382.825 2.500 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(-c2cccs2)[nH]n1 ZINC000444429398 563831903 /nfs/dbraw/zinc/83/19/03/563831903.db2.gz KXYNFBHLYKAVGV-UHFFFAOYSA-N -2 0 379.419 2.646 20 0 GFADRL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2O)cc1F ZINC000471950379 564208235 /nfs/dbraw/zinc/20/82/35/564208235.db2.gz FGDPGKYXKZRLGW-UHFFFAOYSA-N -2 0 393.751 2.588 20 0 GFADRL O=S(=O)([N-]c1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)c1cccs1 ZINC000539554708 564222601 /nfs/dbraw/zinc/22/26/01/564222601.db2.gz HJGIYLZIIXZEQL-UHFFFAOYSA-N -2 0 395.487 2.745 20 0 GFADRL Cc1nc(C)c(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2C(=O)[O-])s1 ZINC000540455960 564248644 /nfs/dbraw/zinc/24/86/44/564248644.db2.gz FDPQDFLIBOLDRA-UHFFFAOYSA-N -2 0 381.479 2.859 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2cc(Br)c(C)c(C(=O)[O-])c2)cn1 ZINC000507949407 564249128 /nfs/dbraw/zinc/24/91/28/564249128.db2.gz MLXQUXRSFAAGEJ-UHFFFAOYSA-N -2 0 385.239 2.960 20 0 GFADRL CNC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000477414788 564375832 /nfs/dbraw/zinc/37/58/32/564375832.db2.gz HBTQOZINLNCZCQ-UHFFFAOYSA-N -2 0 382.825 2.507 20 0 GFADRL Cn1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2OCC(F)F)cc1C(=O)[O-] ZINC000568317577 564414020 /nfs/dbraw/zinc/41/40/20/564414020.db2.gz AQNBQSGQHYRUCN-UHFFFAOYSA-N -2 0 394.783 2.821 20 0 GFADRL COC[C@@H](C)n1ccc([N-]S(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)n1 ZINC000479230569 564432064 /nfs/dbraw/zinc/43/20/64/564432064.db2.gz FLPNDFURSFNYQY-SECBINFHSA-N -2 0 387.845 2.551 20 0 GFADRL COC(=O)[C@@H](C)Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC000546072952 564443178 /nfs/dbraw/zinc/44/31/78/564443178.db2.gz BIKKMMYHQSNKDD-JTQLQIEISA-N -2 0 383.447 2.599 20 0 GFADRL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]c1cccc(Cl)c1C(=O)[O-] ZINC000547542201 564492807 /nfs/dbraw/zinc/49/28/07/564492807.db2.gz VVSXNXJXBDALGM-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL COc1cc(S(=O)(=O)[N-]c2ccc(F)cc2O)c(Cl)cc1C(=O)[O-] ZINC000481614988 564517863 /nfs/dbraw/zinc/51/78/63/564517863.db2.gz MKVQMYHMDBDUFL-UHFFFAOYSA-N -2 0 375.761 2.692 20 0 GFADRL COC(=O)c1csc(S(=O)(=O)[N-]c2ccc3c(c2)[nH]cc3C(=O)[O-])c1 ZINC000520333815 564601698 /nfs/dbraw/zinc/60/16/98/564601698.db2.gz DPZOZCCHHUGRAV-UHFFFAOYSA-N -2 0 380.403 2.515 20 0 GFADRL O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)c1ccc(Br)c([O-])c1 ZINC000485196800 564608997 /nfs/dbraw/zinc/60/89/97/564608997.db2.gz ZFUPVFWVOBALOO-UHFFFAOYSA-N -2 0 376.166 2.750 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2O)c(C)c1OCC(=O)[O-] ZINC000522959737 564660518 /nfs/dbraw/zinc/66/05/18/564660518.db2.gz LFHPHENHKSZTEQ-UHFFFAOYSA-N -2 0 385.825 2.927 20 0 GFADRL COC(=O)c1csc([N-]S(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)c1 ZINC000526042696 564717119 /nfs/dbraw/zinc/71/71/19/564717119.db2.gz VAOGIKXUTBSVPY-UHFFFAOYSA-N -2 0 389.838 2.996 20 0 GFADRL CCn1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2O)cc1C(=O)[O-] ZINC000554831340 564774531 /nfs/dbraw/zinc/77/45/31/564774531.db2.gz JJZZWZYJIOMYNF-UHFFFAOYSA-N -2 0 378.328 2.731 20 0 GFADRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000505127668 565049557 /nfs/dbraw/zinc/04/95/57/565049557.db2.gz FEIWZBYIJBBAPF-UHFFFAOYSA-N -3 0 385.781 2.546 20 0 GFADRL COc1ccc(O)c(S(=O)(=O)[N-]c2cnn(CC(C)C)c2C(F)F)c1 ZINC000537195192 565054615 /nfs/dbraw/zinc/05/46/15/565054615.db2.gz IDRPXKINZSXCRJ-UHFFFAOYSA-N -2 0 375.397 2.992 20 0 GFADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000591681315 565236416 /nfs/dbraw/zinc/23/64/16/565236416.db2.gz JDOZLGMWQKKRKO-UHFFFAOYSA-N -2 0 375.811 2.907 20 0 GFADRL COc1ncc(S(=O)(=O)[N-]c2ccccc2CCCC(=O)[O-])cc1Cl ZINC000650418799 565819106 /nfs/dbraw/zinc/81/91/06/565819106.db2.gz FXEOLRRAWOWZSN-UHFFFAOYSA-N -2 0 384.841 2.952 20 0 GFADRL O=C(N=c1nc(C2CCOCC2)[n-]s1)c1cc(Br)ccc1[O-] ZINC000629100776 565823502 /nfs/dbraw/zinc/82/35/02/565823502.db2.gz PQGCZQQQPTVEMD-UHFFFAOYSA-N -2 0 384.255 2.574 20 0 GFADRL CC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cc1 ZINC000676076031 565925701 /nfs/dbraw/zinc/92/57/01/565925701.db2.gz PMHVLXDCQWGQGY-UHFFFAOYSA-N -2 0 382.825 2.822 20 0 GFADRL COc1ncccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000677233619 565965308 /nfs/dbraw/zinc/96/53/08/565965308.db2.gz JMLAPNGQFLQGOX-UHFFFAOYSA-N -2 0 376.312 2.608 20 0 GFADRL CC(C)[C@H](CNC(=O)N=c1[n-]nc(SCc2ccccc2)s1)C(=O)[O-] ZINC000653534319 565971405 /nfs/dbraw/zinc/97/14/05/565971405.db2.gz GZKXRUSHZNIATN-LBPRGKRZSA-N -2 0 380.495 2.731 20 0 GFADRL COc1cc(F)c(S(=O)(=O)[N-]c2c(F)ccc(C)c2C(=O)[O-])c(F)c1 ZINC000677745719 565981952 /nfs/dbraw/zinc/98/19/52/565981952.db2.gz ACRCUALYAXRMEU-UHFFFAOYSA-N -2 0 375.324 2.920 20 0 GFADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC000656643727 566153275 /nfs/dbraw/zinc/15/32/75/566153275.db2.gz KBCCOABOQRRAAI-LLVKDONJSA-N -2 0 381.431 2.522 20 0 GFADRL COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2CC(=O)[O-])c1 ZINC000392926633 597312885 /nfs/dbraw/zinc/31/28/85/597312885.db2.gz CXGBXVIULPHQAM-UHFFFAOYSA-N -2 0 383.809 2.555 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1OCC(F)(F)F ZINC000738042493 599737767 /nfs/dbraw/zinc/73/77/67/599737767.db2.gz XTBFQMCXEPGEMQ-UHFFFAOYSA-N -2 0 395.311 2.728 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3[nH]c([C@@H]4CCCO4)nc3c2)o1 ZINC000740187456 599738982 /nfs/dbraw/zinc/73/89/82/599738982.db2.gz LLVZFKIZFAHLER-LBPRGKRZSA-N -2 0 377.378 2.506 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)c(OC)c2C)c(C(=O)[O-])s1 ZINC000737681437 599813484 /nfs/dbraw/zinc/81/34/84/599813484.db2.gz QTFHHKKOYAQWCI-UHFFFAOYSA-N -2 0 399.446 2.659 20 0 GFADRL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2scnc2c1 ZINC000737718402 599816057 /nfs/dbraw/zinc/81/60/57/599816057.db2.gz RLUWGHUQCWBXHD-UHFFFAOYSA-N -2 0 398.443 2.643 20 0 GFADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)[N-]c2cccc3cccnc32)c1 ZINC000737681542 599874183 /nfs/dbraw/zinc/87/41/83/599874183.db2.gz JSDZOBHAABVHCE-UHFFFAOYSA-N -2 0 386.385 2.520 20 0 GFADRL CCCn1nccc1[N-]S(=O)(=O)c1ccc(Br)cc1C(=O)[O-] ZINC000737052114 600056001 /nfs/dbraw/zinc/05/60/01/600056001.db2.gz WXTGWEWMJFANKR-UHFFFAOYSA-N -2 0 388.243 2.555 20 0 GFADRL CCOc1cc([N-]S(=O)(=O)c2cc(C(=O)OC)sc2C(=O)[O-])ccc1C ZINC000737192012 600100170 /nfs/dbraw/zinc/10/01/70/600100170.db2.gz NPOIILOFBPBYJZ-UHFFFAOYSA-N -2 0 399.446 2.741 20 0 GFADRL Cc1cc(C(=O)[O-])c2sc([N-]S(=O)(=O)c3ccc(F)c(C)c3)nc2n1 ZINC000738346398 600102536 /nfs/dbraw/zinc/10/25/36/600102536.db2.gz TWXVEFJMWVFNNA-UHFFFAOYSA-N -2 0 381.410 2.946 20 0 GFADRL Cc1cccc(C[C@@H](CNC(=O)c2nn(-c3ccccc3F)cc2[O-])C(=O)[O-])c1 ZINC000738708597 600103605 /nfs/dbraw/zinc/10/36/05/600103605.db2.gz ZLVOUDHLLSTDAA-HNNXBMFYSA-N -2 0 397.406 2.699 20 0 GFADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(F)c2)c1 ZINC000740143685 600179807 /nfs/dbraw/zinc/17/98/07/600179807.db2.gz GZGYFNULZSNWFD-UHFFFAOYSA-N -2 0 379.344 2.650 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(NC(=O)C3CC3)cc2)c(F)cc1F ZINC000740090596 600231556 /nfs/dbraw/zinc/23/15/56/600231556.db2.gz YYOIHCQQNFQWNW-UHFFFAOYSA-N -2 0 396.371 2.812 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnn(-c3ccccc3)c2)c(F)cc1F ZINC000740090570 600234373 /nfs/dbraw/zinc/23/43/73/600234373.db2.gz XVTWMAIRLQNNNH-UHFFFAOYSA-N -2 0 379.344 2.650 20 0 GFADRL Cc1c(C[S@](C)=O)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000738292066 600254920 /nfs/dbraw/zinc/25/49/20/600254920.db2.gz YGUCEUDDZOQUBN-DEOSSOPVSA-N -2 0 385.438 2.512 20 0 GFADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccc(N3CCO[C@H](C)C3)cc2)c1C(=O)[O-] ZINC000738969150 600256652 /nfs/dbraw/zinc/25/66/52/600256652.db2.gz IELIDMKTNDJXFW-LLVKDONJSA-N -2 0 394.449 2.621 20 0 GFADRL O=C([O-])CCN(Cc1c([O-])nnn1-c1ccccc1)Cc1ccc(F)c(F)c1 ZINC000739720262 600280862 /nfs/dbraw/zinc/28/08/62/600280862.db2.gz ORTYHCBVNQNAMJ-UHFFFAOYSA-N -2 0 388.374 2.728 20 0 GFADRL C[C@@H]1COCCN1c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1 ZINC000736823931 600395888 /nfs/dbraw/zinc/39/58/88/600395888.db2.gz YXVLVWHCFCYPPJ-GFCCVEGCSA-N -2 0 394.424 2.550 20 0 GFADRL C[C@@H](CSc1ccccc1)C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000736619315 600420248 /nfs/dbraw/zinc/42/02/48/600420248.db2.gz YRNQYFOFWVAVGG-JTQLQIEISA-N -2 0 385.488 2.680 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccnn2Cc2ccccc2)c(F)cc1F ZINC000740090139 600423295 /nfs/dbraw/zinc/42/32/95/600423295.db2.gz UDUBIDQHUQKNCM-UHFFFAOYSA-N -2 0 393.371 2.709 20 0 GFADRL Cc1c2ccc3ccccc3c2oc1C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000738260457 600460400 /nfs/dbraw/zinc/46/04/00/600460400.db2.gz FZRPUIXNLQMMIM-UHFFFAOYSA-N -2 0 375.402 2.819 20 0 GFADRL Cc1cc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])sc1-c1ccc(F)cc1 ZINC000738332609 600463344 /nfs/dbraw/zinc/46/33/44/600463344.db2.gz LFQOQJUAOJQQBO-UHFFFAOYSA-N -2 0 385.438 2.787 20 0 GFADRL CC1=C(C(=O)[O-])[C@H](c2cnn(C(C)C)c2)NC(=O)N1CCCCCC(=O)[O-] ZINC000736749359 600487616 /nfs/dbraw/zinc/48/76/16/600487616.db2.gz AYCVSUWWTFOXNJ-INIZCTEOSA-N -2 0 378.429 2.534 20 0 GFADRL Cc1ccc(S(=O)(=O)Nc2ccc(OCCCC(=O)[O-])cc2)cc1C(=O)[O-] ZINC000738654504 600489364 /nfs/dbraw/zinc/48/93/64/600489364.db2.gz BCYMURXEMGUOIF-UHFFFAOYSA-N -2 0 393.417 2.738 20 0 GFADRL Cc1nn(-c2ccccc2)c(C)c1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000174995124 600625675 /nfs/dbraw/zinc/62/56/75/600625675.db2.gz OCBRAOXGXLKFMU-UHFFFAOYSA-N -2 0 385.445 2.917 20 0 GFADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)Cc2c[nH]c3ccc(Cl)cc23)c1 ZINC000739338488 600658524 /nfs/dbraw/zinc/65/85/24/600658524.db2.gz IRSLXSQFZPMCBX-UHFFFAOYSA-N -2 0 392.820 2.567 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2cc(C)nn2-c2ccccc2)cc1C(=O)[O-] ZINC000738064128 600659538 /nfs/dbraw/zinc/65/95/38/600659538.db2.gz SYADKQZEVGLRPK-UHFFFAOYSA-N -2 0 387.417 2.688 20 0 GFADRL CCCn1cc([N-]S(=O)(=O)c2ccc(Br)cc2C(=O)[O-])cn1 ZINC000829585033 600686844 /nfs/dbraw/zinc/68/68/44/600686844.db2.gz BFHCQLSAZCJJSJ-UHFFFAOYSA-N -2 0 388.243 2.555 20 0 GFADRL CCC[C@H]1CCc2nc([N-]S(=O)(=O)c3cc(C(=O)[O-])n(C)c3)sc2C1 ZINC000829265775 600827808 /nfs/dbraw/zinc/82/78/08/600827808.db2.gz AEYUTEWWRUTGNT-JTQLQIEISA-N -2 0 383.495 2.886 20 0 GFADRL Cc1ncccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Br ZINC000833009539 600830713 /nfs/dbraw/zinc/83/07/13/600830713.db2.gz ZPFVLEKUCSPNIE-UHFFFAOYSA-N -2 0 389.202 2.791 20 0 GFADRL COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccsc2C(=O)[O-])c1 ZINC000737653790 600886989 /nfs/dbraw/zinc/88/69/89/600886989.db2.gz LOIONKGXVDONOW-UHFFFAOYSA-N -2 0 375.811 2.687 20 0 GFADRL CC(C)(C(=O)[O-])c1ccc(NC(=O)c2cc(F)ccc2[N-]S(C)(=O)=O)cc1 ZINC000431502408 600931890 /nfs/dbraw/zinc/93/18/90/600931890.db2.gz NVWNIRLSZNHESW-UHFFFAOYSA-N -2 0 394.424 2.812 20 0 GFADRL Cc1c([N-]S(=O)(=O)c2cnn(-c3ccccc3F)c2)cccc1C(=O)[O-] ZINC000460822591 601047028 /nfs/dbraw/zinc/04/70/28/601047028.db2.gz GUIHGCRNLPDZQR-UHFFFAOYSA-N -2 0 375.381 2.819 20 0 GFADRL C[C@@H](CN(Cc1ccccc1)C(=O)CSc1n[n-]c(=S)s1)C(=O)[O-] ZINC000827449915 601198990 /nfs/dbraw/zinc/19/89/90/601198990.db2.gz QPLWIXPAKLCMRJ-JTQLQIEISA-N -2 0 383.520 2.668 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc(N2CCCCC2)cn1 ZINC000831945393 601200538 /nfs/dbraw/zinc/20/05/38/601200538.db2.gz GCRYZAFDBXITLO-UHFFFAOYSA-N -2 0 397.478 2.641 20 0 GFADRL CCOc1ccc([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2OC)cc1F ZINC000830084327 601202730 /nfs/dbraw/zinc/20/27/30/601202730.db2.gz AKMZBRVEIFADGX-UHFFFAOYSA-N -2 0 375.399 2.794 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cnn(Cc2ccccc2)c1 ZINC000831949966 601203034 /nfs/dbraw/zinc/20/30/34/601203034.db2.gz JFXLJPMMNCHOSI-UHFFFAOYSA-N -2 0 393.446 2.501 20 0 GFADRL Cc1oc(S(=O)(=O)N[C@H](C)c2ncc(-c3ccccc3)o2)cc1C(=O)[O-] ZINC000833027739 601222853 /nfs/dbraw/zinc/22/28/53/601222853.db2.gz JATKBDZJHFRHMJ-SNVBAGLBSA-N -2 0 376.390 2.981 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(N(C)C(=O)[O-])cc2)c1F ZINC000832868151 601224412 /nfs/dbraw/zinc/22/44/12/601224412.db2.gz GQRJFQDSKJNQCQ-UHFFFAOYSA-N -3 0 382.369 2.747 20 0 GFADRL Cc1ccsc1Cn1nccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000832984147 601229434 /nfs/dbraw/zinc/22/94/34/601229434.db2.gz JWIPHWOEYICBOX-UHFFFAOYSA-N -2 0 381.435 2.702 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NC3CC3)c2)cc1C(=O)[O-] ZINC000833029053 601233324 /nfs/dbraw/zinc/23/33/24/601233324.db2.gz AEQXNMJGSOURQU-UHFFFAOYSA-N -2 0 398.824 2.633 20 0 GFADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1C(=O)N(C)C ZINC000751217024 601250674 /nfs/dbraw/zinc/25/06/74/601250674.db2.gz OQOCBJMGLONSIX-UHFFFAOYSA-N -2 0 396.852 2.849 20 0 GFADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N[C@@H](C(=O)[O-])c2cccs2)n1 ZINC000832888998 601282101 /nfs/dbraw/zinc/28/21/01/601282101.db2.gz ATCFNZNOYPLSQW-OAHLLOKOSA-N -2 0 375.381 2.643 20 0 GFADRL Cc1ccc(Cn2nccc2[N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)o1 ZINC000832935235 601360391 /nfs/dbraw/zinc/36/03/91/601360391.db2.gz CZGDHRLUPQAVRF-WEVVVXLNSA-N -2 0 387.417 2.731 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2nc(-c3ccccc3)ns2)ccc1F ZINC000833306080 601362135 /nfs/dbraw/zinc/36/21/35/601362135.db2.gz BVPSLICLKPJUKX-UHFFFAOYSA-N -2 0 379.394 2.843 20 0 GFADRL CCc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Br)no1 ZINC000830224826 601362449 /nfs/dbraw/zinc/36/24/49/601362449.db2.gz XKPQLCORPODERX-UHFFFAOYSA-N -2 0 393.190 2.638 20 0 GFADRL O=C([O-])c1nc(Cl)ccc1S(=O)(=O)[N-]c1ccccc1OC(F)F ZINC000833345330 601385268 /nfs/dbraw/zinc/38/52/68/601385268.db2.gz VHSMPIHAMWEMAQ-UHFFFAOYSA-N -2 0 378.740 2.835 20 0 GFADRL CC(C)Cn1cnc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2OC(F)F)c1 ZINC000826924315 601387520 /nfs/dbraw/zinc/38/75/20/601387520.db2.gz ASFLXBUQCPKJQU-UHFFFAOYSA-N -2 0 389.380 2.640 20 0 GFADRL C/C(=C\COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)C(=O)[O-] ZINC000825780262 601408104 /nfs/dbraw/zinc/40/81/04/601408104.db2.gz BUSHCZFKLDXIAB-ZRDIBKRKSA-N -2 0 393.392 2.814 20 0 GFADRL Cc1cc(Br)ncc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000832859300 601474405 /nfs/dbraw/zinc/47/44/05/601474405.db2.gz ONJXKWVGRIZBOV-UHFFFAOYSA-N -2 0 389.202 2.791 20 0 GFADRL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000565578760 601488377 /nfs/dbraw/zinc/48/83/77/601488377.db2.gz ANNXDAAWMOXHFG-UHFFFAOYSA-N -3 0 393.417 2.520 20 0 GFADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)CCCc1ccc(F)c(F)c1 ZINC000833098382 601598312 /nfs/dbraw/zinc/59/83/12/601598312.db2.gz RTDTXLBMWZVCDW-UHFFFAOYSA-N -2 0 389.401 2.552 20 0 GFADRL CCc1ccccc1-n1cc([O-])c(C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)n1 ZINC000830270351 601756727 /nfs/dbraw/zinc/75/67/27/601756727.db2.gz NXHFTIDLNRDPAS-UHFFFAOYSA-N -2 0 377.400 2.995 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(Cl)ccn2)ccc1Br ZINC000236458718 601769187 /nfs/dbraw/zinc/76/91/87/601769187.db2.gz NIXFKOXGUNEMEO-UHFFFAOYSA-N -2 0 391.630 2.997 20 0 GFADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ccc(OCC(F)(F)F)cc1 ZINC000833347019 601832910 /nfs/dbraw/zinc/83/29/10/601832910.db2.gz ZPLSNYVTYJEVKI-UHFFFAOYSA-N -2 0 382.341 2.583 20 0 GFADRL Cc1ccsc1Cn1nccc1[N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000832984484 601847689 /nfs/dbraw/zinc/84/76/89/601847689.db2.gz SVOBAMFPGACQHS-UHFFFAOYSA-N -2 0 395.437 2.939 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])ncc1Br ZINC000832899057 601847898 /nfs/dbraw/zinc/84/78/98/601847898.db2.gz BYXHRFVNQIVZPO-UHFFFAOYSA-N -2 0 389.202 2.791 20 0 GFADRL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccccc1C(=O)N1CCCC1 ZINC000833295070 601857455 /nfs/dbraw/zinc/85/74/55/601857455.db2.gz YGQFSPZNIZMAPC-UHFFFAOYSA-N -2 0 392.408 2.561 20 0 GFADRL COCCOc1cc(C)ccc1[N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000831767359 601859985 /nfs/dbraw/zinc/85/99/85/601859985.db2.gz MKTLLPCNNQEOJT-UHFFFAOYSA-N -2 0 383.397 2.658 20 0 GFADRL CCCOc1ccc(S(=O)(=O)[N-]c2nnc(CCCC(=O)[O-])s2)cc1 ZINC000829537711 602104691 /nfs/dbraw/zinc/10/46/91/602104691.db2.gz ASRAULYWBBNAID-UHFFFAOYSA-N -2 0 385.467 2.535 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(-c3cccc(F)c3F)[nH]n2)s1 ZINC000833323638 602119674 /nfs/dbraw/zinc/11/96/74/602119674.db2.gz VVCXWPOHHRCRKQ-UHFFFAOYSA-N -2 0 385.373 2.915 20 0 GFADRL COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1ccc(OCCC(=O)[O-])cc1 ZINC000831852374 602119759 /nfs/dbraw/zinc/11/97/59/602119759.db2.gz XKURNGCSSWVBBU-UHFFFAOYSA-N -2 0 387.360 2.628 20 0 GFADRL O=C([O-])N1CCc2cc(NC(=O)CC3(C(=O)[O-])Cc4ccccc4C3)ccc21 ZINC000740350189 602294528 /nfs/dbraw/zinc/29/45/28/602294528.db2.gz RTGJMZMWGAKOMU-UHFFFAOYSA-N -2 0 380.400 2.926 20 0 GFADRL O=C([O-])N[C@@H](CCC(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1)c1ccccc1 ZINC000740538529 602473173 /nfs/dbraw/zinc/47/31/73/602473173.db2.gz FNOGNIFTWZWQDK-HNNXBMFYSA-N -2 0 382.376 2.758 20 0 GFADRL CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(F)c(NC(=O)[O-])c2)c1 ZINC000739517001 602545818 /nfs/dbraw/zinc/54/58/18/602545818.db2.gz AUJQPVAFYASYLL-UHFFFAOYSA-N -2 0 382.369 2.667 20 0 GFADRL COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])sc2C)cc1NC(=O)[O-] ZINC000739925360 602645400 /nfs/dbraw/zinc/64/54/00/602645400.db2.gz MNNPRLPQXSZGSX-UHFFFAOYSA-N -2 0 386.407 2.654 20 0 GFADRL COCCc1ccc(S(=O)(=O)[N-]c2cc(OC)ccc2NC(=O)[O-])cc1 ZINC000739837168 602652307 /nfs/dbraw/zinc/65/23/07/602652307.db2.gz KJDNKVCNUIJAKI-UHFFFAOYSA-N -2 0 380.422 2.775 20 0 GFADRL CN(Cc1ccccc1[N-]S(=O)(=O)c1cnn(-c2ccccc2)c1)C(=O)[O-] ZINC000739715828 602654312 /nfs/dbraw/zinc/65/43/12/602654312.db2.gz RJORMKJFGROVTL-UHFFFAOYSA-N -2 0 386.433 2.783 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]C(=O)CC[C@@H](NC(=O)[O-])c2ccccc2)c(C)s1 ZINC000740091028 602671419 /nfs/dbraw/zinc/67/14/19/602671419.db2.gz JLKMVEPEOYSONT-CQSZACIVSA-N -2 0 396.490 2.959 20 0 GFADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc2c1CCN(C(=O)[O-])C2 ZINC000740107832 603182632 /nfs/dbraw/zinc/18/26/32/603182632.db2.gz PUXKZISHCBYODS-UHFFFAOYSA-N -2 0 390.417 2.530 20 0 GFADRL Cc1ccc(-n2[n-]c(C(=O)NCCc3ccc(NC(=O)[O-])cc3)cc2=O)cc1 ZINC000830166170 603456274 /nfs/dbraw/zinc/45/62/74/603456274.db2.gz VEDVRFXUXSNPCQ-UHFFFAOYSA-N -2 0 380.404 2.536 20 0 GFADRL C[C@@H](NC(=O)[O-])c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1 ZINC000825449209 603526452 /nfs/dbraw/zinc/52/64/52/603526452.db2.gz LTCXWKJMIOOQGX-SECBINFHSA-N -3 0 382.369 2.653 20 0 GFADRL O=C([O-])NCC1CCN(C(=O)c2cc(Br)cc(Cl)c2[O-])CC1 ZINC000832590480 603544713 /nfs/dbraw/zinc/54/47/13/603544713.db2.gz USFRRLVXWWYMNV-UHFFFAOYSA-N -2 0 391.649 2.928 20 0 GFADRL O=C([O-])Nc1cc2c(cc1[N-]S(=O)(=O)c1ccc3ncccc3c1)OCO2 ZINC000832829585 603889530 /nfs/dbraw/zinc/88/95/30/603889530.db2.gz WHNINQDOBKUULE-UHFFFAOYSA-N -2 0 387.373 2.854 20 0 GFADRL C[C@H](CC(=O)[N-]S(=O)(=O)c1cccc(Cl)c1)C1CCN(C(=O)[O-])CC1 ZINC000824679332 604383219 /nfs/dbraw/zinc/38/32/19/604383219.db2.gz JKCDBLBAYWUJMP-LLVKDONJSA-N -2 0 388.873 2.561 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(F)(F)F)c2)cc1C(=O)[O-] ZINC000833030129 604399452 /nfs/dbraw/zinc/39/94/52/604399452.db2.gz RTAVFSAAXLKBJF-UHFFFAOYSA-N -3 0 393.295 2.804 20 0 GFADRL O=C([O-])N[C@@H]1CCN(Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)C1 ZINC000740594691 604431270 /nfs/dbraw/zinc/43/12/70/604431270.db2.gz AFTMMAONZDDELI-GFCCVEGCSA-N -2 0 388.424 2.633 20 0 GFADRL CCc1nc(-c2ccccc2[N-]S(=O)(=O)c2ccsc2C(=O)[O-])n[nH]1 ZINC000833675984 604538913 /nfs/dbraw/zinc/53/89/13/604538913.db2.gz DJHCQIREKPDJHU-UHFFFAOYSA-N -2 0 378.435 2.595 20 0 GFADRL CC1=C(C(=O)[O-])[C@H](c2ccc(O)c(F)c2)NC(=O)N1CCCCCC(=O)[O-] ZINC000833578807 604556644 /nfs/dbraw/zinc/55/66/44/604556644.db2.gz XDFBINLDIJBRIT-INIZCTEOSA-N -2 0 380.372 2.601 20 0 GFADRL CC(C)[C@H](C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)c1ccc(F)cc1 ZINC000833465871 604607513 /nfs/dbraw/zinc/60/75/13/604607513.db2.gz OTKYQQORHOXZPU-AWEZNQCLSA-N -2 0 385.438 2.830 20 0 GFADRL Cc1cc(Br)cnc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000129540290 604620961 /nfs/dbraw/zinc/62/09/61/604620961.db2.gz CORXAOWNFDKBIJ-UHFFFAOYSA-N -2 0 377.241 2.713 20 0 GFADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccn(-c3ccccc3Cl)n2)cc1 ZINC000130402685 604631374 /nfs/dbraw/zinc/63/13/74/604631374.db2.gz NZVVMVKKQAAHNR-UHFFFAOYSA-N -2 0 391.836 2.954 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)c(C(F)(F)F)c1 ZINC000833733097 604688073 /nfs/dbraw/zinc/68/80/73/604688073.db2.gz FPLJIKLCYOXWKG-UHFFFAOYSA-N -2 0 376.312 2.608 20 0 GFADRL CN(c1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])nc1)C1CCCC1 ZINC000833698538 604689883 /nfs/dbraw/zinc/68/98/83/604689883.db2.gz XBUBNBGAZKBKKN-UHFFFAOYSA-N -2 0 375.450 2.959 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2cncc(C(=O)[O-])c2)c(Cl)c1Cl ZINC000832468991 604708867 /nfs/dbraw/zinc/70/88/67/604708867.db2.gz ZDJJJGTWFCXYOW-UHFFFAOYSA-N -2 0 377.205 2.896 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)c(Cl)c1 ZINC000833781596 604748170 /nfs/dbraw/zinc/74/81/70/604748170.db2.gz JTNHLVMWDZXUCO-LBPRGKRZSA-N -2 0 395.820 2.805 20 0 GFADRL C[C@H](OC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccccc1)C(=O)[O-] ZINC000737707209 605013582 /nfs/dbraw/zinc/01/35/82/605013582.db2.gz STNQKYVQLPRQLN-JTQLQIEISA-N -2 0 383.809 2.771 20 0 GFADRL CC[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)c1ccc(OC)cc1 ZINC000833636131 605086760 /nfs/dbraw/zinc/08/67/60/605086760.db2.gz IVBOWFGCVVRATH-QGZVFWFLSA-N -2 0 391.445 2.533 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2cnn(-c3ccccc3F)c2)c(C(=O)[O-])c1 ZINC000833751282 605189222 /nfs/dbraw/zinc/18/92/22/605189222.db2.gz SNTLBKGCJLXANU-UHFFFAOYSA-N -2 0 375.381 2.819 20 0 GFADRL CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)C[C@H](NC(=O)[O-])c1ccccc1 ZINC000828420380 605573539 /nfs/dbraw/zinc/57/35/39/605573539.db2.gz GOJWQSSXYHQPJQ-ZDUSSCGKSA-N -2 0 386.433 2.754 20 0 GFADRL O=C([O-])N1CCC2(CCN(C(=O)c3cc(Br)ccc3O)C2)CC1 ZINC000834090707 605904928 /nfs/dbraw/zinc/90/49/28/605904928.db2.gz SZODYXLUTRNQSE-UHFFFAOYSA-N -2 0 383.242 2.761 20 0 GFADRL O=C([O-])N[C@@H](CCC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])c1ccccc1 ZINC000834137386 606049162 /nfs/dbraw/zinc/04/91/62/606049162.db2.gz LUPXEMFRVKKALY-ZWKOTPCHSA-N -2 0 382.416 2.814 20 0 GFADRL C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)c2cc(Cl)cc(Cl)c2[O-])C1 ZINC000828682169 660561443 /nfs/dbraw/zinc/56/14/43/660561443.db2.gz YQUSPKXNSSMLFS-ZDUSSCGKSA-N -2 0 385.169 2.982 20 0 GFADRL COC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000042792641 654644836 /nfs/dbraw/zinc/64/48/36/654644836.db2.gz QEKBYHCAKCIRNO-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL CCCNC(=O)c1cccc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c1 ZINC000042792151 654644862 /nfs/dbraw/zinc/64/48/62/654644862.db2.gz AQMJULUQECHVGS-UHFFFAOYSA-N -2 0 382.463 2.695 20 0 GFADRL O=C([O-])c1ccccc1[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000048443353 654707004 /nfs/dbraw/zinc/70/70/04/654707004.db2.gz BRMAEALICJBWCY-UHFFFAOYSA-N -2 0 391.630 2.997 20 0 GFADRL CCn1cc(S(=O)(=O)[N-]c2cc(OC)c(Cl)cc2OC)cc1C(=O)[O-] ZINC000269994103 655030447 /nfs/dbraw/zinc/03/04/47/655030447.db2.gz KBCTYOHOCSSTDQ-UHFFFAOYSA-N -2 0 388.829 2.678 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc(O)c2)c1Br ZINC000318297126 655381060 /nfs/dbraw/zinc/38/10/60/655381060.db2.gz NDFWYOUZUSCHNS-UHFFFAOYSA-N -2 0 386.223 2.962 20 0 GFADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1N1CCOC1=O ZINC000729665308 655566554 /nfs/dbraw/zinc/56/65/54/655566554.db2.gz HYLPCQWBQJYCPY-UHFFFAOYSA-N -2 0 382.419 2.512 20 0 GFADRL CN(CCC(=O)[O-])C(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1[O-] ZINC000737991943 655681432 /nfs/dbraw/zinc/68/14/32/655681432.db2.gz UAJZUXXZIHCOFK-UHFFFAOYSA-N -2 0 382.825 2.906 20 0 GFADRL COC(=O)c1scc(C)c1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000780404585 657003818 /nfs/dbraw/zinc/00/38/18/657003818.db2.gz IDGHSXNSOVFNCI-UHFFFAOYSA-N -2 0 389.838 2.996 20 0 GFADRL Cc1oncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Br ZINC000782468163 657147149 /nfs/dbraw/zinc/14/71/49/657147149.db2.gz FVCNEKYFGWYBBA-UHFFFAOYSA-N -2 0 395.618 2.898 20 0 GFADRL COC(=O)c1sc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)c(C)c1Cl ZINC000788439059 657717069 /nfs/dbraw/zinc/71/70/69/657717069.db2.gz PPBKNBDCOHRDAJ-UHFFFAOYSA-N -2 0 389.838 2.996 20 0 GFADRL O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1ccc(Cl)cc1F ZINC000852734789 661872627 /nfs/dbraw/zinc/87/26/27/661872627.db2.gz DFFAMRDXRHBLOH-NWDGAFQWSA-N -2 0 382.741 2.575 20 0 GFADRL O=C([O-])[C@H](C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1CCCC1 ZINC000863952655 662350681 /nfs/dbraw/zinc/35/06/81/662350681.db2.gz BHGNPWCRGOMTPE-NSHDSACASA-N -2 0 380.249 2.689 20 0 GFADRL C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1oc2ccccc2c1Br ZINC000864433041 662370832 /nfs/dbraw/zinc/37/08/32/662370832.db2.gz FNPKYJGPOZMTMN-QMMMGPOBSA-N -2 0 376.228 2.727 20 0 GFADRL O=C([O-])CN(C(=O)c1cc(Br)c([O-])c(Br)c1)C1CC1 ZINC000908888679 664134498 /nfs/dbraw/zinc/13/44/98/664134498.db2.gz GWCQZYGBQKICPS-UHFFFAOYSA-N -2 0 393.031 2.606 20 0 GFADRL O=C([O-])CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1occc1Br ZINC000926487033 664690534 /nfs/dbraw/zinc/69/05/34/664690534.db2.gz RSKWLFPHXRXWGH-ONGXEEELSA-N -2 0 380.260 2.744 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2C(=O)[O-])sc1C(=O)[O-] ZINC000068321254 551191266 /nfs/dbraw/zinc/19/12/66/551191266.db2.gz VHKBJVZINZOFEE-UHFFFAOYSA-N -3 0 377.346 2.532 20 0 GFADRL Cc1ncc(S(=O)(=O)[N-]c2ccc(Br)c(C(=O)[O-])c2)s1 ZINC000229619512 553064357 /nfs/dbraw/zinc/06/43/57/553064357.db2.gz BHGKRKAQGYNUGP-UHFFFAOYSA-N -2 0 377.241 2.713 20 0 GFADRL CC(C)[C@@H](NC(=O)c1cc(Br)c([O-])c(Br)c1)C(=O)[O-] ZINC000263449120 553187931 /nfs/dbraw/zinc/18/79/31/553187931.db2.gz RWCLVRLQFBLIHU-SECBINFHSA-N -2 0 395.047 2.756 20 0 GFADRL CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1 ZINC000299173678 563377250 /nfs/dbraw/zinc/37/72/50/563377250.db2.gz ZFDYKFNHNMQATN-SNVBAGLBSA-N -2 0 382.463 2.775 20 0 GFADRL C[C@@H](CCNS(=O)(=O)c1c(Cl)cccc1Br)CC(=O)[O-] ZINC000282993457 563432563 /nfs/dbraw/zinc/43/25/63/563432563.db2.gz NGAXZEOEDUJKPC-QMMMGPOBSA-N -2 0 384.679 2.882 20 0 GFADRL O=C([O-])c1cc(F)c(F)cc1[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000315359752 563441032 /nfs/dbraw/zinc/44/10/32/563441032.db2.gz MUQOORRBOVYKBJ-UHFFFAOYSA-N -2 0 393.165 2.621 20 0 GFADRL CNC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C ZINC000327040332 563456592 /nfs/dbraw/zinc/45/65/92/563456592.db2.gz PHCQBDAWEPDQRU-UHFFFAOYSA-N -2 0 382.825 2.507 20 0 GFADRL CN(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000327762650 563459245 /nfs/dbraw/zinc/45/92/45/563459245.db2.gz PSYOCSUYPCPTAM-UHFFFAOYSA-N -2 0 382.825 2.541 20 0 GFADRL CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1C ZINC000432647763 563590078 /nfs/dbraw/zinc/59/00/78/563590078.db2.gz TWATWRSTALKSOH-UHFFFAOYSA-N -2 0 383.451 2.697 20 0 GFADRL COC(=O)c1scc(C)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000436155328 563665594 /nfs/dbraw/zinc/66/55/94/563665594.db2.gz PRVAGNPTHYHCCT-UHFFFAOYSA-N -2 0 389.838 2.996 20 0 GFADRL COC(=O)c1scc(C)c1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000436164850 563665885 /nfs/dbraw/zinc/66/58/85/563665885.db2.gz LSUWBUSBISVIHX-UHFFFAOYSA-N -2 0 383.447 2.661 20 0 GFADRL Cc1c(C[S@](C)=O)cccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000438777018 563710187 /nfs/dbraw/zinc/71/01/87/563710187.db2.gz WXOORFYLCLRHST-DEOSSOPVSA-N -2 0 385.438 2.512 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nccn3CC(=O)[O-])c2)s1 ZINC000364059382 563741781 /nfs/dbraw/zinc/74/17/81/563741781.db2.gz RRYPKWIXYVRFAE-UHFFFAOYSA-N -2 0 377.447 2.805 20 0 GFADRL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(-c2cccs2)[nH]n1 ZINC000444420545 563830755 /nfs/dbraw/zinc/83/07/55/563830755.db2.gz DPNHLZFIGVUAPA-UHFFFAOYSA-N -2 0 379.419 2.651 20 0 GFADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cc(-c3cccs3)[nH]n2)cc1 ZINC000444425884 563831853 /nfs/dbraw/zinc/83/18/53/563831853.db2.gz XUIMKBKWWOJOSB-UHFFFAOYSA-N -2 0 377.447 2.956 20 0 GFADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)ccc1C(F)(F)F ZINC000447787782 563886492 /nfs/dbraw/zinc/88/64/92/563886492.db2.gz RNQRCUXVPFWCHV-UHFFFAOYSA-N -2 0 378.328 2.552 20 0 GFADRL CC(C)(C)CC[C@@H](NC(=O)c1cc(Cl)ccc1[N-]S(C)(=O)=O)C(=O)[O-] ZINC000449134353 563907399 /nfs/dbraw/zinc/90/73/99/563907399.db2.gz IQHDUASSQBAEDA-CYBMUJFWSA-N -2 0 390.889 2.721 20 0 GFADRL O=S(=O)([N-]c1ccccc1S(=O)(=O)[N-]c1ccccc1)c1ccoc1 ZINC000506721554 564210012 /nfs/dbraw/zinc/21/00/12/564210012.db2.gz DPGTWJASESTTGQ-UHFFFAOYSA-N -2 0 378.431 2.881 20 0 GFADRL COc1ccc(O)c(S(=O)(=O)[N-]c2ccc(S[C@@H](C)C(=O)[O-])cc2)c1 ZINC000507606050 564234714 /nfs/dbraw/zinc/23/47/14/564234714.db2.gz YQPBWAWOTXFOIY-JTQLQIEISA-N -2 0 383.447 2.767 20 0 GFADRL COC(=O)[C@H](CS(=O)(=O)[N-]c1cc(F)cc(Cl)c1[O-])c1ccccc1 ZINC000507908990 564247951 /nfs/dbraw/zinc/24/79/51/564247951.db2.gz OXZFQBQFDQXWOZ-GFCCVEGCSA-N -2 0 387.816 2.883 20 0 GFADRL COc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2cc(C)cs2)c(OC)c1OC ZINC000450970016 564257716 /nfs/dbraw/zinc/25/77/16/564257716.db2.gz MTQHEEUPSZTWRN-UHFFFAOYSA-N -2 0 387.435 2.581 20 0 GFADRL Cc1ccc(Br)cc1S(=O)(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000508450015 564264026 /nfs/dbraw/zinc/26/40/26/564264026.db2.gz MTRQKOSBZLTDOF-UHFFFAOYSA-N -2 0 394.254 2.738 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc([C@@H](C)CC(=O)[O-])cc2)cs1 ZINC000542236509 564305676 /nfs/dbraw/zinc/30/56/76/564305676.db2.gz HZRAYCRCLYCEJP-JTQLQIEISA-N -2 0 383.447 2.914 20 0 GFADRL CCc1noc2ncc(S(=O)(=O)[N-]c3ccc(Cl)cc3C(=O)[O-])cc12 ZINC000545831105 564433266 /nfs/dbraw/zinc/43/32/66/564433266.db2.gz OQGTXLUESYMRNG-UHFFFAOYSA-N -2 0 381.797 2.938 20 0 GFADRL COC(=O)c1sccc1[N-]S(=O)(=O)c1cc(Cl)c(C)c(C(=O)[O-])c1 ZINC000479272267 564434636 /nfs/dbraw/zinc/43/46/36/564434636.db2.gz QVZHSAZXFGNSQF-UHFFFAOYSA-N -2 0 389.838 2.996 20 0 GFADRL COC(=O)[C@@H](C)Cc1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1 ZINC000546779758 564468211 /nfs/dbraw/zinc/46/82/11/564468211.db2.gz SRHYJDFVXLRALF-JTQLQIEISA-N -2 0 383.447 2.599 20 0 GFADRL CC(C)n1cnc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2Br)c1 ZINC000548543275 564558250 /nfs/dbraw/zinc/55/82/50/564558250.db2.gz QZCACAIJWFOIKH-UHFFFAOYSA-N -2 0 388.243 2.726 20 0 GFADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@@H](C(=O)[O-])c1c(Cl)cccc1Cl ZINC000548592243 564565262 /nfs/dbraw/zinc/56/52/62/564565262.db2.gz AWIFGEOXZHIQIX-MLUIRONXSA-N -2 0 380.171 2.989 20 0 GFADRL Cc1ccc(Br)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cncc(F)c1 ZINC000484937093 564602861 /nfs/dbraw/zinc/60/28/61/564602861.db2.gz MHMKUFNOUPSVKE-UHFFFAOYSA-N -2 0 389.202 2.791 20 0 GFADRL COc1cc(S(=O)(=O)[N-]c2cc(C)cnc2OC)c(Cl)cc1C(=O)[O-] ZINC000485266871 564611660 /nfs/dbraw/zinc/61/16/60/564611660.db2.gz DYAKGZKIVKGVIL-UHFFFAOYSA-N -2 0 386.813 2.560 20 0 GFADRL COc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)c(Cl)cc1C(=O)[O-] ZINC000485280104 564611976 /nfs/dbraw/zinc/61/19/76/564611976.db2.gz UWOVKXHAIGULDL-UHFFFAOYSA-N -3 0 385.781 2.546 20 0 GFADRL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2O)cc1Cl ZINC000524852149 564688919 /nfs/dbraw/zinc/68/89/19/564688919.db2.gz IOUXRPVUBAJFBU-UHFFFAOYSA-N -2 0 392.216 2.963 20 0 GFADRL Cc1oc(S(=O)(=O)[N-][C@H](Cc2ccccc2)C(F)(F)F)cc1C(=O)[O-] ZINC000579349797 564747163 /nfs/dbraw/zinc/74/71/63/564747163.db2.gz QUHQTQKFDYXXFY-GFCCVEGCSA-N -2 0 377.340 2.738 20 0 GFADRL CC(=O)Nc1ncc(S(=O)(=O)[N-]c2c(C)ccc(Cl)c2C(=O)[O-])s1 ZINC000555529924 564795745 /nfs/dbraw/zinc/79/57/45/564795745.db2.gz IXOCZMIINAOXGL-UHFFFAOYSA-N -2 0 389.842 2.562 20 0 GFADRL COC(=O)c1ccc(S(=O)(=O)Nc2c(Cl)cccc2C(=O)[O-])c(F)c1 ZINC000581691836 564813894 /nfs/dbraw/zinc/81/38/94/564813894.db2.gz RWLOYVPJYPFXNA-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL Cc1cc(Cl)cc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(C)c2)c1O ZINC000462100692 564819362 /nfs/dbraw/zinc/81/93/62/564819362.db2.gz HHKUDNZMMVCLKJ-UHFFFAOYSA-N -2 0 385.825 2.927 20 0 GFADRL Cc1cc(Cl)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1O ZINC000462099370 564819559 /nfs/dbraw/zinc/81/95/59/564819559.db2.gz FANYBZNVSIYQCT-UHFFFAOYSA-N -3 0 385.781 2.551 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccnc2OCC(F)F)cc1Cl ZINC000498488006 564900294 /nfs/dbraw/zinc/90/02/94/564900294.db2.gz OTQYYJBGCUEWTQ-UHFFFAOYSA-N -2 0 392.767 2.878 20 0 GFADRL COc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])c(C)c1 ZINC000500365565 564951417 /nfs/dbraw/zinc/95/14/17/564951417.db2.gz YMLOSPLOYQYMJW-UHFFFAOYSA-N -2 0 385.825 2.921 20 0 GFADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2cccc(Cl)c2F)c1OC ZINC000467329767 564960877 /nfs/dbraw/zinc/96/08/77/564960877.db2.gz LSDZBRGPNNZALQ-UHFFFAOYSA-N -2 0 389.788 2.995 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2c(C)c(Cl)ccc2C(=O)[O-])cs1 ZINC000614325729 565108150 /nfs/dbraw/zinc/10/81/50/565108150.db2.gz HOUWGYFLWXYOON-UHFFFAOYSA-N -2 0 389.838 2.996 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(OCc3cscn3)c2)c[nH]1 ZINC000589149524 565153863 /nfs/dbraw/zinc/15/38/63/565153863.db2.gz OFDBDRXOUQZUOL-UHFFFAOYSA-N -2 0 379.419 2.549 20 0 GFADRL COc1ccc([C@@H]([N-]S(=O)(=O)CCCCCC(=O)[O-])C(F)(F)F)cc1 ZINC000645988395 565580670 /nfs/dbraw/zinc/58/06/70/565580670.db2.gz AWRDZOSQCPYUMR-CQSZACIVSA-N -2 0 383.388 2.863 20 0 GFADRL COCCOCc1ccc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc1 ZINC000629328244 565843911 /nfs/dbraw/zinc/84/39/11/565843911.db2.gz RVIMKDCCTSMMGJ-UHFFFAOYSA-N -2 0 385.463 2.719 20 0 GFADRL COC(=O)c1[nH]c(C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C ZINC000610479170 566082873 /nfs/dbraw/zinc/08/28/73/566082873.db2.gz JFZNVYVWBJBXGY-UHFFFAOYSA-N -2 0 386.813 2.571 20 0 GFADRL Cc1ccc([C@H]([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)C(F)(F)F)o1 ZINC000656181818 566111761 /nfs/dbraw/zinc/11/17/61/566111761.db2.gz WQPKRDIXHQHUSJ-AWEZNQCLSA-N -2 0 377.340 2.797 20 0 GFADRL Cc1c(Cl)ccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000681562543 566112252 /nfs/dbraw/zinc/11/22/52/566112252.db2.gz VQJLJKMFCCQNFP-UHFFFAOYSA-N -2 0 397.762 2.906 20 0 GFADRL Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)N(C)[C@@H](C)C(=O)[O-])c1 ZINC000262722061 597461769 /nfs/dbraw/zinc/46/17/69/597461769.db2.gz AVPZZFWLQNJQFB-AWEZNQCLSA-N -2 0 390.461 2.649 20 0 GFADRL CC[C@H](C)[C@H](NC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1)C(=O)[O-] ZINC000261612150 599744403 /nfs/dbraw/zinc/74/44/03/599744403.db2.gz AEKGETCSHSDGAM-NHYWBVRUSA-N -2 0 396.490 2.778 20 0 GFADRL Cc1cc(S(=O)(=O)Nc2ccsc2C(=O)[O-])ccc1OCCCC(=O)[O-] ZINC000738477664 599769251 /nfs/dbraw/zinc/76/92/51/599769251.db2.gz AHZXLWQGWDUUFY-UHFFFAOYSA-N -2 0 399.446 2.799 20 0 GFADRL CCCCN1C(=O)N[C@@H](c2cccc(O[C@H](C)C(=O)[O-])c2)C(C(=O)[O-])=C1C ZINC000736993883 599983946 /nfs/dbraw/zinc/98/39/46/599983946.db2.gz JREGGGWOKZQTBL-WBMJQRKESA-N -2 0 376.409 2.764 20 0 GFADRL CC1=C(C(=O)[O-])[C@@H](c2ccc(OC(F)F)cc2)NC(=O)N1CCCCC(=O)[O-] ZINC000736749617 599989077 /nfs/dbraw/zinc/98/90/77/599989077.db2.gz DFLFCTROXZZXMI-OAHLLOKOSA-N -2 0 398.362 2.968 20 0 GFADRL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)c1 ZINC000511715476 600006838 /nfs/dbraw/zinc/00/68/38/600006838.db2.gz ZKOBPKAZUXNKPB-UHFFFAOYSA-N -2 0 398.396 2.913 20 0 GFADRL CC(=O)Nc1ccc2nc([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)sc2c1 ZINC000736166154 600054739 /nfs/dbraw/zinc/05/47/39/600054739.db2.gz WVZWMTCDZAKTRR-UHFFFAOYSA-N -2 0 397.459 2.815 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])n(Cc2ccccc2)n1 ZINC000738461549 600054982 /nfs/dbraw/zinc/05/49/82/600054982.db2.gz GWVGMECGFOUTTI-UHFFFAOYSA-N -2 0 389.433 2.949 20 0 GFADRL O=C([O-])c1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1cnc(C2CC2)nc1 ZINC000740123104 600058019 /nfs/dbraw/zinc/05/80/19/600058019.db2.gz IECKPTBWSIHCDT-UHFFFAOYSA-N -2 0 387.339 2.872 20 0 GFADRL O=C([O-])[C@H]1CCN(C(=O)c2ccsc2NC(=O)c2ccc(Cl)cc2[O-])C1 ZINC000436777975 600059571 /nfs/dbraw/zinc/05/95/71/600059571.db2.gz OTNLVEBSHJVHFP-VIFPVBQESA-N -2 0 394.836 2.906 20 0 GFADRL CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])cc1 ZINC000736887632 600097309 /nfs/dbraw/zinc/09/73/09/600097309.db2.gz UGQOOXCSVVQVQR-LLVKDONJSA-N -2 0 394.424 2.853 20 0 GFADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Br)nc1 ZINC000738632477 600102368 /nfs/dbraw/zinc/10/23/68/600102368.db2.gz ABGPRHLJVXJSKS-UHFFFAOYSA-N -2 0 389.202 2.791 20 0 GFADRL CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000738164646 600203601 /nfs/dbraw/zinc/20/36/01/600203601.db2.gz WMXZIFKUOFLAKY-UHFFFAOYSA-N -2 0 386.788 2.801 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(c2)OCCCO3)c(F)cc1F ZINC000740090530 600231607 /nfs/dbraw/zinc/23/16/07/600231607.db2.gz WXFRRFBTSVGBKD-UHFFFAOYSA-N -2 0 385.344 2.625 20 0 GFADRL CCn1cnnc1-c1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000477404932 600231640 /nfs/dbraw/zinc/23/16/40/600231640.db2.gz KSYYCKHAJQMNHP-UHFFFAOYSA-N -2 0 386.433 2.772 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(-c3cc[nH]n3)c2)c(F)cc1F ZINC000740090126 600233241 /nfs/dbraw/zinc/23/32/41/600233241.db2.gz SWOQRYBPHNLLKB-UHFFFAOYSA-N -2 0 379.344 2.854 20 0 GFADRL CCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C ZINC000737107966 600244355 /nfs/dbraw/zinc/24/43/55/600244355.db2.gz FFSLCVDAXAPTRT-UHFFFAOYSA-N -2 0 377.418 2.915 20 0 GFADRL Cc1ccccc1[C@H](C)CC(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000738756958 600245780 /nfs/dbraw/zinc/24/57/80/600245780.db2.gz RRMTWGHLONGHCK-CQSZACIVSA-N -2 0 375.446 2.833 20 0 GFADRL Cc1ccccc1[C@@H](C)CC(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000738756957 600245910 /nfs/dbraw/zinc/24/59/10/600245910.db2.gz RRMTWGHLONGHCK-AWEZNQCLSA-N -2 0 375.446 2.833 20 0 GFADRL CCOC(=O)Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1 ZINC000737143253 600395895 /nfs/dbraw/zinc/39/58/95/600395895.db2.gz ULAQNMLVNBBGDU-UHFFFAOYSA-N -2 0 399.371 2.569 20 0 GFADRL C[C@H](c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cc1)N1CCOCC1 ZINC000736718164 600423120 /nfs/dbraw/zinc/42/31/20/600423120.db2.gz RGRYBHHJFRRTEL-GFCCVEGCSA-N -2 0 396.490 2.640 20 0 GFADRL CCn1cnnc1-c1ccccc1[N-]S(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC000737302408 600423411 /nfs/dbraw/zinc/42/34/11/600423411.db2.gz FDXXZJLRSZQZGH-UHFFFAOYSA-N -2 0 386.433 2.772 20 0 GFADRL O=C([O-])c1ccc(NC(=O)c2n[n-]c3ccccc3c2=O)c(OC(F)F)c1 ZINC000740160701 600486225 /nfs/dbraw/zinc/48/62/25/600486225.db2.gz HRLOGRNXHDJLPY-UHFFFAOYSA-N -2 0 375.287 2.887 20 0 GFADRL O=C([O-])c1ccncc1[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000096703744 600514114 /nfs/dbraw/zinc/51/41/14/600514114.db2.gz HTLIVLUYUZXSBA-UHFFFAOYSA-N -2 0 391.630 2.997 20 0 GFADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)c2ccccc2OC2CCC2)cc1 ZINC000740134805 600519259 /nfs/dbraw/zinc/51/92/59/600519259.db2.gz GGLMOUCHBRXXEI-UHFFFAOYSA-N -2 0 389.429 2.576 20 0 GFADRL Cc1cccc(Oc2ccc(S(=O)(=O)[N-]c3cnn(CC(=O)[O-])c3)cc2)c1 ZINC000738737919 600529739 /nfs/dbraw/zinc/52/97/39/600529739.db2.gz QVSFJTAUXINCBJ-UHFFFAOYSA-N -2 0 387.417 2.869 20 0 GFADRL O=C([O-])Cn1cc([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)cn1 ZINC000315091991 600530178 /nfs/dbraw/zinc/53/01/78/600530178.db2.gz MHNSIIASRRJBGZ-UHFFFAOYSA-N -2 0 384.628 2.729 20 0 GFADRL CCCC1=C(C(=O)[O-])[C@H](c2cccc(OCC(=O)[O-])c2)NC(=O)N1CC1CC1 ZINC000736976252 600625073 /nfs/dbraw/zinc/62/50/73/600625073.db2.gz XRUQTKQEZPYMIS-SFHVURJKSA-N -2 0 388.420 2.765 20 0 GFADRL CCCc1ccc(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)c(C(=O)[O-])c1 ZINC000481986313 600626933 /nfs/dbraw/zinc/62/69/33/600626933.db2.gz YVKCOYGHQIBRJK-UHFFFAOYSA-N -2 0 377.418 2.765 20 0 GFADRL CC(C)[C@@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000736359114 600656835 /nfs/dbraw/zinc/65/68/35/600656835.db2.gz UNYXPNZGGNJHOI-CYBMUJFWSA-N -2 0 381.475 2.766 20 0 GFADRL Cn1nc(-c2ccncc2)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC000739057958 600672986 /nfs/dbraw/zinc/67/29/86/600672986.db2.gz OAOOAIXCMROXTD-UHFFFAOYSA-N -2 0 392.824 2.635 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCCC3)cc2)c[nH]1 ZINC000299544735 600677870 /nfs/dbraw/zinc/67/78/70/600677870.db2.gz BODOIDVZSPZYJK-UHFFFAOYSA-N -2 0 391.449 2.576 20 0 GFADRL CC(C)COC(=O)Nc1cccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC000299628413 600677935 /nfs/dbraw/zinc/67/79/35/600677935.db2.gz RRNHWDNWOVRZPI-UHFFFAOYSA-N -2 0 381.410 2.718 20 0 GFADRL NC(=O)c1c(Cl)cccc1[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC000833084942 600687434 /nfs/dbraw/zinc/68/74/34/600687434.db2.gz VNZYZLAJWBBNHU-UHFFFAOYSA-N -2 0 389.216 2.591 20 0 GFADRL COC(=O)c1ccc([N-]S(=O)(=O)c2cc(OC)ccc2Cl)cc1C(=O)[O-] ZINC000831434851 600689617 /nfs/dbraw/zinc/68/96/17/600689617.db2.gz HHAHVWVKXFHIIU-UHFFFAOYSA-N -2 0 399.808 2.634 20 0 GFADRL Cn1cc(S(=O)(=O)[N-]c2ccc3oc(C(C)(C)C)nc3c2)cc1C(=O)[O-] ZINC000482114590 600810961 /nfs/dbraw/zinc/81/09/61/600810961.db2.gz PQCVDYOPYQUXNA-UHFFFAOYSA-N -2 0 377.422 2.963 20 0 GFADRL Cc1nc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)ccc1Br ZINC000097992182 600829236 /nfs/dbraw/zinc/82/92/36/600829236.db2.gz ZRTMXNPQXSQBMO-UHFFFAOYSA-N -2 0 377.241 2.713 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)NCC(C)C)ccc1C(=O)[O-] ZINC000506602879 600886792 /nfs/dbraw/zinc/88/67/92/600886792.db2.gz YGKLWJHXGBVUEE-UHFFFAOYSA-N -2 0 390.461 2.880 20 0 GFADRL COCCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000506710028 600889954 /nfs/dbraw/zinc/88/99/54/600889954.db2.gz CDEKKEUCMIFNQR-UHFFFAOYSA-N -2 0 379.434 2.828 20 0 GFADRL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000607030548 600899359 /nfs/dbraw/zinc/89/93/59/600899359.db2.gz FKJIXNOKXSJVRE-UHFFFAOYSA-N -2 0 393.417 2.562 20 0 GFADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000524813159 600899570 /nfs/dbraw/zinc/89/95/70/600899570.db2.gz IOUYCEHBWQHSBU-UHFFFAOYSA-N -2 0 395.408 2.995 20 0 GFADRL C[C@@H](CCc1cccc(F)c1)C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000827428488 600944661 /nfs/dbraw/zinc/94/46/61/600944661.db2.gz XNQHRDIQLKSXIC-LBPRGKRZSA-N -2 0 379.409 2.598 20 0 GFADRL Cn1c(C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)ccc1-c1ccccc1 ZINC000833038377 600945210 /nfs/dbraw/zinc/94/52/10/600945210.db2.gz DXPOOYBOOWPLEV-UHFFFAOYSA-N -2 0 384.413 2.509 20 0 GFADRL C[C@H](c1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1)N1CCOCC1 ZINC000827936017 600980688 /nfs/dbraw/zinc/98/06/88/600980688.db2.gz ZKKTYPIVERTOJX-GFCCVEGCSA-N -2 0 396.490 2.640 20 0 GFADRL Cc1cc(S(=O)(=O)N(CCC(=O)[O-])c2cccc(F)c2)sc1C(=O)[O-] ZINC000738474641 601118244 /nfs/dbraw/zinc/11/82/44/601118244.db2.gz RELIHRXOYCBJRJ-UHFFFAOYSA-N -2 0 387.410 2.564 20 0 GFADRL Cc1oc(S(=O)(=O)N[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)cc1C(=O)[O-] ZINC000580548310 601217516 /nfs/dbraw/zinc/21/75/16/601217516.db2.gz NPDIZHMEKBHQGX-ZBFHGGJFSA-N -2 0 383.397 2.624 20 0 GFADRL Cc1ccc(O)c([N-]S(=O)(=O)c2ccc(Br)c(C(=O)[O-])c2)c1 ZINC000756784362 601251385 /nfs/dbraw/zinc/25/13/85/601251385.db2.gz DZWOFFUOJSYOAT-UHFFFAOYSA-N -2 0 386.223 2.962 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1SC ZINC000013278896 601319772 /nfs/dbraw/zinc/31/97/72/601319772.db2.gz MMLFZSOSMWSTRP-UHFFFAOYSA-N -3 0 397.430 2.614 20 0 GFADRL CC(C)(C(=O)[O-])c1ccc(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000736232818 601332280 /nfs/dbraw/zinc/33/22/80/601332280.db2.gz OSXHFUGMNNRSBY-UHFFFAOYSA-N -2 0 381.381 2.687 20 0 GFADRL COC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC000831439941 601332960 /nfs/dbraw/zinc/33/29/60/601332960.db2.gz HBJRLWUMXXDQPB-UHFFFAOYSA-N -2 0 399.808 2.634 20 0 GFADRL COc1ccc2nc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3OC)sc2c1 ZINC000013358472 601357716 /nfs/dbraw/zinc/35/77/16/601357716.db2.gz LZDGGXMGVAMVRS-UHFFFAOYSA-N -2 0 394.430 2.813 20 0 GFADRL Cc1cc(F)cc(S(=O)(=O)[N-]c2nc3nc(C)cc(C(=O)[O-])c3s2)c1 ZINC000832887816 601360397 /nfs/dbraw/zinc/36/03/97/601360397.db2.gz KGUJPQRQPGKWAD-UHFFFAOYSA-N -2 0 381.410 2.946 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)ncc1Br ZINC000388089676 601395983 /nfs/dbraw/zinc/39/59/83/601395983.db2.gz CVBMOEACJOFSPG-UHFFFAOYSA-N -2 0 389.202 2.791 20 0 GFADRL CC1=C(C(=O)[O-])[C@H](c2cc(F)c(O)c(F)c2)NC(=O)N1CCCCCC(=O)[O-] ZINC000828134520 601396795 /nfs/dbraw/zinc/39/67/95/601396795.db2.gz HNUKALYJRRKCQM-HNNXBMFYSA-N -2 0 398.362 2.740 20 0 GFADRL O=C([O-])c1cc(NCCCc2n[nH]c(=O)[n-]2)c2cc(Br)ccc2n1 ZINC000833299626 601446528 /nfs/dbraw/zinc/44/65/28/601446528.db2.gz DDURPODAILCHDD-UHFFFAOYSA-N -2 0 392.213 2.564 20 0 GFADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ccc(F)c(Br)c1 ZINC000833345413 601485523 /nfs/dbraw/zinc/48/55/23/601485523.db2.gz SFAWXIYTNDHMLR-UHFFFAOYSA-N -2 0 381.204 2.544 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(-c3ccccc3)[nH]n2)cc(F)c1F ZINC000833303992 601487982 /nfs/dbraw/zinc/48/79/82/601487982.db2.gz FMXJKFNLQTYBDZ-UHFFFAOYSA-N -2 0 379.344 2.854 20 0 GFADRL COc1cc(OC)c([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])cc1F ZINC000832030614 601490101 /nfs/dbraw/zinc/49/01/01/601490101.db2.gz UZCRCUGLFLRNFZ-UHFFFAOYSA-N -2 0 389.788 2.995 20 0 GFADRL CC[C@@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000828586277 601500498 /nfs/dbraw/zinc/50/04/98/601500498.db2.gz CQJCTKMOKHSYRI-GFCCVEGCSA-N -2 0 381.372 2.510 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2nnc(Cc3ccccc3)s2)cc1C(=O)[O-] ZINC000832956515 601502756 /nfs/dbraw/zinc/50/27/56/601502756.db2.gz JVGOJWOUARZGBA-UHFFFAOYSA-N -2 0 389.458 2.936 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2ccc(Oc3nccc(C)n3)cc2)cc1C(=O)[O-] ZINC000832983814 601559194 /nfs/dbraw/zinc/55/91/94/601559194.db2.gz GTUGJGNEWJGILE-UHFFFAOYSA-N -2 0 389.389 2.978 20 0 GFADRL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])s1 ZINC000827049492 601575894 /nfs/dbraw/zinc/57/58/94/601575894.db2.gz VQOLAAJWMQNJET-UHFFFAOYSA-N -3 0 399.446 2.661 20 0 GFADRL COc1ccccc1-c1cc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])n[nH]1 ZINC000832577742 601604717 /nfs/dbraw/zinc/60/47/17/601604717.db2.gz PELSNCKJUJMOHA-UHFFFAOYSA-N -2 0 391.380 2.723 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(-c3ccccc3)[nH]n2)c(F)cc1F ZINC000833304055 601605761 /nfs/dbraw/zinc/60/57/61/601605761.db2.gz OABQPFCCOVTORA-UHFFFAOYSA-N -2 0 379.344 2.854 20 0 GFADRL CC[C@H](NC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1)C(=O)[O-] ZINC000828964995 601750013 /nfs/dbraw/zinc/75/00/13/601750013.db2.gz SNALDTGRNSNULJ-AWEZNQCLSA-N -2 0 396.852 2.734 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2c(-c3ccccc3)nc3ccccn32)c[nH]1 ZINC000833304302 601770504 /nfs/dbraw/zinc/77/05/04/601770504.db2.gz XRRJAMMAPJPYDG-UHFFFAOYSA-N -2 0 382.401 2.828 20 0 GFADRL CCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000013262306 601826472 /nfs/dbraw/zinc/82/64/72/601826472.db2.gz CUBKDSHOCPQNHG-UHFFFAOYSA-N -2 0 396.852 2.979 20 0 GFADRL Cc1cc(Br)ccc1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000832858437 601831773 /nfs/dbraw/zinc/83/17/73/601831773.db2.gz IBTWYEUKVJYJJK-UHFFFAOYSA-N -2 0 377.241 2.713 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2OC(F)F)cc1C(=O)[O-] ZINC000470439044 601855062 /nfs/dbraw/zinc/85/50/62/601855062.db2.gz SMCDACFOHKVNPE-UHFFFAOYSA-N -2 0 391.323 2.935 20 0 GFADRL O=C([O-])c1ccc(NC(=O)CCn2c(=O)c3ccccc3[n-]c2=S)cc1F ZINC000833103730 601878792 /nfs/dbraw/zinc/87/87/92/601878792.db2.gz CVQNYLFNLYORHQ-UHFFFAOYSA-N -2 0 387.392 2.551 20 0 GFADRL C[C@@H](Oc1ccc(/C=C/c2nc3ccccc3c(=O)n2CC(=O)[O-])cc1)C(=O)[O-] ZINC000827884309 602149344 /nfs/dbraw/zinc/14/93/44/602149344.db2.gz BMYDADDDWWUJBY-RUNBWSAHSA-N -2 0 394.383 2.503 20 0 GFADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(N3CCCC[C@@H]3C)cc2C)c1C(=O)[O-] ZINC000832891220 602175918 /nfs/dbraw/zinc/17/59/18/602175918.db2.gz PAVQRYFBGJUOCY-LBPRGKRZSA-N -2 0 392.481 2.904 20 0 GFADRL COc1cc(OC)c(OC)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000481614490 602202767 /nfs/dbraw/zinc/20/27/67/602202767.db2.gz LJDFJFSOGVFPMF-UHFFFAOYSA-N -2 0 381.406 2.520 20 0 GFADRL Cn1cc(S(=O)(=O)[N-]c2nnc(-c3ccccc3Cl)s2)cc1C(=O)[O-] ZINC000833055329 602212713 /nfs/dbraw/zinc/21/27/13/602212713.db2.gz HMZWPQCRDVTOSO-UHFFFAOYSA-N -2 0 398.853 2.696 20 0 GFADRL O=C([O-])N1CCc2cc([N-]S(=O)(=O)c3cnn(-c4ccccc4)c3)ccc21 ZINC000740529568 602244531 /nfs/dbraw/zinc/24/45/31/602244531.db2.gz NEESEVVJGIDPDE-UHFFFAOYSA-N -2 0 384.417 2.714 20 0 GFADRL O=C([O-])C[C@H](NC(=O)c1nn(-c2ccccc2F)cc1[O-])c1cccs1 ZINC000833199786 602299729 /nfs/dbraw/zinc/29/97/29/602299729.db2.gz FBBXXCLFOZNJSO-NSHDSACASA-N -2 0 375.381 2.724 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nnc(-c2ccccc2)s1 ZINC000832208875 602306163 /nfs/dbraw/zinc/30/61/63/602306163.db2.gz ZTJIXHUREVTDNV-UHFFFAOYSA-N -2 0 391.430 2.713 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C2CCCCC2)[nH]n1 ZINC000832204108 602308177 /nfs/dbraw/zinc/30/81/77/602308177.db2.gz DLUJFSLSUQHBHS-UHFFFAOYSA-N -2 0 379.438 2.965 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2OCC(F)F)ccc1F ZINC000761908825 602321035 /nfs/dbraw/zinc/32/10/35/602321035.db2.gz VVIODEQVRYVDNN-UHFFFAOYSA-N -2 0 375.324 2.969 20 0 GFADRL COc1ccc(NC(=O)[O-])c([N-]S(=O)(=O)c2ccc(N(C)C(C)=O)cc2)c1 ZINC000829474778 603241846 /nfs/dbraw/zinc/24/18/46/603241846.db2.gz PLAQSTVNJUZXAM-UHFFFAOYSA-N -2 0 393.421 2.569 20 0 GFADRL O=C([O-])Nc1ccc(C(=O)[N-]S(=O)(=O)CCSc2ccccc2)cc1 ZINC000832838066 603520116 /nfs/dbraw/zinc/52/01/16/603520116.db2.gz DDJCLNNUYQMKNR-UHFFFAOYSA-N -2 0 380.447 2.628 20 0 GFADRL CN(C[C@H]1CCN(C(=O)c2cc(Cl)cc(Br)c2[O-])C1)C(=O)[O-] ZINC000828253494 603839696 /nfs/dbraw/zinc/83/96/96/603839696.db2.gz NVAHNUOPJNEPHS-MRVPVSSYSA-N -2 0 391.649 2.880 20 0 GFADRL CC(=O)c1ccc(S(=O)(=O)[N-]c2cc3c(cc2NC(=O)[O-])OCO3)cc1 ZINC000823636205 603886846 /nfs/dbraw/zinc/88/68/46/603886846.db2.gz TYJGUNSZGQKIAU-UHFFFAOYSA-N -2 0 378.362 2.509 20 0 GFADRL O=C([O-])NCCOc1cccc([N-]S(=O)(=O)c2cc3ccccc3o2)c1 ZINC000832672112 604013350 /nfs/dbraw/zinc/01/33/50/604013350.db2.gz MVKDWZRCMACSBM-UHFFFAOYSA-N -2 0 376.390 2.880 20 0 GFADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000829855392 604314861 /nfs/dbraw/zinc/31/48/61/604314861.db2.gz UITNRQZLJFACID-NSHDSACASA-N -2 0 378.406 2.823 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2nnc(C(F)(F)F)s2)ccc1Cl ZINC000833306430 604403195 /nfs/dbraw/zinc/40/31/95/604403195.db2.gz SBILICHTXARLMB-UHFFFAOYSA-N -2 0 387.748 2.709 20 0 GFADRL O=C([O-])NCc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cc1 ZINC000833280785 604771987 /nfs/dbraw/zinc/77/19/87/604771987.db2.gz QAFUAHLYBIHFTN-UHFFFAOYSA-N -3 0 384.797 2.607 20 0 GFADRL CCC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C(=O)OC)c1 ZINC000828580280 604806420 /nfs/dbraw/zinc/80/64/20/604806420.db2.gz FWAJCNJIJBXTEC-UHFFFAOYSA-N -2 0 391.401 2.565 20 0 GFADRL Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])c(F)c2)c1C ZINC000832872478 604878937 /nfs/dbraw/zinc/87/89/37/604878937.db2.gz XJKWIOWLJVEMLG-UHFFFAOYSA-N -2 0 379.409 2.876 20 0 GFADRL CC(C)Cc1nnc([N-]S(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)s1 ZINC000328037465 605133340 /nfs/dbraw/zinc/13/33/40/605133340.db2.gz LUTBQGSQDWQTMD-UHFFFAOYSA-N -2 0 381.479 2.654 20 0 GFADRL CC(C)Cc1nnc([N-]S(=O)(=O)c2cccc3c2ccnc3C(=O)[O-])s1 ZINC000833494956 605181418 /nfs/dbraw/zinc/18/14/18/605181418.db2.gz VBJMEXNIRMBLRU-UHFFFAOYSA-N -2 0 392.462 2.784 20 0 GFADRL CCn1c(=O)c2ccc(C(=O)O[C@@H](CC(C)(C)C)C(=O)[O-])cc2[n-]c1=S ZINC000833683293 605236923 /nfs/dbraw/zinc/23/69/23/605236923.db2.gz HNROXTLJEJYPOT-ZDUSSCGKSA-N -2 0 378.450 2.751 20 0 GFADRL CC(C)(C)n1cnc([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])n1 ZINC000833451345 605343550 /nfs/dbraw/zinc/34/35/50/605343550.db2.gz DMRUHLVYQBXUNL-UHFFFAOYSA-N -2 0 380.451 2.747 20 0 GFADRL O=C([O-])N[C@H](CCC(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F)c1ccccc1 ZINC000834137187 606050229 /nfs/dbraw/zinc/05/02/29/606050229.db2.gz JQFFLXRYZAFKMZ-NVXWUHKLSA-N -2 0 392.358 2.996 20 0 GFADRL O=C([O-])C[C@@H](NC(=O)c1ccc(CNC(=O)[O-])cc1)c1ccc(F)cc1F ZINC000834061426 606068099 /nfs/dbraw/zinc/06/80/99/606068099.db2.gz UFXPCZLCYFYTHX-OAHLLOKOSA-N -2 0 378.331 2.678 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2cnc3c(c2)C[C@H](NC(=O)[O-])CC3)c(C)s1 ZINC000833901117 606078437 /nfs/dbraw/zinc/07/84/37/606078437.db2.gz JLJXLEFGRIKUJQ-GFCCVEGCSA-N -2 0 381.479 2.686 20 0 GFADRL CC(C)CNC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000013300864 654504341 /nfs/dbraw/zinc/50/43/41/654504341.db2.gz JUIXTWMFPHZIQQ-UHFFFAOYSA-N -2 0 382.463 2.633 20 0 GFADRL CCn1cnnc1-c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000032096214 654599762 /nfs/dbraw/zinc/59/97/62/654599762.db2.gz KQBZDTCGHVNABH-UHFFFAOYSA-N -2 0 378.435 2.526 20 0 GFADRL COC(=O)c1cc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)ccc1Cl ZINC000042792016 654644791 /nfs/dbraw/zinc/64/47/91/654644791.db2.gz QLLAUGZUDIIDAM-UHFFFAOYSA-N -2 0 389.838 2.996 20 0 GFADRL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000042796661 654645217 /nfs/dbraw/zinc/64/52/17/654645217.db2.gz FHFDQFBSYJBJED-UHFFFAOYSA-N -2 0 385.781 2.551 20 0 GFADRL CCNC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c(C)c1 ZINC000048382815 654705868 /nfs/dbraw/zinc/70/58/68/654705868.db2.gz WWTZVFNZJJYLLM-UHFFFAOYSA-N -2 0 382.463 2.614 20 0 GFADRL Cc1cscc1CNS(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000122525473 654739015 /nfs/dbraw/zinc/73/90/15/654739015.db2.gz MGOQFJUSAHCXOE-UHFFFAOYSA-N -2 0 380.241 2.589 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Cl)nc2)cc1Br ZINC000747604672 655780451 /nfs/dbraw/zinc/78/04/51/655780451.db2.gz POFHDJUSQPUMAL-UHFFFAOYSA-N -2 0 391.630 2.997 20 0 GFADRL COc1cc(S(=O)(=O)[N-]c2ccc3c(c2)[nH]cc3C(=O)[O-])cnc1Cl ZINC000767462458 656204563 /nfs/dbraw/zinc/20/45/63/656204563.db2.gz NESXALMIDANPDV-UHFFFAOYSA-N -2 0 381.797 2.724 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2O)c(Br)cc1F ZINC000771140357 656341087 /nfs/dbraw/zinc/34/10/87/656341087.db2.gz GNTXVJBWAINRSB-UHFFFAOYSA-N -2 0 390.186 2.793 20 0 GFADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000776520998 656750238 /nfs/dbraw/zinc/75/02/38/656750238.db2.gz SKHVLQAJOZANHA-IMTBSYHQSA-N -2 0 379.278 2.701 20 0 GFADRL CC(C)(CC[N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)CCC(=O)[O-] ZINC000776574238 656761856 /nfs/dbraw/zinc/76/18/56/656761856.db2.gz OQBWRMPERHINHC-UHFFFAOYSA-N -2 0 389.342 2.942 20 0 GFADRL CCC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)[O-] ZINC000776583294 656762922 /nfs/dbraw/zinc/76/29/22/656762922.db2.gz FOIKIQHXGSWKDQ-RNFRBKRXSA-N -2 0 389.342 2.940 20 0 GFADRL C[C@@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000776638640 656773408 /nfs/dbraw/zinc/77/34/08/656773408.db2.gz PLMDJPAPYDCWDH-DXRPGJJCSA-N -2 0 387.326 2.694 20 0 GFADRL Cc1ccc(CO)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)c(Cl)c1F ZINC000779836453 656947528 /nfs/dbraw/zinc/94/75/28/656947528.db2.gz FTWYFNASRRMFRM-UHFFFAOYSA-N -2 0 391.779 2.918 20 0 GFADRL COc1ncc(C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)c(Cl)c1F ZINC000779839199 656948323 /nfs/dbraw/zinc/94/83/23/656948323.db2.gz NXKFKQNOFSPACJ-UHFFFAOYSA-N -2 0 392.767 2.829 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2cnn(C)c2C(F)(F)F)cc(C(=O)[O-])c1Cl ZINC000780424651 657005314 /nfs/dbraw/zinc/00/53/14/657005314.db2.gz HNHQMAHUAZMOJG-UHFFFAOYSA-N -2 0 397.762 2.900 20 0 GFADRL COC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)cc1F ZINC000782921788 657194161 /nfs/dbraw/zinc/19/41/61/657194161.db2.gz GNMOYRSOFAAYHW-UHFFFAOYSA-N -2 0 388.398 2.873 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3[nH]c(=O)[nH]c32)cc(Cl)c1F ZINC000811716781 660014728 /nfs/dbraw/zinc/01/47/28/660014728.db2.gz NYPPUAIYRQVDHY-UHFFFAOYSA-N -2 0 385.760 2.560 20 0 GFADRL CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1C ZINC000863957167 662351064 /nfs/dbraw/zinc/35/10/64/662351064.db2.gz YNXUBPOQWNVSMW-UHFFFAOYSA-N -2 0 381.372 2.710 20 0 GFADRL CCS(=O)(CC)=NS(=O)(=O)[N-]c1cc(C)cc(Br)c1[O-] ZINC000872361609 662762473 /nfs/dbraw/zinc/76/24/73/662762473.db2.gz JHFYSVDAXKFJCW-UHFFFAOYSA-N -2 0 385.305 2.628 20 0 GFADRL O=C([O-])CCCCC(=O)N1CC[C@@H](C(=O)[O-])c2cc(Br)ccc21 ZINC000902324879 663759475 /nfs/dbraw/zinc/75/94/75/663759475.db2.gz OEHSXGTUTJIHFF-LLVKDONJSA-N -2 0 384.226 2.999 20 0 GFADRL CC[C@H](CNS(=O)(=O)c1ccc(Br)cc1Cl)CC(=O)[O-] ZINC000147393158 551397988 /nfs/dbraw/zinc/39/79/88/551397988.db2.gz XCAHGMFQDMIPIH-QMMMGPOBSA-N -2 0 384.679 2.882 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2[N-]S(C)(=O)=O)c(C)s1 ZINC000179765227 552202630 /nfs/dbraw/zinc/20/26/30/552202630.db2.gz GJUVWOUEDNFMRL-UHFFFAOYSA-N -2 0 378.472 2.676 20 0 GFADRL C[C@H](CCNS(=O)(=O)c1c(Cl)cccc1Br)CC(=O)[O-] ZINC000282993453 563432612 /nfs/dbraw/zinc/43/26/12/563432612.db2.gz NGAXZEOEDUJKPC-MRVPVSSYSA-N -2 0 384.679 2.882 20 0 GFADRL CCn1cc(S(=O)(=O)[N-]c2ccccc2OC(F)(F)F)cc1C(=O)[O-] ZINC000392278312 563526413 /nfs/dbraw/zinc/52/64/13/563526413.db2.gz DZOJOPLBIXEPMB-UHFFFAOYSA-N -2 0 378.328 2.906 20 0 GFADRL Cc1c(Br)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000433526852 563615001 /nfs/dbraw/zinc/61/50/01/563615001.db2.gz XMZJWWVWTTZWNY-UHFFFAOYSA-N -2 0 386.223 2.962 20 0 GFADRL O=C([N-]C[C@@H]1CCCN(C(=O)c2cc(F)c([O-])c(Cl)c2)C1)C(F)(F)F ZINC000291047585 563730901 /nfs/dbraw/zinc/73/09/01/563730901.db2.gz GQLSICOVACSTEQ-QMMMGPOBSA-N -2 0 382.741 2.715 20 0 GFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)cc1OC ZINC000447778075 563886024 /nfs/dbraw/zinc/88/60/24/563886024.db2.gz HWMYDBKNMXUOKK-UHFFFAOYSA-N -2 0 385.825 2.785 20 0 GFADRL CCSc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC000505318114 564180360 /nfs/dbraw/zinc/18/03/60/564180360.db2.gz SPFBKOKGZWCZDB-UHFFFAOYSA-N -2 0 381.431 2.996 20 0 GFADRL Cc1cc(Br)ccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1O ZINC000471941171 564208064 /nfs/dbraw/zinc/20/80/64/564208064.db2.gz FFUPYSZFYVTZBG-UHFFFAOYSA-N -2 0 386.223 2.962 20 0 GFADRL COC(=O)[C@@H](CS(=O)(=O)[N-]c1cc(F)cc(Cl)c1[O-])c1ccccc1 ZINC000507908991 564248365 /nfs/dbraw/zinc/24/83/65/564248365.db2.gz OXZFQBQFDQXWOZ-LBPRGKRZSA-N -2 0 387.816 2.883 20 0 GFADRL COC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])c1 ZINC000541075601 564266183 /nfs/dbraw/zinc/26/61/83/564266183.db2.gz JWVQYZMTFDXVIQ-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])sc1C(=O)[O-] ZINC000509659370 564308231 /nfs/dbraw/zinc/30/82/31/564308231.db2.gz RUZFMJJDANQRDL-UHFFFAOYSA-N -3 0 375.811 2.907 20 0 GFADRL Cc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000475732658 564317538 /nfs/dbraw/zinc/31/75/38/564317538.db2.gz IGEXCLLKRPPICO-UHFFFAOYSA-N -2 0 383.809 2.775 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C[C@@H](C)C(=O)[O-])cc2)cs1 ZINC000542731439 564322627 /nfs/dbraw/zinc/32/26/27/564322627.db2.gz ORECOYMGXGTTSZ-SNVBAGLBSA-N -2 0 383.447 2.599 20 0 GFADRL CCOc1cc([N-]S(=O)(=O)c2cnc(C)s2)c(C(=O)[O-])cc1OCC ZINC000543658004 564357870 /nfs/dbraw/zinc/35/78/70/564357870.db2.gz SKSIEQDDGQFNOZ-UHFFFAOYSA-N -2 0 386.451 2.748 20 0 GFADRL Cc1cc(Br)c(O)c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000477361131 564374216 /nfs/dbraw/zinc/37/42/16/564374216.db2.gz QOLVDNZBQCWBLK-UHFFFAOYSA-N -2 0 386.223 2.962 20 0 GFADRL Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)c1 ZINC000479207256 564431006 /nfs/dbraw/zinc/43/10/06/564431006.db2.gz JDSQCTAHCXHVKQ-UHFFFAOYSA-N -2 0 386.223 2.962 20 0 GFADRL COc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2cnc(C)s2)cc1OC(F)F ZINC000547907667 564519325 /nfs/dbraw/zinc/51/93/25/564519325.db2.gz AXALXEQZRCKLNK-UHFFFAOYSA-N -2 0 394.377 2.561 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3ncon3)cc2)c(Cl)c1 ZINC000489694206 564749137 /nfs/dbraw/zinc/74/91/37/564749137.db2.gz HCOIXKOFNGNXGU-UHFFFAOYSA-N -2 0 379.781 2.889 20 0 GFADRL O=C([O-])[C@@H](CC1CCC1)[N-]S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000530473305 564883829 /nfs/dbraw/zinc/88/38/29/564883829.db2.gz HEQBCQLGDWUMLF-LLVKDONJSA-N -2 0 398.225 2.649 20 0 GFADRL CSc1ccccc1S(=O)(=O)[N-]c1ccc(NC(C)=O)cc1C(=O)[O-] ZINC000558736737 564913184 /nfs/dbraw/zinc/91/31/84/564913184.db2.gz OYIRCSPEXCSREI-UHFFFAOYSA-N -2 0 380.447 2.866 20 0 GFADRL CCc1onc(C)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Br ZINC000534615093 564993381 /nfs/dbraw/zinc/99/33/81/564993381.db2.gz HMOMAYGMMBUIRS-UHFFFAOYSA-N -2 0 389.227 2.807 20 0 GFADRL Cc1ccc(Br)c(NS(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])c1 ZINC000534902054 564998792 /nfs/dbraw/zinc/99/87/92/564998792.db2.gz HSROMHKTWCSDMT-UHFFFAOYSA-N -2 0 386.223 2.962 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(Br)cc(Cl)c2O)c[nH]1 ZINC000535614363 565017039 /nfs/dbraw/zinc/01/70/39/565017039.db2.gz OXRLPDJOKUBBBZ-UHFFFAOYSA-N -2 0 395.618 2.635 20 0 GFADRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1c[nH]c2ncccc21 ZINC000505123249 565049417 /nfs/dbraw/zinc/04/94/17/565049417.db2.gz GEXVEAQUPTUEPX-UHFFFAOYSA-N -2 0 381.797 2.724 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(N3CCCCC3=O)c2)cs1 ZINC000614792102 565133092 /nfs/dbraw/zinc/13/30/92/565133092.db2.gz WCBUMWGVNRGABW-UHFFFAOYSA-N -2 0 380.447 2.764 20 0 GFADRL O=C([O-])c1cc([N-]S(=O)(=O)c2cccnc2OCC(F)F)ccc1Cl ZINC000647922894 565683832 /nfs/dbraw/zinc/68/38/32/565683832.db2.gz QUISSBPHSAXQJO-UHFFFAOYSA-N -2 0 392.767 2.878 20 0 GFADRL CCO[C@H](CS(=O)(=O)[N-]c1c(OC)ccc(Cl)c1C(=O)[O-])C1CC1 ZINC000629288195 565835729 /nfs/dbraw/zinc/83/57/29/565835729.db2.gz DBWCPHMIWVDZRG-GFCCVEGCSA-N -2 0 377.846 2.604 20 0 GFADRL CC(C)c1nc(S(=O)(=O)[N-]c2ccc(Br)cc2C(=O)[O-])c[nH]1 ZINC000673884415 565851520 /nfs/dbraw/zinc/85/15/20/565851520.db2.gz OZZZZAONCYKAEG-UHFFFAOYSA-N -2 0 388.243 2.795 20 0 GFADRL COC(=O)c1csc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)c1C ZINC000611443847 566130606 /nfs/dbraw/zinc/13/06/06/566130606.db2.gz AHFCUIWOYDBEJF-UHFFFAOYSA-N -2 0 375.449 2.712 20 0 GFADRL C[C@@H](NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl)C(=O)[O-] ZINC000034936962 602173258 /nfs/dbraw/zinc/17/32/58/602173258.db2.gz OKYDYHDQATUGRO-SCSAIBSYSA-N -2 0 377.043 2.507 20 0 GFADRL C[C@H]1CN(c2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)cc2F)C[C@H](C)O1 ZINC000736823137 599737716 /nfs/dbraw/zinc/73/77/16/599737716.db2.gz GYWPZBRQUFNJJS-QWRGUYRKSA-N -2 0 398.412 2.531 20 0 GFADRL CCOCCOc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000737176638 599738425 /nfs/dbraw/zinc/73/84/25/599738425.db2.gz HFJAYJDVSWCUIM-UHFFFAOYSA-N -2 0 389.813 2.847 20 0 GFADRL O=C([O-])CCCNC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000428095437 599765311 /nfs/dbraw/zinc/76/53/11/599765311.db2.gz JTDRQKCANKKZJN-UHFFFAOYSA-N -2 0 396.852 2.735 20 0 GFADRL CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)n(-c2ccccn2)n1 ZINC000736295424 599802013 /nfs/dbraw/zinc/80/20/13/599802013.db2.gz YDJKQJVZWUILAC-UHFFFAOYSA-N -2 0 390.421 2.657 20 0 GFADRL CCOc1ccc(OC)cc1[N-]S(=O)(=O)c1ccc(OCCC(=O)[O-])cc1 ZINC000737203268 599852099 /nfs/dbraw/zinc/85/20/99/599852099.db2.gz LTAJJLAWUJWGHW-UHFFFAOYSA-N -2 0 395.433 2.748 20 0 GFADRL CN1C(=O)CCc2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3Cl)ccc21 ZINC000729666871 599854620 /nfs/dbraw/zinc/85/46/20/599854620.db2.gz FTOSFFAHDFRGES-UHFFFAOYSA-N -2 0 394.836 2.748 20 0 GFADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cc(Cl)ccc1C(=O)N(C)C ZINC000477405877 599905664 /nfs/dbraw/zinc/90/56/64/599905664.db2.gz MWOFYNREDAAUFI-UHFFFAOYSA-N -2 0 396.852 2.849 20 0 GFADRL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cc1C(=O)NC(C)C ZINC000738632600 599908834 /nfs/dbraw/zinc/90/88/34/599908834.db2.gz JGMCIXVGOXQLFQ-UHFFFAOYSA-N -2 0 382.463 2.694 20 0 GFADRL COc1cc(F)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(F)cc2F)c(F)c1 ZINC000737890430 599926590 /nfs/dbraw/zinc/92/65/90/599926590.db2.gz YZGPPWIYCSFHAH-UHFFFAOYSA-N -2 0 379.287 2.751 20 0 GFADRL Cn1c(=O)c2ccc(C(=O)N[C@H](CCC(=O)[O-])c3ccccc3)cc2[n-]c1=S ZINC000739013745 599952518 /nfs/dbraw/zinc/95/25/18/599952518.db2.gz INTLFKFIEHGZFY-OAHLLOKOSA-N -2 0 397.456 2.558 20 0 GFADRL CC1=C(C(=O)[O-])[C@@H](c2ccc(OCC(=O)[O-])cc2)NC(=O)N1Cc1ccccc1 ZINC000736749711 599982626 /nfs/dbraw/zinc/98/26/26/599982626.db2.gz DZGTVEAZAHTMKR-LJQANCHMSA-N -2 0 396.399 2.775 20 0 GFADRL CC1=C(C(=O)[O-])[C@H](c2ccc3c(c2)CCO3)NC(=O)N1CCCCCC(=O)[O-] ZINC000736751480 599987753 /nfs/dbraw/zinc/98/77/53/599987753.db2.gz QQRYDFXDDPRLAD-SFHVURJKSA-N -2 0 388.420 2.691 20 0 GFADRL Cc1ccsc1Cn1nccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000738798854 600054727 /nfs/dbraw/zinc/05/47/27/600054727.db2.gz OZZYJMZJLYLSPY-UHFFFAOYSA-N -2 0 395.437 2.939 20 0 GFADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccnn2Cc2cccc(C)c2)c1C(=O)[O-] ZINC000738721589 600055766 /nfs/dbraw/zinc/05/57/66/600055766.db2.gz LRDZEFWFEQYGPR-UHFFFAOYSA-N -2 0 389.433 2.949 20 0 GFADRL Cc1ccc(C(C)(C)C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000738546707 600056804 /nfs/dbraw/zinc/05/68/04/600056804.db2.gz KEQINLRZWNDROF-UHFFFAOYSA-N -2 0 375.446 2.617 20 0 GFADRL COc1ccc(CNC(=O)c2cccc(Br)c2[O-])cc1C(=O)[O-] ZINC000738003733 600100899 /nfs/dbraw/zinc/10/08/99/600100899.db2.gz JYSIAARKPJZHOH-UHFFFAOYSA-N -2 0 380.194 2.792 20 0 GFADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]NC(=O)CCC2CCCCC2)c1 ZINC000066588597 600102337 /nfs/dbraw/zinc/10/23/37/600102337.db2.gz PMFLDKVBGOGIOL-UHFFFAOYSA-N -2 0 388.873 2.708 20 0 GFADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ncccc2OC(F)F)c1 ZINC000740133737 600104445 /nfs/dbraw/zinc/10/44/45/600104445.db2.gz CGKALADLYVYJFW-UHFFFAOYSA-N -2 0 378.740 2.835 20 0 GFADRL CC(=O)Nc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)ccc1F ZINC000736160811 600230408 /nfs/dbraw/zinc/23/04/08/600230408.db2.gz JDOZLTREGUGJQW-UHFFFAOYSA-N -2 0 388.323 2.561 20 0 GFADRL CCCOc1ccc([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])cc1OCCC ZINC000737030763 600230451 /nfs/dbraw/zinc/23/04/51/600230451.db2.gz GANIFEWYNQMYGN-UHFFFAOYSA-N -2 0 397.453 2.795 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(c2)OC(F)(F)O3)c(F)cc1F ZINC000740089965 600231716 /nfs/dbraw/zinc/23/17/16/600231716.db2.gz QIQRTIUVTFNRSF-UHFFFAOYSA-N -2 0 393.270 2.785 20 0 GFADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccccc2COc2ccccc2)c1C(=O)[O-] ZINC000738828498 600234326 /nfs/dbraw/zinc/23/43/26/600234326.db2.gz YIYQUJFORYTBTE-UHFFFAOYSA-N -2 0 387.417 2.796 20 0 GFADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccccc2-c2nc3ccccc3[nH]2)c1C(=O)[O-] ZINC000738337975 600236571 /nfs/dbraw/zinc/23/65/71/600236571.db2.gz NYUCPFGBCCWNEE-UHFFFAOYSA-N -2 0 397.416 2.760 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)n(-c2ccc(F)cc2)n1 ZINC000738463721 600244371 /nfs/dbraw/zinc/24/43/71/600244371.db2.gz RLFNQNINKBJGKU-UHFFFAOYSA-N -2 0 389.408 2.748 20 0 GFADRL CC(C)OC(=O)NCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC000265306811 600254433 /nfs/dbraw/zinc/25/44/33/600254433.db2.gz ZVPRFBGNDBOEAA-UHFFFAOYSA-N -2 0 398.462 2.882 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2cc(Br)ccc2F)c(C(=O)[O-])[nH]1 ZINC000738461546 600255856 /nfs/dbraw/zinc/25/58/56/600255856.db2.gz GVXNCJURLRQFOE-UHFFFAOYSA-N -2 0 377.191 2.724 20 0 GFADRL Cc1[nH]c(C([O-])=CS(=O)(=O)[C@H](C)c2ccc(F)c(F)c2)c(C)c1C(=O)[O-] ZINC000738156954 600272149 /nfs/dbraw/zinc/27/21/49/600272149.db2.gz YNDVRAZCZVBVAB-SNVBAGLBSA-N -2 0 385.388 2.967 20 0 GFADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000737257387 600299697 /nfs/dbraw/zinc/29/96/97/600299697.db2.gz OAURZRWWWSJQQS-UHFFFAOYSA-N -2 0 392.433 2.858 20 0 GFADRL CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC000538465072 600495169 /nfs/dbraw/zinc/49/51/69/600495169.db2.gz PFQVHVMETKJRCQ-UHFFFAOYSA-N -2 0 392.433 2.554 20 0 GFADRL CC(C)[C@H](C)CNS(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000736354749 600588233 /nfs/dbraw/zinc/58/82/33/600588233.db2.gz JDKHUUGBAUCXNR-MRVPVSSYSA-N -2 0 382.251 2.857 20 0 GFADRL CC(C)c1cccc(C(=O)[O-])c1NS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000481949372 600627444 /nfs/dbraw/zinc/62/74/44/600627444.db2.gz BGHADPNDJJPWEC-UHFFFAOYSA-N -2 0 377.418 2.936 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3[nH]c([C@H]4CCCO4)nc3c2)cs1 ZINC000299292011 600677033 /nfs/dbraw/zinc/67/70/33/600677033.db2.gz KASWBWPAFHIGHQ-CYBMUJFWSA-N -2 0 393.446 2.975 20 0 GFADRL Cc1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1C(=O)NC(C)C ZINC000264653835 600682332 /nfs/dbraw/zinc/68/23/32/600682332.db2.gz QYYQTUNYUYJMOX-UHFFFAOYSA-N -2 0 382.463 2.694 20 0 GFADRL COC(=O)c1cc([N-]S(=O)(=O)c2ccc(F)cc2Cl)ccc1C(=O)[O-] ZINC000831327774 600687831 /nfs/dbraw/zinc/68/78/31/600687831.db2.gz ORGFNSRKWMQUPT-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL CCN(CC)C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000057124534 600812283 /nfs/dbraw/zinc/81/22/83/600812283.db2.gz QZOWGYLMRKSOTD-UHFFFAOYSA-N -2 0 390.461 2.976 20 0 GFADRL CCNC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000067244306 600815602 /nfs/dbraw/zinc/81/56/02/600815602.db2.gz ICFCLMZBRPAPIW-UHFFFAOYSA-N -2 0 396.852 2.897 20 0 GFADRL CCNC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000506725684 600890111 /nfs/dbraw/zinc/89/01/11/600890111.db2.gz ITJMQWAAUVHNNY-UHFFFAOYSA-N -2 0 396.852 2.897 20 0 GFADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000736424194 600894361 /nfs/dbraw/zinc/89/43/61/600894361.db2.gz RYSPUMZDFOTQMQ-JTQLQIEISA-N -2 0 381.431 2.522 20 0 GFADRL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)c1 ZINC000438766445 600899934 /nfs/dbraw/zinc/89/99/34/600899934.db2.gz RRQWVSVGNPPJMM-UHFFFAOYSA-N -3 0 393.417 2.562 20 0 GFADRL COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000265729959 600900161 /nfs/dbraw/zinc/90/01/61/600900161.db2.gz BBNYOIJDWBOMPQ-UHFFFAOYSA-N -2 0 383.447 2.698 20 0 GFADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000833348331 600938808 /nfs/dbraw/zinc/93/88/08/600938808.db2.gz SYWOHWCPGYOCJI-SCLBCKFNSA-N -2 0 391.470 2.545 20 0 GFADRL C[C@@]1(C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)CCc2ccccc2C1 ZINC000827976105 600943438 /nfs/dbraw/zinc/94/34/38/600943438.db2.gz ISFIAPYSPOKMBQ-HXUWFJFHSA-N -2 0 387.457 2.526 20 0 GFADRL O=C([O-])c1cc(C(F)(F)F)cc(S(=O)(=O)[N-]C(=O)CCC(F)(F)F)c1 ZINC000833096736 600945254 /nfs/dbraw/zinc/94/52/54/600945254.db2.gz UTLZYANCUJUWII-UHFFFAOYSA-N -2 0 393.261 2.551 20 0 GFADRL CCc1c([O-])nc(SC/C=C(/C)C(=O)[O-])n(-c2ccccc2OC)c1=O ZINC000737251075 601099715 /nfs/dbraw/zinc/09/97/15/601099715.db2.gz OESOQOYAGSIEIW-LUAWRHEFSA-N -2 0 376.434 2.632 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCC3)cc2)cc1C(=O)[O-] ZINC000833029631 601233310 /nfs/dbraw/zinc/23/33/10/601233310.db2.gz JSVRJAAMJUAMKT-UHFFFAOYSA-N -2 0 392.433 2.759 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2ccc(OC3CCOCC3)c(C)c2)cc1C(=O)[O-] ZINC000832898819 601234102 /nfs/dbraw/zinc/23/41/02/601234102.db2.gz URKNUECXWMXCOV-UHFFFAOYSA-N -2 0 395.433 2.953 20 0 GFADRL O=C([O-])[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000833183214 601235800 /nfs/dbraw/zinc/23/58/00/601235800.db2.gz BMMRQHGLCSMHSI-DTWKUNHWSA-N -2 0 380.249 2.689 20 0 GFADRL CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000013278929 601320000 /nfs/dbraw/zinc/32/00/00/601320000.db2.gz YFJWDYAWLJIHGD-UHFFFAOYSA-N -2 0 385.394 2.745 20 0 GFADRL COCCOc1cc(C)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1OC ZINC000048382772 601325189 /nfs/dbraw/zinc/32/51/89/601325189.db2.gz IOANGVAEKWYMHV-UHFFFAOYSA-N -2 0 395.433 2.528 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccnn1[C@@H](C)CC(C)C ZINC000832208707 601358973 /nfs/dbraw/zinc/35/89/73/601358973.db2.gz OIJZJPGHSOWLQU-LBPRGKRZSA-N -2 0 381.454 2.998 20 0 GFADRL CCOC(=O)c1sc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)nc1C ZINC000829895318 601359060 /nfs/dbraw/zinc/35/90/60/601359060.db2.gz OBOHHQYPAXAAPD-TWGQIWQCSA-N -2 0 396.446 2.527 20 0 GFADRL COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC000832373950 601382959 /nfs/dbraw/zinc/38/29/59/601382959.db2.gz OSRQWIBZRYJOLM-UHFFFAOYSA-N -2 0 377.205 2.896 20 0 GFADRL CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000751214553 601485789 /nfs/dbraw/zinc/48/57/89/601485789.db2.gz ADWFUTDTDUFAMT-UHFFFAOYSA-N -2 0 385.344 2.724 20 0 GFADRL O=C([O-])c1nc(Cl)ccc1S(=O)(=O)[N-]c1cc(-c2cccs2)[nH]n1 ZINC000833344436 601488176 /nfs/dbraw/zinc/48/81/76/601488176.db2.gz RNPKBRCAMICNRO-UHFFFAOYSA-N -2 0 384.826 2.686 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(Br)ccc2O)s1 ZINC000833323327 601575356 /nfs/dbraw/zinc/57/53/56/601575356.db2.gz CLAOHXVVTJSDQQ-UHFFFAOYSA-N -2 0 378.225 2.715 20 0 GFADRL C[C@@H](C(=O)[O-])[C@H](NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O)c1ccccc1 ZINC000826044847 601634417 /nfs/dbraw/zinc/63/44/17/601634417.db2.gz MRYQZCTVAWBSES-BMIGLBTASA-N -2 0 383.429 2.816 20 0 GFADRL COCCc1nc2cc([N-]S(=O)(=O)c3c(C)oc(C)c3C(=O)[O-])ccc2o1 ZINC000831795692 601795199 /nfs/dbraw/zinc/79/51/99/601795199.db2.gz FXUFNDGXXYUKQP-UHFFFAOYSA-N -2 0 394.405 2.726 20 0 GFADRL COCCc1nc2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3F)ccc2o1 ZINC000831795742 601795201 /nfs/dbraw/zinc/79/52/01/601795201.db2.gz IJHNBKLFPKTTFO-UHFFFAOYSA-N -2 0 394.380 2.655 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2-n2cccn2)cc(F)c1F ZINC000751147898 601834063 /nfs/dbraw/zinc/83/40/63/601834063.db2.gz WVAOPNRHRUYFNO-UHFFFAOYSA-N -2 0 379.344 2.650 20 0 GFADRL COC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000751146381 601835584 /nfs/dbraw/zinc/83/55/84/601835584.db2.gz LOVGVSNRMCYILA-UHFFFAOYSA-N -2 0 385.344 2.559 20 0 GFADRL CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])c1C ZINC000829185108 601837704 /nfs/dbraw/zinc/83/77/04/601837704.db2.gz TYAGZDCGAJMEDV-UHFFFAOYSA-N -2 0 383.451 2.689 20 0 GFADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ccc2[nH]c(-c3ccco3)nc2c1 ZINC000833345338 601839152 /nfs/dbraw/zinc/83/91/52/601839152.db2.gz ABINWYKUPOJKRE-UHFFFAOYSA-N -2 0 390.402 2.778 20 0 GFADRL CC(C)(C)c1nnc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)s1 ZINC000826528117 601843528 /nfs/dbraw/zinc/84/35/28/601843528.db2.gz JMZUJJXPKFIATP-UHFFFAOYSA-N -2 0 375.859 2.988 20 0 GFADRL CCCOC(=O)c1ccc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])cc1 ZINC000829522591 601856227 /nfs/dbraw/zinc/85/62/27/601856227.db2.gz DBKQLDXSQLFEFL-UHFFFAOYSA-N -2 0 381.381 2.892 20 0 GFADRL COc1ccc(OC(F)F)c([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])c1 ZINC000832432134 601858262 /nfs/dbraw/zinc/85/82/62/601858262.db2.gz YKNKAIUJDLVKCN-UHFFFAOYSA-N -2 0 391.323 2.935 20 0 GFADRL CCCS(=O)(=O)[N-]c1ccccc1C(=O)NCC1(NC(=O)[O-])CCCCC1 ZINC000739376359 601859447 /nfs/dbraw/zinc/85/94/47/601859447.db2.gz NYRIZXAKRGBZHA-UHFFFAOYSA-N -2 0 397.497 2.539 20 0 GFADRL Cc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000761748709 601876572 /nfs/dbraw/zinc/87/65/72/601876572.db2.gz ONBIPODBXWTWLH-UHFFFAOYSA-N -2 0 382.351 2.571 20 0 GFADRL O=C([O-])N1CCc2nc([N-]S(=O)(=O)c3cccc4cnccc43)sc2C1 ZINC000740530897 601977299 /nfs/dbraw/zinc/97/72/99/601977299.db2.gz ZVFHAVMXUJFBAQ-UHFFFAOYSA-N -2 0 390.446 2.528 20 0 GFADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)C1(Cc2ccccc2)CCC1 ZINC000833347747 601981217 /nfs/dbraw/zinc/98/12/17/601981217.db2.gz DSERREAYUSXZFD-UHFFFAOYSA-N -2 0 379.459 2.664 20 0 GFADRL COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])cs2)c1 ZINC000831385549 602115841 /nfs/dbraw/zinc/11/58/41/602115841.db2.gz XTOKCZRWFBYMJV-UHFFFAOYSA-N -2 0 375.811 2.687 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(CCc3ccccc3)n[nH]2)cs1 ZINC000833304286 602308627 /nfs/dbraw/zinc/30/86/27/602308627.db2.gz XENOPYZHQSEMKG-UHFFFAOYSA-N -2 0 377.447 2.755 20 0 GFADRL Cc1cc(S(=O)(=O)Nc2cccc(C(=O)CCC(=O)[O-])c2)ccc1C(=O)[O-] ZINC000507905562 602308950 /nfs/dbraw/zinc/30/89/50/602308950.db2.gz OABBUQIFHZHEGN-UHFFFAOYSA-N -2 0 391.401 2.542 20 0 GFADRL Cn1cc([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])c(-c2ccccn2)n1 ZINC000833050834 602309754 /nfs/dbraw/zinc/30/97/54/602309754.db2.gz NHLRFPMIOHSCBD-UHFFFAOYSA-N -2 0 392.824 2.635 20 0 GFADRL CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[O-] ZINC000739722189 602367480 /nfs/dbraw/zinc/36/74/80/602367480.db2.gz HEIKUSWDLUWCLO-UHTWSYAYSA-N -2 0 390.465 2.666 20 0 GFADRL Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)CC[C@@H](NC(=O)[O-])c2ccccc2)c1 ZINC000740118195 602670251 /nfs/dbraw/zinc/67/02/51/602670251.db2.gz AKMGMSCLAUUJPF-MRXNPFEDSA-N -2 0 390.461 2.897 20 0 GFADRL C[C@@H]1CCc2ccccc2N1S(=O)(=O)[N-]C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000736804422 602671845 /nfs/dbraw/zinc/67/18/45/602671845.db2.gz CHLCLTIIYXQNPP-GFCCVEGCSA-N -2 0 389.433 2.592 20 0 GFADRL CC(C)C[C@@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000736416715 602686534 /nfs/dbraw/zinc/68/65/34/602686534.db2.gz QAJOQVFECQRDST-QGZVFWFLSA-N -2 0 390.461 2.841 20 0 GFADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000829969773 603838520 /nfs/dbraw/zinc/83/85/20/603838520.db2.gz BTHZAIPBOQKMQD-UHFFFAOYSA-N -2 0 376.390 2.535 20 0 GFADRL O=C([O-])Nc1cc2c(cc1[N-]S(=O)(=O)c1cccc3ncccc31)OCO2 ZINC000832828772 603889202 /nfs/dbraw/zinc/88/92/02/603889202.db2.gz LGGUSRQJVBBVCZ-UHFFFAOYSA-N -2 0 387.373 2.854 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2cccc3c2CCN3C(=O)[O-])sc1C(=O)[O-] ZINC000830138419 604014762 /nfs/dbraw/zinc/01/47/62/604014762.db2.gz UDZKDYORHFTUOP-UHFFFAOYSA-N -3 0 382.419 2.596 20 0 GFADRL C[C@@H](C(=O)[N-]S(=O)(=O)CC1CCCCC1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823701300 604244952 /nfs/dbraw/zinc/24/49/52/604244952.db2.gz CFHMSZLDBNSWAS-CZUORRHYSA-N -2 0 382.482 2.658 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2ncc(Br)cc2C)cc1C(=O)[O-] ZINC000318096925 604620871 /nfs/dbraw/zinc/62/08/71/604620871.db2.gz NIJIIXHUVKGOOV-UHFFFAOYSA-N -2 0 385.239 2.960 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2ncc(Br)cc2C)cc1C(=O)[O-] ZINC000832858945 604621667 /nfs/dbraw/zinc/62/16/67/604621667.db2.gz RYZAZPJNWLJTKQ-UHFFFAOYSA-N -2 0 375.200 2.553 20 0 GFADRL Cc1cc(F)c(S(=O)(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)cc1C(=O)[O-] ZINC000833744395 604748343 /nfs/dbraw/zinc/74/83/43/604748343.db2.gz FEFWWBBMMOPHSO-LBPRGKRZSA-N -2 0 393.392 2.600 20 0 GFADRL Cc1ccc(-c2n[nH]c([N-]S(=O)(=O)c3c(C)oc(C)c3C(=O)[O-])c2C)o1 ZINC000832906966 604809457 /nfs/dbraw/zinc/80/94/57/604809457.db2.gz HPFQGPBDQYFWKW-UHFFFAOYSA-N -2 0 379.394 2.995 20 0 GFADRL CC(C)(C)OC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)c(F)c1 ZINC000833444053 605028764 /nfs/dbraw/zinc/02/87/64/605028764.db2.gz KGWZLTTWTCRHEO-UHFFFAOYSA-N -2 0 385.369 2.873 20 0 GFADRL O=C([O-])C1CCC(C(=O)[N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000833772168 605118261 /nfs/dbraw/zinc/11/82/61/605118261.db2.gz IEAUBEHRRKULRR-UHFFFAOYSA-N -2 0 397.346 2.540 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)c(OC)c1 ZINC000833733295 605124761 /nfs/dbraw/zinc/12/47/61/605124761.db2.gz MOKJHPYAVRXTRV-UHFFFAOYSA-N -2 0 377.418 2.621 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2c(C)nn(CC(C)C)c2C)c(C(=O)[O-])c1 ZINC000504604240 605325740 /nfs/dbraw/zinc/32/57/40/605325740.db2.gz DSDADOLOGBBGLA-UHFFFAOYSA-N -2 0 381.454 2.664 20 0 GFADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CC[C@@H](NC(=O)[O-])C[C@H]3C)n2)cc1 ZINC000824464889 605362641 /nfs/dbraw/zinc/36/26/41/605362641.db2.gz WZOTYCFYJQGQNF-UKRRQHHQSA-N -2 0 386.452 2.962 20 0 GFADRL CC(C)(C)Sc1cc(C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)ccn1 ZINC000833447915 605493899 /nfs/dbraw/zinc/49/38/99/605493899.db2.gz GUIJHIXSEBFVIZ-UHFFFAOYSA-N -2 0 394.474 2.789 20 0 GFADRL O=C([O-])N1CCC(N(C(=O)c2cccc(Br)c2[O-])C2CC2)CC1 ZINC000834084502 605645329 /nfs/dbraw/zinc/64/53/29/605645329.db2.gz UMTNVZSCRNXTKL-UHFFFAOYSA-N -2 0 383.242 2.902 20 0 GFADRL O=C([O-])N1CCc2ncc([N-]S(=O)(=O)c3cnc4ccsc4c3)cc2C1 ZINC000834122907 605878470 /nfs/dbraw/zinc/87/84/70/605878470.db2.gz VSLAGLLOCZMELI-UHFFFAOYSA-N -2 0 390.446 2.528 20 0 GFADRL COC(=O)c1ccc(S(=O)(=O)Nc2cc(NC(=O)[O-])ccc2C)c(C)c1 ZINC000833879939 605991584 /nfs/dbraw/zinc/99/15/84/605991584.db2.gz AVKNMXIIVOGMDE-UHFFFAOYSA-N -2 0 378.406 2.981 20 0 GFADRL O=C([O-])Nc1cnc(C(=O)Nc2nnc(-c3ccccc3Cl)s2)cn1 ZINC000834278775 606020086 /nfs/dbraw/zinc/02/00/86/606020086.db2.gz NWFURJPAPWSZQU-UHFFFAOYSA-N -2 0 376.785 2.991 20 0 GFADRL O=C([O-])c1cccc(NC(=O)C2(Nc3ccccc3)CCN(C(=O)[O-])CC2)c1 ZINC000834283761 606054337 /nfs/dbraw/zinc/05/43/37/606054337.db2.gz WQOIYUNAWXXGGK-UHFFFAOYSA-N -2 0 383.404 2.948 20 0 GFADRL Cc1onc(OC(F)F)c1[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000821089660 660315249 /nfs/dbraw/zinc/31/52/49/660315249.db2.gz LYLUXGDBOHCTAB-UHFFFAOYSA-N -2 0 380.300 2.531 20 0 GFADRL NC(=O)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)ccc1Cl ZINC000028258482 654571730 /nfs/dbraw/zinc/57/17/30/654571730.db2.gz RJFPLEQCKPHNHL-UHFFFAOYSA-N -2 0 389.216 2.591 20 0 GFADRL NC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000058488369 654818405 /nfs/dbraw/zinc/81/84/05/654818405.db2.gz AMZIBKNZEOPRNO-UHFFFAOYSA-N -2 0 389.216 2.591 20 0 GFADRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC000068076612 654953457 /nfs/dbraw/zinc/95/34/57/654953457.db2.gz KNNUNKYMUIWLNX-UHFFFAOYSA-N -2 0 383.809 2.878 20 0 GFADRL CC(=O)NCc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C(=O)[O-])s1 ZINC000274878368 655205764 /nfs/dbraw/zinc/20/57/64/655205764.db2.gz CCDOXXQSKBNSLT-UHFFFAOYSA-N -2 0 382.463 2.500 20 0 GFADRL Cc1nc(Br)ccc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000179756675 655316953 /nfs/dbraw/zinc/31/69/53/655316953.db2.gz RJRQYVMFCABFML-UHFFFAOYSA-N -2 0 385.239 2.580 20 0 GFADRL Cc1nc(Br)ccc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000322904323 655383429 /nfs/dbraw/zinc/38/34/29/655383429.db2.gz HGNDFNVWGRXIAS-UHFFFAOYSA-N -2 0 399.266 2.971 20 0 GFADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccc3c(c2)OC(F)(F)O3)c1 ZINC000326765465 655385191 /nfs/dbraw/zinc/38/51/91/655385191.db2.gz PKZGXBSYAOEILQ-UHFFFAOYSA-N -2 0 375.280 2.646 20 0 GFADRL Cc1noc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1Br ZINC000748691577 655793905 /nfs/dbraw/zinc/79/39/05/655793905.db2.gz LQIHVJAWVWIGGL-UHFFFAOYSA-N -2 0 381.229 2.614 20 0 GFADRL COC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1Cl ZINC000753768048 655858017 /nfs/dbraw/zinc/85/80/17/655858017.db2.gz CCFHSHSPKLCEFX-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL O=C([O-])c1cc(F)c(F)c(S(=O)(=O)[N-]c2cccc(OCCF)c2)c1 ZINC000756936121 655907095 /nfs/dbraw/zinc/90/70/95/655907095.db2.gz HIBCZKQKIDIPSY-UHFFFAOYSA-N -2 0 375.324 2.812 20 0 GFADRL Cc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(O)c2)cc(C(=O)[O-])c1Cl ZINC000759103111 655947530 /nfs/dbraw/zinc/94/75/30/655947530.db2.gz RZGPTRXJYBMGTL-UHFFFAOYSA-N -2 0 385.781 2.551 20 0 GFADRL CC(=O)OCCc1cccc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c1 ZINC000763383285 656081752 /nfs/dbraw/zinc/08/17/52/656081752.db2.gz RUNPAXXGTNGVBN-UHFFFAOYSA-N -2 0 383.447 2.661 20 0 GFADRL O=C(Cn1c(=O)c2ccccc2[n-]c1=S)Nc1cc(F)cc(Cl)c1[O-] ZINC000771745123 656360892 /nfs/dbraw/zinc/36/08/92/656360892.db2.gz LSAJEAJERZUURY-UHFFFAOYSA-N -2 0 379.800 2.822 20 0 GFADRL CC(C)(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000776571865 656760681 /nfs/dbraw/zinc/76/06/81/656760681.db2.gz XTDUYYSOFLDFLW-YFKPBYRVSA-N -2 0 375.315 2.550 20 0 GFADRL Cc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2c(Cl)nc3sccn32)cc1F ZINC000776585386 656763157 /nfs/dbraw/zinc/76/31/57/656763157.db2.gz RDKUKJTXUUAIPO-UHFFFAOYSA-N -2 0 389.817 2.996 20 0 GFADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000777935118 656844421 /nfs/dbraw/zinc/84/44/21/656844421.db2.gz FCIXDEUTBJPVRW-UHFFFAOYSA-N -2 0 377.205 2.896 20 0 GFADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(OC3COC3)cc2)c1 ZINC000780414445 657004845 /nfs/dbraw/zinc/00/48/45/657004845.db2.gz BJMMWWMJBMTAER-UHFFFAOYSA-N -2 0 383.809 2.617 20 0 GFADRL Cn1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1C(F)(F)F ZINC000780424661 657005594 /nfs/dbraw/zinc/00/55/94/657005594.db2.gz IBHXKMLCEUUAAZ-UHFFFAOYSA-N -2 0 383.735 2.591 20 0 GFADRL CCn1ncc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1C(F)(F)F ZINC000799126968 659166578 /nfs/dbraw/zinc/16/65/78/659166578.db2.gz DARDNLVEHYUFKP-UHFFFAOYSA-N -2 0 381.307 2.560 20 0 GFADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(N3CCC3=O)cc2)c1 ZINC000799127442 659166605 /nfs/dbraw/zinc/16/66/05/659166605.db2.gz SCAMRBMCNMQQOA-UHFFFAOYSA-N -2 0 380.809 2.576 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2cccc3[nH]c(=O)[nH]c32)cc(C(=O)[O-])c1Cl ZINC000811716172 660014759 /nfs/dbraw/zinc/01/47/59/660014759.db2.gz HHWUFLLUMFYICR-UHFFFAOYSA-N -2 0 381.797 2.729 20 0 GFADRL C[C@H](CC[N-]S(=O)(=O)c1oc2ccccc2c1Br)C(=O)[O-] ZINC000864433036 662370839 /nfs/dbraw/zinc/37/08/39/662370839.db2.gz FJCCRIHDDIXDAO-MRVPVSSYSA-N -2 0 376.228 2.584 20 0 GFADRL Cc1cc(S(=O)(=O)N[C@@H](CC(=O)[O-])c2cccc(C)c2)sc1C(=O)[O-] ZINC000917736268 664489624 /nfs/dbraw/zinc/48/96/24/664489624.db2.gz FCFOASNWGYYAIM-LBPRGKRZSA-N -2 0 383.447 2.557 20 0 GFADRL O=C([O-])[C@@H]1CC[C@@H]1NC(=O)c1cc(Br)c([O-])c(Br)c1 ZINC000923140090 664622888 /nfs/dbraw/zinc/62/28/88/664622888.db2.gz RWUAHTLABJPYKN-MUWHJKNJSA-N -2 0 393.031 2.510 20 0 GFADRL O=C([O-])Cc1ccc([N-]S(=O)(=O)c2sccc2Br)cc1 ZINC000048440792 551156347 /nfs/dbraw/zinc/15/63/47/551156347.db2.gz MFMFFXVIDZOZMS-UHFFFAOYSA-N -2 0 376.253 2.939 20 0 GFADRL COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(CC(=O)[O-])ccc1OC ZINC000054294746 551168693 /nfs/dbraw/zinc/16/86/93/551168693.db2.gz NIBUQTNOCHVTNA-UHFFFAOYSA-N -2 0 385.825 2.785 20 0 GFADRL Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cc2[N-]S(C)(=O)=O)c1 ZINC000179766423 552202453 /nfs/dbraw/zinc/20/24/53/552202453.db2.gz OWTKIFGRCFFARJ-UHFFFAOYSA-N -2 0 392.861 2.960 20 0 GFADRL C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000295259904 563238905 /nfs/dbraw/zinc/23/89/05/563238905.db2.gz GTBTXEAGMNAMGR-RDDDGLTNSA-N -2 0 382.741 2.856 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(Cl)c2)nn1C(C)C ZINC000421172530 563298790 /nfs/dbraw/zinc/29/87/90/563298790.db2.gz JQBGJDFVGDSAIX-UHFFFAOYSA-N -2 0 387.845 2.690 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)Nc2ccc3c(c2)C(=O)CCO3)ccc1Cl ZINC000373248192 563332815 /nfs/dbraw/zinc/33/28/15/563332815.db2.gz WXVAGACKHGATFH-UHFFFAOYSA-N -2 0 381.793 2.804 20 0 GFADRL COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000327725575 563459277 /nfs/dbraw/zinc/45/92/77/563459277.db2.gz GTVXRXXJFSHWHG-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1F ZINC000427350647 563466364 /nfs/dbraw/zinc/46/63/64/563466364.db2.gz UQQFZHDQBUJFMX-UHFFFAOYSA-N -2 0 387.772 2.985 20 0 GFADRL CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])c(F)c1 ZINC000393039210 563527636 /nfs/dbraw/zinc/52/76/36/563527636.db2.gz CGAGESRKWGSSTH-UHFFFAOYSA-N -2 0 386.788 2.937 20 0 GFADRL Cc1ccc(-c2ccnn2C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000410421244 563590681 /nfs/dbraw/zinc/59/06/81/563590681.db2.gz UQOUIEZXLAHFHB-UHFFFAOYSA-N -2 0 377.447 2.956 20 0 GFADRL COc1cc([N-]S(=O)(=O)c2cnccc2C(F)(F)F)ccc1C(=O)[O-] ZINC000432777616 563592912 /nfs/dbraw/zinc/59/29/12/563592912.db2.gz BOSBRQPJZWDVMW-UHFFFAOYSA-N -2 0 376.312 2.608 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)cc1Br ZINC000436995271 563687383 /nfs/dbraw/zinc/68/73/83/563687383.db2.gz QJQJQCFCSVHHGF-UHFFFAOYSA-N -2 0 386.223 2.962 20 0 GFADRL COC(=O)c1scc(C)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(Cl)c1 ZINC000442813770 563780343 /nfs/dbraw/zinc/78/03/43/563780343.db2.gz HHUYYKZDXBMZIG-UHFFFAOYSA-N -2 0 389.838 2.996 20 0 GFADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])cc1F ZINC000446149853 563859630 /nfs/dbraw/zinc/85/96/30/563859630.db2.gz PZRSBZKYXZXCAE-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc3c2OCC[C@@H]3O)cc1Cl ZINC000368503864 563872445 /nfs/dbraw/zinc/87/24/45/563872445.db2.gz RSITUYVCHBSGCF-AWEZNQCLSA-N -2 0 383.809 2.655 20 0 GFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)cc1OC ZINC000447793594 563886351 /nfs/dbraw/zinc/88/63/51/563886351.db2.gz DHEROICQICBIHN-UHFFFAOYSA-N -2 0 389.788 2.995 20 0 GFADRL C[C@@H](CC1CCCCC1)NS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F ZINC000447854374 563888386 /nfs/dbraw/zinc/88/83/86/563888386.db2.gz LQWWBLFMZKYYCQ-LBPRGKRZSA-N -2 0 392.518 2.834 20 0 GFADRL Cn1ncc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c1C(=O)[O-] ZINC000538742422 564199301 /nfs/dbraw/zinc/19/93/01/564199301.db2.gz OEADHZMZTOTNNY-UHFFFAOYSA-N -2 0 383.735 2.591 20 0 GFADRL O=C([O-])c1c[nH]c2cc([N-]S(=O)(=O)c3cncc(Br)c3)ccc12 ZINC000506603426 564206630 /nfs/dbraw/zinc/20/66/30/564206630.db2.gz WSNRYXNHYXTHGG-UHFFFAOYSA-N -2 0 396.222 2.824 20 0 GFADRL CSc1cccc(S(=O)(=O)[N-]c2ccc(F)cc2[N-]S(C)(=O)=O)c1 ZINC000509386455 564295780 /nfs/dbraw/zinc/29/57/80/564295780.db2.gz LBRNLVFMJDZRDT-UHFFFAOYSA-N -2 0 390.483 2.720 20 0 GFADRL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(Cl)c1C(=O)[O-] ZINC000509659644 564308011 /nfs/dbraw/zinc/30/80/11/564308011.db2.gz TYKWVCSJMAAOQM-UHFFFAOYSA-N -2 0 385.781 2.551 20 0 GFADRL COC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C ZINC000476255489 564332162 /nfs/dbraw/zinc/33/21/62/564332162.db2.gz MDIJXVFWKHYKRM-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc([C@H](C)CC(=O)[O-])cc2)s1 ZINC000543163002 564340767 /nfs/dbraw/zinc/34/07/67/564340767.db2.gz UKCANEZJZWYPDN-SNVBAGLBSA-N -2 0 383.447 2.914 20 0 GFADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2csc(-c3ccccn3)n2)cc1 ZINC000543661968 564358197 /nfs/dbraw/zinc/35/81/97/564358197.db2.gz HRCVJHZCQZDVHK-UHFFFAOYSA-N -2 0 375.431 2.633 20 0 GFADRL C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2cc(Br)cc(Cl)c2[O-])C1 ZINC000567269619 564364133 /nfs/dbraw/zinc/36/41/33/564364133.db2.gz PFVLSBQMWBFLOU-HTQZYQBOSA-N -2 0 376.634 2.991 20 0 GFADRL COCCOc1ccccc1S(=O)(=O)[N-]c1ccc(Cl)c(C(=O)[O-])c1 ZINC000545125050 564408928 /nfs/dbraw/zinc/40/89/28/564408928.db2.gz APJXWHODLKSXKO-UHFFFAOYSA-N -2 0 385.825 2.864 20 0 GFADRL COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1C ZINC000512734510 564409896 /nfs/dbraw/zinc/40/98/96/564409896.db2.gz RNRNNHIKZPTVCL-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL C[C@H](c1ccc(C(=O)[O-])o1)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000568522066 564423120 /nfs/dbraw/zinc/42/31/20/564423120.db2.gz PTZNTOQRGBHYSB-LLVKDONJSA-N -2 0 384.479 2.543 20 0 GFADRL Cc1cccc([N-]S(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)c1C(N)=O ZINC000479295200 564435379 /nfs/dbraw/zinc/43/53/79/564435379.db2.gz KHDDUZQHRYOUDV-UHFFFAOYSA-N -2 0 382.825 2.555 20 0 GFADRL Cc1cc(F)c(S(=O)(=O)[N-]CC[C@@H](CC(=O)[O-])C(F)(F)F)c(F)c1 ZINC000515166384 564470865 /nfs/dbraw/zinc/47/08/65/564470865.db2.gz NFGFELILDFTKKF-QMMMGPOBSA-N -2 0 375.315 2.595 20 0 GFADRL COc1cc(Cl)c(S(=O)(=O)N[C@@H]2CCC[C@]2(C)C(=O)[O-])cc1Cl ZINC000547889673 564516598 /nfs/dbraw/zinc/51/65/98/564516598.db2.gz QDMGXQVYAZBVGC-OCCSQVGLSA-N -2 0 382.265 2.924 20 0 GFADRL O=C([O-])c1cc(F)c(F)cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000481616518 564518132 /nfs/dbraw/zinc/51/81/32/564518132.db2.gz ZWWXEPQQSCBXAF-UHFFFAOYSA-N -2 0 382.266 2.878 20 0 GFADRL O=C([O-])C[C@@H](CC[N-]S(=O)(=O)c1cc2cc(F)ccc2o1)C(F)(F)F ZINC000517220005 564528420 /nfs/dbraw/zinc/52/84/20/564528420.db2.gz ILSFOGPUTYMZDN-SECBINFHSA-N -2 0 383.319 2.894 20 0 GFADRL COC(=O)c1cc(C)ccc1S(=O)(=O)[N-]c1cccc(Cl)c1C(=O)[O-] ZINC000548193607 564535094 /nfs/dbraw/zinc/53/50/94/564535094.db2.gz XTCLFIALXPWKAC-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc2c(c1)ncn2C ZINC000548198948 564536015 /nfs/dbraw/zinc/53/60/15/564536015.db2.gz FJWFOFOXKXBLFN-UHFFFAOYSA-N -2 0 377.447 2.794 20 0 GFADRL C[C@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000548221089 564538118 /nfs/dbraw/zinc/53/81/18/564538118.db2.gz OODATOVQJAGBTR-YPMHNXCESA-N -2 0 398.225 2.649 20 0 GFADRL C[C@@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000548221088 564538417 /nfs/dbraw/zinc/53/84/17/564538417.db2.gz OODATOVQJAGBTR-WCQYABFASA-N -2 0 398.225 2.649 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2SC)oc1C ZINC000484577427 564590975 /nfs/dbraw/zinc/59/09/75/564590975.db2.gz XSJMYAGXFKNMIW-UHFFFAOYSA-N -2 0 385.419 2.596 20 0 GFADRL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccn(CC(F)F)n1 ZINC000484628816 564592979 /nfs/dbraw/zinc/59/29/79/564592979.db2.gz ZWDRKTORYSCXKC-UHFFFAOYSA-N -2 0 379.772 2.609 20 0 GFADRL CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]c1ccc(Cl)c(C(=O)[O-])c1 ZINC000484686954 564594644 /nfs/dbraw/zinc/59/46/44/564594644.db2.gz CNWZRBKDFWGNTH-UHFFFAOYSA-N -2 0 387.797 2.781 20 0 GFADRL COc1cc(S(=O)(=O)[N-]c2cnn(CC(C)C)c2)c(Cl)cc1C(=O)[O-] ZINC000485266365 564611462 /nfs/dbraw/zinc/61/14/62/564611462.db2.gz CZMCOLPWKJBZCB-UHFFFAOYSA-N -2 0 387.845 2.700 20 0 GFADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)s1 ZINC000520767857 564613101 /nfs/dbraw/zinc/61/31/01/564613101.db2.gz BKCSELXDLDXIJH-UHFFFAOYSA-N -2 0 375.811 2.687 20 0 GFADRL Cc1nn(C)cc1S(=O)(=O)[N-]c1cc(-c2ccccc2)sc1C(=O)[O-] ZINC000574668887 564683516 /nfs/dbraw/zinc/68/35/16/564683516.db2.gz IZJJZKTWMIYVGP-UHFFFAOYSA-N -2 0 377.447 2.956 20 0 GFADRL Cc1ncc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2OC(F)(F)F)s1 ZINC000488287597 564709381 /nfs/dbraw/zinc/70/93/81/564709381.db2.gz CRXLGWBSHUGBSK-UHFFFAOYSA-N -2 0 382.341 2.849 20 0 GFADRL FC(F)(F)c1n[n-]c(=NCCCCN=c2[n-]nc(C(F)(F)F)s2)s1 ZINC000582066781 564829690 /nfs/dbraw/zinc/82/96/90/564829690.db2.gz QPYBMSZVHBXYAS-UHFFFAOYSA-N -2 0 392.354 2.575 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2cc(C(F)(F)F)nn2C)c(C(=O)[O-])cc1C ZINC000530140079 564866613 /nfs/dbraw/zinc/86/66/13/564866613.db2.gz WOVHBCHMBAUWLW-UHFFFAOYSA-N -2 0 377.344 2.555 20 0 GFADRL Cn1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c(C(F)(F)F)n1 ZINC000463433827 564881721 /nfs/dbraw/zinc/88/17/21/564881721.db2.gz YOYXPNGZXOGRDS-UHFFFAOYSA-N -2 0 383.735 2.591 20 0 GFADRL C[C@H]([C@@H]([N-]S(=O)(=O)c1cc(F)c(Br)cc1F)C(=O)[O-])C1CC1 ZINC000558685098 564911608 /nfs/dbraw/zinc/91/16/08/564911608.db2.gz NDULMOPDRZYEGA-PWCHPLFNSA-N -2 0 398.225 2.505 20 0 GFADRL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cc(F)c(Br)cc1F)C(=O)[O-] ZINC000534798874 564996369 /nfs/dbraw/zinc/99/63/69/564996369.db2.gz WOCFQTUDDYYARP-KGFZYKRKSA-N -2 0 386.214 2.505 20 0 GFADRL Cc1nc(C(=O)Nc2nnc([N-]S(=O)(=O)c3ccccc3)s2)c(C)s1 ZINC000503928802 565031113 /nfs/dbraw/zinc/03/11/13/565031113.db2.gz NFNMWIIZUSHBMY-UHFFFAOYSA-N -2 0 395.491 2.665 20 0 GFADRL C[C@H](Sc1ccc([N-]S(=O)(=O)c2c[nH]c3ncccc23)cc1)C(=O)[O-] ZINC000504665371 565042892 /nfs/dbraw/zinc/04/28/92/565042892.db2.gz DSQDYRZTLWVQIL-JTQLQIEISA-N -2 0 377.447 2.929 20 0 GFADRL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2[nH]c(=O)[nH]c21 ZINC000685902893 565130567 /nfs/dbraw/zinc/13/05/67/565130567.db2.gz PGWMHBIMBVQHNY-UHFFFAOYSA-N -2 0 381.797 2.729 20 0 GFADRL CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)s1 ZINC000617466899 565241145 /nfs/dbraw/zinc/24/11/45/565241145.db2.gz RZHGWODXDORXLY-MRVPVSSYSA-N -2 0 386.426 2.583 20 0 GFADRL CC(C)(C)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(CCF)c1 ZINC000629320217 565843135 /nfs/dbraw/zinc/84/31/35/565843135.db2.gz ZHVACNQTXDSWQQ-UHFFFAOYSA-N -2 0 375.447 2.711 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2ccccc2[C@H]2CCC(=O)N2)sc1C(=O)[O-] ZINC000629330195 565843802 /nfs/dbraw/zinc/84/38/02/565843802.db2.gz QYRCLLVNZGLYIS-LLVKDONJSA-N -2 0 380.447 2.507 20 0 GFADRL COCCOc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cc(C)c(C)s1 ZINC000629337900 565846164 /nfs/dbraw/zinc/84/61/64/565846164.db2.gz DJMNVEZUIVJVTB-UHFFFAOYSA-N -2 0 385.463 2.889 20 0 GFADRL COC(=O)c1csc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c1C ZINC000611443684 566130277 /nfs/dbraw/zinc/13/02/77/566130277.db2.gz NSOOCIQZXRWNSG-UHFFFAOYSA-N -2 0 383.447 2.661 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2OC[C@H]2CCCCO2)o1 ZINC000740188031 599739544 /nfs/dbraw/zinc/73/95/44/599739544.db2.gz YYZXRICHVKRMIK-GFCCVEGCSA-N -2 0 381.406 2.727 20 0 GFADRL COc1ccccc1C1(CNS(=O)(=O)c2ccc(C(=O)[O-])o2)CCCC1 ZINC000564923593 599772828 /nfs/dbraw/zinc/77/28/28/599772828.db2.gz RPRDEQYMIYBMRA-UHFFFAOYSA-N -2 0 379.434 2.777 20 0 GFADRL C[C@H](CNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC000736605392 599777025 /nfs/dbraw/zinc/77/70/25/599777025.db2.gz DZTPXWIRTBZYRL-LLVKDONJSA-N -2 0 396.852 2.591 20 0 GFADRL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2cccnc21 ZINC000737719328 599814928 /nfs/dbraw/zinc/81/49/28/599814928.db2.gz XUTIEWFMALHTPA-UHFFFAOYSA-N -2 0 392.414 2.582 20 0 GFADRL O=C([O-])CSCc1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000739874034 599927011 /nfs/dbraw/zinc/92/70/11/599927011.db2.gz JRFUTGWJBXKCPH-UHFFFAOYSA-N -2 0 381.431 2.503 20 0 GFADRL CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000485792485 599952747 /nfs/dbraw/zinc/95/27/47/599952747.db2.gz LUACSIPPCYCGJL-UHFFFAOYSA-N -2 0 394.474 2.628 20 0 GFADRL C[C@@H](CC(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)c1ccccc1F ZINC000736549421 599954503 /nfs/dbraw/zinc/95/45/03/599954503.db2.gz VDIJXIRGGCIRLC-LBPRGKRZSA-N -2 0 379.409 2.664 20 0 GFADRL CC[C@H](C)N1C(=O)N[C@H](c2cccc(O[C@@H](C)C(=O)[O-])c2)C(C(=O)[O-])=C1C ZINC000736885039 599984792 /nfs/dbraw/zinc/98/47/92/599984792.db2.gz WBLMAKHOZMTCJP-KNHMANMVSA-N -2 0 376.409 2.762 20 0 GFADRL O=C([O-])c1cc(C(F)(F)F)cc(S(=O)(=O)[N-]C(=O)c2ccc(Cl)o2)c1 ZINC000740074574 600045410 /nfs/dbraw/zinc/04/54/10/600045410.db2.gz SGPBEEYERGSETM-UHFFFAOYSA-N -2 0 397.714 2.769 20 0 GFADRL Cc1nc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)sc1C(=O)[O-] ZINC000738364911 600054596 /nfs/dbraw/zinc/05/45/96/600054596.db2.gz YRFGOFNTABDGSE-UHFFFAOYSA-N -2 0 382.341 2.849 20 0 GFADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccnn2Cc2ccccc2)c1 ZINC000740145067 600054821 /nfs/dbraw/zinc/05/48/21/600054821.db2.gz WJGJZLJGWALBIU-UHFFFAOYSA-N -2 0 375.381 2.570 20 0 GFADRL Cc1cn(-c2ccccc2)nc1[N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000738799485 600058500 /nfs/dbraw/zinc/05/85/00/600058500.db2.gz YDJNCLZMHMKCCJ-UHFFFAOYSA-N -2 0 375.381 2.819 20 0 GFADRL COc1ccc(OC(F)F)c([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])c1 ZINC000738044701 600096294 /nfs/dbraw/zinc/09/62/94/600096294.db2.gz RJZAJSBZTYVKOZ-UHFFFAOYSA-N -2 0 391.323 2.935 20 0 GFADRL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]c1ccc(F)c(NC(=O)[O-])c1 ZINC000737692893 600099421 /nfs/dbraw/zinc/09/94/21/600099421.db2.gz GIBXFGKEXGGTEA-UHFFFAOYSA-N -2 0 386.332 2.642 20 0 GFADRL Cc1ccc(Cn2nccc2[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)o1 ZINC000738604459 600102549 /nfs/dbraw/zinc/10/25/49/600102549.db2.gz SYSYPEMJYKSWIR-UHFFFAOYSA-N -2 0 375.406 2.640 20 0 GFADRL Cc1cccc(C[C@@H](CNC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)C(=O)[O-])c1 ZINC000738712140 600104127 /nfs/dbraw/zinc/10/41/27/600104127.db2.gz WHHIYVFHWUTXTD-AWEZNQCLSA-N -2 0 397.456 2.606 20 0 GFADRL Cn1c(=O)c2ccc(C(=O)Nc3ccc(F)c(NC(=O)[O-])c3)cc2[n-]c1=S ZINC000739013215 600123044 /nfs/dbraw/zinc/12/30/44/600123044.db2.gz CNGSKMJDLNCUCK-UHFFFAOYSA-N -2 0 388.380 2.704 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnc(-c3ccccc3)nc2)c(F)cc1F ZINC000740089225 600231694 /nfs/dbraw/zinc/23/16/94/600231694.db2.gz BMDGKWOFQDSKPD-UHFFFAOYSA-N -2 0 391.355 2.921 20 0 GFADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc3c(ccn3CC(C)C)c2)c1C(=O)[O-] ZINC000738827031 600233883 /nfs/dbraw/zinc/23/38/83/600233883.db2.gz FVFHITWPJAHGCX-UHFFFAOYSA-N -2 0 376.438 2.828 20 0 GFADRL CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000438774111 600236999 /nfs/dbraw/zinc/23/69/99/600236999.db2.gz ITGMYTDWNABTEW-HNNXBMFYSA-N -2 0 389.429 2.885 20 0 GFADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccnn2-c2ccccc2C)c1C(=O)[O-] ZINC000738754534 600244320 /nfs/dbraw/zinc/24/43/20/600244320.db2.gz LCTHERVCRJQMNP-UHFFFAOYSA-N -2 0 375.406 2.890 20 0 GFADRL Cc1nc(C)c([C@H]2NC(=O)N(CCCCCC(=O)[O-])C(C)=C2C(=O)[O-])s1 ZINC000736745167 600253735 /nfs/dbraw/zinc/25/37/35/600253735.db2.gz BEULCCUDZWIANZ-AWEZNQCLSA-N -2 0 381.454 2.830 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N(C)C[C@H](C)C(=O)[O-])cc1 ZINC000263261743 600418873 /nfs/dbraw/zinc/41/88/73/600418873.db2.gz UVDCOOFXHRXXLL-AWEZNQCLSA-N -2 0 390.461 2.589 20 0 GFADRL Cc1cc(OC(F)F)c(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)s1 ZINC000738464237 600459321 /nfs/dbraw/zinc/45/93/21/600459321.db2.gz DIAPKUDALAHSIY-UHFFFAOYSA-N -2 0 397.402 2.536 20 0 GFADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)CC(c1ccccc1)c1ccccc1 ZINC000739695590 600461103 /nfs/dbraw/zinc/46/11/03/600461103.db2.gz JTXUWWWICBKHKK-UHFFFAOYSA-N -2 0 375.446 2.519 20 0 GFADRL COC(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2OC)ccc1C(=O)[O-] ZINC000831327707 600687809 /nfs/dbraw/zinc/68/78/09/600687809.db2.gz LIECSDYVRGMFAT-UHFFFAOYSA-N -2 0 399.808 2.634 20 0 GFADRL COCCOc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000066586050 600813963 /nfs/dbraw/zinc/81/39/63/600813963.db2.gz OEVOGEDEMOALTI-UHFFFAOYSA-N -2 0 383.397 2.658 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2cccnc2N2CCCCC2)cc1C(=O)[O-] ZINC000832956537 600828325 /nfs/dbraw/zinc/82/83/25/600828325.db2.gz MEDZEJOQGVVBOJ-UHFFFAOYSA-N -2 0 375.450 2.879 20 0 GFADRL Cn1cc(S(=O)(=O)[N-]c2ncc(Cc3cccc(F)c3)s2)cc1C(=O)[O-] ZINC000833055301 600828429 /nfs/dbraw/zinc/82/84/29/600828429.db2.gz GCPAEKCMLURORN-UHFFFAOYSA-N -2 0 395.437 2.711 20 0 GFADRL Cn1cc(S(=O)(=O)[N-]c2ncc(Cc3ccc(F)cc3)s2)cc1C(=O)[O-] ZINC000833055165 600828562 /nfs/dbraw/zinc/82/85/62/600828562.db2.gz ADXYCCPBIQWBKU-UHFFFAOYSA-N -2 0 395.437 2.711 20 0 GFADRL NC(=O)c1oc2ccccc2c1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000739185117 600888126 /nfs/dbraw/zinc/88/81/26/600888126.db2.gz ZAUGXTILKGJHDK-UHFFFAOYSA-N -2 0 394.792 2.684 20 0 GFADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000736424208 600896947 /nfs/dbraw/zinc/89/69/47/600896947.db2.gz SXGZJSOWMXPPAR-CQSZACIVSA-N -2 0 389.429 2.714 20 0 GFADRL Cc1ccc(-c2ocnc2C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC000832909404 600941142 /nfs/dbraw/zinc/94/11/42/600941142.db2.gz CFJUMVXASHIZAR-UHFFFAOYSA-N -2 0 392.414 2.528 20 0 GFADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1ccccc1Sc1ccccc1 ZINC000833228598 600947589 /nfs/dbraw/zinc/94/75/89/600947589.db2.gz RYKXGKQVOZMUHB-UHFFFAOYSA-N -2 0 379.459 2.762 20 0 GFADRL Cc1ccc(-n2[n-]c(C(=O)N3C[C@@H](CC(=O)[O-])c4ccccc43)cc2=O)cc1 ZINC000832910226 600968003 /nfs/dbraw/zinc/96/80/03/600968003.db2.gz UYVLTNMYRHQDRM-CQSZACIVSA-N -2 0 377.400 2.693 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)n(-c2ccc(Cl)cc2)n1 ZINC000832898143 600974712 /nfs/dbraw/zinc/97/47/12/600974712.db2.gz BZCJNHSGTHSTPG-UHFFFAOYSA-N -2 0 380.813 2.661 20 0 GFADRL COc1cc(/C=C\C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(C)c(O)c2)c1OC ZINC000737871314 601117817 /nfs/dbraw/zinc/11/78/17/601117817.db2.gz JXQYKEKTYNJBNG-ALCCZGGFSA-N -2 0 393.417 2.616 20 0 GFADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)c2ccc(Oc3ccccc3)o2)c1 ZINC000833333127 601207169 /nfs/dbraw/zinc/20/71/69/601207169.db2.gz HZMMRHNUFFYXSV-UHFFFAOYSA-N -2 0 387.369 2.889 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2cc(C)c(Br)cn2)cc1C(=O)[O-] ZINC000832898182 601230410 /nfs/dbraw/zinc/23/04/10/601230410.db2.gz FIXVPJNVFTZWSD-UHFFFAOYSA-N -2 0 375.200 2.553 20 0 GFADRL Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(C)o3)cc2)n1 ZINC000832880994 601231934 /nfs/dbraw/zinc/23/19/34/601231934.db2.gz VUVBNPZIHPYEBV-UHFFFAOYSA-N -2 0 375.406 2.890 20 0 GFADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000830232234 601250478 /nfs/dbraw/zinc/25/04/78/601250478.db2.gz KGUBABSTBMYLSW-UHFFFAOYSA-N -3 0 385.344 2.724 20 0 GFADRL Cc1cccc(O)c1[N-]S(=O)(=O)c1ccc(Br)c(C(=O)[O-])c1 ZINC000776747631 601251268 /nfs/dbraw/zinc/25/12/68/601251268.db2.gz HTLXFUVJMLYJFZ-UHFFFAOYSA-N -2 0 386.223 2.962 20 0 GFADRL Cc1cc(F)cc(C(=O)[O-])c1NS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000832887541 601327579 /nfs/dbraw/zinc/32/75/79/601327579.db2.gz KCKVFDRJDREKOU-QPJJXVBHSA-N -2 0 379.365 2.731 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N2CCCCC2)nc1 ZINC000832204227 601360518 /nfs/dbraw/zinc/36/05/18/601360518.db2.gz NZDPDRDGDBLXDM-UHFFFAOYSA-N -2 0 391.449 2.580 20 0 GFADRL Cc1sc2ccc(Cl)cc2c1S(=O)(=O)[N-]c1cnn(CC(=O)[O-])c1 ZINC000833036550 601557961 /nfs/dbraw/zinc/55/79/61/601557961.db2.gz ICAZCYCNSYAOGY-UHFFFAOYSA-N -2 0 385.854 2.945 20 0 GFADRL Cn1cc(S(=O)(=O)[N-]c2cc(-c3cccc(Cl)c3)[nH]n2)cc1C(=O)[O-] ZINC000754840117 601605264 /nfs/dbraw/zinc/60/52/64/601605264.db2.gz KRSOKKLGFJRTHO-UHFFFAOYSA-N -2 0 380.813 2.568 20 0 GFADRL CC[C@@H](NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1C)C(=O)[O-] ZINC000518466651 601751122 /nfs/dbraw/zinc/75/11/22/601751122.db2.gz HQBAQRILHBJUPU-CQSZACIVSA-N -2 0 394.424 2.528 20 0 GFADRL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Br)c(C)n1 ZINC000317326606 601770583 /nfs/dbraw/zinc/77/05/83/601770583.db2.gz CNXHFFASGXAELA-UHFFFAOYSA-N -2 0 385.239 2.960 20 0 GFADRL CC(C)n1cnnc1-c1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000827193099 601794698 /nfs/dbraw/zinc/79/46/98/601794698.db2.gz RZMLUOFTWPZNGN-UHFFFAOYSA-N -2 0 376.394 2.618 20 0 GFADRL O=C([O-])N1CCc2nc([N-]S(=O)(=O)C3=Cc4ccccc4CC3)sc2C1 ZINC000740530036 601977219 /nfs/dbraw/zinc/97/72/19/601977219.db2.gz JTDFRWDETSZZSW-UHFFFAOYSA-N -2 0 391.474 2.908 20 0 GFADRL O=C([O-])N1CCc2nc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)sc2C1 ZINC000740529289 601977354 /nfs/dbraw/zinc/97/73/54/601977354.db2.gz FFLJDYSTFPHLFY-UHFFFAOYSA-N -2 0 393.490 2.859 20 0 GFADRL Cc1ccc(/C=C/S(=O)(=O)[N-]c2nc3c(s2)CN(C(=O)[O-])CC3)cc1 ZINC000740124172 601977374 /nfs/dbraw/zinc/97/73/74/601977374.db2.gz QQMXYAKSBZQZRQ-VQHVLOKHSA-N -2 0 379.463 2.900 20 0 GFADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000477432615 601985737 /nfs/dbraw/zinc/98/57/37/601985737.db2.gz YCUNLSIRQQGLHS-UHFFFAOYSA-N -2 0 377.418 2.856 20 0 GFADRL Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3cc(C(=O)[O-])cs3)cc2F)c1 ZINC000832987764 602116642 /nfs/dbraw/zinc/11/66/42/602116642.db2.gz ZSRYOQFFDIOPLI-UHFFFAOYSA-N -2 0 381.410 2.880 20 0 GFADRL O=C([O-])c1ccc(CS(=O)(=O)[N-][C@@H](Cc2ccccc2)C(F)(F)F)cc1 ZINC000833316640 602214945 /nfs/dbraw/zinc/21/49/45/602214945.db2.gz IDNSGNLXNROOEW-HNNXBMFYSA-N -2 0 387.379 2.978 20 0 GFADRL O=C([O-])c1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1cc(C2CC2)[nH]n1 ZINC000833311692 602307360 /nfs/dbraw/zinc/30/73/60/602307360.db2.gz ASFPBMACQIOTEW-UHFFFAOYSA-N -2 0 375.328 2.805 20 0 GFADRL O=C([O-])c1ccc(Br)c(S(=O)(=O)[N-]c2cc(F)ccc2O)c1 ZINC000759165409 602307823 /nfs/dbraw/zinc/30/78/23/602307823.db2.gz INXIUEQGSYCJJH-UHFFFAOYSA-N -2 0 390.186 2.793 20 0 GFADRL COc1ccc(O)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c1 ZINC000759169625 602309453 /nfs/dbraw/zinc/30/94/53/602309453.db2.gz RPICWPTYEAVJGC-UHFFFAOYSA-N -2 0 375.761 2.692 20 0 GFADRL COc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(CN(C)C(=O)[O-])c2)c1 ZINC000739930653 602655727 /nfs/dbraw/zinc/65/57/27/602655727.db2.gz OHRXOEIDSUKWHK-UHFFFAOYSA-N -2 0 380.422 2.614 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(NC(=O)[O-])cc2)c(C)c1C ZINC000738061645 603004959 /nfs/dbraw/zinc/00/49/59/603004959.db2.gz DHIHTIRLBMXUBY-UHFFFAOYSA-N -2 0 378.406 2.521 20 0 GFADRL O=C([O-])N(CCNS(=O)(=O)c1c(Cl)cccc1C(F)(F)F)C1CC1 ZINC000740488175 603086134 /nfs/dbraw/zinc/08/61/34/603086134.db2.gz GMTIRZKTKKBVTJ-UHFFFAOYSA-N -2 0 386.779 2.780 20 0 GFADRL O=C([O-])NCCCOC1CCN(C(=O)c2c([O-])cc(Cl)cc2Cl)CC1 ZINC000832630060 603476566 /nfs/dbraw/zinc/47/65/66/603476566.db2.gz SUOHXMPZDNZIAL-UHFFFAOYSA-N -2 0 391.251 2.978 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(NC(=O)[O-])cc2Cl)c(F)c1 ZINC000830414794 603518701 /nfs/dbraw/zinc/51/87/01/603518701.db2.gz NGHUENFDJNGRNX-UHFFFAOYSA-N -2 0 386.788 2.996 20 0 GFADRL O=C([O-])N1CCc2nc([N-]S(=O)(=O)c3cc4ccccc4o3)sc2C1 ZINC000832092322 604013389 /nfs/dbraw/zinc/01/33/89/604013389.db2.gz IJOWBJIQTQEUNI-UHFFFAOYSA-N -2 0 379.419 2.726 20 0 GFADRL CCc1ccccc1-n1cc([O-])c(C(=O)N2CCC[C@H]([C@@H](C)NC(=O)[O-])C2)n1 ZINC000827599270 604297821 /nfs/dbraw/zinc/29/78/21/604297821.db2.gz GPAJJFKUOFAEOR-HIFRSBDPSA-N -2 0 386.452 2.649 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@H](C)[C@@H]2CCCN(C(=O)[O-])C2)c(C)c1 ZINC000830414316 604394918 /nfs/dbraw/zinc/39/49/18/604394918.db2.gz JAOYZUQAEWJUHJ-DZGCQCFKSA-N -2 0 382.482 2.525 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2nnc(C(F)(F)F)s2)c1C ZINC000832866857 604402636 /nfs/dbraw/zinc/40/26/36/604402636.db2.gz XRATWQQJADVYGR-UHFFFAOYSA-N -2 0 381.357 2.673 20 0 GFADRL C[C@@H](NC(=O)[O-])c1ccc(CNC(=O)CSc2n[n-]c(=S)s2)cc1 ZINC000825377481 604453852 /nfs/dbraw/zinc/45/38/52/604453852.db2.gz DVOCQDQFPXJFIG-MRVPVSSYSA-N -2 0 384.508 2.564 20 0 GFADRL Cc1cc(F)c(S(=O)(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)cc1C(=O)[O-] ZINC000833744394 604747647 /nfs/dbraw/zinc/74/76/47/604747647.db2.gz FEFWWBBMMOPHSO-GFCCVEGCSA-N -2 0 393.392 2.600 20 0 GFADRL O=C([O-])C1(O)CCN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])CC1 ZINC000833785661 604747852 /nfs/dbraw/zinc/74/78/52/604747852.db2.gz MEIGVYPEUMNCKI-UHFFFAOYSA-N -2 0 375.808 2.764 20 0 GFADRL COC(=O)C1(c2ccc(S(=O)(=O)[N-]c3scc(C(=O)[O-])c3C)cc2)CC1 ZINC000833701464 605125811 /nfs/dbraw/zinc/12/58/11/605125811.db2.gz AMSSJDAWKPHYKZ-UHFFFAOYSA-N -2 0 395.458 2.760 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc(OC)c2OC)c(C)c1F ZINC000541164536 605262239 /nfs/dbraw/zinc/26/22/39/605262239.db2.gz JFPMUPLJEDFXHB-UHFFFAOYSA-N -2 0 399.396 2.659 20 0 GFADRL Cc1sc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)c(C(=O)[O-])c1C ZINC000833758206 605302984 /nfs/dbraw/zinc/30/29/84/605302984.db2.gz RPJVSTJYNNPUQY-UHFFFAOYSA-N -2 0 394.474 2.991 20 0 GFADRL O=C([O-])CC[C@@H]1CCCN(C(=O)C2(c3ccccc3)CCN(C(=O)[O-])CC2)C1 ZINC000834060824 605307358 /nfs/dbraw/zinc/30/73/58/605307358.db2.gz XUQSHJQMGAKDJK-INIZCTEOSA-N -2 0 388.464 2.802 20 0 GFADRL CCCN(C(=O)c1ccc2c(=O)[nH]c(=S)[n-]c2c1)C1CCN(C(=O)[O-])CC1 ZINC000826884697 605817229 /nfs/dbraw/zinc/81/72/29/605817229.db2.gz UOTYNIPCHGWNLU-UHFFFAOYSA-N -2 0 390.465 2.619 20 0 GFADRL O=C([O-])CN(Cc1ccc(C(F)(F)F)cc1)C(=O)C1CCN(C(=O)[O-])CC1 ZINC000834064941 606048278 /nfs/dbraw/zinc/04/82/78/606048278.db2.gz HCUTZOLQBAQSJE-UHFFFAOYSA-N -2 0 388.342 2.509 20 0 GFADRL O=C([O-])N[C@H]1CCc2ncc([N-]S(=O)(=O)c3cccc(Cl)c3)cc2C1 ZINC000834195110 606080000 /nfs/dbraw/zinc/08/00/00/606080000.db2.gz WVKJPFWJSHXEAB-LBPRGKRZSA-N -2 0 381.841 2.661 20 0 GFADRL CCc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)nn1C ZINC000817355336 660191317 /nfs/dbraw/zinc/19/13/17/660191317.db2.gz VGVLQFMIVASIHQ-UHFFFAOYSA-N -2 0 377.344 2.500 20 0 GFADRL N#Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Br)cc1 ZINC000013264931 654503733 /nfs/dbraw/zinc/50/37/33/654503733.db2.gz KLDBPXSYOTXREF-UHFFFAOYSA-N -2 0 381.207 2.820 20 0 GFADRL COC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1C ZINC000028249013 654571446 /nfs/dbraw/zinc/57/14/46/654571446.db2.gz HIJVXILJDDIGKQ-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(O)c2)c(Br)s1 ZINC000040495285 654621373 /nfs/dbraw/zinc/62/13/73/654621373.db2.gz RFNSUBZIMVOEOO-UHFFFAOYSA-N -2 0 378.225 2.715 20 0 GFADRL COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc(Cl)c(C(=O)[O-])c1 ZINC000047318199 654693426 /nfs/dbraw/zinc/69/34/26/654693426.db2.gz ZJLZAPCFPOSPSB-UHFFFAOYSA-N -2 0 375.811 2.687 20 0 GFADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000067124880 654931200 /nfs/dbraw/zinc/93/12/00/654931200.db2.gz NELSFONCLFGJKD-UHFFFAOYSA-N -3 0 395.336 2.964 20 0 GFADRL O=C([O-])c1cc([N-]S(=O)(=O)c2cccnc2Cl)ccc1Br ZINC000132377826 654936158 /nfs/dbraw/zinc/93/61/58/654936158.db2.gz PMMFSVAQWGPGLL-UHFFFAOYSA-N -2 0 391.630 2.997 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2ccccc2O[C@H]2CCOC2)sc1C(=O)[O-] ZINC000268297971 654966229 /nfs/dbraw/zinc/96/62/29/654966229.db2.gz GJBBYIWTFLKOHI-NSHDSACASA-N -2 0 383.447 2.723 20 0 GFADRL CSCCCCCNS(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000229036064 655423257 /nfs/dbraw/zinc/42/32/57/655423257.db2.gz KDXZLKBPSICPQW-UHFFFAOYSA-N -2 0 386.289 2.552 20 0 GFADRL NC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)c1 ZINC000731339214 655583211 /nfs/dbraw/zinc/58/32/11/655583211.db2.gz RCGSRFABSBFYCB-UHFFFAOYSA-N -2 0 389.216 2.591 20 0 GFADRL COC(=O)c1csc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Cl)c1 ZINC000753781389 655858607 /nfs/dbraw/zinc/85/86/07/655858607.db2.gz AENAKFYPXPESEC-UHFFFAOYSA-N -2 0 389.838 2.996 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)cc(C(=O)[O-])c1Cl ZINC000759090196 655946910 /nfs/dbraw/zinc/94/69/10/655946910.db2.gz NAGWSOLYRKIOJK-UHFFFAOYSA-N -3 0 385.781 2.551 20 0 GFADRL Cc1noc2ncc([N-]S(=O)(=O)c3cc(C)c(Cl)c(C(=O)[O-])c3)cc12 ZINC000759103000 655947655 /nfs/dbraw/zinc/94/76/55/655947655.db2.gz QPGPLXONVMQTRV-UHFFFAOYSA-N -2 0 381.797 2.992 20 0 GFADRL COc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)[O-])cnc1Cl ZINC000767448805 656203445 /nfs/dbraw/zinc/20/34/45/656203445.db2.gz BGATYJMGIVVNJG-UHFFFAOYSA-N -2 0 377.205 2.896 20 0 GFADRL C[C@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000776561494 656757880 /nfs/dbraw/zinc/75/78/80/656757880.db2.gz LWJWAHZJXOSJRE-ZCFIWIBFSA-N -2 0 375.315 2.694 20 0 GFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2c(C)[nH]nc2C(F)F)cc1C(=O)[O-] ZINC000790405302 657970231 /nfs/dbraw/zinc/97/02/31/657970231.db2.gz QBKZPMUTJJQELJ-UHFFFAOYSA-N -2 0 395.771 2.817 20 0 GFADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cccc(SC(F)(F)F)c2)C1 ZINC000910182124 664198343 /nfs/dbraw/zinc/19/83/43/664198343.db2.gz IEIPJLTUTRQBOB-ONGXEEELSA-N -2 0 377.340 2.689 20 0 GFADRL Cc1ccc([N-]S(=O)(=O)c2ccc(Br)c(C(=O)[O-])c2)c(O)c1 ZINC000916101982 664450088 /nfs/dbraw/zinc/45/00/88/664450088.db2.gz KJASKGNECKYPFX-UHFFFAOYSA-N -2 0 386.223 2.962 20 0 GFADRL CNC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000055651658 551174331 /nfs/dbraw/zinc/17/43/31/551174331.db2.gz SJKAYKQPTPAVII-UHFFFAOYSA-N -2 0 388.854 2.569 20 0 GFADRL O=C([O-])c1cc(F)c(F)cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000181249818 552251123 /nfs/dbraw/zinc/25/11/23/552251123.db2.gz PAOBDQFUMYZYOS-UHFFFAOYSA-N -2 0 382.266 2.878 20 0 GFADRL CC(=O)N1CCCc2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)ccc21 ZINC000299481930 563384050 /nfs/dbraw/zinc/38/40/50/563384050.db2.gz CLMHCNAMCPABGK-UHFFFAOYSA-N -2 0 380.447 2.546 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)ccc1Br ZINC000314522021 563439236 /nfs/dbraw/zinc/43/92/36/563439236.db2.gz YJMZNHSWVFCECR-UHFFFAOYSA-N -2 0 386.223 2.962 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)ccc1Br ZINC000317386710 563442460 /nfs/dbraw/zinc/44/24/60/563442460.db2.gz ALSHZMCWNLULGT-UHFFFAOYSA-N -2 0 386.223 2.962 20 0 GFADRL CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)[O-])c(F)c1 ZINC000326777489 563456162 /nfs/dbraw/zinc/45/61/62/563456162.db2.gz SRXCDNMQLBWFSN-UHFFFAOYSA-N -2 0 386.788 2.937 20 0 GFADRL CCCNC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)c1 ZINC000327439940 563457808 /nfs/dbraw/zinc/45/78/08/563457808.db2.gz QVXOFTIYDGYZMF-UHFFFAOYSA-N -2 0 382.463 2.695 20 0 GFADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(N2CCCC2=O)c1 ZINC000327465742 563458870 /nfs/dbraw/zinc/45/88/70/563458870.db2.gz XTEPVQHJGUEPJP-UHFFFAOYSA-N -2 0 380.447 2.682 20 0 GFADRL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000392755610 563527010 /nfs/dbraw/zinc/52/70/10/563527010.db2.gz DLIQFUUUVYRVEV-UHFFFAOYSA-N -2 0 387.772 2.985 20 0 GFADRL COc1cc(S(=O)(=O)[N-]c2ncsc2C(C)C)cc(C(=O)[O-])c1OC ZINC000288122738 563630145 /nfs/dbraw/zinc/63/01/45/563630145.db2.gz CZNLNJTZRFKORP-UHFFFAOYSA-N -2 0 386.451 2.783 20 0 GFADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000438766215 563710666 /nfs/dbraw/zinc/71/06/66/563710666.db2.gz WJLXLRADKFUUSS-UHFFFAOYSA-N -3 0 385.781 2.546 20 0 GFADRL O=C([N-]C[C@H]1CCCN(C(=O)c2cc(F)cc(Cl)c2[O-])C1)C(F)(F)F ZINC000291218082 563734584 /nfs/dbraw/zinc/73/45/84/563734584.db2.gz WACBGUFJXYGUBL-MRVPVSSYSA-N -2 0 382.741 2.715 20 0 GFADRL Cc1nc(=NC(=O)c2sccc2S(=O)(=O)[N-]c2ccc(C)cc2)s[n-]1 ZINC000440289471 563739277 /nfs/dbraw/zinc/73/92/77/563739277.db2.gz CFFCYSOHUJKCQL-UHFFFAOYSA-N -2 0 394.503 2.691 20 0 GFADRL COC(=O)c1cc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c(C)cc1C ZINC000471582975 564199617 /nfs/dbraw/zinc/19/96/17/564199617.db2.gz SCIJTUKJSSEPNK-UHFFFAOYSA-N -2 0 383.447 2.959 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)[N-]c3nccs3)c2)o1 ZINC000539112732 564210619 /nfs/dbraw/zinc/21/06/19/564210619.db2.gz YGNHGKLZJYXPJE-UHFFFAOYSA-N -2 0 399.475 2.646 20 0 GFADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@@]1(C(=O)[O-])CCC(C)(C)c2ccccc21 ZINC000541929408 564295516 /nfs/dbraw/zinc/29/55/16/564295516.db2.gz UWCAIARZZGEYSE-BONVTDFDSA-N -2 0 379.400 2.908 20 0 GFADRL O=C([O-])c1ccccc1[N-]S(=O)(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000544647839 564391279 /nfs/dbraw/zinc/39/12/79/564391279.db2.gz PPRXTMFEKVULTP-UHFFFAOYSA-N -2 0 376.312 2.522 20 0 GFADRL CO[C@@H](CS(=O)(=O)[N-]c1cc(Br)cc(Cl)c1[O-])C1CC1 ZINC000514937219 564462916 /nfs/dbraw/zinc/46/29/16/564462916.db2.gz COPQMPZHEQWRIA-NSHDSACASA-N -2 0 384.679 2.975 20 0 GFADRL COc1cc(Cl)c(Cl)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000480213034 564464291 /nfs/dbraw/zinc/46/42/91/564464291.db2.gz JARKBVWEIIYAMW-UHFFFAOYSA-N -2 0 379.221 2.840 20 0 GFADRL O=C([O-])[C@H](Cc1cccc(Cl)c1)[N-]S(=O)(=O)c1c(F)cccc1F ZINC000547936173 564523883 /nfs/dbraw/zinc/52/38/83/564523883.db2.gz CREACGOQJXPUCC-ZDUSSCGKSA-N -2 0 375.780 2.592 20 0 GFADRL COC(=O)c1cc(C)ccc1S(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)[O-] ZINC000548527590 564555625 /nfs/dbraw/zinc/55/56/25/564555625.db2.gz OSEVPFLNOFZRMS-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL O=C([O-])[C@@H](Cc1cccc(Cl)c1)NS(=O)(=O)c1cc(F)c(F)cc1F ZINC000548570698 564562496 /nfs/dbraw/zinc/56/24/96/564562496.db2.gz UXNMKLMBAWYFSX-CYBMUJFWSA-N -2 0 393.770 2.732 20 0 GFADRL CC(C)=CCSC[C@H](NS(=O)(=O)c1cc(F)c(F)c(F)c1)C(=O)[O-] ZINC000548590821 564564574 /nfs/dbraw/zinc/56/45/74/564564574.db2.gz AGPSNIYVZTZGKP-LBPRGKRZSA-N -2 0 383.413 2.535 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)cs1 ZINC000484571245 564590856 /nfs/dbraw/zinc/59/08/56/564590856.db2.gz FITQWFKLFAIGJO-UHFFFAOYSA-N -2 0 375.811 2.687 20 0 GFADRL CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000572456547 564594876 /nfs/dbraw/zinc/59/48/76/564594876.db2.gz DNRWUJQRDTWIMJ-SNVBAGLBSA-N -2 0 386.214 2.505 20 0 GFADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2cc(Cl)ccc2F)c1OC ZINC000551466544 564650920 /nfs/dbraw/zinc/65/09/20/564650920.db2.gz PMIYBXVTCMOFTI-UHFFFAOYSA-N -2 0 389.788 2.995 20 0 GFADRL CC(=O)Nc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000574008911 564664573 /nfs/dbraw/zinc/66/45/73/564664573.db2.gz OVKAILHUKRQGSK-UHFFFAOYSA-N -2 0 382.825 2.726 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2O)c(F)c1 ZINC000525751835 564707308 /nfs/dbraw/zinc/70/73/08/564707308.db2.gz UKIHODGGSFUEPL-UHFFFAOYSA-N -2 0 390.186 2.793 20 0 GFADRL CCc1ncc(S(=O)(=O)[N-]c2ccc(Br)c(C(=O)[O-])c2)s1 ZINC000460775136 564780096 /nfs/dbraw/zinc/78/00/96/564780096.db2.gz FABBWFXCYFDPBR-UHFFFAOYSA-N -2 0 391.268 2.967 20 0 GFADRL Cn1ncc([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)c1C(=O)[O-] ZINC000560448845 564962314 /nfs/dbraw/zinc/96/23/14/564962314.db2.gz KJTQWAILVNOZED-UHFFFAOYSA-N -2 0 383.735 2.591 20 0 GFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(F)c(Br)c2)c(O)c1 ZINC000467758811 564971325 /nfs/dbraw/zinc/97/13/25/564971325.db2.gz PEGQFIJUXGTHDZ-UHFFFAOYSA-N -2 0 390.186 2.793 20 0 GFADRL COc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(F)c(C(=O)[O-])cc2OC)c1 ZINC000534401950 564987492 /nfs/dbraw/zinc/98/74/92/564987492.db2.gz BJMKRHRDUZCPBM-UHFFFAOYSA-N -2 0 389.788 2.995 20 0 GFADRL CCc1ccc(S(=O)(=O)[N-]c2cc3c(cc2C(=O)[O-])OCCCO3)s1 ZINC000614776313 565131717 /nfs/dbraw/zinc/13/17/17/565131717.db2.gz ZPIXVXYKLKTFFU-UHFFFAOYSA-N -2 0 383.447 2.971 20 0 GFADRL CC(=O)Nc1nc(C)c(S(=O)(=O)[N-]c2cc(C)cc(C)c2C(=O)[O-])s1 ZINC000673885788 565851741 /nfs/dbraw/zinc/85/17/41/565851741.db2.gz WUQDPCXDANTZPY-UHFFFAOYSA-N -2 0 383.451 2.526 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Br)cc2O)cs1 ZINC000608342371 566010796 /nfs/dbraw/zinc/01/07/96/566010796.db2.gz MRBQICWMMWWKLI-UHFFFAOYSA-N -2 0 378.225 2.715 20 0 GFADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1scc(C(=O)OC)c1C ZINC000611443709 566130559 /nfs/dbraw/zinc/13/05/59/566130559.db2.gz QHKHBKLFCCFOKM-UHFFFAOYSA-N -2 0 383.447 2.905 20 0 GFADRL O=C([O-])CCC1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])CC1 ZINC000656563207 566142493 /nfs/dbraw/zinc/14/24/93/566142493.db2.gz PJMNRSCVDVEHBQ-UHFFFAOYSA-N -2 0 381.372 2.677 20 0 GFADRL O=C([O-])c1sccc1S(=O)(=O)[N-]c1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC000740290596 599769102 /nfs/dbraw/zinc/76/91/02/599769102.db2.gz UVKMEVKIUVIIJA-UHFFFAOYSA-N -2 0 390.446 2.910 20 0 GFADRL C[C@@]1(C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])CCCc2ccccc21 ZINC000736729116 599797318 /nfs/dbraw/zinc/79/73/18/599797318.db2.gz VXLMQDMNYQOTGN-QGZVFWFLSA-N -2 0 379.459 2.545 20 0 GFADRL COc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(C)cc2F)c(OC)c1OC ZINC000520628649 599850949 /nfs/dbraw/zinc/85/09/49/599850949.db2.gz REJZVKNEFMGWIR-UHFFFAOYSA-N -2 0 399.396 2.659 20 0 GFADRL O=C([O-])CCc1ccc([N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)cc1 ZINC000739767763 599853828 /nfs/dbraw/zinc/85/38/28/599853828.db2.gz YAKSUAZHDSPEBN-UHFFFAOYSA-N -2 0 392.408 2.528 20 0 GFADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(Cl)c1-n1cncn1 ZINC000477395577 599905763 /nfs/dbraw/zinc/90/57/63/599905763.db2.gz DUNBLWOEEXAPLW-UHFFFAOYSA-N -2 0 392.824 2.728 20 0 GFADRL Cc1noc2ncc(S(=O)(=O)[N-]c3cc(C(=O)[O-])ccc3OC(C)C)cc12 ZINC000484990546 599926534 /nfs/dbraw/zinc/92/65/34/599926534.db2.gz WFYHOHZIAQQXCQ-UHFFFAOYSA-N -2 0 391.405 2.817 20 0 GFADRL Cc1cc(NC(=O)CCn2c(=O)c3ccccc3[n-]c2=S)ccc1C(=O)[O-] ZINC000738427778 599950138 /nfs/dbraw/zinc/95/01/38/599950138.db2.gz IKQXOIJGMCCYEB-UHFFFAOYSA-N -2 0 383.429 2.721 20 0 GFADRL CCNC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000737124077 600004771 /nfs/dbraw/zinc/00/47/71/600004771.db2.gz UYAHCOIUFURSLO-UHFFFAOYSA-N -2 0 388.854 2.650 20 0 GFADRL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000392720093 600005480 /nfs/dbraw/zinc/00/54/80/600005480.db2.gz FIDOCDVELVBXOL-UHFFFAOYSA-N -2 0 386.769 2.756 20 0 GFADRL CS(=O)(=O)[N-]c1cc2ccccc2cc1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000738164676 600052941 /nfs/dbraw/zinc/05/29/41/600052941.db2.gz WSPMBGDSIBKQKH-UHFFFAOYSA-N -2 0 390.461 2.585 20 0 GFADRL COc1cc(F)c(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)[O-])c2)cc1OC ZINC000737888607 600100917 /nfs/dbraw/zinc/10/09/17/600100917.db2.gz GIGPZIYBXVAYCF-UHFFFAOYSA-N -2 0 388.348 2.873 20 0 GFADRL CCn1c(=O)c2ccc(C(=O)Oc3ccc(C)cc3C(=O)[O-])cc2[n-]c1=S ZINC000737295075 600133361 /nfs/dbraw/zinc/13/33/61/600133361.db2.gz BTHYMINSDJYZSL-UHFFFAOYSA-N -2 0 384.413 2.931 20 0 GFADRL COc1cc([N-]S(=O)(=O)c2cccc3cccnc32)c(C(=O)[O-])cc1OC ZINC000522472848 600204076 /nfs/dbraw/zinc/20/40/76/600204076.db2.gz OJSSXTILQKLLOY-UHFFFAOYSA-N -2 0 388.401 2.751 20 0 GFADRL CC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1C ZINC000736168119 600231426 /nfs/dbraw/zinc/23/14/26/600231426.db2.gz BFAYKAQVIXBFSI-UHFFFAOYSA-N -2 0 384.360 2.731 20 0 GFADRL O=C([O-])c1cc(Br)cc(S(=O)(=O)[N-]c2n[nH]c3ccccc32)c1 ZINC000740068305 600244326 /nfs/dbraw/zinc/24/43/26/600244326.db2.gz CYSFYHTUZSUOMT-UHFFFAOYSA-N -2 0 396.222 2.824 20 0 GFADRL CC(C)(Cc1ccccc1)C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000736323819 600471600 /nfs/dbraw/zinc/47/16/00/600471600.db2.gz MGMWPGFTCXNMCG-UHFFFAOYSA-N -2 0 375.446 2.600 20 0 GFADRL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000063180378 600482645 /nfs/dbraw/zinc/48/26/45/600482645.db2.gz MICNHQLCWAOXPP-UHFFFAOYSA-N -2 0 385.781 2.551 20 0 GFADRL Cc1sc(NC(=O)COC(=O)c2c(F)cc([O-])cc2F)c(C(=O)[O-])c1C ZINC000738998102 600580983 /nfs/dbraw/zinc/58/09/83/600580983.db2.gz XKROWZRYRVBWRQ-UHFFFAOYSA-N -2 0 385.344 2.842 20 0 GFADRL CCOc1ccc(OCC)c([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1 ZINC000267153520 600625835 /nfs/dbraw/zinc/62/58/35/600625835.db2.gz HTBRREXIMOSPTB-UHFFFAOYSA-N -2 0 379.434 2.912 20 0 GFADRL COc1ccc(OC(F)F)c([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1 ZINC000481966642 600627083 /nfs/dbraw/zinc/62/70/83/600627083.db2.gz HJZQRZKQQJKUJR-UHFFFAOYSA-N -2 0 387.360 2.725 20 0 GFADRL CC(C)c1nc2ccc([N-]S(=O)(=O)c3cnn(CC(=O)[O-])c3)cc2s1 ZINC000827152555 600677672 /nfs/dbraw/zinc/67/76/72/600677672.db2.gz JBQCDALWHUSQIB-UHFFFAOYSA-N -2 0 380.451 2.502 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnn(Cc3ccc(Cl)cc3)c2)o1 ZINC000833324488 600688770 /nfs/dbraw/zinc/68/87/70/600688770.db2.gz SNSAPRROEHAMTI-UHFFFAOYSA-N -2 0 381.797 2.677 20 0 GFADRL Cc1[nH]nc(S(=O)(=O)[N-]c2cccc(N3CCCCCC3)c2)c1C(=O)[O-] ZINC000738336932 600757101 /nfs/dbraw/zinc/75/71/01/600757101.db2.gz BHMJRSLIEMQHNZ-UHFFFAOYSA-N -2 0 378.454 2.598 20 0 GFADRL CC(=O)Nc1cc(F)c(F)cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000509589318 600814106 /nfs/dbraw/zinc/81/41/06/600814106.db2.gz ZBASGEXIRDAKMI-UHFFFAOYSA-N -2 0 384.360 2.731 20 0 GFADRL CN(C)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c(C(F)(F)F)c1 ZINC000830639971 600830094 /nfs/dbraw/zinc/83/00/94/600830094.db2.gz VNNWGCQQBNUINS-UHFFFAOYSA-N -2 0 391.371 2.609 20 0 GFADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2c(C)nn(C(C)C)c2C)c1OC ZINC000608760800 600897640 /nfs/dbraw/zinc/89/76/40/600897640.db2.gz GLOIZWZNNFFZHQ-UHFFFAOYSA-N -2 0 397.453 2.597 20 0 GFADRL CC(C)C[C@H](CNC(=O)c1cc2ccccc2cc1[N-]S(C)(=O)=O)C(=O)[O-] ZINC000736404634 600926662 /nfs/dbraw/zinc/92/66/62/600926662.db2.gz ZFVKZTKBHKGIML-OAHLLOKOSA-N -2 0 392.477 2.688 20 0 GFADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000833348333 600938679 /nfs/dbraw/zinc/93/86/79/600938679.db2.gz SYWOHWCPGYOCJI-UGSOOPFHSA-N -2 0 391.470 2.545 20 0 GFADRL Cn1c(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)ccc1-c1ccccc1 ZINC000833039140 600941110 /nfs/dbraw/zinc/94/11/10/600941110.db2.gz XNFGCHNQQCXCAK-UHFFFAOYSA-N -2 0 390.442 2.571 20 0 GFADRL C[C@@H](CCc1ccccc1F)C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000827428128 600944674 /nfs/dbraw/zinc/94/46/74/600944674.db2.gz SGOJRMZIRFJDCO-LBPRGKRZSA-N -2 0 379.409 2.598 20 0 GFADRL Cc1c(Br)cccc1C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000832848063 600944752 /nfs/dbraw/zinc/94/47/52/600944752.db2.gz MMSXNUOGYUTDTG-UHFFFAOYSA-N -2 0 398.234 2.574 20 0 GFADRL Cc1csc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Br)n1 ZINC000021013715 600974152 /nfs/dbraw/zinc/97/41/52/600974152.db2.gz YAPGAFUBANVNQX-UHFFFAOYSA-N -2 0 377.241 2.713 20 0 GFADRL Cc1ccc(Cn2nccc2[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)o1 ZINC000832935915 600981306 /nfs/dbraw/zinc/98/13/06/600981306.db2.gz ODWDIFKHJQNOFL-UHFFFAOYSA-N -2 0 375.406 2.640 20 0 GFADRL COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccn1 ZINC000831480178 600982404 /nfs/dbraw/zinc/98/24/04/600982404.db2.gz YJCVRWWBSVKNRC-UHFFFAOYSA-N -2 0 392.414 2.582 20 0 GFADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)[N-]c2cc(Cl)cc(C)c2O)c1 ZINC000737682406 601116432 /nfs/dbraw/zinc/11/64/32/601116432.db2.gz MHSNDSZZJVDBTO-UHFFFAOYSA-N -2 0 399.808 2.640 20 0 GFADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(F)c(C(=O)[O-])c(F)c2)c1 ZINC000740136862 601118751 /nfs/dbraw/zinc/11/87/51/601118751.db2.gz ZKFFLSIULJOJCN-UHFFFAOYSA-N -3 0 391.735 2.815 20 0 GFADRL C[C@H](C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-])c1ccc(Cl)s1 ZINC000826008742 601141341 /nfs/dbraw/zinc/14/13/41/601141341.db2.gz MDYLIYTUEYTOHO-LURJTMIESA-N -2 0 379.868 2.770 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]C(=O)CCc2ccc(C(=O)[O-])cc2)cc1Cl ZINC000832954594 601193056 /nfs/dbraw/zinc/19/30/56/601193056.db2.gz JVZJVLSTDZSFDJ-UHFFFAOYSA-N -2 0 381.837 2.784 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2n[nH]c3ccccc32)c(Br)c1 ZINC000738688561 601200530 /nfs/dbraw/zinc/20/05/30/601200530.db2.gz DHJXMUWIZGFVRQ-UHFFFAOYSA-N -2 0 396.222 2.824 20 0 GFADRL CC[C@@H](Oc1ccccc1Cl)C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000829014807 601206562 /nfs/dbraw/zinc/20/65/62/601206562.db2.gz QTOAHLIIVGGKGG-CQSZACIVSA-N -2 0 397.836 2.701 20 0 GFADRL Cc1oc(S(=O)(=O)N[C@@H](C)c2ncc(-c3ccccc3)o2)cc1C(=O)[O-] ZINC000833027736 601222723 /nfs/dbraw/zinc/22/27/23/601222723.db2.gz JATKBDZJHFRHMJ-JTQLQIEISA-N -2 0 376.390 2.981 20 0 GFADRL CC(=O)Nc1ccc2nc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(C)o3)sc2c1 ZINC000825913356 601228970 /nfs/dbraw/zinc/22/89/70/601228970.db2.gz PUAWZBJCVFCYNW-UHFFFAOYSA-N -2 0 395.418 2.655 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2ccc(Br)cc2F)cc1C(=O)[O-] ZINC000833029102 601231548 /nfs/dbraw/zinc/23/15/48/601231548.db2.gz BHAHYRNZKXQYQB-UHFFFAOYSA-N -2 0 378.175 2.989 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2ccc(OC[C@H]3CCCO3)cc2)cc1C(=O)[O-] ZINC000833030543 601232205 /nfs/dbraw/zinc/23/22/05/601232205.db2.gz ZZLFEWUGTLIXBX-CQSZACIVSA-N -2 0 381.406 2.645 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2ccc3[nH]c([C@H]4CCCO4)nc3c2)cc1C(=O)[O-] ZINC000833030360 601233318 /nfs/dbraw/zinc/23/33/18/601233318.db2.gz UDULEWCIWRTNQE-CQSZACIVSA-N -2 0 391.405 2.815 20 0 GFADRL O=C([O-])c1cc(C(F)(F)F)cc(S(=O)(=O)[N-]C(=O)[C@H]2CC23CCCC3)c1 ZINC000833298260 601302855 /nfs/dbraw/zinc/30/28/55/601302855.db2.gz QYIRAYIRLMJEEE-GFCCVEGCSA-N -2 0 391.367 2.789 20 0 GFADRL CCC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)cc1 ZINC000042794191 601324019 /nfs/dbraw/zinc/32/40/19/601324019.db2.gz QYYHGEKYKGEBDF-UHFFFAOYSA-N -2 0 378.406 2.543 20 0 GFADRL Cc1cc(C)c(NS(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)c(C(=O)[O-])c1 ZINC000832874259 601329356 /nfs/dbraw/zinc/32/93/56/601329356.db2.gz JFISLNKDGIGCDM-YVMONPNESA-N -2 0 375.402 2.900 20 0 GFADRL CCOc1ccc(S(=O)(=O)Nc2ccc(C)c(C(=O)[O-])c2)cc1C(=O)[O-] ZINC000438728143 601334596 /nfs/dbraw/zinc/33/45/96/601334596.db2.gz YBWRKLRBQDLGRP-UHFFFAOYSA-N -2 0 379.390 2.591 20 0 GFADRL Cc1cc(C)c(C(=O)[O-])c(NS(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)c1 ZINC000832871951 601335618 /nfs/dbraw/zinc/33/56/18/601335618.db2.gz FBWJLDBEDSXKDZ-YVMONPNESA-N -2 0 375.402 2.900 20 0 GFADRL CCc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Br)cc2F)no1 ZINC000830224732 601363578 /nfs/dbraw/zinc/36/35/78/601363578.db2.gz UHRXMQPBIDIOTN-UHFFFAOYSA-N -2 0 393.190 2.638 20 0 GFADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1cccc(Oc2ccccn2)c1 ZINC000833346255 601485430 /nfs/dbraw/zinc/48/54/30/601485430.db2.gz MMXKTEVVOJLORV-UHFFFAOYSA-N -2 0 377.403 2.829 20 0 GFADRL CCc1nnc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)s1 ZINC000318482520 601501709 /nfs/dbraw/zinc/50/17/09/601501709.db2.gz BYIPLMIVZQUOEH-UHFFFAOYSA-N -2 0 382.250 2.906 20 0 GFADRL COc1cc([N-]S(=O)(=O)c2cc3ccccc3o2)c(C(=O)[O-])cc1OC ZINC000531246928 601557788 /nfs/dbraw/zinc/55/77/88/601557788.db2.gz BSTIRYRECSQKMQ-UHFFFAOYSA-N -2 0 377.374 2.949 20 0 GFADRL Cc1cc(Br)ncc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000832859756 601576796 /nfs/dbraw/zinc/57/67/96/601576796.db2.gz VYCCILHWVBRGKJ-UHFFFAOYSA-N -2 0 385.239 2.960 20 0 GFADRL CCCc1ccc(-c2cc([N-]S(=O)(=O)c3n[nH]c(C)c3C(=O)[O-])[nH]n2)cc1 ZINC000829567069 601604441 /nfs/dbraw/zinc/60/44/41/601604441.db2.gz XQDDTYALHOKAQE-UHFFFAOYSA-N -2 0 389.437 2.560 20 0 GFADRL COc1ccc(Cl)cc1-c1cc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)n[nH]1 ZINC000444416615 601605175 /nfs/dbraw/zinc/60/51/75/601605175.db2.gz BOZQPNABNKHJPH-UHFFFAOYSA-N -2 0 396.812 2.566 20 0 GFADRL C[C@H](C(=O)[O-])[C@@H](NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O)c1ccccc1 ZINC000826044853 601634430 /nfs/dbraw/zinc/63/44/30/601634430.db2.gz MRYQZCTVAWBSES-ZUZCIYMTSA-N -2 0 383.429 2.816 20 0 GFADRL COC(=O)c1c(F)cccc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000729664865 601828453 /nfs/dbraw/zinc/82/84/53/601828453.db2.gz YANQEZWGAJUNDP-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL COC(=O)c1nscc1S(=O)(=O)[N-]c1cc2ccccc2cc1C(=O)[O-] ZINC000755967859 601835595 /nfs/dbraw/zinc/83/55/95/601835595.db2.gz SVUYKLGYRALJQG-UHFFFAOYSA-N -2 0 392.414 2.582 20 0 GFADRL Cc1ccc(Cn2nccc2[N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)o1 ZINC000832935941 601843956 /nfs/dbraw/zinc/84/39/56/601843956.db2.gz QTORAVYXKQUXNQ-UHFFFAOYSA-N -2 0 395.824 2.985 20 0 GFADRL COCCCOc1ccccc1[N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000831705535 601859903 /nfs/dbraw/zinc/85/99/03/601859903.db2.gz QOUASXCIMXNAIM-UHFFFAOYSA-N -2 0 383.397 2.740 20 0 GFADRL COC(=O)c1ccc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])cc1Cl ZINC000831434853 601862817 /nfs/dbraw/zinc/86/28/17/601862817.db2.gz HJNIYIBBRUQRAT-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL CCOc1ccc(S(=O)(=O)Nc2cccc(CC(=O)[O-])c2)cc1OCC ZINC000462099950 601986704 /nfs/dbraw/zinc/98/67/04/601986704.db2.gz TZMNUPFWWNZPNS-UHFFFAOYSA-N -2 0 379.434 2.912 20 0 GFADRL O=C([O-])Nc1cc(C(=O)NC2(c3nnn[n-]3)CCCC2)cc(C(F)(F)F)c1 ZINC000833280686 602015027 /nfs/dbraw/zinc/01/50/27/602015027.db2.gz AIZQENJFUZTOPI-UHFFFAOYSA-N -2 0 384.318 2.508 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(-c3cccc(F)c3F)[nH]n2)ccc1O ZINC000833304012 602119681 /nfs/dbraw/zinc/11/96/81/602119681.db2.gz IZDSUZOIHGNKFX-UHFFFAOYSA-N -2 0 395.343 2.560 20 0 GFADRL Cn1c(Cl)ncc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000776434878 602196377 /nfs/dbraw/zinc/19/63/77/602196377.db2.gz PAKQZMXOSMJBQI-UHFFFAOYSA-N -2 0 383.735 2.591 20 0 GFADRL COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc1F ZINC000761908376 602321185 /nfs/dbraw/zinc/32/11/85/602321185.db2.gz XUIYYJICDZRZQB-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])cc2)c(F)cc1F ZINC000737682257 602490590 /nfs/dbraw/zinc/49/05/90/602490590.db2.gz YFOIKZPCMGBBBG-UHFFFAOYSA-N -2 0 386.332 2.642 20 0 GFADRL O=C([O-])N1CCC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000738508400 602686688 /nfs/dbraw/zinc/68/66/88/602686688.db2.gz PKZIJAIJKJJSOR-INIZCTEOSA-N -2 0 388.445 2.549 20 0 GFADRL O=C([O-])Nc1cc2c(cc1[N-]S(=O)(=O)c1cnc3ccsc3c1)OCO2 ZINC000832829496 603729450 /nfs/dbraw/zinc/72/94/50/603729450.db2.gz SNMLQXLAAIMKDC-UHFFFAOYSA-N -2 0 393.402 2.916 20 0 GFADRL Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@@H](NC(=O)[O-])C2)c1C ZINC000829986208 604212389 /nfs/dbraw/zinc/21/23/89/604212389.db2.gz LNRQSJASHXUUKS-HUUCEWRRSA-N -2 0 382.482 2.552 20 0 GFADRL Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)C[C@H](C)[C@H]2CCCN(C(=O)[O-])C2)c1 ZINC000830276061 604394930 /nfs/dbraw/zinc/39/49/30/604394930.db2.gz ZJRTXKIOAWLOGP-GJZGRUSLSA-N -2 0 382.482 2.525 20 0 GFADRL Cc1c(C(F)(F)F)cccc1S(=O)(=O)[N-]C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000832853767 604397062 /nfs/dbraw/zinc/39/70/62/604397062.db2.gz UVKMDAJFJLINGD-WDEREUQCSA-N -2 0 393.383 2.710 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(F)(F)F)c2)s1 ZINC000833323362 604400072 /nfs/dbraw/zinc/40/00/72/604400072.db2.gz HLKGEXRDDRDITI-UHFFFAOYSA-N -3 0 395.336 2.964 20 0 GFADRL O=C([O-])c1sccc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000833321345 604400151 /nfs/dbraw/zinc/40/01/51/604400151.db2.gz ARVBGSPSPCVOFO-UHFFFAOYSA-N -2 0 395.336 2.964 20 0 GFADRL Cc1ccc(OCCCC(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c(C)c1 ZINC000832952632 604410845 /nfs/dbraw/zinc/41/08/45/604410845.db2.gz WOURWFYRAVQFPW-UHFFFAOYSA-N -2 0 391.445 2.666 20 0 GFADRL CC(C)(C)OC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)cc1 ZINC000833445616 604689133 /nfs/dbraw/zinc/68/91/33/604689133.db2.gz ZMYPQKAILIBGOH-UHFFFAOYSA-N -2 0 393.421 2.928 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)cc1Cl ZINC000833781784 604748116 /nfs/dbraw/zinc/74/81/16/604748116.db2.gz OBSMOCJEBACTOB-LBPRGKRZSA-N -2 0 395.820 2.805 20 0 GFADRL CN(Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cc1)C(=O)[O-] ZINC000830840204 604769660 /nfs/dbraw/zinc/76/96/60/604769660.db2.gz LFFUYVIEYAVTCI-UHFFFAOYSA-N -3 0 398.824 2.949 20 0 GFADRL Cc1ccc(F)c(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c1C(=O)[O-] ZINC000833749702 604944041 /nfs/dbraw/zinc/94/40/41/604944041.db2.gz SALBFDJBTLXHGK-UHFFFAOYSA-N -2 0 387.772 2.985 20 0 GFADRL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000833741802 605127501 /nfs/dbraw/zinc/12/75/01/605127501.db2.gz XAHJMZRISWHBLE-UHFFFAOYSA-N -2 0 380.447 2.682 20 0 GFADRL Cc1cc(F)c(S(=O)(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)cc1C(=O)[O-] ZINC000366806738 605166712 /nfs/dbraw/zinc/16/67/12/605166712.db2.gz XXFNCJCBYTVVJI-NSHDSACASA-N -2 0 393.392 2.600 20 0 GFADRL Cc1cnn(-c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2sc(C)nc2C)c1 ZINC000833754361 605190809 /nfs/dbraw/zinc/19/08/09/605190809.db2.gz MVWWYVZGLSSSMH-UHFFFAOYSA-N -2 0 392.462 2.753 20 0 GFADRL CC(C)CN1Cc2cccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])nc3)c2C1 ZINC000833488081 605447094 /nfs/dbraw/zinc/44/70/94/605447094.db2.gz OQCQUJXAOFRORJ-UHFFFAOYSA-N -2 0 375.450 2.552 20 0 GFADRL O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000834174634 606062881 /nfs/dbraw/zinc/06/28/81/606062881.db2.gz XFABJRIKJQVDQI-FGTMMUONSA-N -2 0 384.432 2.636 20 0 GFADRL O=C([O-])NCc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1 ZINC000834247479 606072051 /nfs/dbraw/zinc/07/20/51/606072051.db2.gz XNAMKTQUGGAERK-CQSZACIVSA-N -2 0 380.759 2.802 20 0 GFADRL O=C([O-])N[C@@H](CCC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000834138791 606112741 /nfs/dbraw/zinc/11/27/41/606112741.db2.gz WYMRFFUOLULZIV-ROUUACIJSA-N -2 0 382.416 2.986 20 0 GFADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2cccc(N3CCCCC3=O)c2)c1 ZINC000024956971 654546153 /nfs/dbraw/zinc/54/61/53/654546153.db2.gz QRIJEKAOWZGSGH-UHFFFAOYSA-N -2 0 380.447 2.764 20 0 GFADRL COCCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000032631037 654606687 /nfs/dbraw/zinc/60/66/87/654606687.db2.gz MUKORLGZCQWEHH-UHFFFAOYSA-N -2 0 385.825 2.864 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)nc2)sc1C(=O)[O-] ZINC000042792396 654644653 /nfs/dbraw/zinc/64/46/53/654644653.db2.gz VZLXMGXAQUDHSX-UHFFFAOYSA-N -2 0 396.368 2.892 20 0 GFADRL COCCOc1c(Cl)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000266792436 654894056 /nfs/dbraw/zinc/89/40/56/654894056.db2.gz PQZICEWDBNMBRO-UHFFFAOYSA-N -2 0 389.813 2.766 20 0 GFADRL Cc1cc(S(=O)(=O)Nc2cccc(Cl)c2C(=O)[O-])cc(C(=O)[O-])c1F ZINC000763281608 656078256 /nfs/dbraw/zinc/07/82/56/656078256.db2.gz QISBDAKHBVZLOR-UHFFFAOYSA-N -2 0 387.772 2.985 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnn(C(F)F)c2)c(F)c(Cl)c1F ZINC000766374568 656169857 /nfs/dbraw/zinc/16/98/57/656169857.db2.gz GNWAVMBGBAXELJ-UHFFFAOYSA-N -2 0 387.698 2.709 20 0 GFADRL COC(=O)c1csc([N-]S(=O)(=O)c2cc(C)c(F)c(C(=O)[O-])c2)c1C ZINC000776282389 656726655 /nfs/dbraw/zinc/72/66/55/656726655.db2.gz UJDIJZGEIAJJMV-UHFFFAOYSA-N -2 0 387.410 2.790 20 0 GFADRL O=C([N-]N1CCCC1=O)c1nn(-c2cc(Cl)c(Cl)cc2Cl)cc1[O-] ZINC000780706997 657024330 /nfs/dbraw/zinc/02/43/30/657024330.db2.gz SSUGEVUEIPBGIY-UHFFFAOYSA-N -2 0 389.626 2.805 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)c(F)cc1Cl ZINC000794761495 658609810 /nfs/dbraw/zinc/60/98/10/658609810.db2.gz ZVRJFUSQCHWWPI-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL C[C@@H](Sc1ccc([N-]S(=O)(=O)c2cnn(CC3CC3)c2)cc1)C(=O)[O-] ZINC000794767569 658611743 /nfs/dbraw/zinc/61/17/43/658611743.db2.gz OLUWGHYXUYWWCS-LLVKDONJSA-N -2 0 381.479 2.659 20 0 GFADRL O=C([O-])C1(C(=O)[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CC=CC1 ZINC000863955400 662350980 /nfs/dbraw/zinc/35/09/80/662350980.db2.gz KZVYDOWVZIZVGY-UHFFFAOYSA-N -2 0 397.758 2.585 20 0 GFADRL Cc1c(C)c(S(=O)(=O)[N-]C(=O)CCCCC(=O)[O-])ccc1Br ZINC000863955643 662351052 /nfs/dbraw/zinc/35/10/52/662351052.db2.gz SWYZCWWZZZHNKJ-UHFFFAOYSA-N -2 0 392.271 2.516 20 0 GFADRL Cc1ccc(Cl)c(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)(C)C)c1Cl ZINC000863961850 662351643 /nfs/dbraw/zinc/35/16/43/662351643.db2.gz VCSISSGAVJULNN-VIFPVBQESA-N -2 0 382.265 2.854 20 0 GFADRL CC(C)(C[N-]S(=O)(=O)c1oc2ccccc2c1Br)C(=O)[O-] ZINC000864433566 662370812 /nfs/dbraw/zinc/37/08/12/662370812.db2.gz OWHLGEYORPSVBT-UHFFFAOYSA-N -2 0 376.228 2.584 20 0 GFADRL CC[C@@H](CNC(=O)c1cc(Br)c([O-])c(Br)c1)C(=O)[O-] ZINC000902847710 663768593 /nfs/dbraw/zinc/76/85/93/663768593.db2.gz HJPUEEVJCUYCHV-LURJTMIESA-N -2 0 395.047 2.758 20 0 GFADRL O=C([O-])C1(NC(=O)c2cc(Br)c([O-])c(Br)c2)CCC1 ZINC000909337872 664153703 /nfs/dbraw/zinc/15/37/03/664153703.db2.gz ZWAWVRXUBCAYBG-UHFFFAOYSA-N -2 0 393.031 2.654 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCO3)c(Cl)c1 ZINC000373905930 563354525 /nfs/dbraw/zinc/35/45/25/563354525.db2.gz NTTAEGWAGXWTBV-UHFFFAOYSA-N -2 0 381.793 2.804 20 0 GFADRL CC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1 ZINC000299173675 563377210 /nfs/dbraw/zinc/37/72/10/563377210.db2.gz ZFDYKFNHNMQATN-JTQLQIEISA-N -2 0 382.463 2.775 20 0 GFADRL COc1cc([N-]S(=O)(=O)c2ccccc2Br)ccc1C(=O)[O-] ZINC000318489867 563444253 /nfs/dbraw/zinc/44/42/53/563444253.db2.gz MSVIHBAMPWZZBF-UHFFFAOYSA-N -2 0 386.223 2.957 20 0 GFADRL O=C(NCCCNC(=O)c1ccc([O-])c(Cl)c1)c1ccc([O-])c(Cl)c1 ZINC000436877127 563684289 /nfs/dbraw/zinc/68/42/89/563684289.db2.gz FAFTUTPYKUKCMP-UHFFFAOYSA-N -2 0 383.231 2.955 20 0 GFADRL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1O ZINC000436998325 563687412 /nfs/dbraw/zinc/68/74/12/563687412.db2.gz YPRLFPAHPWAKJH-UHFFFAOYSA-N -3 0 385.781 2.551 20 0 GFADRL O=C([O-])c1ccc([O-])c(S(=O)(=O)Nc2cc(Br)ccc2F)c1 ZINC000436994578 563687484 /nfs/dbraw/zinc/68/74/84/563687484.db2.gz NISQNGUSOWOFIF-UHFFFAOYSA-N -2 0 390.186 2.793 20 0 GFADRL CCn1cc(S(=O)(=O)[N-]c2cc(OC)c(Cl)c(OC)c2)cc1C(=O)[O-] ZINC000414387491 563732244 /nfs/dbraw/zinc/73/22/44/563732244.db2.gz JLCZWXQVIMVGRK-UHFFFAOYSA-N -2 0 388.829 2.678 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2O)cc1 ZINC000442841207 563781305 /nfs/dbraw/zinc/78/13/05/563781305.db2.gz NNFIWLNXFPNUHI-UHFFFAOYSA-N -2 0 377.296 2.790 20 0 GFADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2cc(Br)ccc2O)cc1 ZINC000443362624 563802699 /nfs/dbraw/zinc/80/26/99/563802699.db2.gz ZBIGFJHLRPAOLI-UHFFFAOYSA-N -2 0 386.223 2.583 20 0 GFADRL COc1cc(SC)ccc1[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1O ZINC000446632337 563866472 /nfs/dbraw/zinc/86/64/72/563866472.db2.gz ATLVVMOQYCLZKV-UHFFFAOYSA-N -2 0 383.447 2.930 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2C(N)=O)cc(C(=O)[O-])c1C ZINC000471127862 564186457 /nfs/dbraw/zinc/18/64/57/564186457.db2.gz TWFOPCJGOMMUNB-UHFFFAOYSA-N -2 0 382.825 2.555 20 0 GFADRL O=C([O-])c1cc([N-]S(=O)(=O)c2cncc(Cl)c2)ccc1Br ZINC000507023676 564216089 /nfs/dbraw/zinc/21/60/89/564216089.db2.gz YOBKLOQQIQKTES-UHFFFAOYSA-N -2 0 391.630 2.997 20 0 GFADRL Cn1ncc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1C(=O)[O-] ZINC000539842964 564229646 /nfs/dbraw/zinc/22/96/46/564229646.db2.gz GJFVGJKLBMDUNO-UHFFFAOYSA-N -2 0 383.735 2.591 20 0 GFADRL Cc1noc(C)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Br)c1 ZINC000476420756 564339040 /nfs/dbraw/zinc/33/90/40/564339040.db2.gz XHJPTGOSZQMNEA-UHFFFAOYSA-N -2 0 375.200 2.553 20 0 GFADRL O=C([O-])[C@@H](CC1CCCCC1)NS(=O)(=O)c1cnccc1C(F)(F)F ZINC000567125616 564358366 /nfs/dbraw/zinc/35/83/66/564358366.db2.gz DIPLIKFYELMUKB-GFCCVEGCSA-N -2 0 380.388 2.802 20 0 GFADRL Cc1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1NC(=O)N(C)C ZINC000478703702 564411624 /nfs/dbraw/zinc/41/16/24/564411624.db2.gz MPVZFDRKEVAHMK-UHFFFAOYSA-N -2 0 383.451 2.649 20 0 GFADRL CCNC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000515632284 564483769 /nfs/dbraw/zinc/48/37/69/564483769.db2.gz JXDMMSRAJYGNEF-UHFFFAOYSA-N -2 0 388.854 2.650 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2c(C)ccc(Cl)c2C(=O)[O-])c(C)o1 ZINC000547878805 564515099 /nfs/dbraw/zinc/51/50/99/564515099.db2.gz CXYVXWXYRIMHNH-UHFFFAOYSA-N -2 0 387.797 2.835 20 0 GFADRL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)c1 ZINC000481585085 564517134 /nfs/dbraw/zinc/51/71/34/564517134.db2.gz DVACNCATMRYWFE-UHFFFAOYSA-N -2 0 376.312 2.608 20 0 GFADRL O=C([O-])C1(C[N-]S(=O)(=O)c2cc(F)c(Br)cc2F)CCCC1 ZINC000548212860 564537379 /nfs/dbraw/zinc/53/73/79/564537379.db2.gz IORLYHKLGCCCSU-UHFFFAOYSA-N -2 0 398.225 2.651 20 0 GFADRL COc1ccc(S(=O)(=O)NCc2ccc(C(=O)[O-])o2)c(Cl)c1Cl ZINC000548589653 564565003 /nfs/dbraw/zinc/56/50/03/564565003.db2.gz BLIBLWNKUNBGQD-UHFFFAOYSA-N -2 0 380.205 2.772 20 0 GFADRL COc1cc(OC)cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2SC)c1 ZINC000484572376 564591095 /nfs/dbraw/zinc/59/10/95/564591095.db2.gz UHWKOQXBXCATSH-UHFFFAOYSA-N -2 0 383.447 2.925 20 0 GFADRL CS(=O)(=O)[N-]c1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C(F)F)cc1 ZINC000572437560 564594458 /nfs/dbraw/zinc/59/44/58/564594458.db2.gz IKTLNCIDFNGVMP-UHFFFAOYSA-N -2 0 394.396 2.936 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2cc3c(c(C(=O)[O-])c2)OCCO3)c(Cl)c1 ZINC000484970074 564602897 /nfs/dbraw/zinc/60/28/97/564602897.db2.gz FHRVICJAOUWBJG-UHFFFAOYSA-N -2 0 383.809 2.919 20 0 GFADRL Cc1cccc([N-]S(=O)(=O)c2cc3c(cc2Cl)OCCO3)c1C(=O)[O-] ZINC000522651474 564653844 /nfs/dbraw/zinc/65/38/44/564653844.db2.gz UZPKENLEPCOQPE-UHFFFAOYSA-N -2 0 383.809 2.919 20 0 GFADRL COc1cc(OC)c([N-]S(=O)(=O)c2ccc(Cl)s2)c(C(=O)[O-])c1 ZINC000523983671 564675293 /nfs/dbraw/zinc/67/52/93/564675293.db2.gz WSRPBNRNUJZJSQ-UHFFFAOYSA-N -2 0 377.827 2.918 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccnc2OCC(F)F)c(Cl)c1 ZINC000498485130 564899192 /nfs/dbraw/zinc/89/91/92/564899192.db2.gz RGPXCIUDZWYZBZ-UHFFFAOYSA-N -2 0 392.767 2.878 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2scnc2C2CC2)c(C)c1OCC(=O)[O-] ZINC000534235612 564983139 /nfs/dbraw/zinc/98/31/39/564983139.db2.gz MIWPQVXBOWAYTB-UHFFFAOYSA-N -2 0 382.463 2.902 20 0 GFADRL COc1nc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3F)cc2s1 ZINC000561285013 564989849 /nfs/dbraw/zinc/98/98/49/564989849.db2.gz QIQXASKOWGWHQT-UHFFFAOYSA-N -2 0 382.394 2.943 20 0 GFADRL CO[C@@H](CS(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC(F)(F)F)C(C)C ZINC000647130650 565640275 /nfs/dbraw/zinc/64/02/75/565640275.db2.gz VGUXJJSMSOOMHA-LBPRGKRZSA-N -2 0 385.360 2.696 20 0 GFADRL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cc(F)c(Br)cc1F)CC1CC1 ZINC000650432065 565821557 /nfs/dbraw/zinc/82/15/57/565821557.db2.gz LZMCEBJDKJBJFJ-MRVPVSSYSA-N -2 0 398.225 2.507 20 0 GFADRL CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)s1 ZINC000608343495 566012094 /nfs/dbraw/zinc/01/20/94/566012094.db2.gz ZFDBVEOZRZWDTF-JTQLQIEISA-N -2 0 382.463 2.753 20 0 GFADRL CN(CC(=O)[O-])C(=O)c1nn(-c2cc(Cl)c(Cl)cc2Cl)cc1[O-] ZINC000818402561 596935364 /nfs/dbraw/zinc/93/53/64/596935364.db2.gz OUHHYGFXTHTLOH-UHFFFAOYSA-N -2 0 378.599 2.695 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)c(Cl)c2)o1 ZINC000392193660 599736405 /nfs/dbraw/zinc/73/64/05/599736405.db2.gz PWLQQYWHGVZAST-UHFFFAOYSA-N -2 0 384.797 2.559 20 0 GFADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(CSCCC(=O)[O-])c2)o1 ZINC000737703689 599739570 /nfs/dbraw/zinc/73/95/70/599739570.db2.gz ZRNJGABFZXBONT-UHFFFAOYSA-N -2 0 399.446 2.575 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)ccc1N1CCSCC1 ZINC000738463874 599739969 /nfs/dbraw/zinc/73/99/69/599739969.db2.gz ZAPJBGXCTVWVOM-UHFFFAOYSA-N -2 0 382.463 2.640 20 0 GFADRL Cc1cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)ccc1OCCCC(=O)[O-] ZINC000060360533 599768250 /nfs/dbraw/zinc/76/82/50/599768250.db2.gz BWEWLUJEPIBCRI-UHFFFAOYSA-N -2 0 393.417 2.738 20 0 GFADRL CC(C)(C)OC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cn1 ZINC000736286010 599802007 /nfs/dbraw/zinc/80/20/07/599802007.db2.gz MIVRFNYBPVRAKT-UHFFFAOYSA-N -2 0 383.382 2.521 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)c(C(=O)[O-])s1 ZINC000737679723 599813814 /nfs/dbraw/zinc/81/38/14/599813814.db2.gz DBRMRTSZAQCGOB-UHFFFAOYSA-N -2 0 375.811 2.687 20 0 GFADRL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1c(Cl)nc2sccn21 ZINC000728507340 599850770 /nfs/dbraw/zinc/85/07/70/599850770.db2.gz QHYIHFNDIDYSDJ-UHFFFAOYSA-N -2 0 375.790 2.687 20 0 GFADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Br)cn2)c1 ZINC000020302008 599882627 /nfs/dbraw/zinc/88/26/27/599882627.db2.gz YXQGCQCDYMBWKL-UHFFFAOYSA-N -2 0 391.630 2.997 20 0 GFADRL Cc1ccc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])cc1C(=O)NC(C)C ZINC000738635548 599908895 /nfs/dbraw/zinc/90/88/95/599908895.db2.gz CIJMIGPHUKQXNS-UHFFFAOYSA-N -2 0 382.463 2.694 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)ccc1C(=O)[O-] ZINC000476742512 599925075 /nfs/dbraw/zinc/92/50/75/599925075.db2.gz SRWXTYOANHBEMG-UHFFFAOYSA-N -2 0 378.381 2.518 20 0 GFADRL CCC1=C(C(=O)[O-])[C@@H](c2cccc(O[C@H](C)C(=O)[O-])c2)NC(=O)N1CC1CC1 ZINC000736932641 599988099 /nfs/dbraw/zinc/98/80/99/599988099.db2.gz ULFVPYIPHIRJDE-PIGZYNQJSA-N -2 0 388.420 2.764 20 0 GFADRL O=C([O-])c1cc(C(F)(F)F)cc(S(=O)(=O)[N-]C(=O)/C=C\c2ccco2)c1 ZINC000739217412 600044917 /nfs/dbraw/zinc/04/49/17/600044917.db2.gz ZRLCMWJRFLBRJO-ARJAWSKDSA-N -2 0 389.307 2.515 20 0 GFADRL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccnn1Cc1ccccc1 ZINC000740144394 600054806 /nfs/dbraw/zinc/05/48/06/600054806.db2.gz NRXBOMHBFCHFLH-UHFFFAOYSA-N -2 0 375.381 2.570 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)n(-c2ccccc2F)n1 ZINC000738463281 600055783 /nfs/dbraw/zinc/05/57/83/600055783.db2.gz KHSQVKADGGXWSO-UHFFFAOYSA-N -2 0 381.410 2.880 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])cn1 ZINC000738041393 600057214 /nfs/dbraw/zinc/05/72/14/600057214.db2.gz JCSLWPVNAZJKJS-UHFFFAOYSA-N -2 0 376.312 2.608 20 0 GFADRL CC(C)n1cc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])cn1 ZINC000736532166 600057395 /nfs/dbraw/zinc/05/73/95/600057395.db2.gz AOJHOMURQBQPNQ-UHFFFAOYSA-N -2 0 377.344 2.982 20 0 GFADRL COc1ccccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1N1CCCC1 ZINC000738142445 600103821 /nfs/dbraw/zinc/10/38/21/600103821.db2.gz ITPMISRQSBTUKC-UHFFFAOYSA-N -2 0 376.434 2.794 20 0 GFADRL CCn1cnnc1-c1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000737304202 600232127 /nfs/dbraw/zinc/23/21/27/600232127.db2.gz YBZWGKLEDVPVBT-UHFFFAOYSA-N -2 0 378.435 2.526 20 0 GFADRL COC(=O)CCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cc1 ZINC000737605629 600236499 /nfs/dbraw/zinc/23/64/99/600236499.db2.gz RNMYSQBOYCZCMJ-UHFFFAOYSA-N -2 0 399.371 2.569 20 0 GFADRL O=C([O-])c1sc2ccccc2c1S(=O)(=O)[N-]c1cnn(CC(F)F)c1 ZINC000740279486 600254509 /nfs/dbraw/zinc/25/45/09/600254509.db2.gz AQPSNPSFPIAOQS-UHFFFAOYSA-N -2 0 387.389 2.862 20 0 GFADRL CCCc1c(C(=O)[N-]S(=O)(=O)[C@@H](C)c2ccccc2)[nH]c(C)c1C(=O)[O-] ZINC000737042914 600352671 /nfs/dbraw/zinc/35/26/71/600352671.db2.gz FGNXMRJBTUEMAL-LBPRGKRZSA-N -2 0 378.450 2.795 20 0 GFADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)/C(=C\c1ccc(F)cc1)c1cccs1 ZINC000739695906 600466433 /nfs/dbraw/zinc/46/64/33/600466433.db2.gz USSDQYHSYAWKNW-KAMYIIQDSA-N -2 0 397.449 2.739 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)sc1C(=O)[O-] ZINC000067874396 600481769 /nfs/dbraw/zinc/48/17/69/600481769.db2.gz QIQAVBILRYTBIA-UHFFFAOYSA-N -3 0 375.811 2.907 20 0 GFADRL CCOc1cc2c(cc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1)O[C@@H](C)C2 ZINC000481952611 600625593 /nfs/dbraw/zinc/62/55/93/600625593.db2.gz AAIMDNQACNLWEJ-LBPRGKRZSA-N -2 0 391.445 2.837 20 0 GFADRL CC[C@@H](C)Sc1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c(C)c1 ZINC000828764472 600678822 /nfs/dbraw/zinc/67/88/22/600678822.db2.gz KLQMTIHQYCVMOY-GFCCVEGCSA-N -2 0 383.495 2.968 20 0 GFADRL O=C([O-])C[C@@H](NC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1)c1cccc(Cl)c1 ZINC000833198644 600814179 /nfs/dbraw/zinc/81/41/79/600814179.db2.gz FDBUFVAASSOKDE-CQSZACIVSA-N -2 0 387.779 2.629 20 0 GFADRL Cc1ccc(-n2[n-]c(C(=O)N(Cc3ccccc3)C[C@@H](C)C(=O)[O-])cc2=O)cc1 ZINC000832910157 600837849 /nfs/dbraw/zinc/83/78/49/600837849.db2.gz QDMZACPRZJBXQZ-MRXNPFEDSA-N -2 0 393.443 2.837 20 0 GFADRL CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2cccc3c2OCCO3)cc1 ZINC000265758897 600899017 /nfs/dbraw/zinc/89/90/17/600899017.db2.gz LKFFQDWTTKYJPV-UHFFFAOYSA-N -2 0 377.418 2.621 20 0 GFADRL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]c1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000610111328 600899221 /nfs/dbraw/zinc/89/92/21/600899221.db2.gz WDKLRSJQLNSVPD-UHFFFAOYSA-N -2 0 395.408 2.775 20 0 GFADRL Cc1ccc(S(=O)(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)cc1C(=O)[O-] ZINC000569413657 600899374 /nfs/dbraw/zinc/89/93/74/600899374.db2.gz QBYRVUZTGSMTQT-UHFFFAOYSA-N -2 0 377.418 2.856 20 0 GFADRL CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000829009284 600938036 /nfs/dbraw/zinc/93/80/36/600938036.db2.gz APZYKGTXVWDDDA-WOPDTQHZSA-N -2 0 389.495 2.625 20 0 GFADRL Cc1ccc(N(C)C(C)C)c(C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])c1 ZINC000832935542 600938338 /nfs/dbraw/zinc/93/83/38/600938338.db2.gz NKGSTAAKIQHPIO-UHFFFAOYSA-N -2 0 396.490 2.718 20 0 GFADRL Cc1cc(Br)c(S(=O)(=O)[N-]c2nc(CC(=O)[O-])cs2)s1 ZINC000832859425 600974795 /nfs/dbraw/zinc/97/47/95/600974795.db2.gz XTDRXBXYPZRSLZ-UHFFFAOYSA-N -2 0 397.297 2.703 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2nc3cc4c(cc3s2)OCCO4)cs1 ZINC000833306511 600977816 /nfs/dbraw/zinc/97/78/16/600977816.db2.gz ZGAQBQNDEJFNKM-UHFFFAOYSA-N -2 0 398.443 2.628 20 0 GFADRL C[C@@H](c1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1)N1CCOCC1 ZINC000827936018 600980889 /nfs/dbraw/zinc/98/08/89/600980889.db2.gz ZKKTYPIVERTOJX-LBPRGKRZSA-N -2 0 396.490 2.640 20 0 GFADRL CCc1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Br)s1 ZINC000830298739 600985229 /nfs/dbraw/zinc/98/52/29/600985229.db2.gz CKNTVGHAEHEOQN-UHFFFAOYSA-N -2 0 391.268 2.967 20 0 GFADRL COc1ccc([C@H](C)CC(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000832221262 601142202 /nfs/dbraw/zinc/14/22/02/601142202.db2.gz XPIUIZRHHWCCJD-CYBMUJFWSA-N -2 0 391.445 2.533 20 0 GFADRL C[C@H](CN(Cc1ccccc1)C(=O)CSc1n[n-]c(=S)s1)C(=O)[O-] ZINC000827449916 601198994 /nfs/dbraw/zinc/19/89/94/601198994.db2.gz QPLWIXPAKLCMRJ-SNVBAGLBSA-N -2 0 383.520 2.668 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccnn1-c1ccccc1C ZINC000831950483 601200974 /nfs/dbraw/zinc/20/09/74/601200974.db2.gz UQPVCMRVUKYMDP-UHFFFAOYSA-N -2 0 393.446 2.750 20 0 GFADRL O=C([O-])[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cc(Cl)sc2Cl)C1 ZINC000833185828 601236085 /nfs/dbraw/zinc/23/60/85/601236085.db2.gz YXFMFIRDWUMOSO-RQJHMYQMSA-N -2 0 386.278 2.751 20 0 GFADRL COC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000831247565 601324881 /nfs/dbraw/zinc/32/48/81/601324881.db2.gz CDXUPJVFUROSGL-UXBLZVDNSA-N -2 0 375.402 2.680 20 0 GFADRL COc1ccc(NC(C)=O)c([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)c1 ZINC000832408613 601326851 /nfs/dbraw/zinc/32/68/51/601326851.db2.gz XNNJKRPQGXNKIO-BJMVGYQFSA-N -2 0 390.417 2.552 20 0 GFADRL Cc1cc(F)cc(C(=O)[O-])c1NS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000832887540 601328000 /nfs/dbraw/zinc/32/80/00/601328000.db2.gz KCKVFDRJDREKOU-DAXSKMNVSA-N -2 0 379.365 2.731 20 0 GFADRL CCCN1Cc2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3OC)c2C1 ZINC000829507760 601330401 /nfs/dbraw/zinc/33/04/01/601330401.db2.gz ILCVIXKAXVNSNV-UHFFFAOYSA-N -2 0 390.461 2.920 20 0 GFADRL COC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000476381273 601332635 /nfs/dbraw/zinc/33/26/35/601332635.db2.gz RWSOKOCLZRNEEU-UHFFFAOYSA-N -2 0 399.808 2.634 20 0 GFADRL COc1ccc(S(=O)(=O)Nc2cc(C)cc(C)c2C(=O)[O-])cc1C(=O)[O-] ZINC000476410622 601334806 /nfs/dbraw/zinc/33/48/06/601334806.db2.gz MPPOAYPRIOOIMO-UHFFFAOYSA-N -2 0 379.390 2.509 20 0 GFADRL Cn1cc(S(=O)(=O)[N-]c2ccc3c(c2)nc2n3CCCCC2)cc1C(=O)[O-] ZINC000833055473 601339553 /nfs/dbraw/zinc/33/95/53/601339553.db2.gz DHUGURJPJBHHBC-UHFFFAOYSA-N -2 0 388.449 2.600 20 0 GFADRL Cn1c([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)nc2cc(F)ccc21 ZINC000833039407 601361823 /nfs/dbraw/zinc/36/18/23/601361823.db2.gz JXZMEVRAPBBXBU-RUDMXATFSA-N -2 0 375.381 2.611 20 0 GFADRL COc1ccc(-n2cc([O-])c(C(=O)Nc3ccc(N(C)C(=O)[O-])cc3)n2)cc1 ZINC000832138809 601387819 /nfs/dbraw/zinc/38/78/19/601387819.db2.gz PXVGLRSTLDQEDT-UHFFFAOYSA-N -2 0 382.376 2.953 20 0 GFADRL CC1=C(C(=O)[O-])[C@@H](c2cc(F)c(O)c(F)c2)NC(=O)N1CCCCCC(=O)[O-] ZINC000828134521 601396532 /nfs/dbraw/zinc/39/65/32/601396532.db2.gz HNUKALYJRRKCQM-OAHLLOKOSA-N -2 0 398.362 2.740 20 0 GFADRL CCCCCc1nnc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)s1 ZINC000829373465 601502256 /nfs/dbraw/zinc/50/22/56/601502256.db2.gz XGGJEKDIWINYBL-UHFFFAOYSA-N -2 0 385.467 2.778 20 0 GFADRL Cc1oc(C)c(S(=O)(=O)[N-]c2cnc(Br)cc2C)c1C(=O)[O-] ZINC000832858418 601576802 /nfs/dbraw/zinc/57/68/02/601576802.db2.gz HTNJJPYIVKZFJI-UHFFFAOYSA-N -2 0 389.227 2.861 20 0 GFADRL CC[C@H](NC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccccc1)C(=O)[O-] ZINC000828971416 601750931 /nfs/dbraw/zinc/75/09/31/601750931.db2.gz FCNOWWHSCKBKQA-AWEZNQCLSA-N -2 0 396.852 2.734 20 0 GFADRL O=C([O-])CCOc1ccc(NC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])cc1 ZINC000833238996 601757217 /nfs/dbraw/zinc/75/72/17/601757217.db2.gz LPLCLTJPEDASPR-UHFFFAOYSA-N -2 0 385.351 2.823 20 0 GFADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1nc2cc(Cl)ccc2s1 ZINC000833345499 601767909 /nfs/dbraw/zinc/76/79/09/601767909.db2.gz CQOMTNPZWLHRPR-UHFFFAOYSA-N -2 0 375.840 2.905 20 0 GFADRL Cc1nc([N-]S(=O)(=O)c2csnc2C(=O)[O-])sc1Cc1ccccc1 ZINC000833002479 601768180 /nfs/dbraw/zinc/76/81/80/601768180.db2.gz AKIUDBCPMMSEEU-UHFFFAOYSA-N -2 0 395.487 2.998 20 0 GFADRL COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(C)nc2C)c1OC ZINC000831972248 601771438 /nfs/dbraw/zinc/77/14/38/601771438.db2.gz HJEBWPPTGCPYPK-SOFGYWHQSA-N -2 0 392.433 2.614 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)ccc1C(=O)[O-] ZINC000728266443 601840155 /nfs/dbraw/zinc/84/01/55/601840155.db2.gz UHGFHVDQFQRGAR-UHFFFAOYSA-N -3 0 387.772 2.985 20 0 GFADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1cccc(C(=O)c2ccccc2)c1 ZINC000833356752 601840189 /nfs/dbraw/zinc/84/01/89/601840189.db2.gz NDEKAGFTJVBJPD-UHFFFAOYSA-N -2 0 388.426 2.873 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)n(-c2ccccn2)n1 ZINC000832899109 601843891 /nfs/dbraw/zinc/84/38/91/601843891.db2.gz DESRMZCRUFPSKG-UHFFFAOYSA-N -2 0 392.824 2.728 20 0 GFADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC000832868659 601861862 /nfs/dbraw/zinc/86/18/62/601861862.db2.gz QXXMJMIQGFNATN-UHFFFAOYSA-N -2 0 393.417 2.738 20 0 GFADRL Cc1cc(C)c(S(=O)(=O)[N-]c2nc3c(s2)CN(C(=O)[O-])CC3)c(C)c1 ZINC000740063476 601977598 /nfs/dbraw/zinc/97/75/98/601977598.db2.gz IWSKGXXIIJXTDP-UHFFFAOYSA-N -2 0 381.479 2.905 20 0 GFADRL Cc1nc(C)n(-c2ccccc2[N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])n1 ZINC000832995145 601989516 /nfs/dbraw/zinc/98/95/16/601989516.db2.gz AZIOQIKYRQXSQB-UHFFFAOYSA-N -2 0 390.421 2.593 20 0 GFADRL C[C@]1(C(=O)[O-])CCN(C(=O)c2nn(-c3ccccc3C(F)(F)F)cc2[O-])C1 ZINC000828020441 602053292 /nfs/dbraw/zinc/05/32/92/602053292.db2.gz QJGMWGJNGZKWOD-INIZCTEOSA-N -2 0 383.326 2.534 20 0 GFADRL C[C@@]1(C(=O)[O-])CCN(C(=O)c2nn(-c3ccccc3C(F)(F)F)cc2[O-])C1 ZINC000828020442 602053308 /nfs/dbraw/zinc/05/33/08/602053308.db2.gz QJGMWGJNGZKWOD-MRXNPFEDSA-N -2 0 383.326 2.534 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2nnc(-c3ccsc3)s2)ccc1F ZINC000833306416 602103727 /nfs/dbraw/zinc/10/37/27/602103727.db2.gz RFRICWJOVJDKMD-UHFFFAOYSA-N -2 0 385.423 2.905 20 0 GFADRL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1nnc(CCCC(=O)[O-])s1 ZINC000832856713 602105307 /nfs/dbraw/zinc/10/53/07/602105307.db2.gz ZQNAXLZCKPJBPJ-UHFFFAOYSA-N -2 0 399.425 2.940 20 0 GFADRL O=C([O-])c1ccc(Br)c(S(=O)(=O)[N-]c2ccc(F)cc2O)c1 ZINC000765099732 602201015 /nfs/dbraw/zinc/20/10/15/602201015.db2.gz IXHLJJPZIXYWLU-UHFFFAOYSA-N -2 0 390.186 2.793 20 0 GFADRL O=C([O-])c1cccc(CS(=O)(=O)[N-][C@@H](Cc2ccccc2)C(F)(F)F)c1 ZINC000833329692 602214792 /nfs/dbraw/zinc/21/47/92/602214792.db2.gz QYUGXINNNGDLAU-HNNXBMFYSA-N -2 0 387.379 2.978 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)CC(C)(C)O2 ZINC000469041047 602308482 /nfs/dbraw/zinc/30/84/82/602308482.db2.gz SCMQNZUHPIFPQD-UHFFFAOYSA-N -2 0 377.418 2.908 20 0 GFADRL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccccc2OCC(F)F)cc1 ZINC000474296474 602320488 /nfs/dbraw/zinc/32/04/88/602320488.db2.gz HBNVOFIACBFQEF-UHFFFAOYSA-N -2 0 387.360 2.595 20 0 GFADRL O=C([O-])Nc1cc(C(=O)[N-]S(=O)(=O)c2cccc3ncccc32)ccc1F ZINC000740699699 602566804 /nfs/dbraw/zinc/56/68/04/602566804.db2.gz UQGRADJUWHNGDT-UHFFFAOYSA-N -2 0 389.364 2.583 20 0 GFADRL Cc1cccc(S(=O)(=O)[N-]C(=O)CC[C@@H](NC(=O)[O-])c2ccccc2)c1 ZINC000740173582 602669953 /nfs/dbraw/zinc/66/99/53/602669953.db2.gz ORKRAJZCIUQUAP-MRXNPFEDSA-N -2 0 376.434 2.589 20 0 GFADRL O=C([O-])N1CCc2c(cccc2[N-]S(=O)(=O)c2cc(F)c(F)cc2F)C1 ZINC000740529178 603182485 /nfs/dbraw/zinc/18/24/85/603182485.db2.gz JRFYFIIZKMYQJR-UHFFFAOYSA-N -2 0 386.351 2.941 20 0 GFADRL O=C([O-])N1CCc2c(cccc2[N-]S(=O)(=O)c2ccc(F)c(F)c2F)C1 ZINC000740529560 603182580 /nfs/dbraw/zinc/18/25/80/603182580.db2.gz MWJDHUNQIQDNSO-UHFFFAOYSA-N -2 0 386.351 2.941 20 0 GFADRL CCC[C@H](C)CS(=O)(=O)[N-]C(=O)c1cc(Cl)c(NC(=O)[O-])cc1OC ZINC000826730087 603445031 /nfs/dbraw/zinc/44/50/31/603445031.db2.gz WMZWLAMVXUTRNF-VIFPVBQESA-N -2 0 392.861 2.934 20 0 GFADRL COc1ccccc1S(=O)(=O)[N-]C(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000829650090 603472063 /nfs/dbraw/zinc/47/20/63/603472063.db2.gz ORBQZIREUDXBIF-UHFFFAOYSA-N -2 0 384.797 2.557 20 0 GFADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CCCC[C@H]2[C@H](C)NC(=O)[O-])n1 ZINC000830068103 603533024 /nfs/dbraw/zinc/53/30/24/603533024.db2.gz HYLSTVKOZIABMC-WFASDCNBSA-N -2 0 390.415 2.676 20 0 GFADRL C[C@H]1CN(C(=O)c2cc(Br)cc(Cl)c2[O-])CCN1C(=O)[O-] ZINC000826035107 603545158 /nfs/dbraw/zinc/54/51/58/603545158.db2.gz OXVGVPMCIKIRKM-ZETCQYMHSA-N -2 0 377.622 2.632 20 0 GFADRL O=C([O-])N[C@@H]1CCCN(C(=O)c2cc(Cl)cc(Br)c2[O-])C1 ZINC000832365253 603837362 /nfs/dbraw/zinc/83/73/62/603837362.db2.gz ICRJBBZPQMTRIU-MRVPVSSYSA-N -2 0 377.622 2.680 20 0 GFADRL Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1cccc2c1CCN2C(=O)[O-] ZINC000830839317 604015461 /nfs/dbraw/zinc/01/54/61/604015461.db2.gz GHVDQWWJCCIZSS-UHFFFAOYSA-N -2 0 378.454 2.922 20 0 GFADRL Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1NC(=O)[O-] ZINC000830230438 604243585 /nfs/dbraw/zinc/24/35/85/604243585.db2.gz JODQGFPABASYMW-UHFFFAOYSA-N -2 0 386.788 2.996 20 0 GFADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CCC[C@@H]([C@H](C)NC(=O)[O-])C2)n1 ZINC000830068834 604251237 /nfs/dbraw/zinc/25/12/37/604251237.db2.gz PLJUDLUNAHGZPL-QWHCGFSZSA-N -2 0 390.415 2.534 20 0 GFADRL O=C([O-])CCc1csc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)n1 ZINC000833243517 604626113 /nfs/dbraw/zinc/62/61/13/604626113.db2.gz KFBXLYPYABISPB-UHFFFAOYSA-N -2 0 380.369 2.980 20 0 GFADRL COc1cc2nc(C)sc2cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC000833730297 604688083 /nfs/dbraw/zinc/68/80/83/604688083.db2.gz RQONFDCMVYXKLY-UHFFFAOYSA-N -2 0 379.419 2.507 20 0 GFADRL CCN(c1ccc(C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])cc1)C(C)C ZINC000833654716 604738609 /nfs/dbraw/zinc/73/86/09/604738609.db2.gz BKKRVYGPERJYLN-UHFFFAOYSA-N -2 0 396.490 2.800 20 0 GFADRL C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3nc(C4CC4)c(C(=O)[O-])s3)ccc2O1 ZINC000833633685 604759206 /nfs/dbraw/zinc/75/92/06/604759206.db2.gz YVODAVNWMGMSNF-MRVPVSSYSA-N -2 0 380.447 2.843 20 0 GFADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccn(CC(F)(F)F)n2)c1 ZINC000160240073 604792346 /nfs/dbraw/zinc/79/23/46/604792346.db2.gz RMPAHGZUSUVYOF-UHFFFAOYSA-N -2 0 383.735 2.598 20 0 GFADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)[C@@H]2CCCc3sccc32)cc1 ZINC000833315650 604939481 /nfs/dbraw/zinc/93/94/81/604939481.db2.gz YNGNUNCRQSXRGY-CQSZACIVSA-N -2 0 379.459 2.512 20 0 GFADRL CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3scc(C(=O)[O-])c3C)ccc21 ZINC000833393204 605125687 /nfs/dbraw/zinc/12/56/87/605125687.db2.gz IAYQXUHECOHPAH-UHFFFAOYSA-N -2 0 394.474 2.855 20 0 GFADRL O=C([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)NC1CC1 ZINC000833766181 605169804 /nfs/dbraw/zinc/16/98/04/605169804.db2.gz MJZXOAMPHAAVOY-UHFFFAOYSA-N -2 0 394.836 2.731 20 0 GFADRL CC(=O)N1c2ccc(S(=O)(=O)[N-]c3sccc3C(=O)[O-])cc2C[C@H]1C ZINC000833395344 605204026 /nfs/dbraw/zinc/20/40/26/605204026.db2.gz NPLPDTZMMAWIFU-SECBINFHSA-N -2 0 380.447 2.545 20 0 GFADRL COc1ccc(Nc2ncccc2[N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1 ZINC000833733453 605586565 /nfs/dbraw/zinc/58/65/65/605586565.db2.gz PVBSFXNOBHCJPX-UHFFFAOYSA-N -2 0 388.405 2.661 20 0 GFADRL O=C([O-])[C@H](CNC(=O)C1CCN(C(=O)[O-])CC1)Cc1cccc2ccccc21 ZINC000834060390 606062203 /nfs/dbraw/zinc/06/22/03/606062203.db2.gz YGKKRARVXBHUFX-KRWDZBQOSA-N -2 0 384.432 2.589 20 0 GFADRL O=C([O-])N[C@@H]1CC[C@H](C(=O)NC[C@H](Cc2cccc3ccccc32)C(=O)[O-])C1 ZINC000834170792 606062429 /nfs/dbraw/zinc/06/24/29/606062429.db2.gz QOVXFHNHRUDCCW-YESZJQIVSA-N -2 0 384.432 2.636 20 0 GFADRL O=C([O-])N[C@@H]1CC[C@H](C(=O)N[C@@H](Cc2cc(Cl)cc(Cl)c2)C(=O)[O-])C1 ZINC000834165319 606072040 /nfs/dbraw/zinc/07/20/40/606072040.db2.gz SFXUSUKJUNZXID-BIMULSAOSA-N -2 0 389.235 2.542 20 0 GFADRL O=C([O-])NCCOc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)cc1 ZINC000834244928 606081113 /nfs/dbraw/zinc/08/11/13/606081113.db2.gz GTAJQIRBFPBTNU-UHFFFAOYSA-N -2 0 390.339 2.551 20 0 GFADRL CCCNC(=O)[N-][N-]S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000070776597 654994980 /nfs/dbraw/zinc/99/49/80/654994980.db2.gz VEDYSUICEGDHFQ-UHFFFAOYSA-N -2 0 393.309 2.627 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cnc1Br ZINC000181178599 655333585 /nfs/dbraw/zinc/33/35/85/655333585.db2.gz PDSPFUJMCDLLHK-UHFFFAOYSA-N -2 0 389.202 2.791 20 0 GFADRL CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1CO ZINC000327055708 655385722 /nfs/dbraw/zinc/38/57/22/655385722.db2.gz YUJKMELXFNPJTM-UHFFFAOYSA-N -2 0 385.825 2.730 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)c1Cl ZINC000754757795 655872511 /nfs/dbraw/zinc/87/25/11/655872511.db2.gz CRDJRDYHZLDKAT-UHFFFAOYSA-N -3 0 387.772 2.985 20 0 GFADRL Cc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc(C(=O)[O-])c1Cl ZINC000759114117 655947974 /nfs/dbraw/zinc/94/79/74/655947974.db2.gz LXJZBULQTWTBFM-UHFFFAOYSA-N -2 0 387.772 2.985 20 0 GFADRL Cn1c(Cl)ncc1S(=O)(=O)[N-]c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000765095166 656131446 /nfs/dbraw/zinc/13/14/46/656131446.db2.gz KFMPWNCZZPSFDQ-UHFFFAOYSA-N -2 0 384.628 2.879 20 0 GFADRL O=C([O-])c1ccc(Br)c(S(=O)(=O)[N-]c2cnn(C(F)F)c2)c1 ZINC000766374273 656169871 /nfs/dbraw/zinc/16/98/71/656169871.db2.gz AJQFUEVNBVICNX-UHFFFAOYSA-N -2 0 396.169 2.540 20 0 GFADRL COC(=O)c1csc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c1C ZINC000776281983 656726781 /nfs/dbraw/zinc/72/67/81/656726781.db2.gz NKGJCZRVXTVTTE-UHFFFAOYSA-N -2 0 389.838 2.996 20 0 GFADRL CCCn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)c(Cl)c2F)cn1 ZINC000779839632 656948081 /nfs/dbraw/zinc/94/80/81/656948081.db2.gz NCXHECZPFPISSC-UHFFFAOYSA-N -2 0 379.772 2.724 20 0 GFADRL COC(=O)c1scc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000780404185 657003994 /nfs/dbraw/zinc/00/39/94/657003994.db2.gz CPFLNSNXFGBEHQ-UHFFFAOYSA-N -2 0 389.838 2.996 20 0 GFADRL CO[C@H]1Cc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3Cl)cc2C1 ZINC000783864382 657266704 /nfs/dbraw/zinc/26/67/04/657266704.db2.gz VYNXWMSKKUUUCO-AWEZNQCLSA-N -2 0 381.837 2.953 20 0 GFADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000863958336 662351185 /nfs/dbraw/zinc/35/11/85/662351185.db2.gz VEPHRAOIFOSBRS-JGVFFNPUSA-N -2 0 399.774 2.665 20 0 GFADRL Cc1cc(S(=O)(=O)N[C@H](CC(=O)[O-])c2cccc(C)c2)sc1C(=O)[O-] ZINC000917736267 664489642 /nfs/dbraw/zinc/48/96/42/664489642.db2.gz FCFOASNWGYYAIM-GFCCVEGCSA-N -2 0 383.447 2.557 20 0 GFADRL O=C([O-])C[C@@H](NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1)c1ccccc1 ZINC000921206153 664539079 /nfs/dbraw/zinc/53/90/79/664539079.db2.gz VTUJCPXXNSWDQX-CQSZACIVSA-N -2 0 383.809 2.533 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccn(CC(F)(F)F)n2)c1C ZINC000160229433 551577724 /nfs/dbraw/zinc/57/77/24/551577724.db2.gz AKTNVPFZMUFTKK-UHFFFAOYSA-N -2 0 377.344 2.561 20 0 GFADRL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)C[C@@H](CC(C)C)OC ZINC000421161926 563299190 /nfs/dbraw/zinc/29/91/90/563299190.db2.gz YKZFJDQCRBBKSV-LLVKDONJSA-N -2 0 377.434 2.725 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C)C(=O)N3)sc1C(=O)[O-] ZINC000375405296 563403287 /nfs/dbraw/zinc/40/32/87/563403287.db2.gz SBTFOQILXKCNEK-UHFFFAOYSA-N -2 0 381.435 2.533 20 0 GFADRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(N(C)C)cc1 ZINC000432773549 563593136 /nfs/dbraw/zinc/59/31/36/563593136.db2.gz HMMJFJJNWNYELF-UHFFFAOYSA-N -2 0 384.841 2.914 20 0 GFADRL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1cnn(C)c1C(F)(F)F ZINC000436169475 563666489 /nfs/dbraw/zinc/66/64/89/563666489.db2.gz ZYLVORURFQKIOS-UHFFFAOYSA-N -2 0 397.762 2.900 20 0 GFADRL O=C([O-])c1ccc([O-])c(S(=O)(=O)Nc2ccc(F)cc2Br)c1 ZINC000436892497 563684393 /nfs/dbraw/zinc/68/43/93/563684393.db2.gz JYJNFJPDTZNIBC-UHFFFAOYSA-N -2 0 390.186 2.793 20 0 GFADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000438787986 563710146 /nfs/dbraw/zinc/71/01/46/563710146.db2.gz XLIGRVLPGXOKJD-UHFFFAOYSA-N -3 0 385.394 2.745 20 0 GFADRL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(CC(F)F)c1 ZINC000476423711 564338892 /nfs/dbraw/zinc/33/88/92/564338892.db2.gz OXGRYGJHBBDKQN-UHFFFAOYSA-N -2 0 379.772 2.609 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(N)=O)c(C)c1C(=O)[O-] ZINC000512728155 564409444 /nfs/dbraw/zinc/40/94/44/564409444.db2.gz DEMLTSIKQIHBCO-UHFFFAOYSA-N -2 0 382.825 2.555 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc3c2CCO3)c(Br)c1 ZINC000478704345 564412157 /nfs/dbraw/zinc/41/21/57/564412157.db2.gz OTFXXTTXUVPFBH-UHFFFAOYSA-N -2 0 398.234 2.883 20 0 GFADRL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1cccc2c1OCCO2 ZINC000479408253 564439086 /nfs/dbraw/zinc/43/90/86/564439086.db2.gz NDLPKRSGLWEDDC-UHFFFAOYSA-N -2 0 383.809 2.919 20 0 GFADRL CC(C)n1cnc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000513815306 564440058 /nfs/dbraw/zinc/44/00/58/564440058.db2.gz RDCXAGFSZHITQA-UHFFFAOYSA-N -2 0 377.344 2.982 20 0 GFADRL Cc1csc(S(=O)(=O)N[C@H]2CCCN(c3ccc(C(=O)[O-])cc3)C2)c1 ZINC000569082190 564448156 /nfs/dbraw/zinc/44/81/56/564448156.db2.gz NXEAKEICUZXDNK-AWEZNQCLSA-N -2 0 380.491 2.702 20 0 GFADRL Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000548209737 564536973 /nfs/dbraw/zinc/53/69/73/564536973.db2.gz OMWZDAOFVWOUDO-UHFFFAOYSA-N -2 0 389.202 2.791 20 0 GFADRL O=C([O-])c1cc(F)cc([N-]S(=O)(=O)c2ccc(Br)cn2)c1F ZINC000548544067 564558191 /nfs/dbraw/zinc/55/81/91/564558191.db2.gz RBKQZWKZSAQRHA-UHFFFAOYSA-N -2 0 393.165 2.621 20 0 GFADRL COc1cc(C)c([N-]S(=O)(=O)c2ccc(F)c(F)c2F)c(C(=O)[O-])c1 ZINC000548593278 564565830 /nfs/dbraw/zinc/56/58/30/564565830.db2.gz ZMNQEGUUFRCKTK-UHFFFAOYSA-N -2 0 375.324 2.920 20 0 GFADRL Cc1ccc([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)c(C(=O)[O-])c1 ZINC000484496801 564589203 /nfs/dbraw/zinc/58/92/03/564589203.db2.gz AYBMYYVUMDCVIL-UHFFFAOYSA-N -2 0 382.781 2.582 20 0 GFADRL Cc1cccc([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)c1C(=O)[O-] ZINC000484521662 564590233 /nfs/dbraw/zinc/59/02/33/564590233.db2.gz CUVXBWGQGMDLGV-UHFFFAOYSA-N -2 0 382.781 2.582 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)ccc1C(=O)[O-] ZINC000484774920 564598386 /nfs/dbraw/zinc/59/83/86/564598386.db2.gz IJFFYPYIORMILI-UHFFFAOYSA-N -2 0 382.781 2.582 20 0 GFADRL CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000489733319 564751097 /nfs/dbraw/zinc/75/10/97/564751097.db2.gz ZWENTBHYAWJHLQ-UHFFFAOYSA-N -2 0 385.394 2.745 20 0 GFADRL COc1cc(OC)c([N-]S(=O)(=O)c2cccc(SC)c2)c(C(=O)[O-])c1 ZINC000554618206 564768423 /nfs/dbraw/zinc/76/84/23/564768423.db2.gz PACFZHGMHQAUEF-UHFFFAOYSA-N -2 0 383.447 2.925 20 0 GFADRL COC(=O)c1csc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000531600194 564915220 /nfs/dbraw/zinc/91/52/20/564915220.db2.gz MYWUGIROPRBZJL-UHFFFAOYSA-N -2 0 375.811 2.687 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2O)cc1Br ZINC000468824234 564995390 /nfs/dbraw/zinc/99/53/90/564995390.db2.gz FJFCWHWBKBAZEK-UHFFFAOYSA-N -2 0 390.186 2.793 20 0 GFADRL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000588623263 565134853 /nfs/dbraw/zinc/13/48/53/565134853.db2.gz JHUHHRAEYMXGEC-UHFFFAOYSA-N -2 0 387.772 2.749 20 0 GFADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(NC(=O)C2CC2)c1 ZINC000591679487 565236265 /nfs/dbraw/zinc/23/62/65/565236265.db2.gz PEBKPNXTPPEIQC-UHFFFAOYSA-N -2 0 380.447 2.904 20 0 GFADRL CC(C)NC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000736476316 599737381 /nfs/dbraw/zinc/73/73/81/599737381.db2.gz HKEIHERWDAEKKU-UHFFFAOYSA-N -2 0 386.813 2.570 20 0 GFADRL C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)cc2F)C[C@@H](C)O1 ZINC000736823131 599737724 /nfs/dbraw/zinc/73/77/24/599737724.db2.gz GYWPZBRQUFNJJS-GHMZBOCLSA-N -2 0 398.412 2.531 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccoc3)c2)o1 ZINC000739485049 599739841 /nfs/dbraw/zinc/73/98/41/599739841.db2.gz JBFOEZBUBGKHFT-UHFFFAOYSA-N -2 0 376.346 2.624 20 0 GFADRL CCn1c(=O)c2ccc(C(=O)Nc3ccc(OC)cc3C(=O)[O-])cc2[n-]c1=S ZINC000737295676 599753967 /nfs/dbraw/zinc/75/39/67/599753967.db2.gz MDLQKUKZLBKHHO-UHFFFAOYSA-N -2 0 399.428 2.664 20 0 GFADRL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000737717313 599814172 /nfs/dbraw/zinc/81/41/72/599814172.db2.gz KYQYGTZXMFPHTK-UHFFFAOYSA-N -2 0 375.811 2.687 20 0 GFADRL C[C@H](Sc1ccccc1C(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1)C(=O)[O-] ZINC000736717081 600002564 /nfs/dbraw/zinc/00/25/64/600002564.db2.gz OACZZAFRWFKROH-JTQLQIEISA-N -2 0 385.401 2.847 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])n(-c2ccc(F)cc2)n1 ZINC000738463157 600053687 /nfs/dbraw/zinc/05/36/87/600053687.db2.gz AJGJZJBNDRABGE-UHFFFAOYSA-N -2 0 393.371 2.958 20 0 GFADRL O=C([O-])Nc1cccc(C(=O)[N-]S(=O)(=O)c2ccccc2C(F)(F)F)c1 ZINC000740033779 600056615 /nfs/dbraw/zinc/05/66/15/600056615.db2.gz NIRINQUSFHLAGM-UHFFFAOYSA-N -2 0 388.323 2.914 20 0 GFADRL Cc1cc(C(=O)[O-])c2sc([N-]S(=O)(=O)c3cc(F)ccc3F)nc2n1 ZINC000738346342 600102563 /nfs/dbraw/zinc/10/25/63/600102563.db2.gz QMCVSILSOCEZHQ-UHFFFAOYSA-N -2 0 385.373 2.777 20 0 GFADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)s1 ZINC000740114428 600122599 /nfs/dbraw/zinc/12/25/99/600122599.db2.gz GAEPZSGHIWSHIC-UHFFFAOYSA-N -2 0 397.327 2.723 20 0 GFADRL Cc1oc(C)c(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2C)c1C(=O)[O-] ZINC000738968875 600254896 /nfs/dbraw/zinc/25/48/96/600254896.db2.gz FSCMAEJPZGHQCI-DEOSSOPVSA-N -2 0 385.463 2.582 20 0 GFADRL C[C@@H](CSc1ccccc1)C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000736618807 600421456 /nfs/dbraw/zinc/42/14/56/600421456.db2.gz UKLLTRSMRYUROG-LBPRGKRZSA-N -2 0 379.459 2.618 20 0 GFADRL Cc1noc2ncc(S(=O)(=O)[N-]c3ccc(OCCCC(=O)[O-])cc3)cc12 ZINC000738955024 600488121 /nfs/dbraw/zinc/48/81/21/600488121.db2.gz GXPULDBBTXJJPK-UHFFFAOYSA-N -2 0 391.405 2.576 20 0 GFADRL CC(=O)Nc1nc(C)c(S(=O)(=O)[N-]c2cc(Cl)cc(C(=O)[O-])c2)s1 ZINC000736169880 600637820 /nfs/dbraw/zinc/63/78/20/600637820.db2.gz ZZTQARZIFDQQNS-UHFFFAOYSA-N -2 0 389.842 2.562 20 0 GFADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000739337842 600657667 /nfs/dbraw/zinc/65/76/67/600657667.db2.gz GJDPDZJAUWJKBO-UHFFFAOYSA-N -2 0 398.849 2.629 20 0 GFADRL Cc1cc(C(=O)NCC(C)C)ccc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000299486990 600678199 /nfs/dbraw/zinc/67/81/99/600678199.db2.gz BSNIFMSTFLWIEU-UHFFFAOYSA-N -2 0 396.490 2.941 20 0 GFADRL Cc1cc(S(=O)(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)ccc1C(=O)[O-] ZINC000507982221 600683803 /nfs/dbraw/zinc/68/38/03/600683803.db2.gz FOGWSBHTCBVRPG-UHFFFAOYSA-N -2 0 377.418 2.856 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2O)s1 ZINC000833323353 600684880 /nfs/dbraw/zinc/68/48/80/600684880.db2.gz FPOSDJMQXVCTFF-UHFFFAOYSA-N -2 0 378.225 2.715 20 0 GFADRL CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c(O)c1 ZINC000489737671 600694037 /nfs/dbraw/zinc/69/40/37/600694037.db2.gz CQWSYRMNFJDMQX-UHFFFAOYSA-N -2 0 399.808 2.721 20 0 GFADRL COC(=O)c1sc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)cc1C ZINC000737718835 600888055 /nfs/dbraw/zinc/88/80/55/600888055.db2.gz JJEVJFLTNVVUTA-UHFFFAOYSA-N -2 0 389.838 2.996 20 0 GFADRL COCCOc1ccccc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000737821038 600890667 /nfs/dbraw/zinc/89/06/67/600890667.db2.gz MFYAWWNTBRRPOM-UHFFFAOYSA-N -2 0 385.825 2.864 20 0 GFADRL C[C@H](CCc1ccccc1F)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000827428424 600941081 /nfs/dbraw/zinc/94/10/81/600941081.db2.gz WBGXTVVYGMJUHQ-SNVBAGLBSA-N -2 0 385.438 2.659 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ncc(Cc3ccc(F)cc3)s2)c[nH]1 ZINC000833306086 600977275 /nfs/dbraw/zinc/97/72/75/600977275.db2.gz CJAQZENFYWEPGQ-UHFFFAOYSA-N -2 0 381.410 2.700 20 0 GFADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccccc3)nc2)c1 ZINC000833334941 600984633 /nfs/dbraw/zinc/98/46/33/600984633.db2.gz VDFLTLOYNXPMEZ-UHFFFAOYSA-N -2 0 397.412 2.833 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cc(CC(C)(C)C)nn1C ZINC000831945994 601201091 /nfs/dbraw/zinc/20/10/91/601201091.db2.gz OHEOZDJMQHBEKO-UHFFFAOYSA-N -2 0 387.483 2.578 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc(OC(F)F)c(F)c1 ZINC000831946272 601203171 /nfs/dbraw/zinc/20/31/71/601203171.db2.gz QVOQFAPGEWQEGD-UHFFFAOYSA-N -2 0 397.352 2.996 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000831946648 601204133 /nfs/dbraw/zinc/20/41/33/601204133.db2.gz VUZVHHLRQWYVBC-UHFFFAOYSA-N -3 0 399.446 2.618 20 0 GFADRL O=C([O-])CCCOc1ccc(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cc1 ZINC000833228003 601225008 /nfs/dbraw/zinc/22/50/08/601225008.db2.gz XCMZTJPLORSWLX-UHFFFAOYSA-N -2 0 397.380 2.568 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2ccnn2Cc2cccc(C)c2)cc1C(=O)[O-] ZINC000832969764 601229358 /nfs/dbraw/zinc/22/93/58/601229358.db2.gz OPMCMWIREHFMEK-UHFFFAOYSA-N -2 0 375.406 2.640 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC(C)C)oc1C ZINC000484958280 601232653 /nfs/dbraw/zinc/23/26/53/601232653.db2.gz ICIQJCSOXYJZDD-UHFFFAOYSA-N -2 0 397.405 2.661 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2ccc(C)cc2OC[C@H]2CCCO2)cc1C(=O)[O-] ZINC000832952858 601232992 /nfs/dbraw/zinc/23/29/92/601232992.db2.gz GTTMYWXNVUQMPO-CYBMUJFWSA-N -2 0 395.433 2.953 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2cc(C[S@@](C)=O)ccc2Cl)cc1C(=O)[O-] ZINC000833027871 601233926 /nfs/dbraw/zinc/23/39/26/601233926.db2.gz ZFSQKRZVSRTLIQ-HSZRJFAPSA-N -2 0 391.854 2.619 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)NC(C)C)c2)cc1C(=O)[O-] ZINC000832952975 601234008 /nfs/dbraw/zinc/23/40/08/601234008.db2.gz PGLYBQDZPYBFOD-UHFFFAOYSA-N -2 0 380.422 2.534 20 0 GFADRL COc1ncccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000390340103 601324332 /nfs/dbraw/zinc/32/43/32/601324332.db2.gz VSLRQWPNTMLMII-UHFFFAOYSA-N -2 0 377.205 2.896 20 0 GFADRL O=C([O-])c1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc2c(c1)OC(F)(F)O2 ZINC000833345328 601385011 /nfs/dbraw/zinc/38/50/11/601385011.db2.gz VHDRIZCWMNRTMH-UHFFFAOYSA-N -2 0 392.723 2.556 20 0 GFADRL COc1ccccc1-c1cc([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])n[nH]1 ZINC000832577840 601604832 /nfs/dbraw/zinc/60/48/32/601604832.db2.gz QVDDOWROVMVELI-UHFFFAOYSA-N -2 0 387.417 2.893 20 0 GFADRL Cc1cc(Br)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)c2)s1 ZINC000832858275 601784897 /nfs/dbraw/zinc/78/48/97/601784897.db2.gz LTEYVFHVFHKUBH-UHFFFAOYSA-N -2 0 379.257 2.657 20 0 GFADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CCC(CCC(=O)[O-])CC2)n1 ZINC000659775560 601815558 /nfs/dbraw/zinc/81/55/58/601815558.db2.gz XPYGDRLWTXNARM-UHFFFAOYSA-N -2 0 375.400 2.742 20 0 GFADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ccc(Oc2ccccc2)nc1 ZINC000833346651 601836945 /nfs/dbraw/zinc/83/69/45/601836945.db2.gz UIJZVYBDQGWXBC-UHFFFAOYSA-N -2 0 377.403 2.829 20 0 GFADRL Cc1cc(Br)ncc1[N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000832858834 601848020 /nfs/dbraw/zinc/84/80/20/601848020.db2.gz HOAYCCLWTWWMGQ-UHFFFAOYSA-N -2 0 389.202 2.791 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2ccccc2O[C@H]2CCOC2)cc1C(=O)[O-] ZINC000268309987 601853880 /nfs/dbraw/zinc/85/38/80/601853880.db2.gz JMPZYAIDTJPWSS-ZDUSSCGKSA-N -2 0 377.418 2.662 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2ccccc2O[C@@H]2CCOC2)ccc1C(=O)[O-] ZINC000285097504 601854982 /nfs/dbraw/zinc/85/49/82/601854982.db2.gz LSNQDWTZUHQMEI-CYBMUJFWSA-N -2 0 377.418 2.662 20 0 GFADRL O=C([O-])N1CCc2nc([N-]S(=O)(=O)c3ccc(F)cc3Cl)sc2C1 ZINC000740530035 601977231 /nfs/dbraw/zinc/97/72/31/601977231.db2.gz JSNGHHXJLCPGKH-UHFFFAOYSA-N -2 0 391.833 2.773 20 0 GFADRL COC(=O)c1csc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000760364492 602115202 /nfs/dbraw/zinc/11/52/02/602115202.db2.gz BCTPOKHDHQMURM-UHFFFAOYSA-N -2 0 375.811 2.687 20 0 GFADRL COc1cc(OC)c(OC)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000507985302 602202878 /nfs/dbraw/zinc/20/28/78/602202878.db2.gz NRFMOWSTYLAWLV-UHFFFAOYSA-N -2 0 381.406 2.520 20 0 GFADRL O=C([O-])Nc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(F)c3ncccc23)cc1 ZINC000740015658 602214409 /nfs/dbraw/zinc/21/44/09/602214409.db2.gz OZYSNUOCWHKWPV-UHFFFAOYSA-N -2 0 389.364 2.583 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1-n1ccc(C)n1 ZINC000378118128 602308510 /nfs/dbraw/zinc/30/85/10/602308510.db2.gz ZRAIXLVZOLGIFG-UHFFFAOYSA-N -2 0 387.417 2.688 20 0 GFADRL COC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1F ZINC000761907078 602321139 /nfs/dbraw/zinc/32/11/39/602321139.db2.gz LMQQOYROCSZXFV-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL CCOc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[O-])cc2)cc1C(=O)[O-] ZINC000737210092 602644705 /nfs/dbraw/zinc/64/47/05/602644705.db2.gz IZWZDSVIENLEGK-UHFFFAOYSA-N -2 0 380.378 2.674 20 0 GFADRL CCn1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2NC(=O)[O-])cn1 ZINC000739569686 602652232 /nfs/dbraw/zinc/65/22/32/602652232.db2.gz GNTOCWQIGRPPFC-UHFFFAOYSA-N -2 0 378.332 2.813 20 0 GFADRL C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000739057435 602778954 /nfs/dbraw/zinc/77/89/54/602778954.db2.gz IFAIRRUOCKEARN-WMLDXEAASA-N -2 0 390.461 2.983 20 0 GFADRL O=C([O-])NC[C@@H]1CCCN(C(=O)c2cc(Br)cc(Cl)c2[O-])C1 ZINC000740623630 603148750 /nfs/dbraw/zinc/14/87/50/603148750.db2.gz HWKJNHYFCKULOX-QMMMGPOBSA-N -2 0 391.649 2.928 20 0 GFADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc([C@H](C)NC(=O)[O-])cc2)s1 ZINC000828788561 603403153 /nfs/dbraw/zinc/40/31/53/603403153.db2.gz HWCRQCXCYNXPGC-VIFPVBQESA-N -2 0 384.435 2.664 20 0 GFADRL Cc1ccc(-n2[n-]c(C(=O)Nc3ccc4c(c3)CN(C(=O)[O-])CC4)cc2=O)cc1 ZINC000830166389 603784262 /nfs/dbraw/zinc/78/42/62/603784262.db2.gz YLLHTNPVIDGYQL-UHFFFAOYSA-N -2 0 392.415 2.762 20 0 GFADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CCC(N(C)C(=O)[O-])CC3)n2)c1 ZINC000824470150 603839148 /nfs/dbraw/zinc/83/91/48/603839148.db2.gz MKXIPRRPJUOPSP-UHFFFAOYSA-N -2 0 386.452 2.916 20 0 GFADRL CCc1ccccc1-n1cc([O-])c(C(=O)N2CCC[C@@H]([C@@H](C)NC(=O)[O-])C2)n1 ZINC000827599271 604298090 /nfs/dbraw/zinc/29/80/90/604298090.db2.gz GPAJJFKUOFAEOR-UKRRQHHQSA-N -2 0 386.452 2.649 20 0 GFADRL Cc1ccc(NS(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)cc1C(=O)[O-] ZINC000767736306 604632009 /nfs/dbraw/zinc/63/20/09/604632009.db2.gz IOABWKVBSXLHDB-UHFFFAOYSA-N -2 0 387.772 2.985 20 0 GFADRL C[C@@H](CSCc1ccccc1)C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000827581976 604812930 /nfs/dbraw/zinc/81/29/30/604812930.db2.gz VXCICICEYLYACY-NSHDSACASA-N -2 0 399.515 2.821 20 0 GFADRL C[C@H](CSCc1ccccc1)C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000827581538 604815864 /nfs/dbraw/zinc/81/58/64/604815864.db2.gz NGLFGINDWJMSIG-CYBMUJFWSA-N -2 0 393.486 2.759 20 0 GFADRL CCn1c(=O)c2ccc(C(=O)N(C)C3(C(=O)[O-])CCCCC3)cc2[n-]c1=S ZINC000833683684 604874449 /nfs/dbraw/zinc/87/44/49/604874449.db2.gz LHOXOFNRGIPZOS-UHFFFAOYSA-N -2 0 389.477 2.565 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc3oc(C(F)(F)F)nc32)o1 ZINC000833324528 604890208 /nfs/dbraw/zinc/89/02/08/604890208.db2.gz ULQDURJVRYNMBE-UHFFFAOYSA-N -2 0 376.268 2.939 20 0 GFADRL O=C([O-])Cc1ccc(NC(=O)C(=O)[N-]OCc2ccc(C(F)(F)F)cc2)cc1 ZINC000833775971 604912703 /nfs/dbraw/zinc/91/27/03/604912703.db2.gz NIXVQXHGYZOFJL-UHFFFAOYSA-N -2 0 396.321 2.519 20 0 GFADRL CC(C)(C)OCc1ccccc1C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000833445868 605021062 /nfs/dbraw/zinc/02/10/62/605021062.db2.gz RHGJJGYJLOCMNX-UHFFFAOYSA-N -2 0 391.445 2.819 20 0 GFADRL C/C(=C/C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1)c1ccccc1 ZINC000833381918 605118085 /nfs/dbraw/zinc/11/80/85/605118085.db2.gz KGAHQKANQFTACK-LUAWRHEFSA-N -2 0 379.821 2.947 20 0 GFADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CC[C@@H](NC(=O)[O-])C[C@@H]3C)n2)cc1 ZINC000824464884 605363092 /nfs/dbraw/zinc/36/30/92/605363092.db2.gz WZOTYCFYJQGQNF-DZGCQCFKSA-N -2 0 386.452 2.962 20 0 GFADRL CC[C@@](C)(NC(=O)c1cc(Br)c([O-])c(Br)c1)C(=O)[O-] ZINC000833638191 605753594 /nfs/dbraw/zinc/75/35/94/605753594.db2.gz PSGSDXHIBYZLKD-GFCCVEGCSA-N -2 0 395.047 2.900 20 0 GFADRL O=C([O-])N1CCC2(CCN(C(=O)c3cccc(Br)c3[O-])C2)CC1 ZINC000834091108 605910369 /nfs/dbraw/zinc/91/03/69/605910369.db2.gz DATLKTIJGZFBRT-UHFFFAOYSA-N -2 0 383.242 2.761 20 0 GFADRL O=C([O-])NCCCCC(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000834234395 605919240 /nfs/dbraw/zinc/91/92/40/605919240.db2.gz DPIQLEFELMYLJZ-UHFFFAOYSA-N -2 0 391.449 2.864 20 0 GFADRL Cc1ncc(S(=O)(=O)[N-]c2cc(C)cc(C[N-]C(=O)C(F)(F)F)c2)s1 ZINC000830167699 660639792 /nfs/dbraw/zinc/63/97/92/660639792.db2.gz WRCSXGYRLMMQCZ-UHFFFAOYSA-N -2 0 393.412 2.739 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)sc1C(=O)[O-] ZINC000042796563 654645133 /nfs/dbraw/zinc/64/51/33/654645133.db2.gz DVFZMVMLJNVSAA-UHFFFAOYSA-N -3 0 375.811 2.907 20 0 GFADRL Cn1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(F)(F)F)c2)nc1Cl ZINC000120317199 655335114 /nfs/dbraw/zinc/33/51/14/655335114.db2.gz VVXSIYGEZJPFFR-UHFFFAOYSA-N -2 0 383.735 2.591 20 0 GFADRL CC(C)n1ccc([N-]S(=O)(=O)c2ccc(Br)c(C(=O)[O-])c2)n1 ZINC000319157570 655381611 /nfs/dbraw/zinc/38/16/11/655381611.db2.gz KCQBOXXOZOHKNO-UHFFFAOYSA-N -2 0 388.243 2.726 20 0 GFADRL Cn1cnc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)c(C(=O)[O-])c2)c1Cl ZINC000748673560 655793724 /nfs/dbraw/zinc/79/37/24/655793724.db2.gz BXCPTNFBXZMRPJ-UHFFFAOYSA-N -2 0 384.628 2.879 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc(C[S@@](C)=O)c2)c1F ZINC000749145057 655801003 /nfs/dbraw/zinc/80/10/03/655801003.db2.gz ICVSPUHEYYFLKX-XMMPIXPASA-N -2 0 385.438 2.512 20 0 GFADRL CNC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Cl)cc1 ZINC000753771321 655858226 /nfs/dbraw/zinc/85/82/26/655858226.db2.gz VGEWYECYAZOUNI-UHFFFAOYSA-N -2 0 382.825 2.507 20 0 GFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)c(Cl)c2F)cc1 ZINC000779825413 656946060 /nfs/dbraw/zinc/94/60/60/656946060.db2.gz RWEBBRLTBXKYBB-UHFFFAOYSA-N -3 0 391.735 2.815 20 0 GFADRL COc1cc(O)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)c(Cl)c2F)c1 ZINC000779847043 656949429 /nfs/dbraw/zinc/94/94/29/656949429.db2.gz RIKHSZJOJQEJOI-UHFFFAOYSA-N -2 0 393.751 2.831 20 0 GFADRL COC(=O)c1scc(C)c1[N-]S(=O)(=O)c1cc(C)c(F)c(C(=O)[O-])c1 ZINC000780404192 657004027 /nfs/dbraw/zinc/00/40/27/657004027.db2.gz CXSYXSPQVHWSHI-UHFFFAOYSA-N -2 0 387.410 2.790 20 0 GFADRL COC(=O)c1scc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC000780405567 657004035 /nfs/dbraw/zinc/00/40/35/657004035.db2.gz PMHRUACIKWCXGK-UHFFFAOYSA-N -2 0 387.410 2.790 20 0 GFADRL COC(=O)c1sc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)c(C)c1Cl ZINC000788439357 657717233 /nfs/dbraw/zinc/71/72/33/657717233.db2.gz RUXBCDRVYRLNFX-UHFFFAOYSA-N -2 0 389.838 2.996 20 0 GFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2cccc3n[nH]cc32)cc1C(=O)[O-] ZINC000790394814 657968057 /nfs/dbraw/zinc/96/80/57/657968057.db2.gz WWFOEFUCHMBWCP-UHFFFAOYSA-N -2 0 381.797 2.724 20 0 GFADRL C[C@@H](O)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)ccc1F ZINC000795387716 658813377 /nfs/dbraw/zinc/81/33/77/658813377.db2.gz LUESIILIEOTNBD-SSDOTTSWSA-N -2 0 375.324 2.656 20 0 GFADRL CCc1oncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Br ZINC000800844259 659338900 /nfs/dbraw/zinc/33/89/00/659338900.db2.gz RHKZCNSMYQPYGC-UHFFFAOYSA-N -2 0 393.190 2.638 20 0 GFADRL C[C@@H]1CCN(C(=O)c2cc(F)c([O-])c(Cl)c2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000856417301 662032795 /nfs/dbraw/zinc/03/27/95/662032795.db2.gz OXGUJAUEPRHAIF-HQJQHLMTSA-N -2 0 382.741 2.714 20 0 GFADRL C[C@@H](c1ccc(Cl)cc1Cl)S(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CCC1 ZINC000863956707 662350957 /nfs/dbraw/zinc/35/09/57/662350957.db2.gz FLCPHZNVVJTBQM-QMMMGPOBSA-N -2 0 380.249 2.755 20 0 GFADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)C1 ZINC000863955144 662350970 /nfs/dbraw/zinc/35/09/70/662350970.db2.gz BBTLEQQZPOPIAY-JGVFFNPUSA-N -2 0 399.774 2.665 20 0 GFADRL CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cc(C)c(Br)s1 ZINC000863956241 662351030 /nfs/dbraw/zinc/35/10/30/662351030.db2.gz GRLKYIVZZPOOAX-UHFFFAOYSA-N -2 0 398.300 2.515 20 0 GFADRL CC1(C)C[C@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000863958334 662351245 /nfs/dbraw/zinc/35/12/45/662351245.db2.gz VDDQBMTYHRNBGD-CYBMUJFWSA-N -2 0 399.774 2.665 20 0 GFADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cccc(SC(F)(F)F)c1 ZINC000910182121 664198305 /nfs/dbraw/zinc/19/83/05/664198305.db2.gz IEIPJLTUTRQBOB-GXSJLCMTSA-N -2 0 377.340 2.689 20 0 GFADRL CS(=O)(=O)[N-]c1cc(F)ccc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000179765174 552202621 /nfs/dbraw/zinc/20/26/21/552202621.db2.gz WLFQXMUIHOJRKK-UHFFFAOYSA-N -2 0 378.834 2.651 20 0 GFADRL Cn1cc(S(=O)(=O)[N-]c2cc(F)c(Br)c(F)c2)cc1C(=O)[O-] ZINC000180657231 552232586 /nfs/dbraw/zinc/23/25/86/552232586.db2.gz OEOJVBPJUZZIET-UHFFFAOYSA-N -2 0 395.181 2.565 20 0 GFADRL O=C([O-])C[C@H](CC[N-]S(=O)(=O)c1cc(Cl)ccc1F)C(F)(F)F ZINC000567739906 564386173 /nfs/dbraw/zinc/38/61/73/564386173.db2.gz GAGQVQPUWLQJTJ-ZETCQYMHSA-N -2 0 377.743 2.801 20 0 GFADRL CC(=O)N(c1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1)C1CC1 ZINC000295267830 563239916 /nfs/dbraw/zinc/23/99/16/563239916.db2.gz YWQAXHFFPDMMGR-UHFFFAOYSA-N -2 0 380.447 2.762 20 0 GFADRL COCn1nc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(Cl)cc2C)c1C ZINC000424070791 563369537 /nfs/dbraw/zinc/36/95/37/563369537.db2.gz SUIWQBJXZJTIMI-UHFFFAOYSA-N -2 0 387.845 2.565 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2)cc1C(=O)[O-] ZINC000327022765 563456617 /nfs/dbraw/zinc/45/66/17/563456617.db2.gz JAPFQYHTZZKEJY-UHFFFAOYSA-N -2 0 376.312 2.608 20 0 GFADRL COC(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000327832665 563459915 /nfs/dbraw/zinc/45/99/15/563459915.db2.gz NCWNMJVUWLGMBL-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL Cc1nc(-c2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])n(C)c3)c2)cs1 ZINC000392659284 563527262 /nfs/dbraw/zinc/52/72/62/563527262.db2.gz ZMXWETSPEMXAFH-UHFFFAOYSA-N -2 0 377.447 2.956 20 0 GFADRL O=C([O-])c1ccc(O)c(S(=O)(=O)[N-]c2ccccc2OC(F)(F)F)c1 ZINC000436892488 563684305 /nfs/dbraw/zinc/68/43/05/563684305.db2.gz JVYZAMPTNWFISL-UHFFFAOYSA-N -2 0 377.296 2.790 20 0 GFADRL O=C([O-])c1ccc(O)c(S(=O)(=O)[N-]c2cccc(OC(F)(F)F)c2)c1 ZINC000436892453 563684376 /nfs/dbraw/zinc/68/43/76/563684376.db2.gz JJQVCUKZFBKIGC-UHFFFAOYSA-N -2 0 377.296 2.790 20 0 GFADRL O=C([O-])c1ccc(O)c(S(=O)(=O)[N-]c2ccc(F)c(Br)c2)c1 ZINC000436993728 563687478 /nfs/dbraw/zinc/68/74/78/563687478.db2.gz GMDOAXZNHXEZAG-UHFFFAOYSA-N -2 0 390.186 2.793 20 0 GFADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2cc(F)ccc2Br)c1O ZINC000436997541 563687921 /nfs/dbraw/zinc/68/79/21/563687921.db2.gz WMUXPCBRVMYYPQ-UHFFFAOYSA-N -2 0 390.186 2.793 20 0 GFADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(F)(F)F)cc1O ZINC000442832655 563781256 /nfs/dbraw/zinc/78/12/56/563781256.db2.gz FANBTHATAHYXKJ-UHFFFAOYSA-N -2 0 381.284 2.691 20 0 GFADRL COc1ccc(O)c(S(=O)(=O)[N-]c2c(OC)ccc(Cl)c2C(=O)[O-])c1 ZINC000539398691 564218221 /nfs/dbraw/zinc/21/82/21/564218221.db2.gz JJISELFRKBHXEW-UHFFFAOYSA-N -2 0 387.797 2.562 20 0 GFADRL Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c(Cl)cc1F ZINC000507597728 564234813 /nfs/dbraw/zinc/23/48/13/564234813.db2.gz STXUDDVEMATAPH-UHFFFAOYSA-N -2 0 387.772 2.985 20 0 GFADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])c(Cl)c1 ZINC000509602661 564306273 /nfs/dbraw/zinc/30/62/73/564306273.db2.gz OELKBNSCDLNLLZ-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL COc1ccc(Br)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)c1 ZINC000476261986 564332225 /nfs/dbraw/zinc/33/22/25/564332225.db2.gz VKXQSTKWGUIPLX-UHFFFAOYSA-N -2 0 386.223 2.957 20 0 GFADRL COc1ccc(Br)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)c1 ZINC000476253017 564332490 /nfs/dbraw/zinc/33/24/90/564332490.db2.gz IZFCEKNUWQZCAJ-UHFFFAOYSA-N -2 0 386.223 2.957 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc3c[nH]nc32)cc1Br ZINC000476289841 564333459 /nfs/dbraw/zinc/33/34/59/564333459.db2.gz SPBMSQBLBDKJFO-UHFFFAOYSA-N -2 0 396.222 2.824 20 0 GFADRL CSc1c(F)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)cc1F ZINC000543164106 564340694 /nfs/dbraw/zinc/34/06/94/564340694.db2.gz KUGGEASOKUDZQM-UHFFFAOYSA-N -2 0 375.374 2.891 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C[C@H](C)C(=O)[O-])cc2)sc1C(=O)[O-] ZINC000543663266 564358075 /nfs/dbraw/zinc/35/80/75/564358075.db2.gz JVEZPSOTRATMTP-JTQLQIEISA-N -3 0 383.447 2.819 20 0 GFADRL Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cnn(CC(F)F)c1 ZINC000477509877 564379156 /nfs/dbraw/zinc/37/91/56/564379156.db2.gz VMSZRZCVMSCTIV-UHFFFAOYSA-N -2 0 379.772 2.609 20 0 GFADRL CCO[C@H]1C[C@]([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)(C(=O)[O-])C1(C)C ZINC000568000705 564399693 /nfs/dbraw/zinc/39/96/93/564399693.db2.gz AILURLOQQTUNDT-BONVTDFDSA-N -2 0 397.827 2.555 20 0 GFADRL CCc1noc2ncc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])c(Cl)c3)cc12 ZINC000545119395 564409168 /nfs/dbraw/zinc/40/91/68/564409168.db2.gz FJRFJGVUWVBGBQ-UHFFFAOYSA-N -2 0 381.797 2.938 20 0 GFADRL COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1C ZINC000512751910 564410477 /nfs/dbraw/zinc/41/04/77/564410477.db2.gz HJJJHUJOLCHIHL-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000512766940 564410741 /nfs/dbraw/zinc/41/07/41/564410741.db2.gz NGDOUSSWPOTMNW-UHFFFAOYSA-N -2 0 375.324 2.920 20 0 GFADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2ccccc2SC)c1OC ZINC000479201668 564431097 /nfs/dbraw/zinc/43/10/97/564431097.db2.gz JRZKSEDBWIIVEI-UHFFFAOYSA-N -2 0 383.447 2.925 20 0 GFADRL Cc1c(Cl)cc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2F)cc1C(=O)[O-] ZINC000479276238 564434321 /nfs/dbraw/zinc/43/43/21/564434321.db2.gz HVBBOXLEDSRWHM-UHFFFAOYSA-N -2 0 387.772 2.985 20 0 GFADRL O=C([O-])c1cc(F)c(F)cc1[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000547542042 564492261 /nfs/dbraw/zinc/49/22/61/564492261.db2.gz ZDYJPSBDMMXIBF-UHFFFAOYSA-N -2 0 393.165 2.621 20 0 GFADRL COC(=O)c1cccc(Cl)c1S(=O)(=O)[N-]c1ccc(F)c(C(=O)[O-])c1 ZINC000570429872 564505207 /nfs/dbraw/zinc/50/52/07/564505207.db2.gz GKBWLNJTTVLTQG-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-]c1ccc(Br)cc1C(=O)[O-] ZINC000547869572 564514337 /nfs/dbraw/zinc/51/43/37/564514337.db2.gz MUXDYOPQZCYBAV-RXMQYKEDSA-N -2 0 376.150 2.840 20 0 GFADRL O=C([O-])C[C@H](CC[N-]S(=O)(=O)c1cc2cc(F)ccc2o1)C(F)(F)F ZINC000517220006 564528095 /nfs/dbraw/zinc/52/80/95/564528095.db2.gz ILSFOGPUTYMZDN-VIFPVBQESA-N -2 0 383.319 2.894 20 0 GFADRL O=C([O-])c1cc([N-]S(=O)(=O)c2cccc(Cl)c2F)cc2c1OCCO2 ZINC000484987810 564604117 /nfs/dbraw/zinc/60/41/17/564604117.db2.gz POHDBPIAZJYZEI-UHFFFAOYSA-N -2 0 387.772 2.749 20 0 GFADRL O=C([O-])C[C@@H]1CCCN(C(=O)N=c2nc(-c3ccccc3Cl)[n-]s2)C1 ZINC000575235978 564694896 /nfs/dbraw/zinc/69/48/96/564694896.db2.gz XFWQHUAYJQGSAN-JTQLQIEISA-N -2 0 380.857 2.999 20 0 GFADRL O=C(N=c1nc(-c2cccnc2)[n-]s1)c1ccc(Br)c([O-])c1 ZINC000496914695 564862657 /nfs/dbraw/zinc/86/26/57/564862657.db2.gz GGSSUVMEXRXSAZ-UHFFFAOYSA-N -2 0 377.223 2.742 20 0 GFADRL CC[C@H](Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1)C(=O)[O-] ZINC000463775324 564889670 /nfs/dbraw/zinc/88/96/70/564889670.db2.gz BHKUZDIXDWLXSL-LLVKDONJSA-N -3 0 383.447 2.900 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnn(C(F)F)c2)cc1C(F)(F)F ZINC000463780814 564889708 /nfs/dbraw/zinc/88/97/08/564889708.db2.gz GMOSIIWAROZJMO-UHFFFAOYSA-N -2 0 385.270 2.796 20 0 GFADRL Cc1ccc(O)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Br)c1 ZINC000464841257 564919236 /nfs/dbraw/zinc/91/92/36/564919236.db2.gz WZQLHEDKRPUIMC-UHFFFAOYSA-N -2 0 386.223 2.962 20 0 GFADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(Br)cc1O ZINC000531808221 564920997 /nfs/dbraw/zinc/92/09/97/564920997.db2.gz YTUAJYUCQIMOQB-UHFFFAOYSA-N -2 0 386.223 2.962 20 0 GFADRL O=C([O-])[C@H](CCc1ccc(F)cc1)NS(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000560077249 564948835 /nfs/dbraw/zinc/94/88/35/564948835.db2.gz JNSPMZYCZOMQAS-HNNXBMFYSA-N -2 0 389.807 2.983 20 0 GFADRL O=C([O-])c1ccc(NS(=O)(=O)CCc2cccc(Cl)c2)cc1C(=O)[O-] ZINC000561307625 564990912 /nfs/dbraw/zinc/99/09/12/564990912.db2.gz VPERYDPRABGPTM-UHFFFAOYSA-N -2 0 383.809 2.721 20 0 GFADRL Cn1ncc([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)c1C(=O)[O-] ZINC000536993481 565051360 /nfs/dbraw/zinc/05/13/60/565051360.db2.gz WBLHWEIALHLDAQ-UHFFFAOYSA-N -2 0 384.628 2.879 20 0 GFADRL COC(=O)c1sc(C)cc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000594695795 565408030 /nfs/dbraw/zinc/40/80/30/565408030.db2.gz HYRQDXYGXIYABJ-UHFFFAOYSA-N -2 0 383.447 2.661 20 0 GFADRL CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(Cl)c2)n[nH]1 ZINC000675549962 565909488 /nfs/dbraw/zinc/90/94/88/565909488.db2.gz YGIBAWRNVMYMOB-UHFFFAOYSA-N -2 0 387.845 2.625 20 0 GFADRL CCCc1ccc([N-]S(=O)(=O)c2ccc(C(=O)OC)s2)c(C(=O)[O-])c1 ZINC000603977116 565920589 /nfs/dbraw/zinc/92/05/89/565920589.db2.gz MTFNMKWMTOJQGC-UHFFFAOYSA-N -2 0 383.447 2.986 20 0 GFADRL COC(=O)c1cc2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)ccc2o1 ZINC000603978677 565921019 /nfs/dbraw/zinc/92/10/19/565921019.db2.gz DWFIPOSOSWUNOS-UHFFFAOYSA-N -2 0 381.387 2.780 20 0 GFADRL COC(=O)c1csc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c1C ZINC000611443731 566129939 /nfs/dbraw/zinc/12/99/39/566129939.db2.gz SNQDBKBIWQBLTO-UHFFFAOYSA-N -2 0 375.449 2.712 20 0 GFADRL CC(=O)Nc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000736162488 599738259 /nfs/dbraw/zinc/73/82/59/599738259.db2.gz SKEQEHIGKULNRS-UHFFFAOYSA-N -2 0 392.311 2.756 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3[nH]c([C@H]4CCCO4)nc3c2)o1 ZINC000740187455 599739121 /nfs/dbraw/zinc/73/91/21/599739121.db2.gz LLVZFKIZFAHLER-GFCCVEGCSA-N -2 0 377.378 2.506 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])c(OC)c1OC ZINC000738040618 599748415 /nfs/dbraw/zinc/74/84/15/599748415.db2.gz BAILRUGMRKSRBO-UHFFFAOYSA-N -2 0 381.406 2.520 20 0 GFADRL COc1cc(C=Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)ccc1OCC(=O)[O-] ZINC000737877750 599801914 /nfs/dbraw/zinc/80/19/14/599801914.db2.gz ICLRXHWCJRVDNE-XVNBXDOJSA-N -2 0 396.355 2.676 20 0 GFADRL O=C([O-])c1cc([N-]S(=O)(=O)c2c(Cl)nc3sccn32)c(F)cc1F ZINC000324673615 599923862 /nfs/dbraw/zinc/92/38/62/599923862.db2.gz LROABPXUNALDEZ-UHFFFAOYSA-N -2 0 393.780 2.826 20 0 GFADRL Cc1cc(C(N)=O)ccc1[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000738352842 600053103 /nfs/dbraw/zinc/05/31/03/600053103.db2.gz WGDTVYSTYZVJKG-UHFFFAOYSA-N -2 0 390.442 2.808 20 0 GFADRL CC[C@@H]1CCc2nc([N-]S(=O)(=O)c3ccc(OCC(=O)[O-])cc3)sc2C1 ZINC000736941575 600054749 /nfs/dbraw/zinc/05/47/49/600054749.db2.gz YQDXGRRKDGJQKY-LLVKDONJSA-N -2 0 396.490 2.922 20 0 GFADRL CC(C)C[C@@H](C)n1nccc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000736404290 600054769 /nfs/dbraw/zinc/05/47/69/600054769.db2.gz ZCDJLMBIHUSSPD-CYBMUJFWSA-N -2 0 381.454 2.754 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)n(-c2ccccc2F)n1 ZINC000738463278 600055999 /nfs/dbraw/zinc/05/59/99/600055999.db2.gz KAYRCTUYEXOIRG-UHFFFAOYSA-N -2 0 381.410 2.880 20 0 GFADRL CC(=O)Nc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)ccc1C ZINC000736161446 600231438 /nfs/dbraw/zinc/23/14/38/600231438.db2.gz SEWGTVQTQYNQRZ-UHFFFAOYSA-N -2 0 384.360 2.731 20 0 GFADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)sc3c2)c1C(=O)[O-] ZINC000738827759 600235351 /nfs/dbraw/zinc/23/53/51/600235351.db2.gz PRDUBZRKGMGNPE-UHFFFAOYSA-N -2 0 378.435 2.704 20 0 GFADRL CCn1c(=O)c2ccc(C(=O)Nc3ccc(CNC(=O)[O-])cc3)cc2[n-]c1=S ZINC000737296009 600309857 /nfs/dbraw/zinc/30/98/57/600309857.db2.gz RCYJQGPEAMOFSQ-UHFFFAOYSA-N -2 0 398.444 2.725 20 0 GFADRL CC(C)(C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)c1cccc(Cl)c1 ZINC000736223292 600352300 /nfs/dbraw/zinc/35/23/00/600352300.db2.gz IOIPDSYFTVFRIB-UHFFFAOYSA-N -2 0 387.866 2.882 20 0 GFADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(Oc3ccc(F)cc3)cn2)c1C(=O)[O-] ZINC000738339251 600423774 /nfs/dbraw/zinc/42/37/74/600423774.db2.gz YJVOBULJUPAHEU-UHFFFAOYSA-N -2 0 392.368 2.544 20 0 GFADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)C[C@@H]2CCc3ccccc3C2)cc1 ZINC000739221649 600439484 /nfs/dbraw/zinc/43/94/84/600439484.db2.gz GKGGMKPEVRFEPM-OAHLLOKOSA-N -2 0 387.457 2.526 20 0 GFADRL O=C([O-])COc1cccc(CNC(=O)c2cccc(Br)c2[O-])c1 ZINC000739833126 600648452 /nfs/dbraw/zinc/64/84/52/600648452.db2.gz MHDFHPKAOQHKKR-UHFFFAOYSA-N -2 0 380.194 2.548 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)N2CCCc3c(C(=O)[O-])cccc32)cc1Cl ZINC000833325412 600673530 /nfs/dbraw/zinc/67/35/30/600673530.db2.gz WVZQIHAKAOIEEJ-UHFFFAOYSA-N -2 0 395.820 2.878 20 0 GFADRL CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1 ZINC000438770911 600684954 /nfs/dbraw/zinc/68/49/54/600684954.db2.gz LXEAROBDKGHFQC-UHFFFAOYSA-N -3 0 381.381 2.687 20 0 GFADRL CCCn1cc([N-]S(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2)cn1 ZINC000762475548 600686875 /nfs/dbraw/zinc/68/68/75/600686875.db2.gz PKPMBVKJDBHCJV-UHFFFAOYSA-N -2 0 388.243 2.555 20 0 GFADRL Cc1ccc(N2CCOC2=O)cc1[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000832937595 600691825 /nfs/dbraw/zinc/69/18/25/600691825.db2.gz ALWKXADGSATLRD-UHFFFAOYSA-N -2 0 382.419 2.512 20 0 GFADRL Cc1oc(C)c(S(=O)(=O)[N-]c2cc(N3CCOC3=O)ccc2C)c1C(=O)[O-] ZINC000832940593 600692054 /nfs/dbraw/zinc/69/20/54/600692054.db2.gz VKDLCXWJIQJBJP-UHFFFAOYSA-N -2 0 394.405 2.660 20 0 GFADRL CCc1c([O-])nc(SC/C=C(\C)C(=O)[O-])n(-c2ccc(OC)cc2)c1=O ZINC000830208871 600728761 /nfs/dbraw/zinc/72/87/61/600728761.db2.gz BGZLKFZKEGYOEQ-PKNBQFBNSA-N -2 0 376.434 2.632 20 0 GFADRL Cc1nc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)ccc1Br ZINC000387729478 600829023 /nfs/dbraw/zinc/82/90/23/600829023.db2.gz NSLDQUPCVXPVAT-UHFFFAOYSA-N -2 0 385.239 2.580 20 0 GFADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000736424220 600895985 /nfs/dbraw/zinc/89/59/85/600895985.db2.gz TYSAMMVHJUCOKU-GFCCVEGCSA-N -2 0 393.392 2.600 20 0 GFADRL COC(=O)C(C)(C)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1 ZINC000737564091 600900121 /nfs/dbraw/zinc/90/01/21/600900121.db2.gz RRNXFOROZXDUKP-UHFFFAOYSA-N -2 0 395.408 2.775 20 0 GFADRL CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000829009790 600943391 /nfs/dbraw/zinc/94/33/91/600943391.db2.gz QFAKLQYMNVWXHP-XPKDYRNWSA-N -2 0 383.466 2.564 20 0 GFADRL COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ncc(C(C)(C)C)s2)c1 ZINC000831242749 600985956 /nfs/dbraw/zinc/98/59/56/600985956.db2.gz QOHPQAZLLGMOFJ-UHFFFAOYSA-N -2 0 398.462 2.726 20 0 GFADRL O=C([O-])c1cc(Cl)cc(S(=O)(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)c1 ZINC000740075709 601118701 /nfs/dbraw/zinc/11/87/01/601118701.db2.gz NOJFSCXVBNDEQG-UHFFFAOYSA-N -2 0 391.735 2.815 20 0 GFADRL CCN1CCc2ccc([N-]S(=O)(=O)c3sc(C(=O)[O-])cc3OC)cc21 ZINC000829786020 601203359 /nfs/dbraw/zinc/20/33/59/601203359.db2.gz HJUOUYPNOGBNHL-UHFFFAOYSA-N -2 0 382.463 2.638 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(Cl)c2)cc1C(=O)[O-] ZINC000833029362 601229829 /nfs/dbraw/zinc/22/98/29/601229829.db2.gz HALWGHIBBLFPRV-UHFFFAOYSA-N -2 0 381.797 2.926 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2ccc(NC(=O)OC(C)(C)C)nc2)cc1C(=O)[O-] ZINC000833030106 601229833 /nfs/dbraw/zinc/22/98/33/601229833.db2.gz ROWULLFFAWBGMZ-UHFFFAOYSA-N -2 0 397.409 2.829 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2cccc(-c3cn4cccnc4n3)c2)cc1C(=O)[O-] ZINC000833029733 601230851 /nfs/dbraw/zinc/23/08/51/601230851.db2.gz LMJSNUNYSRBFRH-UHFFFAOYSA-N -2 0 398.400 2.797 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2cccc(-c3n[nH]c(C4CC4)n3)c2)cc1C(=O)[O-] ZINC000833030085 601233344 /nfs/dbraw/zinc/23/33/44/601233344.db2.gz RIVRLTAJRCIWDQ-UHFFFAOYSA-N -2 0 388.405 2.750 20 0 GFADRL COc1ccc([C@@H](NC(=O)c2nn(-c3ccc(F)cc3C)cc2[O-])C(=O)[O-])cc1 ZINC000832244620 601284608 /nfs/dbraw/zinc/28/46/08/601284608.db2.gz FRARSHRIJUOGRW-QGZVFWFLSA-N -2 0 399.378 2.590 20 0 GFADRL Cc1ccsc1Cn1nccc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000832983871 601329513 /nfs/dbraw/zinc/32/95/13/601329513.db2.gz FRHRUVSXMYKQTP-UHFFFAOYSA-N -2 0 395.437 2.939 20 0 GFADRL COc1ccc(OC(C)C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)c1 ZINC000521632774 601330111 /nfs/dbraw/zinc/33/01/11/601330111.db2.gz LDLXLRHZSLJEGU-UHFFFAOYSA-N -2 0 395.433 2.990 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1N1CCCC1 ZINC000013066957 601359539 /nfs/dbraw/zinc/35/95/39/601359539.db2.gz RFFHJQUVCBYLNH-UHFFFAOYSA-N -2 0 376.434 2.794 20 0 GFADRL COC(=O)c1sc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)nc1C(C)(C)C ZINC000831479866 601362938 /nfs/dbraw/zinc/36/29/38/601362938.db2.gz WHPVPTTWGMOORZ-UHFFFAOYSA-N -2 0 398.462 2.726 20 0 GFADRL O=C([O-])c1ccc(CCC(=O)[N-]S(=O)(=O)Cc2ccccc2Cl)cc1 ZINC000833102287 601364919 /nfs/dbraw/zinc/36/49/19/601364919.db2.gz QQXXAHBMCWIFPM-UHFFFAOYSA-N -2 0 381.837 2.617 20 0 GFADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cc1C(=O)[O-] ZINC000743266850 601484503 /nfs/dbraw/zinc/48/45/03/601484503.db2.gz UWHRZGKVWWJJDK-UHFFFAOYSA-N -3 0 387.772 2.985 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]C(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)c(C)s1 ZINC000832903074 601500231 /nfs/dbraw/zinc/50/02/31/601500231.db2.gz NDNGWYZBORQVNM-UHFFFAOYSA-N -2 0 397.474 2.564 20 0 GFADRL CCc1nnc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])s1 ZINC000830335107 601500533 /nfs/dbraw/zinc/50/05/33/601500533.db2.gz JNSVOTUYDUWSHG-UHFFFAOYSA-N -2 0 381.357 2.618 20 0 GFADRL Cc1cc(C)c2nc(C3CC3)cc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c2c1 ZINC000832874358 601501444 /nfs/dbraw/zinc/50/14/44/601501444.db2.gz GTGLFGKTNZLZOH-UHFFFAOYSA-N -2 0 390.461 2.653 20 0 GFADRL C[C@@H]1CC/C(=C/C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000828201724 601546215 /nfs/dbraw/zinc/54/62/15/601546215.db2.gz VJRHAPGRFLXXFQ-JRZFIGEHSA-N -2 0 391.367 2.955 20 0 GFADRL O=C([O-])[C@@]1(F)CCN(Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)C1 ZINC000833174588 601552268 /nfs/dbraw/zinc/55/22/68/601552268.db2.gz HMQWFAKHYSPRBX-GOSISDBHSA-N -2 0 391.399 2.789 20 0 GFADRL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000443365753 601575756 /nfs/dbraw/zinc/57/57/56/601575756.db2.gz LATYPLYKNHAAPS-UHFFFAOYSA-N -3 0 379.390 2.671 20 0 GFADRL COc1ccc(-c2cc3[n-]c(CN(CC(=O)[O-])C4CC4)nc(=O)c3s2)cc1 ZINC000738082031 601579021 /nfs/dbraw/zinc/57/90/21/601579021.db2.gz FWSLSLRNQWLODZ-UHFFFAOYSA-N -2 0 385.445 2.709 20 0 GFADRL CCc1ccccc1-n1cc([O-])c(C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)n1 ZINC000830269914 601756646 /nfs/dbraw/zinc/75/66/46/601756646.db2.gz HQBXBLUKIMHBDM-OAHLLOKOSA-N -2 0 377.400 2.969 20 0 GFADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1nc(COc2ccccc2)cs1 ZINC000833346532 601767650 /nfs/dbraw/zinc/76/76/50/601767650.db2.gz RHLZFGLYPOLOBR-UHFFFAOYSA-N -2 0 397.459 2.678 20 0 GFADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1cc(F)ccc1N1CCCCC1 ZINC000833345170 601768577 /nfs/dbraw/zinc/76/85/77/601768577.db2.gz MSRRVEADTAFRAX-UHFFFAOYSA-N -2 0 385.442 2.772 20 0 GFADRL Cc1ccc(NC(=O)C(C)C)cc1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000832943225 601835888 /nfs/dbraw/zinc/83/58/88/601835888.db2.gz SEJGHPKRTDADME-UHFFFAOYSA-N -2 0 383.451 2.545 20 0 GFADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ccc(Oc2ccc(F)cc2)nc1 ZINC000833346795 601836345 /nfs/dbraw/zinc/83/63/45/601836345.db2.gz VMWDZWARGQUNLF-UHFFFAOYSA-N -2 0 395.393 2.969 20 0 GFADRL CC(=O)Nc1c(C)ccc([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])c1C ZINC000825879238 601836666 /nfs/dbraw/zinc/83/66/66/601836666.db2.gz NJHQECUXYCAGIH-UHFFFAOYSA-N -2 0 397.840 2.809 20 0 GFADRL C[S@@](=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c1 ZINC000731902217 601841684 /nfs/dbraw/zinc/84/16/84/601841684.db2.gz JTZSYUVUEYGTDC-HSZRJFAPSA-N -2 0 391.829 2.716 20 0 GFADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1O[C@H]1CCOC1 ZINC000268309980 601854842 /nfs/dbraw/zinc/85/48/42/601854842.db2.gz JMKAMOCVLQJCGN-AWEZNQCLSA-N -2 0 377.418 2.662 20 0 GFADRL Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1nc2c(s1)CN(C(=O)[O-])CC2 ZINC000740128185 601977477 /nfs/dbraw/zinc/97/74/77/601977477.db2.gz VHIDPFRBJJEQQP-UHFFFAOYSA-N -2 0 387.870 2.942 20 0 GFADRL O=C([O-])c1nscc1[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000833347346 602156522 /nfs/dbraw/zinc/15/65/22/602156522.db2.gz ZKCWLPBPPVCWDS-UHFFFAOYSA-N -2 0 381.204 2.544 20 0 GFADRL CCCc1cc([N-]S(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2)n[nH]1 ZINC000829566362 602306217 /nfs/dbraw/zinc/30/62/17/602306217.db2.gz JJYISRVSKGMCPC-UHFFFAOYSA-N -2 0 388.243 2.624 20 0 GFADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2cc(CCc3ccccc3)[nH]n2)cc1 ZINC000833267245 602306840 /nfs/dbraw/zinc/30/68/40/602306840.db2.gz ROUZGRROBYQHLF-UHFFFAOYSA-N -2 0 385.445 2.623 20 0 GFADRL CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3[nH]nc(C(=O)[O-])c3c2)c1 ZINC000825951222 602315819 /nfs/dbraw/zinc/31/58/19/602315819.db2.gz AJFWIGCGHLJJDA-UHFFFAOYSA-N -2 0 393.808 2.918 20 0 GFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2c(Cl)nc3sccn32)cc1F ZINC000754758564 602322378 /nfs/dbraw/zinc/32/23/78/602322378.db2.gz LJQOJELYMKCDSO-UHFFFAOYSA-N -2 0 375.790 2.687 20 0 GFADRL COC(=O)c1csc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(=O)[O-])c1 ZINC000739793418 602646067 /nfs/dbraw/zinc/64/60/67/602646067.db2.gz NNHAUNVRKJFMHM-UHFFFAOYSA-N -2 0 396.446 2.766 20 0 GFADRL CCN(Cc1cccc([N-]S(=O)(=O)c2c(C)nn(C)c2Cl)c1)C(=O)[O-] ZINC000739446722 602654241 /nfs/dbraw/zinc/65/42/41/602654241.db2.gz MVWIUCOTZFZFNW-UHFFFAOYSA-N -2 0 386.861 2.683 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]C(=O)CC[C@H](NC(=O)[O-])c2ccccc2)s1 ZINC000740146511 602670247 /nfs/dbraw/zinc/67/02/47/602670247.db2.gz HDXSOGAXVNVYKK-ZDUSSCGKSA-N -2 0 382.463 2.651 20 0 GFADRL CS(=O)(=O)[N-]c1cc2ccccc2cc1C(=O)OC[C@H]1CCCN1C(=O)[O-] ZINC000740001713 602915363 /nfs/dbraw/zinc/91/53/63/602915363.db2.gz MMVWWDKJZMNUNN-CQSZACIVSA-N -2 0 392.433 2.511 20 0 GFADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000829972082 603838410 /nfs/dbraw/zinc/83/84/10/603838410.db2.gz UWNZQSSMNAISSA-UHFFFAOYSA-N -2 0 376.390 2.535 20 0 GFADRL C[C@H](CN(C)C(=O)[O-])C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000824880038 604131387 /nfs/dbraw/zinc/13/13/87/604131387.db2.gz CSHPMYFYRGPJEQ-CYBMUJFWSA-N -2 0 391.449 2.672 20 0 GFADRL C[C@H](CC(=O)[N-]S(=O)(=O)c1ccccc1Cl)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824680454 604394330 /nfs/dbraw/zinc/39/43/30/604394330.db2.gz VZLXDGMAXXNXQQ-NEPJUHHUSA-N -2 0 388.873 2.561 20 0 GFADRL Cn1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2C(=O)[O-])nc1Cl ZINC000776434418 604397682 /nfs/dbraw/zinc/39/76/82/604397682.db2.gz DQMVHLLNIQZSPM-UHFFFAOYSA-N -2 0 383.735 2.591 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2nc(CCC(=O)[O-])cs2)cc1Cl ZINC000832468928 604624036 /nfs/dbraw/zinc/62/40/36/604624036.db2.gz UIIZYGWYGFOJGI-UHFFFAOYSA-N -2 0 376.843 2.623 20 0 GFADRL CCCCn1ncc([N-]S(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)c1C ZINC000829452870 604793029 /nfs/dbraw/zinc/79/30/29/604793029.db2.gz KTUZUSXGGBIERE-UHFFFAOYSA-N -2 0 381.454 2.646 20 0 GFADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000832853305 604806601 /nfs/dbraw/zinc/80/66/01/604806601.db2.gz UZZHDSWFBVPXIQ-UHFFFAOYSA-N -2 0 399.808 2.611 20 0 GFADRL O=C([O-])CCOc1ccc(S(=O)(=O)[N-]c2c[nH]nc2-c2ccccc2)cc1 ZINC000833774757 604947341 /nfs/dbraw/zinc/94/73/41/604947341.db2.gz FMYOYADSXZMJHP-UHFFFAOYSA-N -2 0 387.417 2.731 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2n[nH]c3c2cccc3Cl)cc1C(=O)[O-] ZINC000832468907 605013562 /nfs/dbraw/zinc/01/35/62/605013562.db2.gz SJPBPLSYXVPUJT-UHFFFAOYSA-N -2 0 381.797 2.724 20 0 GFADRL CC(C)(C)OCc1ccccc1C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000833445713 605021005 /nfs/dbraw/zinc/02/10/05/605021005.db2.gz NPJQSHYOUWLHKV-UHFFFAOYSA-N -2 0 397.474 2.880 20 0 GFADRL CC(C)(C)OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c(F)c1 ZINC000833444446 605028983 /nfs/dbraw/zinc/02/89/83/605028983.db2.gz VGAKGECAEQLRDT-UHFFFAOYSA-N -2 0 385.369 2.873 20 0 GFADRL CC(C)C[C@@H](C)OCCC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000833475962 605118778 /nfs/dbraw/zinc/11/87/78/605118778.db2.gz VRXPDYYEALGSCT-LLVKDONJSA-N -2 0 391.873 2.684 20 0 GFADRL Cc1cnn(-c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2cc(C)oc2C)c1 ZINC000833754637 605125716 /nfs/dbraw/zinc/12/57/16/605125716.db2.gz ZJZFUMQXMPMKFO-UHFFFAOYSA-N -2 0 375.406 2.890 20 0 GFADRL Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)cc1C(=O)[O-] ZINC000753779514 605166917 /nfs/dbraw/zinc/16/69/17/605166917.db2.gz KUWLONGLTUSQMO-UHFFFAOYSA-N -3 0 395.408 2.995 20 0 GFADRL C[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000833602119 605188288 /nfs/dbraw/zinc/18/82/88/605188288.db2.gz PIADTGQWAZYZCV-DTWKUNHWSA-N -2 0 379.356 2.645 20 0 GFADRL O=C([O-])NCCOc1ccc([N-]S(=O)(=O)c2cc3ccccc3o2)cc1 ZINC000834246289 605306654 /nfs/dbraw/zinc/30/66/54/605306654.db2.gz ZGDMQCSUNDKRLQ-UHFFFAOYSA-N -2 0 376.390 2.880 20 0 GFADRL CC(C)CCN1Cc2cccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])nc3)c2C1 ZINC000833483431 605342731 /nfs/dbraw/zinc/34/27/31/605342731.db2.gz KJVYRCMJKKVLHU-UHFFFAOYSA-N -2 0 389.477 2.942 20 0 GFADRL CC1(C)Cc2cc(S(=O)(=O)[N-]c3nc4c(cccc4C(=O)[O-])[nH]3)ccc2O1 ZINC000833562180 605784672 /nfs/dbraw/zinc/78/46/72/605784672.db2.gz LQCRWGBQVIDYRJ-UHFFFAOYSA-N -2 0 387.417 2.775 20 0 GFADRL O=C([O-])N[C@@H]1CC[C@@H](C(=O)N[C@H](Cc2cc(Cl)cc(Cl)c2)C(=O)[O-])C1 ZINC000834165321 606071842 /nfs/dbraw/zinc/07/18/42/606071842.db2.gz SFXUSUKJUNZXID-OASPWFOLSA-N -2 0 389.235 2.542 20 0 GFADRL COC(=O)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)ccc1F ZINC000026235598 654556385 /nfs/dbraw/zinc/55/63/85/654556385.db2.gz IEZXMLUPILSTFR-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL CCN(Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)C(C)=O ZINC000032627287 654606547 /nfs/dbraw/zinc/60/65/47/654606547.db2.gz LOQFLELXMBQDJD-UHFFFAOYSA-N -2 0 382.463 2.616 20 0 GFADRL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000067124877 654931207 /nfs/dbraw/zinc/93/12/07/654931207.db2.gz STQZJPHXPWKSKX-UHFFFAOYSA-N -2 0 397.762 2.900 20 0 GFADRL CCc1ccc(S(=O)(=O)[N-]c2ccn(CC(F)(F)F)n2)cc1C(=O)[O-] ZINC000137697872 655041338 /nfs/dbraw/zinc/04/13/38/655041338.db2.gz CPPJCKRWPUHMJV-UHFFFAOYSA-N -2 0 377.344 2.507 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cnc1Br ZINC000181175778 655333348 /nfs/dbraw/zinc/33/33/48/655333348.db2.gz HRFUCRMJBASVIL-UHFFFAOYSA-N -2 0 385.239 2.580 20 0 GFADRL Cc1nc(Br)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000319576318 655381751 /nfs/dbraw/zinc/38/17/51/655381751.db2.gz ROXJAKNQRQRLFZ-UHFFFAOYSA-N -2 0 389.202 2.791 20 0 GFADRL CC[C@](C)(NC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1)C(=O)[O-] ZINC000262447843 655445836 /nfs/dbraw/zinc/44/58/36/655445836.db2.gz OWETXZWJJLGCEZ-INIZCTEOSA-N -2 0 382.463 2.532 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])c1F ZINC000749142405 655800967 /nfs/dbraw/zinc/80/09/67/655800967.db2.gz KHMHVHMBJGCBRL-UHFFFAOYSA-N -3 0 387.772 2.985 20 0 GFADRL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000776560633 656757956 /nfs/dbraw/zinc/75/79/56/656757956.db2.gz QCTJNFFDJUHKMG-UHFFFAOYSA-N -2 0 388.804 2.913 20 0 GFADRL CO[C@@H]1Cc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3Cl)cc2C1 ZINC000783863093 657265614 /nfs/dbraw/zinc/26/56/14/657265614.db2.gz OTYCJFKJUDACJT-CQSZACIVSA-N -2 0 381.837 2.953 20 0 GFADRL Cc1cc(NS(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)cc(C(=O)[O-])c1 ZINC000795365196 658811388 /nfs/dbraw/zinc/81/13/88/658811388.db2.gz HRDLTHVONSZMAN-UHFFFAOYSA-N -2 0 387.772 2.985 20 0 GFADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccc(-c3nncs3)cc2)c1 ZINC000798247443 659088718 /nfs/dbraw/zinc/08/87/18/659088718.db2.gz WJICFUPTYOTXRW-UHFFFAOYSA-N -2 0 379.394 2.843 20 0 GFADRL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)c1 ZINC000800836884 659335304 /nfs/dbraw/zinc/33/53/04/659335304.db2.gz ASWKSOJLKJRAFV-UHFFFAOYSA-N -2 0 379.821 2.897 20 0 GFADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000853071007 661880775 /nfs/dbraw/zinc/88/07/75/661880775.db2.gz YDIPHXDNSXNPMK-SSDLBLMSSA-N -2 0 380.171 2.989 20 0 GFADRL O=C([O-])CC1([N-]S(=O)(=O)c2oc3ccccc3c2Br)CCC1 ZINC000899556705 663693608 /nfs/dbraw/zinc/69/36/08/663693608.db2.gz QTNAYWQCUVOBPX-UHFFFAOYSA-N -2 0 388.239 2.871 20 0 GFADRL Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(F)cc1[N-]S(C)(=O)=O ZINC000179765246 552202633 /nfs/dbraw/zinc/20/26/33/552202633.db2.gz MNVJSYKLNLNAIK-UHFFFAOYSA-N -2 0 392.861 2.960 20 0 GFADRL Cc1cc(-c2ncccc2[N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cs1 ZINC000189720865 552477999 /nfs/dbraw/zinc/47/79/99/552477999.db2.gz COKBGBIAZIZNRN-UHFFFAOYSA-N -2 0 377.447 2.956 20 0 GFADRL Cc1nc(CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)sc1C(=O)[O-] ZINC000315657471 563440882 /nfs/dbraw/zinc/44/08/82/563440882.db2.gz IPPZUFVDHXKTGY-UHFFFAOYSA-N -2 0 381.262 2.935 20 0 GFADRL COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)[O-] ZINC000320399049 563446544 /nfs/dbraw/zinc/44/65/44/563446544.db2.gz YURBGYZLIYTPFC-UHFFFAOYSA-N -2 0 375.811 2.687 20 0 GFADRL COc1ccc(OC(F)F)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000324888342 563452872 /nfs/dbraw/zinc/45/28/72/563452872.db2.gz SLBJCNHWZXGOCM-UHFFFAOYSA-N -2 0 379.362 2.857 20 0 GFADRL CCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000327356936 563457759 /nfs/dbraw/zinc/45/77/59/563457759.db2.gz VXMRDIPEKDVILP-UHFFFAOYSA-N -2 0 382.463 2.695 20 0 GFADRL COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1C ZINC000327681889 563459158 /nfs/dbraw/zinc/45/91/58/563459158.db2.gz DPEAICUUQRRCAP-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cc1 ZINC000393237365 563528507 /nfs/dbraw/zinc/52/85/07/563528507.db2.gz ZXPDPINXCYYVRJ-UHFFFAOYSA-N -2 0 382.825 2.589 20 0 GFADRL C[C@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])c2cc(Cl)ccc2O1 ZINC000433512032 563614639 /nfs/dbraw/zinc/61/46/39/563614639.db2.gz UWPSAHVMMYMJEU-VIFPVBQESA-N -2 0 383.809 2.720 20 0 GFADRL COC(=O)c1scc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C ZINC000436176142 563666141 /nfs/dbraw/zinc/66/61/41/563666141.db2.gz HIUXRIHOQGJNSJ-UHFFFAOYSA-N -2 0 383.447 2.959 20 0 GFADRL O=C([O-])c1ccc(O)c(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2O)c1 ZINC000436998859 563687498 /nfs/dbraw/zinc/68/74/98/563687498.db2.gz ZMTABLWHVJADKF-UHFFFAOYSA-N -2 0 377.296 2.616 20 0 GFADRL CC(C)(C)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2[nH]nnc2c1 ZINC000446618689 563866761 /nfs/dbraw/zinc/86/67/61/563866761.db2.gz AFYZTBYDJPLTJN-UHFFFAOYSA-N -2 0 380.451 2.816 20 0 GFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(OC(F)F)c(F)c2)c(O)c1 ZINC000447779198 563885819 /nfs/dbraw/zinc/88/58/19/563885819.db2.gz SNJAUZAJOACKJW-UHFFFAOYSA-N -2 0 377.296 2.632 20 0 GFADRL COc1ccsc1S(=O)(=O)[N-]c1c(OC)ccc(Cl)c1C(=O)[O-] ZINC000471130921 564186526 /nfs/dbraw/zinc/18/65/26/564186526.db2.gz ZSZARXUHBKPWEQ-UHFFFAOYSA-N -2 0 377.827 2.918 20 0 GFADRL O=S(=O)([N-]c1ccccc1[N-]S(=O)(=O)c1ccccc1)c1ccoc1 ZINC000506671091 564209146 /nfs/dbraw/zinc/20/91/46/564209146.db2.gz WSHNURAIPABKCY-UHFFFAOYSA-N -2 0 378.431 2.881 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2cncc(Cl)c2C)c(C)c1OCC(=O)[O-] ZINC000451065601 564269689 /nfs/dbraw/zinc/26/96/89/564269689.db2.gz RMIXXKZWLQDLCS-UHFFFAOYSA-N -2 0 384.841 2.924 20 0 GFADRL Cc1c([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cnn1-c1ccc(Cl)cc1 ZINC000565324617 564275872 /nfs/dbraw/zinc/27/58/72/564275872.db2.gz GEZFJMQQUZSOIB-UHFFFAOYSA-N -2 0 380.813 2.661 20 0 GFADRL Cc1noc(C)c1[N-]S(=O)(=O)c1cc(Br)cc(C(=O)[O-])c1C ZINC000476421656 564339159 /nfs/dbraw/zinc/33/91/59/564339159.db2.gz ZLAZLOAHXRNWOL-UHFFFAOYSA-N -2 0 389.227 2.861 20 0 GFADRL COc1ccsc1S(=O)(=O)[N-]c1ccc(N2CCCC2)cc1C(=O)[O-] ZINC000544646014 564391303 /nfs/dbraw/zinc/39/13/03/564391303.db2.gz BNQCDKQBOXAUME-UHFFFAOYSA-N -2 0 382.463 2.856 20 0 GFADRL O=C([O-])Cc1ccc([N-]S(=O)(=O)c2cc3c(cc2Cl)OCCO3)cc1 ZINC000545121488 564409331 /nfs/dbraw/zinc/40/93/31/564409331.db2.gz KUUFAQVEHXNKMU-UHFFFAOYSA-N -2 0 383.809 2.539 20 0 GFADRL O=C([O-])c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000547870976 564514420 /nfs/dbraw/zinc/51/44/20/564514420.db2.gz RVWUTQFVASPLRX-UHFFFAOYSA-N -2 0 391.630 2.997 20 0 GFADRL CC(C)n1cc([N-]S(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2)cn1 ZINC000518410102 564553124 /nfs/dbraw/zinc/55/31/24/564553124.db2.gz BUFGZGLIVSSNLQ-UHFFFAOYSA-N -2 0 388.243 2.726 20 0 GFADRL Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000484557612 564591225 /nfs/dbraw/zinc/59/12/25/564591225.db2.gz MGVBKHCZJXKVIZ-UHFFFAOYSA-N -3 0 375.811 2.907 20 0 GFADRL COC[C@H](C)n1ccc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)n1 ZINC000489038943 564726864 /nfs/dbraw/zinc/72/68/64/564726864.db2.gz JFYNVYZOJSWKRF-VIFPVBQESA-N -2 0 387.845 2.551 20 0 GFADRL COC(=O)c1cccc(Cl)c1S(=O)(=O)[N-]c1ccc(CC(=O)[O-])cc1 ZINC000579985549 564754145 /nfs/dbraw/zinc/75/41/45/564754145.db2.gz DWVPOYGJZVQKNX-UHFFFAOYSA-N -2 0 383.809 2.555 20 0 GFADRL CCCC[C@@H]([N-]S(=O)(=O)c1cc(F)c(Br)cc1F)C(=O)[O-] ZINC000462392462 564836603 /nfs/dbraw/zinc/83/66/03/564836603.db2.gz IAKXUYIYGRPPTD-SNVBAGLBSA-N -2 0 386.214 2.649 20 0 GFADRL Cc1cccc(O)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Br ZINC000558039604 564889892 /nfs/dbraw/zinc/88/98/92/564889892.db2.gz GKTDYXHLMCDSAC-UHFFFAOYSA-N -2 0 386.223 2.962 20 0 GFADRL O=C([O-])C/C(=C/c1cn(CC(=O)[O-])nn1)c1nc2cc(Cl)ccc2s1 ZINC000533952989 564976511 /nfs/dbraw/zinc/97/65/11/564976511.db2.gz IRZWBRKHKCOFKA-BAQGIRSFSA-N -2 0 378.797 2.641 20 0 GFADRL Cc1oc(C)c(S(=O)(=O)NCC(F)(F)c2ccc(F)cc2)c1C(=O)[O-] ZINC000663430309 565420272 /nfs/dbraw/zinc/42/02/72/565420272.db2.gz PFCJICWNVOSAQR-UHFFFAOYSA-N -2 0 377.340 2.804 20 0 GFADRL CO[C@H](CS(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1OC(F)(F)F)C(C)C ZINC000647130850 565640320 /nfs/dbraw/zinc/64/03/20/565640320.db2.gz NRGNGJBRWKDMCS-GFCCVEGCSA-N -2 0 385.360 2.696 20 0 GFADRL COc1ncc(S(=O)(=O)[N-]c2ccc(C[C@@H](C)C(=O)[O-])cc2)cc1Cl ZINC000647130301 565640694 /nfs/dbraw/zinc/64/06/94/565640694.db2.gz OXIVYGSJGPSRBA-SNVBAGLBSA-N -2 0 384.841 2.808 20 0 GFADRL C[C@@H]1CC(=O)N(C)c2ccc([N-]S(=O)(=O)c3csc(C(=O)[O-])c3)cc21 ZINC000629333122 565844898 /nfs/dbraw/zinc/84/48/98/565844898.db2.gz PWKMPAGGOPCUKT-SECBINFHSA-N -2 0 380.447 2.717 20 0 GFADRL C[C@H]1CN(C(=O)N=c2nc(-c3cccc(Cl)c3)[n-]s2)CC[C@@H]1C(=O)[O-] ZINC000630565542 565910285 /nfs/dbraw/zinc/91/02/85/565910285.db2.gz IPLFHBZWRXBAIA-CABZTGNLSA-N -2 0 380.857 2.855 20 0 GFADRL COC(=O)c1csc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)c1C ZINC000611443562 566130665 /nfs/dbraw/zinc/13/06/65/566130665.db2.gz DKJUEGZHIVJLKZ-UHFFFAOYSA-N -2 0 383.447 2.959 20 0 GFADRL COc1ccc(Br)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1 ZINC000115934286 599739407 /nfs/dbraw/zinc/73/94/07/599739407.db2.gz KFLZSJGCNWQZBW-UHFFFAOYSA-N -2 0 376.184 2.550 20 0 GFADRL Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)NC[C@@H](C)C(=O)[O-])c1 ZINC000262544102 599776503 /nfs/dbraw/zinc/77/65/03/599776503.db2.gz SEHNVSMGHWDCNM-CQSZACIVSA-N -2 0 390.461 2.555 20 0 GFADRL C[C@@H]1CCc2ccccc2N1S(=O)(=O)[N-]C(=O)c1cccc(NC(=O)[O-])c1 ZINC000736805913 599913550 /nfs/dbraw/zinc/91/35/50/599913550.db2.gz RNUCXHBAIISAJB-GFCCVEGCSA-N -2 0 389.433 2.592 20 0 GFADRL Cc1noc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Br ZINC000738944872 599924335 /nfs/dbraw/zinc/92/43/35/599924335.db2.gz KCTJWUBHGJDUAA-UHFFFAOYSA-N -2 0 393.190 2.692 20 0 GFADRL CCC1=C(C(=O)[O-])[C@H](c2ccc(OCCC(=O)[O-])cc2)NC(=O)N1CC1CC1 ZINC000736932759 599988252 /nfs/dbraw/zinc/98/82/52/599988252.db2.gz VPRUMYAZPKTJGE-SFHVURJKSA-N -2 0 388.420 2.765 20 0 GFADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccnn2Cc2ccccc2F)c1 ZINC000738688733 599998377 /nfs/dbraw/zinc/99/83/77/599998377.db2.gz JRJDKBSNKAWCPX-UHFFFAOYSA-N -2 0 375.381 2.570 20 0 GFADRL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC000737939375 600006693 /nfs/dbraw/zinc/00/66/93/600006693.db2.gz GNYSTCSCXUQBDP-UHFFFAOYSA-N -3 0 385.781 2.546 20 0 GFADRL COC(=O)c1c(C)c(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc(OC)cc1C ZINC000737648826 600023453 /nfs/dbraw/zinc/02/34/53/600023453.db2.gz GRTLBFOWLNHQHA-UHFFFAOYSA-N -2 0 399.446 2.659 20 0 GFADRL CCC/C(C)=C\C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000736960471 600044598 /nfs/dbraw/zinc/04/45/98/600044598.db2.gz VWMSSIBXIFQFQJ-UITAMQMPSA-N -2 0 379.356 2.955 20 0 GFADRL O=C([O-])c1cc(C(F)(F)F)cc(S(=O)(=O)[N-]C(=O)C[C@H]2C=CCC2)c1 ZINC000739218295 600045038 /nfs/dbraw/zinc/04/50/38/600045038.db2.gz HQFBJIRJRAEGIG-VIFPVBQESA-N -2 0 377.340 2.565 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)[O-])cs2)cc1C(F)(F)F ZINC000738294885 600053657 /nfs/dbraw/zinc/05/36/57/600053657.db2.gz BWWFQBLFKHEXRK-UHFFFAOYSA-N -2 0 380.369 2.898 20 0 GFADRL Cc1nc([N-]S(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)sc1C(=O)[O-] ZINC000738364907 600054562 /nfs/dbraw/zinc/05/45/62/600054562.db2.gz YLOUEMPIIXQFIB-UHFFFAOYSA-N -2 0 397.478 2.935 20 0 GFADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2nc3cc4c(cc3s2)OCCO4)c1 ZINC000740279461 600054848 /nfs/dbraw/zinc/05/48/48/600054848.db2.gz ZPRUKSJFWJNZTK-UHFFFAOYSA-N -2 0 398.443 2.628 20 0 GFADRL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nc(C(C)C)cs1 ZINC000737717217 600055007 /nfs/dbraw/zinc/05/50/07/600055007.db2.gz IUAJNAUSIKLTEC-UHFFFAOYSA-N -2 0 390.464 2.614 20 0 GFADRL Cc1nc([N-]S(=O)(=O)c2cc(Br)ccc2F)sc1C(=O)[O-] ZINC000738363195 600055031 /nfs/dbraw/zinc/05/50/31/600055031.db2.gz FQSOXFDDOJJKFC-UHFFFAOYSA-N -2 0 395.231 2.852 20 0 GFADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccnn2CCc2ccccc2)c1C(=O)[O-] ZINC000738969682 600055218 /nfs/dbraw/zinc/05/52/18/600055218.db2.gz OOJWFVXKNWPIBL-UHFFFAOYSA-N -2 0 389.433 2.835 20 0 GFADRL CCOc1ccc(S(=O)(=O)[N-]c2nc3nc(C)cc(C(=O)[O-])c3s2)cc1 ZINC000737211175 600101743 /nfs/dbraw/zinc/10/17/43/600101743.db2.gz XLIZGHYQNFHPIE-UHFFFAOYSA-N -2 0 393.446 2.897 20 0 GFADRL COCCCn1ccc([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])n1 ZINC000737766320 600211860 /nfs/dbraw/zinc/21/18/60/600211860.db2.gz XZOKILJXXMGVNU-UHFFFAOYSA-N -2 0 395.462 2.633 20 0 GFADRL Cc1cc(C)c(S(=O)(=O)N2CCCc3cc(C(=O)[O-])ccc32)cc1C(=O)[O-] ZINC000580087364 600253279 /nfs/dbraw/zinc/25/32/79/600253279.db2.gz JIBGOXHLIQBTGR-UHFFFAOYSA-N -2 0 389.429 2.841 20 0 GFADRL CC[C@H](Sc1ccccc1)C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000736928345 600421527 /nfs/dbraw/zinc/42/15/27/600421527.db2.gz HDXLPLBCXXZUKK-INIZCTEOSA-N -2 0 393.486 2.902 20 0 GFADRL CCc1ccc([C@@H](C)CC(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000737256023 600510965 /nfs/dbraw/zinc/51/09/65/600510965.db2.gz FAVFSOMHLUPICL-ZDUSSCGKSA-N -2 0 375.446 2.946 20 0 GFADRL COC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC000737691051 600541973 /nfs/dbraw/zinc/54/19/73/600541973.db2.gz IMYXTZSJEJBLMM-UHFFFAOYSA-N -2 0 399.808 2.634 20 0 GFADRL COCCCOc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC000057121033 600543671 /nfs/dbraw/zinc/54/36/71/600543671.db2.gz WLZZIZYLXATARA-UHFFFAOYSA-N -2 0 395.433 2.610 20 0 GFADRL COC(=O)c1cc(Cl)cc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])c1 ZINC000737653459 600636715 /nfs/dbraw/zinc/63/67/15/600636715.db2.gz HYYHEVCIXRXAAU-UHFFFAOYSA-N -2 0 375.811 2.687 20 0 GFADRL COC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC000737690586 600637850 /nfs/dbraw/zinc/63/78/50/600637850.db2.gz BWOVFTJMLXRWTM-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL COC(=O)c1cc(NC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)ccc1C(=O)[O-] ZINC000831265069 600669375 /nfs/dbraw/zinc/66/93/75/600669375.db2.gz YCOUPGGONOYCOB-HXUWFJFHSA-N -2 0 385.372 2.543 20 0 GFADRL COC(=O)c1cc(NC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)ccc1C(=O)[O-] ZINC000831265068 600669600 /nfs/dbraw/zinc/66/96/00/600669600.db2.gz YCOUPGGONOYCOB-FQEVSTJZSA-N -2 0 385.372 2.543 20 0 GFADRL COc1ccccc1-n1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)cn1 ZINC000485227729 600673105 /nfs/dbraw/zinc/67/31/05/600673105.db2.gz OEKLRLXPOGRBRT-UHFFFAOYSA-N -2 0 387.417 2.688 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccccc3)c2)c[nH]1 ZINC000509609469 600675712 /nfs/dbraw/zinc/67/57/12/600675712.db2.gz GZQSQXNQSKXPQM-UHFFFAOYSA-N -2 0 385.401 2.766 20 0 GFADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2ccc(CCCc3ccccc3)cc2)cn1 ZINC000833274586 600680777 /nfs/dbraw/zinc/68/07/77/600680777.db2.gz FRTTUWGPCMDGJF-UHFFFAOYSA-N -2 0 399.472 2.944 20 0 GFADRL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OCC2CC2)cc1 ZINC000607103041 600694003 /nfs/dbraw/zinc/69/40/03/600694003.db2.gz JBEARUHKGAOSFB-UHFFFAOYSA-N -2 0 395.408 2.879 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2ccc(Br)c(C)n2)ccc1C(=O)[O-] ZINC000319065818 600829182 /nfs/dbraw/zinc/82/91/82/600829182.db2.gz XSRZPDWTAROPKB-UHFFFAOYSA-N -2 0 385.239 2.960 20 0 GFADRL Cn1cc(S(=O)(=O)[N-]c2ccccc2N2CCCCCC2)cc1C(=O)[O-] ZINC000833056219 600830682 /nfs/dbraw/zinc/83/06/82/600830682.db2.gz ZNEPMHDWMUMKOO-UHFFFAOYSA-N -2 0 377.466 2.905 20 0 GFADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1N1CCOC1=O ZINC000746056671 600867885 /nfs/dbraw/zinc/86/78/85/600867885.db2.gz UIWVHCPDLUJVBV-UHFFFAOYSA-N -2 0 394.380 2.590 20 0 GFADRL CC(C)n1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2OC(F)F)cn1 ZINC000736533213 600894280 /nfs/dbraw/zinc/89/42/80/600894280.db2.gz VHRQDIKNUGCDGH-UHFFFAOYSA-N -2 0 375.353 2.564 20 0 GFADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2cccc3ncccc32)c1OC ZINC000484984377 600897401 /nfs/dbraw/zinc/89/74/01/600897401.db2.gz FCZINVVSHPQAHH-UHFFFAOYSA-N -2 0 388.401 2.751 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2nc(COc3ccccc3)cs2)c[nH]1 ZINC000833306415 600977841 /nfs/dbraw/zinc/97/78/41/600977841.db2.gz REUGSIZINLPEFB-UHFFFAOYSA-N -2 0 379.419 2.549 20 0 GFADRL C[C@H]1CN(c2ccccc2[N-]S(=O)(=O)c2csc(C(=O)[O-])c2)C[C@H](C)O1 ZINC000828499807 600980484 /nfs/dbraw/zinc/98/04/84/600980484.db2.gz ISGWRUWVUGWJGG-RYUDHWBXSA-N -2 0 396.490 2.861 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc2c(c1)CCCC(=O)N2 ZINC000831945973 601204193 /nfs/dbraw/zinc/20/41/93/601204193.db2.gz NONQABYZDZJWCA-UHFFFAOYSA-N -2 0 396.446 2.531 20 0 GFADRL COc1cc(S(=O)(=O)[N-]c2ccc(C)cc2C(=O)[O-])c(Cl)cc1C(=O)[O-] ZINC000485291140 601224010 /nfs/dbraw/zinc/22/40/10/601224010.db2.gz KNTIMXTWRXMLAB-UHFFFAOYSA-N -3 0 399.808 2.854 20 0 GFADRL COc1cc(/C=C\C(=O)[O-])cc(S(=O)(=O)[N-]c2c(C)cccc2O)c1OC ZINC000831972846 601251755 /nfs/dbraw/zinc/25/17/55/601251755.db2.gz SKCSHWDJKWUKGZ-FPLPWBNLSA-N -2 0 393.417 2.616 20 0 GFADRL CCN(CC)C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000057124549 601325757 /nfs/dbraw/zinc/32/57/57/601325757.db2.gz SVOCCBRSKYMNHQ-UHFFFAOYSA-N -2 0 394.424 2.807 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)c(C(=O)[O-])c1 ZINC000042796592 601326444 /nfs/dbraw/zinc/32/64/44/601326444.db2.gz NIRQLFIYGWSYLW-UHFFFAOYSA-N -3 0 385.781 2.546 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(-c2nccc(C)n2)c1 ZINC000522365988 601330888 /nfs/dbraw/zinc/33/08/88/601330888.db2.gz MIQKDNADHOLSKN-UHFFFAOYSA-N -2 0 399.428 2.960 20 0 GFADRL Cc1ccc(Cn2nccc2[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)o1 ZINC000832935769 601360615 /nfs/dbraw/zinc/36/06/15/601360615.db2.gz MYBNXIUQHDLGTA-UHFFFAOYSA-N -2 0 389.433 2.949 20 0 GFADRL CCOC(=O)c1sc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1C ZINC000013195121 601360824 /nfs/dbraw/zinc/36/08/24/601360824.db2.gz NPNTXRXOFYXABB-UHFFFAOYSA-N -2 0 387.410 2.871 20 0 GFADRL C/C(=C/COC(=O)Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1)C(=O)[O-] ZINC000825769264 601414272 /nfs/dbraw/zinc/41/42/72/601414272.db2.gz MLUOBERVNCLETK-WQLSENKSSA-N -2 0 395.458 2.666 20 0 GFADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1cnn(Cc2ccc(Cl)cc2)c1 ZINC000833345999 601485227 /nfs/dbraw/zinc/48/52/27/601485227.db2.gz JDRZUSQRHDKLNT-UHFFFAOYSA-N -2 0 398.853 2.540 20 0 GFADRL COc1cc(OC)c([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)cc1F ZINC000832034522 601489915 /nfs/dbraw/zinc/48/99/15/601489915.db2.gz WYKYMNLKRPMFGT-YVMONPNESA-N -2 0 381.381 2.742 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC(C)C)cc1C(=O)[O-] ZINC000833026750 601576529 /nfs/dbraw/zinc/57/65/29/601576529.db2.gz JIVJMAXHJCVKAA-UHFFFAOYSA-N -3 0 383.378 2.572 20 0 GFADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)c1cc(F)cc(C(F)(F)F)c1 ZINC000833148629 601598246 /nfs/dbraw/zinc/59/82/46/601598246.db2.gz NDFQFHMKWUIEJS-UHFFFAOYSA-N -2 0 397.327 2.723 20 0 GFADRL O=C([O-])c1ccc(F)c(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c1 ZINC000063877450 601832683 /nfs/dbraw/zinc/83/26/83/601832683.db2.gz MLKDFMZEUAKZCD-UHFFFAOYSA-N -2 0 391.735 2.815 20 0 GFADRL Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc(Cl)nc3C(=O)[O-])c2)no1 ZINC000832991866 601837947 /nfs/dbraw/zinc/83/79/47/601837947.db2.gz UBKWWIKDMIKQJW-UHFFFAOYSA-N -2 0 394.796 2.592 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnn(-c3ccccc3)c2)cc(F)c1F ZINC000751146405 601838759 /nfs/dbraw/zinc/83/87/59/601838759.db2.gz RSFIEPKSVANWNQ-UHFFFAOYSA-N -2 0 379.344 2.650 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(OCCF)c2)c(F)cc1F ZINC000833306014 601856281 /nfs/dbraw/zinc/85/62/81/601856281.db2.gz IIGARIGHGARPTD-UHFFFAOYSA-N -2 0 375.324 2.812 20 0 GFADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)c2cncc(-c3ccccc3)c2)c1 ZINC000833334527 601982363 /nfs/dbraw/zinc/98/23/63/601982363.db2.gz XDBPCDQWXDXCME-UHFFFAOYSA-N -2 0 382.397 2.566 20 0 GFADRL Cc1cc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cc(C(=O)[O-])c1F ZINC000326972596 601982719 /nfs/dbraw/zinc/98/27/19/601982719.db2.gz QTMQYZRNJVIVTO-UHFFFAOYSA-N -2 0 387.772 2.985 20 0 GFADRL Cc1cc(S(=O)(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)cc(C(=O)[O-])c1F ZINC000832904451 601985027 /nfs/dbraw/zinc/98/50/27/601985027.db2.gz OHSIEBVFYXLICS-UHFFFAOYSA-N -2 0 396.396 2.743 20 0 GFADRL Cc1cc(S(=O)(=O)Nc2ccc(CCC(=O)[O-])cc2)cc(C(=O)[O-])c1F ZINC000832904426 601985136 /nfs/dbraw/zinc/98/51/36/601985136.db2.gz MYHRVTGBDLIYQY-UHFFFAOYSA-N -2 0 381.381 2.650 20 0 GFADRL Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2nnc(CCCC(=O)[O-])s2)c1C ZINC000832872162 602105082 /nfs/dbraw/zinc/10/50/82/602105082.db2.gz KJMKEPLLJGYVFE-UHFFFAOYSA-N -2 0 383.495 2.980 20 0 GFADRL O=C([O-])CCCc1nnc([N-]S(=O)(=O)c2ccc3ccccc3c2)s1 ZINC000833232328 602105928 /nfs/dbraw/zinc/10/59/28/602105928.db2.gz NCJNWQNPZIZFKX-UHFFFAOYSA-N -2 0 377.447 2.899 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Br)nc2)c(F)cc1F ZINC000833305904 602157680 /nfs/dbraw/zinc/15/76/80/602157680.db2.gz VDWFLFCRZJJRRE-UHFFFAOYSA-N -2 0 393.165 2.621 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(-c4ccccn4)nc3c2)o1 ZINC000833323305 602175875 /nfs/dbraw/zinc/17/58/75/602175875.db2.gz ALDNFTIDVQHAOA-UHFFFAOYSA-N -2 0 384.373 2.717 20 0 GFADRL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1nnc(-c2ccccc2)s1 ZINC000833318071 602307279 /nfs/dbraw/zinc/30/72/79/602307279.db2.gz FENZDDLGETYWQY-UHFFFAOYSA-N -2 0 379.394 2.843 20 0 GFADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000740107247 602646513 /nfs/dbraw/zinc/64/65/13/602646513.db2.gz KBFYDTLSEUHAIA-UHFFFAOYSA-N -2 0 390.417 2.925 20 0 GFADRL CCN(Cc1cccc([N-]S(=O)(=O)c2cccc3c2OCCO3)c1)C(=O)[O-] ZINC000739447278 602654236 /nfs/dbraw/zinc/65/42/36/602654236.db2.gz NQVLMAPKPVZRND-UHFFFAOYSA-N -2 0 392.433 2.759 20 0 GFADRL O=C([O-])N[C@@H](CCC(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1)c1ccccc1 ZINC000740541406 602670407 /nfs/dbraw/zinc/67/04/07/602670407.db2.gz YLTKEAJYLWYRLQ-INIZCTEOSA-N -2 0 394.424 2.561 20 0 GFADRL C[C@H](NC(=O)[O-])c1ccc([N-]S(=O)(=O)c2cccc3c2OCCO3)cc1 ZINC000825449594 603400489 /nfs/dbraw/zinc/40/04/89/603400489.db2.gz UMMXIBKSGNDJFO-NSHDSACASA-N -2 0 378.406 2.587 20 0 GFADRL COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000828809226 603403278 /nfs/dbraw/zinc/40/32/78/603403278.db2.gz AXXAYWFFOQQSOD-SECBINFHSA-N -2 0 384.435 2.664 20 0 GFADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000830234268 603404210 /nfs/dbraw/zinc/40/42/10/603404210.db2.gz PUKXKHYNPYSIFE-LLVKDONJSA-N -2 0 378.406 2.823 20 0 GFADRL O=C([O-])NC[C@H]1CCN(C(=O)c2cc(Br)cc(Cl)c2[O-])C1 ZINC000832588489 603544405 /nfs/dbraw/zinc/54/44/05/603544405.db2.gz BSIMLRDSYFGTGU-SSDOTTSWSA-N -2 0 377.622 2.538 20 0 GFADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CCC(N(C)C(=O)[O-])CC3)n2)cc1 ZINC000824464929 603582643 /nfs/dbraw/zinc/58/26/43/603582643.db2.gz XJZUUNQPYAQJEY-UHFFFAOYSA-N -2 0 386.452 2.916 20 0 GFADRL COc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2C)cc1NC(=O)[O-] ZINC000829484567 603835940 /nfs/dbraw/zinc/83/59/40/603835940.db2.gz TXNKBHSUIVHLPI-UHFFFAOYSA-N -2 0 380.378 2.593 20 0 GFADRL O=C([O-])Nc1cc2c(cc1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)OCO2 ZINC000832828116 603889238 /nfs/dbraw/zinc/88/92/38/603889238.db2.gz AUXFWJUXBJEUNJ-UHFFFAOYSA-N -2 0 390.295 2.723 20 0 GFADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000829855043 604314811 /nfs/dbraw/zinc/31/48/11/604314811.db2.gz ONJPTDUVLCEROU-UHFFFAOYSA-N -2 0 376.390 2.535 20 0 GFADRL C[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1)C1CCN(C(=O)[O-])CC1 ZINC000824680148 604383355 /nfs/dbraw/zinc/38/33/55/604383355.db2.gz RNTHRIGUNIBGJZ-LLVKDONJSA-N -2 0 388.873 2.561 20 0 GFADRL C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824680288 604394426 /nfs/dbraw/zinc/39/44/26/604394426.db2.gz TXAYVAHBHCQJDE-NWDGAFQWSA-N -2 0 388.873 2.561 20 0 GFADRL Cc1c(C(F)(F)F)cccc1S(=O)(=O)[N-]C(=O)[C@H](CC(C)C)NC(=O)[O-] ZINC000832853479 604396905 /nfs/dbraw/zinc/39/69/05/604396905.db2.gz HXZJYVKSJWDRQU-NSHDSACASA-N -2 0 396.387 2.501 20 0 GFADRL C[C@H](CC(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824678942 604416888 /nfs/dbraw/zinc/41/68/88/604416888.db2.gz GYROKDSWUJXRNK-IJEWVQPXSA-N -2 0 382.482 2.610 20 0 GFADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)[N-]c2cncc3ccccc32)c1 ZINC000833715774 604747302 /nfs/dbraw/zinc/74/73/02/604747302.db2.gz YKTPWKYMNDLPFC-UHFFFAOYSA-N -2 0 386.385 2.520 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2)c(OC)c1C(=O)[O-] ZINC000833734774 604861919 /nfs/dbraw/zinc/86/19/19/604861919.db2.gz VQAPXUIEYQZGPB-UHFFFAOYSA-N -2 0 389.788 2.995 20 0 GFADRL Cc1ccc(F)c(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1C(=O)[O-] ZINC000832935678 604890386 /nfs/dbraw/zinc/89/03/86/604890386.db2.gz IQPMHFJBEPFPAB-UHFFFAOYSA-N -2 0 387.772 2.985 20 0 GFADRL O=C([O-])COc1ccc(NC(=O)c2nn(-c3ccccc3)cc2[O-])cc1Cl ZINC000833258482 604941165 /nfs/dbraw/zinc/94/11/65/604941165.db2.gz QFURHVZZQXBLGQ-UHFFFAOYSA-N -2 0 387.779 2.947 20 0 GFADRL CC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])nc2)ccc1Br ZINC000833401127 605166524 /nfs/dbraw/zinc/16/65/24/605166524.db2.gz QXUMORYULQLUCP-UHFFFAOYSA-N -2 0 399.222 2.546 20 0 GFADRL O=C([O-])Nc1ccc(CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1 ZINC000834254966 606050680 /nfs/dbraw/zinc/05/06/80/606050680.db2.gz CVRNOAVHJINLLQ-QGZVFWFLSA-N -2 0 381.388 2.612 20 0 GFADRL O=C([O-])COc1ccc(NC(=O)c2ccc(CNC(=O)[O-])o2)c2ccccc12 ZINC000834067247 606054786 /nfs/dbraw/zinc/05/47/86/606054786.db2.gz YHTSFEPHKZYHJI-UHFFFAOYSA-N -2 0 384.344 2.916 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2Cl)cnc1Cl ZINC000826271313 609530700 /nfs/dbraw/zinc/53/07/00/609530700.db2.gz MSGUIUDZZSLGCD-UHFFFAOYSA-N -2 0 385.236 2.678 20 0 GFADRL CC(C)NC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC000024427886 654543811 /nfs/dbraw/zinc/54/38/11/654543811.db2.gz RMRFEDKYRVBHKY-UHFFFAOYSA-N -2 0 383.451 2.777 20 0 GFADRL COc1cc([N-]S(=O)(=O)c2cccs2)c(C(=O)[O-])cc1OC(F)F ZINC000060059952 654826591 /nfs/dbraw/zinc/82/65/91/654826591.db2.gz AJUOXTGVUFQSRM-UHFFFAOYSA-N -2 0 379.362 2.857 20 0 GFADRL CCc1ccc(S(=O)(=O)[N-]c2c(C)csc2C(=O)OC)cc1C(=O)[O-] ZINC000275394544 655233891 /nfs/dbraw/zinc/23/38/91/655233891.db2.gz AVCSWZQFUCVMKK-UHFFFAOYSA-N -2 0 383.447 2.905 20 0 GFADRL COC[C@@H](C)Oc1ccc(Cl)cc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000276078488 655261036 /nfs/dbraw/zinc/26/10/36/655261036.db2.gz NZIQBYHZDLMFSZ-SECBINFHSA-N -2 0 388.829 2.581 20 0 GFADRL O=C([N-][N-]S(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1)NCc1ccco1 ZINC000187342496 655373678 /nfs/dbraw/zinc/37/36/78/655373678.db2.gz VKERLQWCVKPHRO-UHFFFAOYSA-N -2 0 397.762 2.645 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3)c1Cl ZINC000753781673 655858707 /nfs/dbraw/zinc/85/87/07/655858707.db2.gz YMUHJDGMFACOMF-UHFFFAOYSA-N -2 0 380.809 2.642 20 0 GFADRL Cc1cccc([N-]S(=O)(=O)c2cc(C)c(Cl)c(C(=O)[O-])c2)c1C(N)=O ZINC000759089242 655946894 /nfs/dbraw/zinc/94/68/94/655946894.db2.gz HVVCCAAJPYFBEY-UHFFFAOYSA-N -2 0 382.825 2.555 20 0 GFADRL COC(=O)c1csc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)c1C ZINC000776281950 656726970 /nfs/dbraw/zinc/72/69/70/656726970.db2.gz LLXLBZIADHNTQE-UHFFFAOYSA-N -2 0 387.410 2.790 20 0 GFADRL C[C@@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000776638643 656773494 /nfs/dbraw/zinc/77/34/94/656773494.db2.gz PLMDJPAPYDCWDH-RWBAJPLHSA-N -2 0 387.326 2.694 20 0 GFADRL O=C([O-])c1c(F)cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2)cc1F ZINC000782258396 657121234 /nfs/dbraw/zinc/12/12/34/657121234.db2.gz XYBMIWDZASOXKE-UHFFFAOYSA-N -2 0 382.266 2.878 20 0 GFADRL O=S(=O)(C[C@H]1CCCOC1)[N-]c1cc(Br)cc(Cl)c1[O-] ZINC000795346833 658809037 /nfs/dbraw/zinc/80/90/37/658809037.db2.gz YHAALEFPNWSJOE-QMMMGPOBSA-N -2 0 384.679 2.976 20 0 GFADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000798166074 659077894 /nfs/dbraw/zinc/07/78/94/659077894.db2.gz OYJHBVJQCHWZBZ-UHFFFAOYSA-N -3 0 385.394 2.745 20 0 GFADRL COc1cc(S(=O)(=O)[N-]c2ccccc2CCCC(=O)[O-])cnc1Cl ZINC000798410158 659100721 /nfs/dbraw/zinc/10/07/21/659100721.db2.gz NUEHJCKRGFODRH-UHFFFAOYSA-N -2 0 384.841 2.952 20 0 GFADRL O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1cccc(Cl)c1F ZINC000852734795 661872727 /nfs/dbraw/zinc/87/27/27/661872727.db2.gz DFIFFHIPYQZDQM-ZYHUDNBSSA-N -2 0 382.741 2.575 20 0 GFADRL O=C([O-])[C@@H](C(=O)[N-]S(=O)(=O)c1cc(Cl)sc1Cl)C1CCCC1 ZINC000863953159 662350661 /nfs/dbraw/zinc/35/06/61/662350661.db2.gz LXBVDLYSSNPDEN-SECBINFHSA-N -2 0 386.278 2.751 20 0 GFADRL CC(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)[C@H](C)c1ccc(Cl)cc1Cl ZINC000863957623 662351072 /nfs/dbraw/zinc/35/10/72/662351072.db2.gz QUCKWZISDSCCDH-PRHODGIISA-N -2 0 382.265 2.857 20 0 GFADRL O=C([O-])CCCCC(=O)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000863961002 662351262 /nfs/dbraw/zinc/35/12/62/662351262.db2.gz HPNXMAOSSZIAPS-UHFFFAOYSA-N -2 0 398.662 2.552 20 0 GFADRL O=C([O-])CCCNC(=O)c1cc(Br)c([O-])c(Br)c1 ZINC000263572305 553189436 /nfs/dbraw/zinc/18/94/36/553189436.db2.gz KUIANNHEOSTPCG-UHFFFAOYSA-N -2 0 381.020 2.512 20 0 GFADRL O=C([O-])c1cc(Cl)ccc1[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000044242846 551143823 /nfs/dbraw/zinc/14/38/23/551143823.db2.gz XRDIJTLMYYNEMC-UHFFFAOYSA-N -2 0 391.630 2.997 20 0 GFADRL CNC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000057500464 551180967 /nfs/dbraw/zinc/18/09/67/551180967.db2.gz MKOGSTWWLUZURB-UHFFFAOYSA-N -2 0 382.825 2.507 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2ccn(CC(F)(F)F)n2)c(C)c1C(=O)[O-] ZINC000156370416 551521263 /nfs/dbraw/zinc/52/12/63/551521263.db2.gz BGSKPFAZHOAJMH-UHFFFAOYSA-N -2 0 377.344 2.561 20 0 GFADRL Cc1cccc(S(=O)(=O)[N-]c2ccc(F)c(NS(C)(=O)=O)c2)c1Cl ZINC000179966022 552208005 /nfs/dbraw/zinc/20/80/05/552208005.db2.gz COMROXUTGWIKDN-UHFFFAOYSA-N -2 0 392.861 2.960 20 0 GFADRL O=C([O-])[C@@H](NS(=O)(=O)C[C@@H]1CCCCC1(F)F)c1c(F)cccc1F ZINC000296881502 563305990 /nfs/dbraw/zinc/30/59/90/563305990.db2.gz HYMVEUXJBQFGPW-ZANVPECISA-N -2 0 383.363 2.835 20 0 GFADRL O=C([O-])[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Br)cc2F)CC1 ZINC000319238053 563445088 /nfs/dbraw/zinc/44/50/88/563445088.db2.gz PRIGLGIVJFELKU-MGCOHNPYSA-N -2 0 394.262 2.758 20 0 GFADRL COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)ccc1Cl ZINC000327318091 563458004 /nfs/dbraw/zinc/45/80/04/563458004.db2.gz JHORCZODXLUVSC-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL Cc1c(Cl)cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2F)cc1C(=O)[O-] ZINC000427302225 563464729 /nfs/dbraw/zinc/46/47/29/563464729.db2.gz OIKHWTPMKOIUGI-UHFFFAOYSA-N -2 0 387.772 2.985 20 0 GFADRL Cn1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c1C(F)(F)F ZINC000436167874 563666429 /nfs/dbraw/zinc/66/64/29/563666429.db2.gz WJWZHNDWPIMLFL-UHFFFAOYSA-N -2 0 383.735 2.591 20 0 GFADRL O=C([O-])c1ccc(O)c(S(=O)(=O)[N-]c2cccc(CC(F)(F)F)c2)c1 ZINC000436995149 563687793 /nfs/dbraw/zinc/68/77/93/563687793.db2.gz PIMDAFZMMRKCMH-UHFFFAOYSA-N -2 0 375.324 2.996 20 0 GFADRL COCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000506675963 564209191 /nfs/dbraw/zinc/20/91/91/564209191.db2.gz NLKZSVUFFUHNRE-UHFFFAOYSA-N -2 0 385.825 2.994 20 0 GFADRL C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])c2cccc(Cl)c2O1 ZINC000473429129 564246960 /nfs/dbraw/zinc/24/69/60/564246960.db2.gz BNLGILBHSIUHNZ-SECBINFHSA-N -2 0 383.809 2.720 20 0 GFADRL Cc1nc(C(F)(F)F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000509389112 564295890 /nfs/dbraw/zinc/29/58/90/564295890.db2.gz CVQZNWHMPJPWBD-UHFFFAOYSA-N -2 0 376.312 2.613 20 0 GFADRL Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000475751051 564318139 /nfs/dbraw/zinc/31/81/39/564318139.db2.gz ROEXAJZDMDEXOQ-UHFFFAOYSA-N -3 0 375.811 2.907 20 0 GFADRL Cc1noc2ncc([N-]S(=O)(=O)c3cc(Cl)c(C)c(C(=O)[O-])c3)cc12 ZINC000479242199 564432759 /nfs/dbraw/zinc/43/27/59/564432759.db2.gz OCFAWYZCNSOVTB-UHFFFAOYSA-N -2 0 381.797 2.992 20 0 GFADRL CSCc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000546072329 564443025 /nfs/dbraw/zinc/44/30/25/564443025.db2.gz OJIUPSVNPFJCOE-UHFFFAOYSA-N -2 0 381.431 2.747 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(=O)[O-])c2)c(Cl)cc1F ZINC000569780375 564477680 /nfs/dbraw/zinc/47/76/80/564477680.db2.gz LBVNZOYSTBIWHN-UHFFFAOYSA-N -3 0 387.772 2.985 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(NC(=O)NC3CC3)cc2)cs1 ZINC000515690149 564485715 /nfs/dbraw/zinc/48/57/15/564485715.db2.gz CAWOVXIIAPQCED-UHFFFAOYSA-N -2 0 381.435 2.531 20 0 GFADRL O=C([O-])c1ccc(NS(=O)(=O)Cc2cc(Cl)ccc2F)cc1C(=O)[O-] ZINC000547545381 564492342 /nfs/dbraw/zinc/49/23/42/564492342.db2.gz CYPNLJHJKXBVGQ-UHFFFAOYSA-N -2 0 387.772 2.817 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2SC)c(OC)c1 ZINC000547544925 564492349 /nfs/dbraw/zinc/49/23/49/564492349.db2.gz DYCDSCGJSODEKM-UHFFFAOYSA-N -2 0 383.447 2.925 20 0 GFADRL CC(C)n1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2C(=O)[O-])cn1 ZINC000547559286 564494444 /nfs/dbraw/zinc/49/44/44/564494444.db2.gz OPDMDTDQKIYBMP-UHFFFAOYSA-N -2 0 377.344 2.982 20 0 GFADRL O=C([O-])c1cc(F)c(F)cc1[N-]S(=O)(=O)c1c[nH]c2nccc(Cl)c21 ZINC000548194044 564535040 /nfs/dbraw/zinc/53/50/40/564535040.db2.gz NQOLCSJZJKYTKW-UHFFFAOYSA-N -2 0 387.751 2.994 20 0 GFADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(CSC)c1 ZINC000518833278 564563941 /nfs/dbraw/zinc/56/39/41/564563941.db2.gz JGKUABTZRVBSMU-UHFFFAOYSA-N -2 0 381.475 2.986 20 0 GFADRL COc1cc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c(OC)cc1Cl ZINC000485291831 564611432 /nfs/dbraw/zinc/61/14/32/564611432.db2.gz NXXBJTJKVHMRPJ-UHFFFAOYSA-N -2 0 389.788 2.995 20 0 GFADRL COc1cc(F)c(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C ZINC000573533775 564642235 /nfs/dbraw/zinc/64/22/35/564642235.db2.gz TXOUTOKJYVGRNF-UHFFFAOYSA-N -2 0 375.324 2.920 20 0 GFADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)[O-])c(F)c1 ZINC000526997290 564725494 /nfs/dbraw/zinc/72/54/94/564725494.db2.gz NIKBERVWPSGJPD-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL C[S@@](=O)Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000489731453 564750967 /nfs/dbraw/zinc/75/09/67/564750967.db2.gz AYVVFPBEPBFYSI-HSZRJFAPSA-N -2 0 387.866 2.718 20 0 GFADRL COc1cc([N-]S(=O)(=O)c2c(F)cccc2Cl)c(C(=O)[O-])cc1OC ZINC000463527916 564884333 /nfs/dbraw/zinc/88/43/33/564884333.db2.gz VACPDNMQIQTOHA-UHFFFAOYSA-N -2 0 389.788 2.995 20 0 GFADRL COC(=O)c1csc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000532271088 564933209 /nfs/dbraw/zinc/93/32/09/564933209.db2.gz KIFYWAAVQVWLGB-UHFFFAOYSA-N -2 0 375.811 2.687 20 0 GFADRL COc1ccccc1[N-]S(=O)(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC000534234787 564983078 /nfs/dbraw/zinc/98/30/78/564983078.db2.gz IAYWTJMNKKCHOM-UHFFFAOYSA-N -2 0 386.223 2.957 20 0 GFADRL CCn1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(F)(F)F)c2)nc1C ZINC000504229738 565036405 /nfs/dbraw/zinc/03/64/05/565036405.db2.gz IUOFLHKTEQCVSD-UHFFFAOYSA-N -2 0 377.344 2.729 20 0 GFADRL CCn1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2NC(C)=O)cc1C(=O)[O-] ZINC000504299117 565037427 /nfs/dbraw/zinc/03/74/27/565037427.db2.gz LHAXNBXNQIYLMA-UHFFFAOYSA-N -2 0 385.829 2.619 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2ccc(Br)o2)c(C(=O)[O-])c1 ZINC000504666796 565043040 /nfs/dbraw/zinc/04/30/40/565043040.db2.gz ZECXACJVKQJWGY-UHFFFAOYSA-N -2 0 376.184 2.550 20 0 GFADRL CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)s1 ZINC000590565987 565191913 /nfs/dbraw/zinc/19/19/13/565191913.db2.gz YOVAHVBGWBSGBE-SNVBAGLBSA-N -2 0 382.463 2.753 20 0 GFADRL O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)c1ccc(Br)cc1[O-] ZINC000591830516 565241269 /nfs/dbraw/zinc/24/12/69/565241269.db2.gz RKGMFANOCSZMEP-UHFFFAOYSA-N -2 0 376.166 2.750 20 0 GFADRL COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(Cl)c1 ZINC000604511834 565930779 /nfs/dbraw/zinc/93/07/79/565930779.db2.gz RMBMXUDTVXIVGV-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL COC(=O)c1sccc1S(=O)(=O)[N-]c1c(C)c(Cl)ccc1C(=O)[O-] ZINC000612648596 566168772 /nfs/dbraw/zinc/16/87/72/566168772.db2.gz LQRHAMCCPNPKGE-UHFFFAOYSA-N -2 0 389.838 2.996 20 0 GFADRL Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)N(C)CCC(=O)[O-])c1 ZINC000262940007 597009073 /nfs/dbraw/zinc/00/90/73/597009073.db2.gz HOTQXKGPIIQZRM-UHFFFAOYSA-N -2 0 390.461 2.651 20 0 GFADRL CC(C)NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1 ZINC000736476072 599737328 /nfs/dbraw/zinc/73/73/28/599737328.db2.gz BDMCZXZJRBPWLY-UHFFFAOYSA-N -2 0 386.813 2.570 20 0 GFADRL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c(OC[C@H]2CCCO2)c1 ZINC000738632752 599738874 /nfs/dbraw/zinc/73/88/74/599738874.db2.gz KDVCRVSQAIQLNZ-GFCCVEGCSA-N -2 0 381.406 2.645 20 0 GFADRL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c(OC[C@@H]2CCCO2)c1 ZINC000738632753 599739143 /nfs/dbraw/zinc/73/91/43/599739143.db2.gz KDVCRVSQAIQLNZ-LBPRGKRZSA-N -2 0 381.406 2.645 20 0 GFADRL Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(C)c(OCC(=O)[O-])c1C ZINC000738539717 599769155 /nfs/dbraw/zinc/76/91/55/599769155.db2.gz GRRAZUGZKFLIHU-UHFFFAOYSA-N -2 0 393.417 2.574 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ncc(Cc3ccc(F)cc3)s2)o1 ZINC000740186758 599802814 /nfs/dbraw/zinc/80/28/14/599802814.db2.gz SMFRNBTUSDSJAT-UHFFFAOYSA-N -2 0 382.394 2.965 20 0 GFADRL O=C([O-])CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(Cl)cc1 ZINC000739744272 599870957 /nfs/dbraw/zinc/87/09/57/599870957.db2.gz ZPYFQMJRAIBQCY-UHFFFAOYSA-N -2 0 382.825 2.809 20 0 GFADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(SC)cc1 ZINC000737688935 599878818 /nfs/dbraw/zinc/87/88/18/599878818.db2.gz QIXJIZQXZPQUPC-UHFFFAOYSA-N -2 0 381.431 2.694 20 0 GFADRL Cn1ccnc1-c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1 ZINC000739043715 599886056 /nfs/dbraw/zinc/88/60/56/599886056.db2.gz UFSLBGYUACXYGR-UHFFFAOYSA-N -2 0 375.381 2.725 20 0 GFADRL COc1cc(NC(=O)CC2(C(=O)[O-])Cc3ccccc3C2)c(C(=O)[O-])cc1OC ZINC000737892398 599941460 /nfs/dbraw/zinc/94/14/60/599941460.db2.gz MNZJSRFYYNTMEG-UHFFFAOYSA-N -2 0 399.399 2.600 20 0 GFADRL Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Oc1ccc(Cl)cc1C(=O)[O-] ZINC000738872704 599983026 /nfs/dbraw/zinc/98/30/26/599983026.db2.gz LULHHDYBQLZZIV-UHFFFAOYSA-N -2 0 375.768 2.551 20 0 GFADRL CC[C@H](C)N1C(=O)N[C@@H](c2cccc(O[C@@H](C)C(=O)[O-])c2)C(C(=O)[O-])=C1C ZINC000736885040 599984803 /nfs/dbraw/zinc/98/48/03/599984803.db2.gz WBLMAKHOZMTCJP-PKWAYOAASA-N -2 0 376.409 2.762 20 0 GFADRL O=C([O-])CC[C@H](NC(=O)c1ccc2c(=O)[nH]c(=S)[n-]c2c1)c1ccccc1 ZINC000739662737 599986084 /nfs/dbraw/zinc/98/60/84/599986084.db2.gz XPHZMXAEMOILNC-AWEZNQCLSA-N -2 0 383.429 2.960 20 0 GFADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccnn1Cc1ccccc1F ZINC000738347153 599998317 /nfs/dbraw/zinc/99/83/17/599998317.db2.gz BRNYRVUHRVSOAF-UHFFFAOYSA-N -2 0 389.408 2.878 20 0 GFADRL O=C([O-])c1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])cc1 ZINC000740154586 600058333 /nfs/dbraw/zinc/05/83/33/600058333.db2.gz HBQWSSSOIXTQML-UHFFFAOYSA-N -2 0 389.307 2.903 20 0 GFADRL COc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2ccccc2C)c(OC)c1OC ZINC000589429315 600094277 /nfs/dbraw/zinc/09/42/77/600094277.db2.gz ZURQQGJPNZRGTR-UHFFFAOYSA-N -2 0 381.406 2.520 20 0 GFADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)s1 ZINC000740115386 600122575 /nfs/dbraw/zinc/12/25/75/600122575.db2.gz XQTRZRADDANILD-UHFFFAOYSA-N -2 0 397.327 2.723 20 0 GFADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCCc2cc(C(=O)[O-])ccc21 ZINC000060376812 600169686 /nfs/dbraw/zinc/16/96/86/600169686.db2.gz LSASABGWMATWJE-UHFFFAOYSA-N -2 0 375.402 2.533 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(-n3cccn3)c2)c(F)cc1F ZINC000740089615 600232769 /nfs/dbraw/zinc/23/27/69/600232769.db2.gz GWPWKPFQWKHKIF-UHFFFAOYSA-N -2 0 379.344 2.650 20 0 GFADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccnn2-c2cccc(Cl)c2)cc1 ZINC000739886667 600244408 /nfs/dbraw/zinc/24/44/08/600244408.db2.gz UIBYQCPABBLQIV-UHFFFAOYSA-N -2 0 391.836 2.954 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(-c3cccs3)[nH]n2)c(F)cc1F ZINC000740087816 600360859 /nfs/dbraw/zinc/36/08/59/600360859.db2.gz PNTJKHHDQZJLQD-UHFFFAOYSA-N -2 0 385.373 2.915 20 0 GFADRL C[C@H]1COCCN1c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1 ZINC000736823932 600396228 /nfs/dbraw/zinc/39/62/28/600396228.db2.gz YXVLVWHCFCYPPJ-LBPRGKRZSA-N -2 0 394.424 2.550 20 0 GFADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1ccccc1SCc1cccs1 ZINC000739696157 600461081 /nfs/dbraw/zinc/46/10/81/600461081.db2.gz HFBJZUPOUHKETL-UHFFFAOYSA-N -2 0 399.515 2.965 20 0 GFADRL COC(=O)c1sccc1S(=O)(=O)[N-]c1cc(Cl)cc(C(=O)[O-])c1 ZINC000391386653 600635985 /nfs/dbraw/zinc/63/59/85/600635985.db2.gz OOQHCRBXYXMBQC-UHFFFAOYSA-N -2 0 375.811 2.687 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Oc3ccc(F)cc3)nc2)c[nH]1 ZINC000509556700 600675589 /nfs/dbraw/zinc/67/55/89/600675589.db2.gz NOLOIWMDXRCRTG-UHFFFAOYSA-N -2 0 377.353 2.840 20 0 GFADRL Cc1cccc(C[C@@H](CNC(=O)c2nn(-c3ccccc3)cc2[O-])C(=O)[O-])c1 ZINC000832969827 600708214 /nfs/dbraw/zinc/70/82/14/600708214.db2.gz PCIYSYBANVDKRU-INIZCTEOSA-N -2 0 379.416 2.560 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2cnc(-c3cccc(O)c3)nc2)cc1C(=O)[O-] ZINC000057783736 600813708 /nfs/dbraw/zinc/81/37/08/600813708.db2.gz OFQYAJRTJSCANV-UHFFFAOYSA-N -2 0 385.401 2.657 20 0 GFADRL Cc1nc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)sc1-c1ccccc1 ZINC000833002965 600828530 /nfs/dbraw/zinc/82/85/30/600828530.db2.gz JMUGRRIODLAYAV-UHFFFAOYSA-N -2 0 377.447 2.956 20 0 GFADRL Cc1nc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)ccc1Br ZINC000097992176 600829006 /nfs/dbraw/zinc/82/90/06/600829006.db2.gz UHLUXPDCEIZPJF-UHFFFAOYSA-N -2 0 377.241 2.713 20 0 GFADRL CCn1nc(C)c(S(=O)(=O)[N-]c2ccc(OCCCC(=O)[O-])cc2)c1C ZINC000737312489 600894421 /nfs/dbraw/zinc/89/44/21/600894421.db2.gz RYEPVNIYEOTMLI-UHFFFAOYSA-N -2 0 381.454 2.564 20 0 GFADRL Cc1ccc(-n2[n-]c(C(=O)N(CC(=O)[O-])Cc3ccc(Cl)cc3)cc2=O)cc1 ZINC000832909429 600918653 /nfs/dbraw/zinc/91/86/53/600918653.db2.gz DGGUGUULNZASCJ-UHFFFAOYSA-N -2 0 399.834 2.854 20 0 GFADRL C[C@@H](CCc1ccccc1F)C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000827428011 600943610 /nfs/dbraw/zinc/94/36/10/600943610.db2.gz QDSVIKXGVCCGGW-ZDUSSCGKSA-N -2 0 393.436 2.739 20 0 GFADRL C[C@H](CCc1ccccc1F)C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000827428124 600944676 /nfs/dbraw/zinc/94/46/76/600944676.db2.gz SGOJRMZIRFJDCO-GFCCVEGCSA-N -2 0 379.409 2.598 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])nc1 ZINC000832419581 600985800 /nfs/dbraw/zinc/98/58/00/600985800.db2.gz PGICUZWRZGPHQL-UHFFFAOYSA-N -2 0 376.312 2.608 20 0 GFADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccc(Br)cc2O)c1 ZINC000740144980 601116996 /nfs/dbraw/zinc/11/69/96/601116996.db2.gz SKBKOOLTPHFOPN-UHFFFAOYSA-N -2 0 390.186 2.793 20 0 GFADRL COc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)c(Cl)cc1C(=O)[O-] ZINC000832026115 601126680 /nfs/dbraw/zinc/12/66/80/601126680.db2.gz GZKCKCYYYFEFKH-UHFFFAOYSA-N -2 0 385.781 2.546 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc(-c2cc[nH]n2)cc1 ZINC000831945027 601203114 /nfs/dbraw/zinc/20/31/14/601203114.db2.gz DFCARCLSYUMBQJ-UHFFFAOYSA-N -2 0 379.419 2.646 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccccc1-c1noc(C)n1 ZINC000831946326 601203164 /nfs/dbraw/zinc/20/31/64/601203164.db2.gz UJPGWYWGTTUSLM-UHFFFAOYSA-N -2 0 395.418 2.614 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(CN(C)C(=O)[O-])cc2)c1F ZINC000832868272 601224502 /nfs/dbraw/zinc/22/45/02/601224502.db2.gz KZICTZBMFVLVER-UHFFFAOYSA-N -3 0 396.396 2.743 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCC3)c2C)cc1C(=O)[O-] ZINC000833029639 601233304 /nfs/dbraw/zinc/23/33/04/601233304.db2.gz KFEUDQBTFNTFIV-UHFFFAOYSA-N -2 0 392.433 2.631 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2ccc(CNC(=O)OC(C)C)cc2)cc1C(=O)[O-] ZINC000833029768 601234214 /nfs/dbraw/zinc/23/42/14/601234214.db2.gz MDXUTZXRTIRIKN-UHFFFAOYSA-N -2 0 396.421 2.722 20 0 GFADRL CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000830232465 601251054 /nfs/dbraw/zinc/25/10/54/601251054.db2.gz XVKWQWSFGAAFBH-BJMVGYQFSA-N -2 0 375.402 2.846 20 0 GFADRL COCCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000831767599 601326536 /nfs/dbraw/zinc/32/65/36/601326536.db2.gz PEPWCEMYEGMISM-POHAHGRESA-N -2 0 391.445 2.919 20 0 GFADRL Cc1ccc(NS(=O)(=O)c2ccc(C)c(OCC(=O)[O-])c2C)cc1C(=O)[O-] ZINC000438725221 601334208 /nfs/dbraw/zinc/33/42/08/601334208.db2.gz NUASSYJBVKPJHS-UHFFFAOYSA-N -2 0 393.417 2.574 20 0 GFADRL O=C([O-])c1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc(OC(F)F)cc1 ZINC000833345215 601384658 /nfs/dbraw/zinc/38/46/58/601384658.db2.gz SPVLDONEVJQNAZ-UHFFFAOYSA-N -2 0 378.740 2.835 20 0 GFADRL COc1ccc(CNC(=O)c2nn(-c3cc(C)ccc3F)cc2[O-])cc1C(=O)[O-] ZINC000832342769 601386659 /nfs/dbraw/zinc/38/66/59/601386659.db2.gz XWQMVONROQMPRJ-UHFFFAOYSA-N -2 0 399.378 2.662 20 0 GFADRL O=C([O-])Cc1csc(NC(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])n1 ZINC000833269182 601387608 /nfs/dbraw/zinc/38/76/08/601387608.db2.gz LDOSWTYDTSESSH-UHFFFAOYSA-N -2 0 378.797 2.567 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)ncc1Br ZINC000320094504 601395850 /nfs/dbraw/zinc/39/58/50/601395850.db2.gz YXQPITCUTUHVPQ-UHFFFAOYSA-N -2 0 385.239 2.960 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)ncc1Br ZINC000125947637 601395868 /nfs/dbraw/zinc/39/58/68/601395868.db2.gz GMKPYTDAFBLUEH-UHFFFAOYSA-N -2 0 377.241 2.713 20 0 GFADRL O=C([O-])[C@H](Cc1c[nH]c2ccc(Br)cc12)[N-]C(=O)C(F)(F)F ZINC000833164693 601442813 /nfs/dbraw/zinc/44/28/13/601442813.db2.gz VLIKCGHJXLDHFY-JTQLQIEISA-N -2 0 379.132 2.605 20 0 GFADRL CC(C)c1ccc(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)c(C(=O)[O-])c1 ZINC000827124875 601474855 /nfs/dbraw/zinc/47/48/55/601474855.db2.gz SKCFCABLKGSOAN-UHFFFAOYSA-N -2 0 377.418 2.936 20 0 GFADRL Cc1nnc(-c2ccc([N-]S(=O)(=O)c3ccc(Cl)nc3C(=O)[O-])cc2)o1 ZINC000833017622 601484127 /nfs/dbraw/zinc/48/41/27/601484127.db2.gz QHTRXGBHCWXXFR-UHFFFAOYSA-N -2 0 394.796 2.592 20 0 GFADRL Cc1cccc(S(=O)(=O)[N-]c2cc(Br)ccc2O)c1C(=O)[O-] ZINC000832972452 601575281 /nfs/dbraw/zinc/57/52/81/601575281.db2.gz CNMHOTYJJRZTGD-UHFFFAOYSA-N -2 0 386.223 2.962 20 0 GFADRL CC(C)c1cc([N-]S(=O)(=O)c2ccc(Br)c(C(=O)[O-])c2)n[nH]1 ZINC000388334710 601629279 /nfs/dbraw/zinc/62/92/79/601629279.db2.gz LCAHKYYKZKXAIB-UHFFFAOYSA-N -2 0 388.243 2.795 20 0 GFADRL CCc1ccccc1-n1cc([O-])c(C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)n1 ZINC000830269912 601756472 /nfs/dbraw/zinc/75/64/72/601756472.db2.gz HQBXBLUKIMHBDM-HNNXBMFYSA-N -2 0 377.400 2.969 20 0 GFADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ccccc1Oc1ccncc1 ZINC000833345415 601769328 /nfs/dbraw/zinc/76/93/28/601769328.db2.gz BECHSWNVOMJSGO-UHFFFAOYSA-N -2 0 377.403 2.829 20 0 GFADRL Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1nc(CCCC(=O)[O-])cs1 ZINC000327523724 601770723 /nfs/dbraw/zinc/77/07/23/601770723.db2.gz IPGYQODFLAFYGN-UHFFFAOYSA-N -2 0 385.423 2.568 20 0 GFADRL COC(=O)c1nscc1S(=O)(=O)[N-]c1ccc(C(C)C)cc1C(=O)[O-] ZINC000831470665 601838510 /nfs/dbraw/zinc/83/85/10/601838510.db2.gz KFWFMJMJINLNLC-UHFFFAOYSA-N -2 0 384.435 2.552 20 0 GFADRL Cc1cc(C(=O)[O-])c2sc([N-]S(=O)(=O)Cc3cccc(F)c3)nc2n1 ZINC000832867323 601847970 /nfs/dbraw/zinc/84/79/70/601847970.db2.gz MFCIBHLICNNETA-UHFFFAOYSA-N -2 0 381.410 2.779 20 0 GFADRL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1nc(-c2ccccc2)ns1 ZINC000833294458 601848207 /nfs/dbraw/zinc/84/82/07/601848207.db2.gz QVMJBMSXSIRYIW-UHFFFAOYSA-N -2 0 379.394 2.843 20 0 GFADRL O=C([O-])c1nc(Cl)ccc1S(=O)(=O)[N-]c1cc(F)ccc1OC(F)F ZINC000833344706 601856351 /nfs/dbraw/zinc/85/63/51/601856351.db2.gz GQIWAMVSTIJTDT-UHFFFAOYSA-N -2 0 396.730 2.975 20 0 GFADRL COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1ccc(N(C)C(=O)[O-])cc1 ZINC000831226183 601859920 /nfs/dbraw/zinc/85/99/20/601859920.db2.gz GYVLEJCDCGKIRJ-UHFFFAOYSA-N -2 0 382.369 2.527 20 0 GFADRL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1cnn(-c2ccccc2F)c1 ZINC000833295107 601864784 /nfs/dbraw/zinc/86/47/84/601864784.db2.gz ZZIWDKUBKOYZOI-UHFFFAOYSA-N -2 0 379.344 2.650 20 0 GFADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)N1CCCc2c(C(=O)[O-])cccc21 ZINC000832852484 601983794 /nfs/dbraw/zinc/98/37/94/601983794.db2.gz ZYOFZTBZWSGDQN-UHFFFAOYSA-N -2 0 375.402 2.533 20 0 GFADRL Cc1cc(S(=O)(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)cc(C(=O)[O-])c1F ZINC000370566321 601985602 /nfs/dbraw/zinc/98/56/02/601985602.db2.gz VAPLBVNWRGJFRD-NSHDSACASA-N -2 0 393.392 2.600 20 0 GFADRL Cc1nc(C)n(-c2ccccc2[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)n1 ZINC000763303450 601988999 /nfs/dbraw/zinc/98/89/99/601988999.db2.gz NRMKNXLQLFGZQG-UHFFFAOYSA-N -2 0 390.396 2.522 20 0 GFADRL CC1=C(C(=O)[O-])[C@@H](c2cccc(-n3cccn3)c2)NC(=O)N1CCCCC(=O)[O-] ZINC000828134594 602111316 /nfs/dbraw/zinc/11/13/16/602111316.db2.gz IHILMVNNCXJPCU-GOSISDBHSA-N -2 0 398.419 2.552 20 0 GFADRL Cc1cc(S(=O)(=O)Nc2cc(C(=O)[O-])c(F)cc2F)cc(C(=O)[O-])c1C ZINC000832903814 602112164 /nfs/dbraw/zinc/11/21/64/602112164.db2.gz YAASHSLJRVENLZ-UHFFFAOYSA-N -2 0 385.344 2.779 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Br)nc2)cc(F)c1F ZINC000765143018 602157267 /nfs/dbraw/zinc/15/72/67/602157267.db2.gz YBSUSSHZLBMSPU-UHFFFAOYSA-N -2 0 393.165 2.621 20 0 GFADRL Cc1ccnc(-n2nccc2[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c1 ZINC000832982990 602158956 /nfs/dbraw/zinc/15/89/56/602158956.db2.gz AWABLZRDTVMCMG-UHFFFAOYSA-N -2 0 386.433 2.692 20 0 GFADRL O=C([O-])C[C@@H](NC(=O)c1nn(-c2ccccc2F)cc1[O-])c1cccs1 ZINC000833199784 602299865 /nfs/dbraw/zinc/29/98/65/602299865.db2.gz FBBXXCLFOZNJSO-LLVKDONJSA-N -2 0 375.381 2.724 20 0 GFADRL CCCc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Br)[nH]n1 ZINC000388324953 602305711 /nfs/dbraw/zinc/30/57/11/602305711.db2.gz IQZAJRWRNXZADG-UHFFFAOYSA-N -2 0 388.243 2.624 20 0 GFADRL O=C([O-])Nc1cc(C(=O)[N-]S(=O)(=O)c2cccc3cnccc32)ccc1F ZINC000740698041 602404793 /nfs/dbraw/zinc/40/47/93/602404793.db2.gz KLDMRJIXRKTDLN-UHFFFAOYSA-N -2 0 389.364 2.583 20 0 GFADRL O=C([O-])NCCOc1cccc([N-]S(=O)(=O)c2cc(F)c(F)cc2F)c1 ZINC000832672622 603399517 /nfs/dbraw/zinc/39/95/17/603399517.db2.gz SACSTAORHFLLBK-UHFFFAOYSA-N -2 0 390.339 2.551 20 0 GFADRL C[C@H]1CN(C(=O)c2cc(Cl)cc(Br)c2[O-])CC[C@@H]1NC(=O)[O-] ZINC000826034575 603838854 /nfs/dbraw/zinc/83/88/54/603838854.db2.gz KSLJVOGGKFPATL-CPCISQLKSA-N -2 0 391.649 2.926 20 0 GFADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000830234556 604014619 /nfs/dbraw/zinc/01/46/19/604014619.db2.gz UAZZJOGDXCICFZ-UHFFFAOYSA-N -2 0 376.390 2.535 20 0 GFADRL CC(C)[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1 ZINC000833465009 604609678 /nfs/dbraw/zinc/60/96/78/604609678.db2.gz GFYOJTBAOBSYIB-QGZVFWFLSA-N -2 0 393.436 2.910 20 0 GFADRL COc1ccc(NS(=O)(=O)c2cc(C)c(Cl)c(C(=O)[O-])c2)c(C(=O)[O-])c1 ZINC000758163042 604743878 /nfs/dbraw/zinc/74/38/78/604743878.db2.gz KUKWYBRKUJEGCH-UHFFFAOYSA-N -2 0 399.808 2.854 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)N2CCCc3cc(C(=O)[O-])ccc32)c(Cl)c1 ZINC000578627594 604766605 /nfs/dbraw/zinc/76/66/05/604766605.db2.gz LRFXFUDLNFYIAJ-UHFFFAOYSA-N -2 0 395.820 2.878 20 0 GFADRL CCC(=O)c1cccc(S(=O)(=O)[N-]c2nc(CCCC(=O)[O-])cs2)c1 ZINC000828580284 604775648 /nfs/dbraw/zinc/77/56/48/604775648.db2.gz FZYUWKFEIPPROW-UHFFFAOYSA-N -2 0 382.463 2.944 20 0 GFADRL CCC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)OC)sc2C(=O)[O-])c1 ZINC000828580785 604806501 /nfs/dbraw/zinc/80/65/01/604806501.db2.gz VKAITKVSBUDWRU-UHFFFAOYSA-N -2 0 397.430 2.626 20 0 GFADRL Cc1ccc(S(=O)(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)cc1C(=O)[O-] ZINC000832955814 604809427 /nfs/dbraw/zinc/80/94/27/604809427.db2.gz LSHAMJFOCRVVID-UHFFFAOYSA-N -2 0 399.808 2.611 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2ccc3scnc3c2)c(OC)c1C(=O)[O-] ZINC000833734540 604862122 /nfs/dbraw/zinc/86/21/22/604862122.db2.gz LRYHLRFTQFMAFM-UHFFFAOYSA-N -2 0 394.430 2.813 20 0 GFADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1F ZINC000833148458 604879637 /nfs/dbraw/zinc/87/96/37/604879637.db2.gz JZTJTMMAAGGCBB-UHFFFAOYSA-N -2 0 392.191 2.949 20 0 GFADRL CN(C(=O)c1cc(Br)cc(Cl)c1[O-])[C@H]1CCN(C(=O)[O-])C1 ZINC000827927157 604923767 /nfs/dbraw/zinc/92/37/67/604923767.db2.gz LUNGQGQNEZCGDC-QMMMGPOBSA-N -2 0 377.622 2.632 20 0 GFADRL Cc1cc(F)cc(C(=O)[O-])c1NS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000833744972 604991395 /nfs/dbraw/zinc/99/13/95/604991395.db2.gz NNAPGAFXXGOMHH-UHFFFAOYSA-N -2 0 387.772 2.985 20 0 GFADRL CC(C)Oc1ccc(S(=O)(=O)[N-]c2nnc(CCCC(=O)[O-])s2)cc1 ZINC000833506670 605012059 /nfs/dbraw/zinc/01/20/59/605012059.db2.gz KMQOGHDYMWVUJF-UHFFFAOYSA-N -2 0 385.467 2.533 20 0 GFADRL Cc1nc([N-]S(=O)(=O)c2cc(F)ccc2Br)sc1C(=O)[O-] ZINC000833002559 605013556 /nfs/dbraw/zinc/01/35/56/605013556.db2.gz CAGXERDNPIZXFU-UHFFFAOYSA-N -2 0 395.231 2.852 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]C(=O)C[C@@H](C)C2CCN(C(=O)[O-])CC2)c(C)s1 ZINC000830132250 605067011 /nfs/dbraw/zinc/06/70/11/605067011.db2.gz GEGPOENUGOYFAQ-SNVBAGLBSA-N -2 0 388.511 2.586 20 0 GFADRL CC(C)c1nc(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cs1 ZINC000833512361 605118920 /nfs/dbraw/zinc/11/89/20/605118920.db2.gz NOHVXWYBFBCXFC-UHFFFAOYSA-N -2 0 388.854 2.737 20 0 GFADRL C[C@H](C1CC1)n1nccc1[N-]S(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC000833515386 605124039 /nfs/dbraw/zinc/12/40/39/605124039.db2.gz GNVIKHIBPFNPJX-GFCCVEGCSA-N -2 0 375.450 2.771 20 0 GFADRL C[C@H](C1CC1)n1nccc1[N-]S(=O)(=O)c1cccc2c1ccnc2C(=O)[O-] ZINC000833516306 605151334 /nfs/dbraw/zinc/15/13/34/605151334.db2.gz VMSOVUAZTKXJBZ-LLVKDONJSA-N -2 0 386.433 2.901 20 0 GFADRL Cc1cc(F)c(S(=O)(=O)N2CCCc3cc(C(=O)[O-])ccc32)cc1C(=O)[O-] ZINC000753777521 605166911 /nfs/dbraw/zinc/16/69/11/605166911.db2.gz GUMOCNUEWONOEO-UHFFFAOYSA-N -2 0 393.392 2.672 20 0 GFADRL COc1ccc([C@H](CC(=O)[O-])NC(=O)c2cccc(NC(=O)[O-])c2)c(OC)c1 ZINC000833732642 605198452 /nfs/dbraw/zinc/19/84/52/605198452.db2.gz XMRBTFCNYKGNIS-HNNXBMFYSA-N -2 0 388.376 2.740 20 0 GFADRL O=C([O-])CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cn2)cc1 ZINC000833775088 605205079 /nfs/dbraw/zinc/20/50/79/605205079.db2.gz WDPXZHBAAIHWMF-UHFFFAOYSA-N -2 0 390.339 2.755 20 0 GFADRL CC(C)N1CCc2nc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3F)sc2C1 ZINC000833502195 605343138 /nfs/dbraw/zinc/34/31/38/605343138.db2.gz ORGLAZCUDJNPBI-UHFFFAOYSA-N -2 0 399.469 2.548 20 0 GFADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1CC ZINC000833652677 605420478 /nfs/dbraw/zinc/42/04/78/605420478.db2.gz XOMIQBWQXUNJQF-UHFFFAOYSA-N -3 0 397.405 2.828 20 0 GFADRL Cn1cc(S(=O)(=O)[N-]C(=O)c2ccc(F)c(NC(=O)[O-])c2)c2ccccc21 ZINC000833949766 605694346 /nfs/dbraw/zinc/69/43/46/605694346.db2.gz AUBJSXNXUTVEAV-UHFFFAOYSA-N -2 0 391.380 2.526 20 0 GFADRL O=C([O-])N[C@H]1CCN(Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)C1 ZINC000740594693 605936923 /nfs/dbraw/zinc/93/69/23/605936923.db2.gz AFTMMAONZDDELI-LBPRGKRZSA-N -2 0 388.424 2.633 20 0 GFADRL O=C([O-])N[C@@H](CC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1)c1ccccc1 ZINC000834121833 606067029 /nfs/dbraw/zinc/06/70/29/606067029.db2.gz IXQPUWKSDBKRJX-GOEBONIOSA-N -2 0 376.796 2.981 20 0 GFADRL O=C([O-])N[C@@H]1CCc2ncc([N-]S(=O)(=O)c3cccc(Cl)c3)cc2C1 ZINC000834195108 606080079 /nfs/dbraw/zinc/08/00/79/606080079.db2.gz WVKJPFWJSHXEAB-GFCCVEGCSA-N -2 0 381.841 2.661 20 0 GFADRL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC(C)C ZINC000267863409 654949273 /nfs/dbraw/zinc/94/92/73/654949273.db2.gz JEVDOFINNAPCNV-UHFFFAOYSA-N -2 0 387.845 2.668 20 0 GFADRL C[C@H](CCNS(=O)(=O)c1cccc(Cl)c1Br)CC(=O)[O-] ZINC000276854840 655290313 /nfs/dbraw/zinc/29/03/13/655290313.db2.gz FLFAFNVMYOZWMN-MRVPVSSYSA-N -2 0 384.679 2.882 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(F)nc2)c1Br ZINC000318577896 655381227 /nfs/dbraw/zinc/38/12/27/655381227.db2.gz CYMGGVDBGYMMAT-UHFFFAOYSA-N -2 0 389.202 2.791 20 0 GFADRL CC(C)n1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Br)n1 ZINC000318947463 655381290 /nfs/dbraw/zinc/38/12/90/655381290.db2.gz AOEPAXUAZJIFNE-UHFFFAOYSA-N -2 0 388.243 2.726 20 0 GFADRL C[C@@H]1CCN(C(=O)N=c2nc(-c3cccc(Cl)c3)[n-]s2)C[C@H]1C(=O)[O-] ZINC000566068972 655424660 /nfs/dbraw/zinc/42/46/60/655424660.db2.gz NJZRHIOZOJLILJ-BXKDBHETSA-N -2 0 380.857 2.855 20 0 GFADRL C[C@@H]1CCN(C(=O)N=c2nc(-c3cccc(Cl)c3)[n-]s2)C[C@@H]1C(=O)[O-] ZINC000566068975 655424665 /nfs/dbraw/zinc/42/46/65/655424665.db2.gz NJZRHIOZOJLILJ-SKDRFNHKSA-N -2 0 380.857 2.855 20 0 GFADRL CCOC(=O)c1cc(S(=O)(=O)[N-]c2cc(C)c(C(=O)[O-])s2)ccc1F ZINC000737153850 655669304 /nfs/dbraw/zinc/66/93/04/655669304.db2.gz HWEVFVKOPUZXSG-UHFFFAOYSA-N -2 0 387.410 2.871 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2C[S@](C)=O)c1F ZINC000762452875 656042489 /nfs/dbraw/zinc/04/24/89/656042489.db2.gz HQWSDLHQOYSEGJ-DEOSSOPVSA-N -2 0 385.438 2.512 20 0 GFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2c(Cl)ccnc2Cl)cc1C(=O)[O-] ZINC000776453472 656743708 /nfs/dbraw/zinc/74/37/08/656743708.db2.gz LUGRJTCSLMPPKU-UHFFFAOYSA-N -3 0 391.188 2.586 20 0 GFADRL CN(C)c1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)c(C(=O)[O-])c1 ZINC000776531646 656752452 /nfs/dbraw/zinc/75/24/52/656752452.db2.gz OCLZNYDDJVBIIV-UHFFFAOYSA-N -2 0 390.248 2.953 20 0 GFADRL C[C@H](CC(C)(C)[N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)[O-] ZINC000777909488 656841754 /nfs/dbraw/zinc/84/17/54/656841754.db2.gz YWLBPFRDXFXQTO-RXMQYKEDSA-N -2 0 375.315 2.550 20 0 GFADRL CCc1noc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)c(Cl)c1F ZINC000779838034 656948092 /nfs/dbraw/zinc/94/80/92/656948092.db2.gz WAZQFFYLHAJJQT-UHFFFAOYSA-N -2 0 380.756 2.976 20 0 GFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2cc(C(F)(F)F)[nH]n2)cc1C(=O)[O-] ZINC000790400119 657968877 /nfs/dbraw/zinc/96/88/77/657968877.db2.gz URHNPHIGMFNHHJ-UHFFFAOYSA-N -2 0 399.734 2.590 20 0 GFADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2ccc(Cl)nc2C)c1OC ZINC000806634599 659838191 /nfs/dbraw/zinc/83/81/91/659838191.db2.gz ISJUKPTXDYFDSL-UHFFFAOYSA-N -2 0 386.813 2.560 20 0 GFADRL O=C([O-])[C@H](C(=O)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C1CCCC1 ZINC000863951644 662350794 /nfs/dbraw/zinc/35/07/94/662350794.db2.gz OQVHUYBECGGSGZ-LBPRGKRZSA-N -2 0 380.249 2.689 20 0 GFADRL O=C([O-])CCCCC(=O)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000863959799 662351301 /nfs/dbraw/zinc/35/13/01/662351301.db2.gz CROLSEOMZAZWDH-UHFFFAOYSA-N -2 0 398.662 2.552 20 0 GFADRL C[C@H](CCC(=O)[O-])NC(=O)c1cc(Br)c([O-])c(Br)c1 ZINC000909452621 664159326 /nfs/dbraw/zinc/15/93/26/664159326.db2.gz GZUVIRHKOGMPQO-ZCFIWIBFSA-N -2 0 395.047 2.900 20 0 GFADRL Cn1cnnc1Sc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000021867506 551116739 /nfs/dbraw/zinc/11/67/39/551116739.db2.gz MURRHAQVORABIK-UHFFFAOYSA-N -2 0 396.475 2.527 20 0 GFADRL O=C([O-])c1cc([N-]S(=O)(=O)c2cnn(CC(F)(F)F)c2)ccc1Cl ZINC000186973337 552403230 /nfs/dbraw/zinc/40/32/30/552403230.db2.gz GDGCRADEJHKMPK-UHFFFAOYSA-N -2 0 383.735 2.598 20 0 GFADRL Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000187017633 552404232 /nfs/dbraw/zinc/40/42/32/552404232.db2.gz WTPHERAIHJXIOY-UHFFFAOYSA-N -2 0 397.762 2.906 20 0 GFADRL CCOCCOCc1cccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000298860351 563369011 /nfs/dbraw/zinc/36/90/11/563369011.db2.gz OTZOPPJUJXIGHE-UHFFFAOYSA-N -2 0 385.463 2.800 20 0 GFADRL CCN(CC)C(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000299164055 563376380 /nfs/dbraw/zinc/37/63/80/563376380.db2.gz SPTORKOYMFQBEW-UHFFFAOYSA-N -2 0 382.463 2.729 20 0 GFADRL O=C([N-]CC1CCN(C(=O)c2cc(F)cc(Cl)c2[O-])CC1)C(F)(F)F ZINC000282068294 563396462 /nfs/dbraw/zinc/39/64/62/563396462.db2.gz SSPRXRUKQODLHX-UHFFFAOYSA-N -2 0 382.741 2.715 20 0 GFADRL CCOc1ccc(Br)cc1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)(C)C ZINC000314334704 563438325 /nfs/dbraw/zinc/43/83/25/563438325.db2.gz RVUQYJBKDSUPRS-LBPRGKRZSA-N -2 0 394.287 2.625 20 0 GFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)cc1O ZINC000392209488 563526195 /nfs/dbraw/zinc/52/61/95/563526195.db2.gz HGUUQMVWACGVCS-UHFFFAOYSA-N -2 0 377.296 2.790 20 0 GFADRL CCn1cc(S(=O)(=O)[N-]c2ccc3nc(OC)sc3c2)cc1C(=O)[O-] ZINC000430978991 563550884 /nfs/dbraw/zinc/55/08/84/563550884.db2.gz MPCCLCLTRKLXMU-UHFFFAOYSA-N -2 0 381.435 2.625 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(N3CCC3=O)cc2)c(Cl)c1 ZINC000410421246 563590438 /nfs/dbraw/zinc/59/04/38/563590438.db2.gz UQPWKZXBIGAYQH-UHFFFAOYSA-N -2 0 380.809 2.576 20 0 GFADRL COc1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)ccc1C(=O)[O-] ZINC000432782263 563593037 /nfs/dbraw/zinc/59/30/37/563593037.db2.gz SCBYAUUGDIBIDU-UHFFFAOYSA-N -2 0 376.312 2.608 20 0 GFADRL O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)c1cc(F)cc(Br)c1[O-] ZINC000436854957 563682627 /nfs/dbraw/zinc/68/26/27/563682627.db2.gz GVXRLHHMOUHWRM-UHFFFAOYSA-N -2 0 394.156 2.889 20 0 GFADRL Cc1ccc(Br)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)c1 ZINC000436993690 563687643 /nfs/dbraw/zinc/68/76/43/563687643.db2.gz FYCSPHQLYQNUMY-UHFFFAOYSA-N -2 0 386.223 2.962 20 0 GFADRL COC(=O)c1scc(C)c1S(=O)(=O)[N-]c1cccc(Cl)c1C(=O)[O-] ZINC000442816669 563780518 /nfs/dbraw/zinc/78/05/18/563780518.db2.gz LEKLARGGVVHJQS-UHFFFAOYSA-N -2 0 389.838 2.996 20 0 GFADRL O=C([O-])[C@H](CNC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1)CC1CC1 ZINC000564091164 564220407 /nfs/dbraw/zinc/22/04/07/564220407.db2.gz GCSCSGVDDYPHFV-JTQLQIEISA-N -2 0 393.237 2.521 20 0 GFADRL CNC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(Cl)c(C)c(C(=O)[O-])c1 ZINC000479274749 564434719 /nfs/dbraw/zinc/43/47/19/564434719.db2.gz AZNRPTKAHNZPQB-UHFFFAOYSA-N -2 0 382.825 2.507 20 0 GFADRL CC(C)NC(=O)Nc1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1 ZINC000515695712 564485478 /nfs/dbraw/zinc/48/54/78/564485478.db2.gz RUPUMKSTZWTEBA-UHFFFAOYSA-N -2 0 383.451 2.777 20 0 GFADRL CC[C@@H](NC(=O)c1cc(Br)c([O-])c(Br)c1)C(=O)[O-] ZINC000570138369 564492123 /nfs/dbraw/zinc/49/21/23/564492123.db2.gz MIPKDYBNVKSBEL-MRVPVSSYSA-N -2 0 381.020 2.510 20 0 GFADRL C[C@@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000547561123 564494374 /nfs/dbraw/zinc/49/43/74/564494374.db2.gz MURCGQKVKMZJTI-ZETCQYMHSA-N -2 0 386.214 2.507 20 0 GFADRL O=C([O-])[C@@H](Cc1c(F)cccc1Cl)[N-]S(=O)(=O)c1c(F)cccc1F ZINC000547589188 564499633 /nfs/dbraw/zinc/49/96/33/564499633.db2.gz OUXMFMGJTJKJKB-CYBMUJFWSA-N -2 0 393.770 2.732 20 0 GFADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1C(=O)NC(C)C ZINC000517157943 564526313 /nfs/dbraw/zinc/52/63/13/564526313.db2.gz ATOUIWAWUNWAJS-UHFFFAOYSA-N -2 0 382.463 2.694 20 0 GFADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@H](Cc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000548241741 564541425 /nfs/dbraw/zinc/54/14/25/564541425.db2.gz DQPUASSRKVOHTA-QUBYGPBYSA-N -2 0 394.198 2.859 20 0 GFADRL COc1ccc(Cl)c(S(=O)(=O)[N-]c2cc3c(cc2C(=O)[O-])OCO3)c1 ZINC000484552841 564590352 /nfs/dbraw/zinc/59/03/52/564590352.db2.gz AFTWTJNEKPOYJJ-UHFFFAOYSA-N -2 0 385.781 2.576 20 0 GFADRL COc1cc(OC)c([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cc1Cl ZINC000485273376 564611768 /nfs/dbraw/zinc/61/17/68/564611768.db2.gz JNMOMLJKFDHVIL-UHFFFAOYSA-N -2 0 389.788 2.995 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)cc2C(=O)[O-])o1 ZINC000488255731 564707999 /nfs/dbraw/zinc/70/79/99/564707999.db2.gz XNDPHILDDLSIJK-UHFFFAOYSA-N -2 0 382.463 2.640 20 0 GFADRL COC[C@@H](C)n1ccc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)n1 ZINC000489038941 564727159 /nfs/dbraw/zinc/72/71/59/564727159.db2.gz JFYNVYZOJSWKRF-SECBINFHSA-N -2 0 387.845 2.551 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2cccnc2C(F)(F)F)c(C(=O)[O-])c1 ZINC000489286695 564735094 /nfs/dbraw/zinc/73/50/94/564735094.db2.gz KFVNHYCHUAGMHR-UHFFFAOYSA-N -2 0 376.312 2.608 20 0 GFADRL COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)ccc1C ZINC000489595185 564744575 /nfs/dbraw/zinc/74/45/75/564744575.db2.gz SCJYYYIKFOXLDZ-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)nc2)c(Cl)c1 ZINC000559153897 564925225 /nfs/dbraw/zinc/92/52/25/564925225.db2.gz QGGYPJIOQPXCOJ-UHFFFAOYSA-N -2 0 378.740 2.835 20 0 GFADRL Cc1ccc(F)c(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1C(=O)[O-] ZINC000534146532 564981418 /nfs/dbraw/zinc/98/14/18/564981418.db2.gz GUSIHAXRFFKORC-UHFFFAOYSA-N -2 0 387.772 2.985 20 0 GFADRL CCc1onc(C)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Br)c1 ZINC000536101853 565029927 /nfs/dbraw/zinc/02/99/27/565029927.db2.gz AMRIGAYDHIQQDO-UHFFFAOYSA-N -2 0 389.227 2.807 20 0 GFADRL COc1cc(O)cc([N-]S(=O)(=O)c2cc(OC)c(C(=O)[O-])cc2Cl)c1 ZINC000504027830 565033421 /nfs/dbraw/zinc/03/34/21/565033421.db2.gz ZBEFQJYYLYGXCI-UHFFFAOYSA-N -2 0 387.797 2.562 20 0 GFADRL CCn1cc(S(=O)(=O)[N-]c2ccc(Cl)c(NC(C)=O)c2)cc1C(=O)[O-] ZINC000504251114 565037129 /nfs/dbraw/zinc/03/71/29/565037129.db2.gz AYUGISJFAMLJMH-UHFFFAOYSA-N -2 0 385.829 2.619 20 0 GFADRL Cc1nn(C)c(S(=O)(=O)Nc2cccc(O)c2Br)c1C(F)F ZINC000641690566 565394697 /nfs/dbraw/zinc/39/46/97/565394697.db2.gz ZIIJADRFNCGDLV-UHFFFAOYSA-N -2 0 396.213 2.935 20 0 GFADRL O=C([O-])CC[C@H](C[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)C(F)(F)F ZINC000663293309 565408068 /nfs/dbraw/zinc/40/80/68/565408068.db2.gz DKTODQDKWDHDFU-ZCFIWIBFSA-N -2 0 395.733 2.940 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnc(C3CC3)nc2)cc1Br ZINC000673885467 565851260 /nfs/dbraw/zinc/85/12/60/565851260.db2.gz YHLFGBIPHNVZOC-UHFFFAOYSA-N -2 0 398.238 2.616 20 0 GFADRL CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)s1 ZINC000677234772 565965183 /nfs/dbraw/zinc/96/51/83/565965183.db2.gz JTYPSBBLWZVCPP-QMMMGPOBSA-N -2 0 386.426 2.583 20 0 GFADRL O=C([O-])CCCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000656231848 566114273 /nfs/dbraw/zinc/11/42/73/566114273.db2.gz PWICWBLNJWLUKJ-UHFFFAOYSA-N -2 0 383.451 2.527 20 0 GFADRL O=C([O-])CCCCNC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1O ZINC000739667591 599741595 /nfs/dbraw/zinc/74/15/95/599741595.db2.gz KVGDZWDEYXVMCT-QGZVFWFLSA-N -2 0 384.432 2.521 20 0 GFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cncc(F)c2)c(OCC(F)(F)F)c1 ZINC000740155864 599802224 /nfs/dbraw/zinc/80/22/24/599802224.db2.gz ZACMREHNEJSIDU-UHFFFAOYSA-N -2 0 394.302 2.661 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(Cl)c2C)c(C(=O)[O-])s1 ZINC000737679767 599813784 /nfs/dbraw/zinc/81/37/84/599813784.db2.gz DFXAJQRYRGQDJR-UHFFFAOYSA-N -2 0 389.838 2.996 20 0 GFADRL CS(=O)(=O)[N-]c1cc2ccccc2cc1C(=O)OCc1cc(C(=O)[O-])co1 ZINC000738164498 599879203 /nfs/dbraw/zinc/87/92/03/599879203.db2.gz SATCWWDZISYNCD-UHFFFAOYSA-N -2 0 389.385 2.860 20 0 GFADRL Cc1ccnc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Br)c1 ZINC000738797599 599883123 /nfs/dbraw/zinc/88/31/23/599883123.db2.gz FATYIOBLDPYNQC-UHFFFAOYSA-N -2 0 389.202 2.791 20 0 GFADRL COC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000327660535 599905345 /nfs/dbraw/zinc/90/53/45/599905345.db2.gz YLTJXLCPGWSJBA-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL O=C([O-])c1cc(Br)ccc1S(=O)(=O)[N-]c1cnc(C2CC2)nc1 ZINC000740067005 599924363 /nfs/dbraw/zinc/92/43/63/599924363.db2.gz AGWBWQMIWZUKSI-UHFFFAOYSA-N -2 0 398.238 2.616 20 0 GFADRL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2[nH]ccc21 ZINC000737716566 599926747 /nfs/dbraw/zinc/92/67/47/599926747.db2.gz BRTHLCUQBKYKCR-UHFFFAOYSA-N -2 0 380.403 2.515 20 0 GFADRL CC1=C(C(=O)[O-])[C@@H](c2cccc(O[C@H](C)C(=O)[O-])c2)NC(=O)N1CC(C)C ZINC000736750997 599984255 /nfs/dbraw/zinc/98/42/55/599984255.db2.gz NHZOMXHVLCYULL-MLGOLLRUSA-N -2 0 376.409 2.619 20 0 GFADRL CC[C@@H](C)N1C(=O)N[C@@H](c2cccc(OCCC(=O)[O-])c2)C(C(=O)[O-])=C1C ZINC000736883926 599984814 /nfs/dbraw/zinc/98/48/14/599984814.db2.gz PYVSHFJYZFHXLU-DIFFPNOSSA-N -2 0 376.409 2.764 20 0 GFADRL Cc1nc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)sc1C(=O)[O-] ZINC000738364793 600054671 /nfs/dbraw/zinc/05/46/71/600054671.db2.gz WSMLPHUQYZJXLB-UHFFFAOYSA-N -2 0 389.414 2.669 20 0 GFADRL Cc1ccc(Cn2nccc2[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC000738605130 600055195 /nfs/dbraw/zinc/05/51/95/600055195.db2.gz PLUAKUQLXDXUOP-UHFFFAOYSA-N -2 0 377.447 2.800 20 0 GFADRL Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000738914485 600057714 /nfs/dbraw/zinc/05/77/14/600057714.db2.gz FOWQPMHVTRIGJF-UHFFFAOYSA-N -2 0 377.344 2.555 20 0 GFADRL C[C@H](CNC(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1[O-])C(=O)[O-] ZINC000736603930 600060040 /nfs/dbraw/zinc/06/00/40/600060040.db2.gz FOKJXUIRIMJAKG-MRVPVSSYSA-N -2 0 382.825 2.810 20 0 GFADRL CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])cc1 ZINC000737084695 600092683 /nfs/dbraw/zinc/09/26/83/600092683.db2.gz KWBDAQKRAIBNJD-UHFFFAOYSA-N -2 0 394.424 2.807 20 0 GFADRL Cc1cc(C(=O)[O-])c2sc([N-]S(=O)(=O)Cc3ccc(F)cc3)nc2n1 ZINC000738345164 600102373 /nfs/dbraw/zinc/10/23/73/600102373.db2.gz FNJCZBGMMXXCOW-UHFFFAOYSA-N -2 0 381.410 2.779 20 0 GFADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1 ZINC000740114373 600122633 /nfs/dbraw/zinc/12/26/33/600122633.db2.gz BYRJEEFDJXRNNA-UHFFFAOYSA-N -2 0 391.298 2.661 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2nccs2)c(F)cc1Br ZINC000740090612 600204521 /nfs/dbraw/zinc/20/45/21/600204521.db2.gz ZYEMPZLOVIWYHQ-UHFFFAOYSA-N -2 0 381.204 2.544 20 0 GFADRL CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cc1 ZINC000737155501 600228877 /nfs/dbraw/zinc/22/88/77/600228877.db2.gz QWDFWJPRXSYZQZ-UHFFFAOYSA-N -2 0 385.344 2.641 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2N2CCCC2=O)c(F)cc1F ZINC000740089255 600231674 /nfs/dbraw/zinc/23/16/74/600231674.db2.gz CGSVQUFHEXIKJO-UHFFFAOYSA-N -2 0 396.371 2.591 20 0 GFADRL COc1c(F)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cc1F ZINC000737839011 600233828 /nfs/dbraw/zinc/23/38/28/600233828.db2.gz ASNHNOLBWKLGFQ-UHFFFAOYSA-N -2 0 379.287 2.751 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2OC(F)F)cc1F ZINC000738064233 600237426 /nfs/dbraw/zinc/23/74/26/600237426.db2.gz YTFUDBSYJGNVCT-UHFFFAOYSA-N -2 0 391.323 2.935 20 0 GFADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cn2)c1 ZINC000740144950 600247402 /nfs/dbraw/zinc/24/74/02/600247402.db2.gz RQCPPFIMBIMBMQ-UHFFFAOYSA-N -2 0 379.413 2.710 20 0 GFADRL CC(C)COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cn1 ZINC000736448170 600253956 /nfs/dbraw/zinc/25/39/56/600253956.db2.gz IHBOCPLCVDVURO-UHFFFAOYSA-N -2 0 386.376 2.894 20 0 GFADRL COc1cc([N-]S(=O)(=O)c2cnc(Cl)c(C)c2)c(C(=O)[O-])cc1OC ZINC000735267493 600299101 /nfs/dbraw/zinc/29/91/01/600299101.db2.gz RTFSIAYPBYYWBV-UHFFFAOYSA-N -2 0 386.813 2.560 20 0 GFADRL CN(Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc1)C(=O)[O-] ZINC000737486213 600299167 /nfs/dbraw/zinc/29/91/67/600299167.db2.gz RQMNAIYKKIGHSH-UHFFFAOYSA-N -2 0 392.433 2.614 20 0 GFADRL C[C@@H](CSc1ccccc1)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000736619261 600421736 /nfs/dbraw/zinc/42/17/36/600421736.db2.gz XPFZKIGTYQMQLH-JTQLQIEISA-N -2 0 385.488 2.680 20 0 GFADRL O=C([O-])CCc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000060554406 600481947 /nfs/dbraw/zinc/48/19/47/600481947.db2.gz OVIAJSVDFOIWLH-UHFFFAOYSA-N -2 0 383.809 2.856 20 0 GFADRL CC[C@@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000736903034 600520152 /nfs/dbraw/zinc/52/01/52/600520152.db2.gz DTBUQOXHYHLDCK-INIZCTEOSA-N -2 0 375.446 2.600 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(-c3cn4ccsc4n3)cc2)c[nH]1 ZINC000509646732 600671358 /nfs/dbraw/zinc/67/13/58/600671358.db2.gz POWSACFVBIZKJF-UHFFFAOYSA-N -2 0 388.430 2.890 20 0 GFADRL Cc1cc(SC(C)(C)C)ccc1[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000832904963 600679947 /nfs/dbraw/zinc/67/99/47/600679947.db2.gz KJDCSXDGZVLCGX-UHFFFAOYSA-N -2 0 383.495 2.968 20 0 GFADRL COC(=O)c1ccc([N-]S(=O)(=O)c2cccc3ncccc32)cc1C(=O)[O-] ZINC000831434740 600689646 /nfs/dbraw/zinc/68/96/46/600689646.db2.gz AQKACGDAKGJTDU-UHFFFAOYSA-N -2 0 386.385 2.520 20 0 GFADRL CCOCCCN(C[C@H](C)C(=O)[O-])C(=O)c1cccc(Br)c1[O-] ZINC000830000162 600722510 /nfs/dbraw/zinc/72/25/10/600722510.db2.gz CVQHNFILUHSUOC-NSHDSACASA-N -2 0 388.258 2.744 20 0 GFADRL O=C([O-])C[C@H]1CN(C(=O)c2nn(-c3ccccc3F)cc2[O-])c2ccccc21 ZINC000833219509 600764087 /nfs/dbraw/zinc/76/40/87/600764087.db2.gz PYWCRUODVYLZJH-LBPRGKRZSA-N -2 0 381.363 2.936 20 0 GFADRL CCC1=C(C(=O)[O-])[C@@H](c2scnc2C)NC(=O)N1CCCCCC(=O)[O-] ZINC000829069610 600783775 /nfs/dbraw/zinc/78/37/75/600783775.db2.gz NVJLEGZILZNXOB-AWEZNQCLSA-N -2 0 381.454 2.912 20 0 GFADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Br)c(C)n1 ZINC000316748317 600828840 /nfs/dbraw/zinc/82/88/40/600828840.db2.gz QDCHZSWBTGKHHZ-UHFFFAOYSA-N -2 0 385.239 2.960 20 0 GFADRL O=C([O-])COc1ccc(/C=C(\C(=O)[O-])c2ccncc2)cc1Br ZINC000833254352 600829359 /nfs/dbraw/zinc/82/93/59/600829359.db2.gz KONICQYDGAEAMG-GHXNOFRVSA-N -2 0 378.178 2.933 20 0 GFADRL COc1ccc(NC(C)=O)c([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC000738040321 600890471 /nfs/dbraw/zinc/89/04/71/600890471.db2.gz QNTFQVQVHAKJED-UHFFFAOYSA-N -2 0 398.824 2.806 20 0 GFADRL CCn1nc(C)c(S(=O)(=O)[N-]c2cccc(CSCC(=O)[O-])c2)c1C ZINC000737312057 600893323 /nfs/dbraw/zinc/89/33/23/600893323.db2.gz KRVZQXGAFASDBF-UHFFFAOYSA-N -2 0 383.495 2.638 20 0 GFADRL C[C@H](CCc1ccccc1F)C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000827427313 600937528 /nfs/dbraw/zinc/93/75/28/600937528.db2.gz FDSCMMFNGNHKFW-SNVBAGLBSA-N -2 0 385.438 2.659 20 0 GFADRL CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000829010015 600943502 /nfs/dbraw/zinc/94/35/02/600943502.db2.gz ZBZIHPKYPUIXFB-JQFCIGGWSA-N -2 0 397.493 2.705 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccnn2Cc2ccccc2F)cs1 ZINC000833306311 600979717 /nfs/dbraw/zinc/97/97/17/600979717.db2.gz OKALGILOLLHSCU-UHFFFAOYSA-N -2 0 381.410 2.631 20 0 GFADRL COc1ccc2nc(Cl)ccc2c1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccn1 ZINC000832510569 600982919 /nfs/dbraw/zinc/98/29/19/600982919.db2.gz VXECUFVOCLIUBX-UHFFFAOYSA-N -2 0 393.808 2.791 20 0 GFADRL Cn1c([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)nc2cc(F)ccc21 ZINC000833039624 600988982 /nfs/dbraw/zinc/98/89/82/600988982.db2.gz OONJJZYPBAUMKP-UHFFFAOYSA-N -2 0 383.788 2.865 20 0 GFADRL C[C@@H](C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-])c1ccc(Cl)s1 ZINC000826008743 601141287 /nfs/dbraw/zinc/14/12/87/601141287.db2.gz MDYLIYTUEYTOHO-ZCFIWIBFSA-N -2 0 379.868 2.770 20 0 GFADRL Cc1nc(-c2ccc(C)c([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3F)c2)n[nH]1 ZINC000749013213 601205516 /nfs/dbraw/zinc/20/55/16/601205516.db2.gz ZSFPCWRNPCVTNZ-UHFFFAOYSA-N -2 0 390.396 2.727 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)c1F ZINC000832868503 601224398 /nfs/dbraw/zinc/22/43/98/601224398.db2.gz XDEJXTRWMSLCIB-UHFFFAOYSA-N -3 0 381.381 2.650 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCCC3)c2)cc1C(=O)[O-] ZINC000833030464 601233281 /nfs/dbraw/zinc/23/32/81/601233281.db2.gz XSOOLKAUUMWCPG-UHFFFAOYSA-N -2 0 392.433 2.713 20 0 GFADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)NCCc2ccc(C(=O)[O-])cc2)n1 ZINC000832890113 601272460 /nfs/dbraw/zinc/27/24/60/601272460.db2.gz OYKIGDRDOQWPQP-UHFFFAOYSA-N -2 0 383.379 2.696 20 0 GFADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])n1 ZINC000248608136 601278670 /nfs/dbraw/zinc/27/86/70/601278670.db2.gz VYAZPMXPMRFOHC-MAZHCROVSA-N -2 0 387.411 2.883 20 0 GFADRL CCn1ncc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3OC)cc21 ZINC000519498202 601327400 /nfs/dbraw/zinc/32/74/00/601327400.db2.gz PRYWKYMAYXEQDJ-UHFFFAOYSA-N -2 0 375.406 2.564 20 0 GFADRL COCCOc1ccccc1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000831783001 601328017 /nfs/dbraw/zinc/32/80/17/601328017.db2.gz BMFHFOWXPBIROA-DHZHZOJOSA-N -2 0 377.418 2.610 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2nc(CC(=O)[O-])cs2)sc1Br ZINC000123548266 601338125 /nfs/dbraw/zinc/33/81/25/601338125.db2.gz LKXDOLJBCASFOV-UHFFFAOYSA-N -2 0 397.297 2.703 20 0 GFADRL CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3ccsc3C(=O)[O-])ccc21 ZINC000327284148 601357677 /nfs/dbraw/zinc/35/76/77/601357677.db2.gz KJJIOLSZMOVZEF-UHFFFAOYSA-N -2 0 380.447 2.546 20 0 GFADRL Cc1nn(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c1C ZINC000833013677 601360464 /nfs/dbraw/zinc/36/04/64/601360464.db2.gz CPWBTJKLZSAZOH-UHFFFAOYSA-N -2 0 378.237 2.843 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])ncc1Br ZINC000832899227 601396310 /nfs/dbraw/zinc/39/63/10/601396310.db2.gz GFCBSSIOMAFISZ-UHFFFAOYSA-N -2 0 385.239 2.960 20 0 GFADRL Cc1cc(Br)ncc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000832859808 601474524 /nfs/dbraw/zinc/47/45/24/601474524.db2.gz XYFNSBPNPAIIMU-UHFFFAOYSA-N -2 0 385.239 2.580 20 0 GFADRL CCCCc1nc2cc([N-]S(=O)(=O)c3csnc3C(=O)[O-])ccc2[nH]1 ZINC000829441663 601486158 /nfs/dbraw/zinc/48/61/58/601486158.db2.gz WPGJOGOJRIQQLA-UHFFFAOYSA-N -2 0 380.451 2.861 20 0 GFADRL CC(C)(C)c1nnc([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])s1 ZINC000826528374 601502754 /nfs/dbraw/zinc/50/27/54/601502754.db2.gz YRSOKXBZQZHNBQ-UHFFFAOYSA-N -2 0 375.859 2.988 20 0 GFADRL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2nnc(C3CCCCC3)s2)cc1 ZINC000833259720 601503962 /nfs/dbraw/zinc/50/39/62/601503962.db2.gz SOMGAXQJXDLOIE-UHFFFAOYSA-N -2 0 397.478 2.850 20 0 GFADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cc(Br)ccc2O)c1 ZINC000754255856 601574676 /nfs/dbraw/zinc/57/46/76/601574676.db2.gz DYQNVQLDYBNOJG-UHFFFAOYSA-N -2 0 390.186 2.793 20 0 GFADRL C[C@H](CSc1ccc(F)cc1)C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000827582120 601598887 /nfs/dbraw/zinc/59/88/87/601598887.db2.gz YUXSVKSVUXVYIP-LLVKDONJSA-N -2 0 397.449 2.757 20 0 GFADRL COc1cc(/C=C\C(=O)[O-])cc(S(=O)(=O)[N-]c2cc(Cl)ccn2)c1OC ZINC000831971941 601769015 /nfs/dbraw/zinc/76/90/15/601769015.db2.gz ALJMBOLUCDERGV-ARJAWSKDSA-N -2 0 398.824 2.651 20 0 GFADRL O=C([O-])CCCc1csc([N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)n1 ZINC000833229607 601771481 /nfs/dbraw/zinc/77/14/81/601771481.db2.gz LUPIMCZULGXESA-UHFFFAOYSA-N -2 0 392.462 2.537 20 0 GFADRL O=C([O-])CCCc1csc([N-]S(=O)(=O)c2ccccc2OC(F)F)n1 ZINC000833229870 601772631 /nfs/dbraw/zinc/77/26/31/601772631.db2.gz OVAIUJSTNVMTJG-UHFFFAOYSA-N -2 0 392.405 2.953 20 0 GFADRL O=C([O-])CCCc1csc(NC(=O)c2nn(-c3ccccc3F)cc2[O-])n1 ZINC000833229338 601802318 /nfs/dbraw/zinc/80/23/18/601802318.db2.gz BTVKJIKPVMOUKS-UHFFFAOYSA-N -2 0 390.396 2.833 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2csnc2C(=O)[O-])ccc1Br ZINC000832898813 601830326 /nfs/dbraw/zinc/83/03/26/601830326.db2.gz LHJROQRRVVOBEK-UHFFFAOYSA-N -2 0 377.241 2.713 20 0 GFADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c(C(=O)[O-])c1 ZINC000063877901 601837316 /nfs/dbraw/zinc/83/73/16/601837316.db2.gz WOBNFLBNHXFYHS-UHFFFAOYSA-N -3 0 387.772 2.985 20 0 GFADRL O=C([O-])c1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc(-c2cc[nH]n2)cc1 ZINC000833344731 601838423 /nfs/dbraw/zinc/83/84/23/601838423.db2.gz HQBVUPOCOIVTQO-UHFFFAOYSA-N -2 0 378.797 2.624 20 0 GFADRL Cc1ccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1OCC(F)F ZINC000832950211 601839879 /nfs/dbraw/zinc/83/98/79/601839879.db2.gz GDERBRQOIQOKGM-UHFFFAOYSA-N -2 0 378.378 2.594 20 0 GFADRL CSc1cc2c(cc1[N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-])OCCO2 ZINC000832774208 601860989 /nfs/dbraw/zinc/86/09/89/601860989.db2.gz GHYGHKZISDXBHF-UHFFFAOYSA-N -2 0 399.421 2.818 20 0 GFADRL CCC[C@H](C)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C(=O)OC)n[nH]1 ZINC000829215331 601861931 /nfs/dbraw/zinc/86/19/31/601861931.db2.gz AKMBBHBKHIQLLJ-JTQLQIEISA-N -2 0 395.437 2.599 20 0 GFADRL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1cc(Br)ccc1O ZINC000833294165 601863561 /nfs/dbraw/zinc/86/35/61/601863561.db2.gz GOHIETGMYKBNAA-UHFFFAOYSA-N -2 0 390.186 2.793 20 0 GFADRL Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1nnc(CCCC(=O)[O-])s1 ZINC000832935196 602104974 /nfs/dbraw/zinc/10/49/74/602104974.db2.gz BRVDECQLHSODAK-UHFFFAOYSA-N -2 0 375.859 2.708 20 0 GFADRL Cc1cc(S(=O)(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)cc(C(=O)[O-])c1C ZINC000760356329 602113795 /nfs/dbraw/zinc/11/37/95/602113795.db2.gz NIMSHIRNFHFHKP-ZDUSSCGKSA-N -2 0 389.429 2.769 20 0 GFADRL CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3cc(C(=O)[O-])cs3)ccc21 ZINC000825833778 602117296 /nfs/dbraw/zinc/11/72/96/602117296.db2.gz GBVREDRMNNEESU-UHFFFAOYSA-N -2 0 380.447 2.546 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)nc2)c(Br)cc1F ZINC000135362163 602156236 /nfs/dbraw/zinc/15/62/36/602156236.db2.gz XRSLWKHJIMZAJO-UHFFFAOYSA-N -2 0 393.165 2.621 20 0 GFADRL O=C([O-])c1nscc1[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000833346627 602156515 /nfs/dbraw/zinc/15/65/15/602156515.db2.gz MHGFGLOGGGZDFX-UHFFFAOYSA-N -2 0 381.204 2.544 20 0 GFADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Br)nc2)c1 ZINC000222059780 602156563 /nfs/dbraw/zinc/15/65/63/602156563.db2.gz XJTBUAARHMJUJD-UHFFFAOYSA-N -2 0 391.630 2.997 20 0 GFADRL COc1ccsc1[C@H]1NC(=O)N(CCCCCC(=O)[O-])C(C)=C1C(=O)[O-] ZINC000832637236 602193197 /nfs/dbraw/zinc/19/31/97/602193197.db2.gz MLACDDIOPWJQNH-AWEZNQCLSA-N -2 0 382.438 2.827 20 0 GFADRL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cc(C3CCCCC3)[nH]n2)cc1 ZINC000833259501 602308607 /nfs/dbraw/zinc/30/86/07/602308607.db2.gz RSVWNXUOWSYYOF-UHFFFAOYSA-N -2 0 379.438 2.722 20 0 GFADRL O=C([O-])Nc1cc(C(=O)[N-]S(=O)(=O)C2=Cc3ccccc3CC2)ccc1F ZINC000740696537 602566883 /nfs/dbraw/zinc/56/68/83/602566883.db2.gz UINZZXBNGBNJMO-UHFFFAOYSA-N -2 0 390.392 2.963 20 0 GFADRL O=C([O-])NCCOc1cccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c1 ZINC000832671786 603399695 /nfs/dbraw/zinc/39/96/95/603399695.db2.gz HWWNQJQHBIVUFQ-UHFFFAOYSA-N -2 0 390.339 2.551 20 0 GFADRL C[C@H](C(=O)[N-]S(=O)(=O)CC1CCCCC1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823701298 604244849 /nfs/dbraw/zinc/24/48/49/604244849.db2.gz CFHMSZLDBNSWAS-BBRMVZONSA-N -2 0 382.482 2.658 20 0 GFADRL CCc1nc(-c2ccccc2[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)n[nH]1 ZINC000755419993 604537433 /nfs/dbraw/zinc/53/74/33/604537433.db2.gz IXGJTMXEPLOCEY-UHFFFAOYSA-N -2 0 390.396 2.672 20 0 GFADRL CCc1nc(-c2ccccc2[N-]S(=O)(=O)c2ccc(C=CC(=O)[O-])cc2)n[nH]1 ZINC000833676207 604538794 /nfs/dbraw/zinc/53/87/94/604538794.db2.gz GPMUCWNVMWOKET-FMIVXFBMSA-N -2 0 398.444 2.933 20 0 GFADRL O=C([O-])Cc1ccc(NS(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)cc1 ZINC000762442905 604631922 /nfs/dbraw/zinc/63/19/22/604631922.db2.gz HNCVYDGBZWYEKX-UHFFFAOYSA-N -2 0 387.772 2.605 20 0 GFADRL COc1cc([N-]S(=O)(=O)c2ccc(F)cc2C(=O)[O-])c(OC)cc1Cl ZINC000833729839 604745668 /nfs/dbraw/zinc/74/56/68/604745668.db2.gz RGLQMOAAZPRNMK-UHFFFAOYSA-N -2 0 389.788 2.995 20 0 GFADRL Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000832872266 604878961 /nfs/dbraw/zinc/87/89/61/604878961.db2.gz OCFJAWIZSKNHBR-UHFFFAOYSA-N -2 0 378.450 2.682 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c(C(=O)[O-])c1 ZINC000758162867 604953277 /nfs/dbraw/zinc/95/32/77/604953277.db2.gz HICUNNLVBGJLHT-UHFFFAOYSA-N -3 0 385.781 2.546 20 0 GFADRL CCC(CC)n1nc(C)cc1C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000833641685 605087030 /nfs/dbraw/zinc/08/70/30/605087030.db2.gz MSDKWVDITXYZEE-UHFFFAOYSA-N -2 0 393.465 2.511 20 0 GFADRL Cc1cc(F)c(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cc1F ZINC000833744614 605120031 /nfs/dbraw/zinc/12/00/31/605120031.db2.gz KZZCFNUPPAEFGA-UHFFFAOYSA-N -2 0 389.763 2.744 20 0 GFADRL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC000833741526 605127505 /nfs/dbraw/zinc/12/75/05/605127505.db2.gz QUQYWRBPTGKBAC-UHFFFAOYSA-N -2 0 381.410 2.880 20 0 GFADRL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)c1ccc(C(=O)CCC(=O)[O-])cc1 ZINC000833741674 605127618 /nfs/dbraw/zinc/12/76/18/605127618.db2.gz TUKNAJOBLKHMQB-UHFFFAOYSA-N -3 0 397.430 2.603 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c2cccnc12 ZINC000833733697 605167964 /nfs/dbraw/zinc/16/79/64/605167964.db2.gz ZQNVVSXPCMKQIE-UHFFFAOYSA-N -2 0 376.365 2.882 20 0 GFADRL CC(C)(C)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)n(-c2ccccn2)n1 ZINC000833450755 605182921 /nfs/dbraw/zinc/18/29/21/605182921.db2.gz YYBCGUZFZQPRIG-UHFFFAOYSA-N -2 0 390.421 2.657 20 0 GFADRL COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cccc(NC(=O)[O-])c2)c(OC)c1 ZINC000833732643 605198419 /nfs/dbraw/zinc/19/84/19/605198419.db2.gz XMRBTFCNYKGNIS-OAHLLOKOSA-N -2 0 388.376 2.740 20 0 GFADRL O=C([O-])N[C@@H](CC(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F)c1ccccc1 ZINC000834121213 606050008 /nfs/dbraw/zinc/05/00/08/606050008.db2.gz GLTZLQHKERLWPA-HOCLYGCPSA-N -2 0 378.331 2.606 20 0 GFADRL O=C([O-])Nc1ccc(CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1 ZINC000834254964 606050552 /nfs/dbraw/zinc/05/05/52/606050552.db2.gz CVRNOAVHJINLLQ-KRWDZBQOSA-N -2 0 381.388 2.612 20 0 GFADRL O=C([O-])C[C@@H](NC(=O)Cc1ccc(NC(=O)[O-])cc1)c1ccc(F)cc1F ZINC000834060881 606068040 /nfs/dbraw/zinc/06/80/40/606068040.db2.gz LRTQZQKSBCCYNF-OAHLLOKOSA-N -2 0 378.331 2.929 20 0 GFADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc2onc(Cl)c2c1 ZINC000821178429 660317996 /nfs/dbraw/zinc/31/79/96/660317996.db2.gz RXMMAFJVMOLLTG-UHFFFAOYSA-N -2 0 382.781 2.989 20 0 GFADRL CC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC000024429323 654544212 /nfs/dbraw/zinc/54/42/12/654544212.db2.gz SNMLEWQWVQDBBY-UHFFFAOYSA-N -2 0 382.463 2.775 20 0 GFADRL CCNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c1 ZINC000042796186 654645110 /nfs/dbraw/zinc/64/51/10/654645110.db2.gz BZANIYVRIMIFLX-UHFFFAOYSA-N -2 0 382.463 2.614 20 0 GFADRL O=c1[n-]c(-c2cc([N-]S(=O)(=O)c3cccs3)cc(C(F)(F)F)c2)n[nH]1 ZINC000057783983 654810268 /nfs/dbraw/zinc/81/02/68/654810268.db2.gz BWFMIKLDWKYDHS-UHFFFAOYSA-N -2 0 390.368 2.646 20 0 GFADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnc(Br)c(C)c1 ZINC000181176053 655333416 /nfs/dbraw/zinc/33/34/16/655333416.db2.gz MRVZWWIMMHPHOU-UHFFFAOYSA-N -2 0 375.200 2.553 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cnc1Br ZINC000318406728 655381027 /nfs/dbraw/zinc/38/10/27/655381027.db2.gz QBMQMHAAIMMNDV-UHFFFAOYSA-N -2 0 389.202 2.791 20 0 GFADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Br)nc1C ZINC000318522355 655381085 /nfs/dbraw/zinc/38/10/85/655381085.db2.gz RQSLSRAPDPCAMX-UHFFFAOYSA-N -2 0 385.239 2.960 20 0 GFADRL CC(C)n1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc(C(F)(F)F)c2)cn1 ZINC000266066322 655496191 /nfs/dbraw/zinc/49/61/91/655496191.db2.gz JVVCLZMRGCHPAU-UHFFFAOYSA-N -2 0 377.344 2.982 20 0 GFADRL O=C([O-])c1c(F)cc([N-]S(=O)(=O)c2c(Cl)nc3sccn32)cc1F ZINC000743262575 655727473 /nfs/dbraw/zinc/72/74/73/655727473.db2.gz QSVVSCVOJXATGU-UHFFFAOYSA-N -2 0 393.780 2.826 20 0 GFADRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000749838449 655808167 /nfs/dbraw/zinc/80/81/67/655808167.db2.gz WSUGGTKHKTWALC-UHFFFAOYSA-N -2 0 394.236 2.543 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2ccccc2N2CCOC2=O)sc1C(=O)[O-] ZINC000750567888 655815348 /nfs/dbraw/zinc/81/53/48/655815348.db2.gz HCABDMMWSHOHDE-UHFFFAOYSA-N -2 0 382.419 2.512 20 0 GFADRL Cc1noc2ncc([N-]S(=O)(=O)c3cc(C(=O)[O-])cc(C)c3Cl)cc12 ZINC000753781245 655858640 /nfs/dbraw/zinc/85/86/40/655858640.db2.gz XFJVGPGKTYYYIQ-UHFFFAOYSA-N -2 0 381.797 2.992 20 0 GFADRL Cc1sc(C(N)=O)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1Cl ZINC000753781432 655858659 /nfs/dbraw/zinc/85/86/59/655858659.db2.gz AKCXJQBLVNORFP-UHFFFAOYSA-N -2 0 388.854 2.616 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2[C@@H](O)C(F)(F)F)cs1 ZINC000758166023 655925057 /nfs/dbraw/zinc/92/50/57/655925057.db2.gz RPJKNQUBERPSGB-LLVKDONJSA-N -2 0 381.353 2.843 20 0 GFADRL O=C([O-])[C@H]([N-]S(=O)(=O)c1c(Cl)ccnc1Cl)c1c(F)cccc1F ZINC000776587232 656763528 /nfs/dbraw/zinc/76/35/28/656763528.db2.gz JVKBTUFDHSYJLF-SNVBAGLBSA-N -2 0 397.186 2.771 20 0 GFADRL COc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(OC)cc1Cl ZINC000790383813 657965424 /nfs/dbraw/zinc/96/54/24/657965424.db2.gz LFMQPLPDHZLNJC-UHFFFAOYSA-N -2 0 389.788 2.995 20 0 GFADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000799744502 659220877 /nfs/dbraw/zinc/22/08/77/659220877.db2.gz DSXVNSGRENNUTO-LDWIPMOCSA-N -2 0 394.198 2.859 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(OC(F)F)nc2)c1F ZINC000802722591 659495821 /nfs/dbraw/zinc/49/58/21/659495821.db2.gz CGVITFKTLVJWDZ-UHFFFAOYSA-N -2 0 376.312 2.630 20 0 GFADRL O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1cc(F)ccc1Cl ZINC000852732709 661872390 /nfs/dbraw/zinc/87/23/90/661872390.db2.gz GKAMBJCNRWSPLP-VXGBXAGGSA-N -2 0 382.741 2.575 20 0 GFADRL O=C([O-])CCCCC(=O)[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000863955506 662351076 /nfs/dbraw/zinc/35/10/76/662351076.db2.gz NZVMHPYCDLIJPO-UHFFFAOYSA-N -2 0 387.763 2.809 20 0 GFADRL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1occc1Br)C1CCCC1 ZINC000899930243 663702882 /nfs/dbraw/zinc/70/28/82/663702882.db2.gz PXRJQBQPIUILRJ-SNVBAGLBSA-N -2 0 380.260 2.602 20 0 GFADRL C[C@H](NC(=O)c1cc(Br)c([O-])c(Br)c1)[C@H](C)C(=O)[O-] ZINC000909646794 664165574 /nfs/dbraw/zinc/16/55/74/664165574.db2.gz DJHQMVKNPQBLKE-WDSKDSINSA-N -2 0 395.047 2.756 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2ccn(Cc3ccccc3)n2)sc1C(=O)[O-] ZINC000055635598 551173840 /nfs/dbraw/zinc/17/38/40/551173840.db2.gz XOBHYPYTPAPQSP-UHFFFAOYSA-N -2 0 377.447 2.800 20 0 GFADRL CS(=O)(=O)[N-]c1cc(F)ccc1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000179764661 552202398 /nfs/dbraw/zinc/20/23/98/552202398.db2.gz IUYZJVMYDBWNGM-UHFFFAOYSA-N -2 0 396.824 2.791 20 0 GFADRL COc1cc([N-]S(=O)(=O)c2ccc(Br)o2)ccc1C(=O)[O-] ZINC000432782453 563593017 /nfs/dbraw/zinc/59/30/17/563593017.db2.gz TYXOLUKEBDYEJH-UHFFFAOYSA-N -2 0 376.184 2.550 20 0 GFADRL COc1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2)ccc1C(=O)[O-] ZINC000432774471 563593262 /nfs/dbraw/zinc/59/32/62/563593262.db2.gz CGPIYTAUXIKVKH-UHFFFAOYSA-N -2 0 376.312 2.608 20 0 GFADRL Cc1c(Br)cc(S(=O)(=O)[N-]c2ccccc2O)cc1C(=O)[O-] ZINC000433801639 563619797 /nfs/dbraw/zinc/61/97/97/563619797.db2.gz LIEFIJCRSOZOMI-UHFFFAOYSA-N -2 0 386.223 2.962 20 0 GFADRL CC(=O)Nc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000438775223 563710228 /nfs/dbraw/zinc/71/02/28/563710228.db2.gz WNMFPLYZKZJTPD-UHFFFAOYSA-N -2 0 386.788 2.937 20 0 GFADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(OC(F)F)c(F)c2)c1O ZINC000447788199 563886511 /nfs/dbraw/zinc/88/65/11/563886511.db2.gz PSAKWEUAYHCXMG-UHFFFAOYSA-N -2 0 377.296 2.632 20 0 GFADRL O=C([O-])c1ccc(OC(F)(F)F)c([N-]S(=O)(=O)CCC(F)(F)F)c1 ZINC000564748723 564247496 /nfs/dbraw/zinc/24/74/96/564247496.db2.gz INEAEKVPARBYNT-UHFFFAOYSA-N -2 0 381.250 2.978 20 0 GFADRL Cc1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c(OCC(F)(F)F)c1 ZINC000509583917 564304838 /nfs/dbraw/zinc/30/48/38/564304838.db2.gz BCHGCOLVNAPNSZ-UHFFFAOYSA-N -2 0 378.328 2.763 20 0 GFADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c(OC)c(C)c1OC ZINC000478696426 564411811 /nfs/dbraw/zinc/41/18/11/564411811.db2.gz FJACBOGXTKHQLW-UHFFFAOYSA-N -2 0 387.435 2.581 20 0 GFADRL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)c1ccccc1F ZINC000547594977 564500294 /nfs/dbraw/zinc/50/02/94/564500294.db2.gz GGBBYPFPEHZOCE-CYBMUJFWSA-N -2 0 377.315 2.737 20 0 GFADRL CC(C)[C@H](C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000547608547 564501695 /nfs/dbraw/zinc/50/16/95/564501695.db2.gz HIHQOLLWZNRCAR-QMMMGPOBSA-N -2 0 385.225 2.537 20 0 GFADRL O=C([O-])c1cc(F)cc([N-]S(=O)(=O)c2ccc(Br)o2)c1F ZINC000547610492 564502223 /nfs/dbraw/zinc/50/22/23/564502223.db2.gz UDSWUAOIVIMZKY-UHFFFAOYSA-N -2 0 382.138 2.819 20 0 GFADRL O=C([O-])[C@H](C[N-]S(=O)(=O)c1c(F)cccc1F)Cc1ccccc1Cl ZINC000547880626 564515970 /nfs/dbraw/zinc/51/59/70/564515970.db2.gz UOWHYRWNZCSTKL-NSHDSACASA-N -2 0 389.807 2.840 20 0 GFADRL COC(=O)Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])s1 ZINC000548193461 564534707 /nfs/dbraw/zinc/53/47/07/564534707.db2.gz AYCKTOXRLFOCQE-UHFFFAOYSA-N -2 0 389.838 2.616 20 0 GFADRL O=C([O-])c1csc(Cc2ccc([N-]S(=O)(=O)c3cccnc3)cc2)n1 ZINC000548209929 564536905 /nfs/dbraw/zinc/53/69/05/564536905.db2.gz TWWRFOUWMGKJAU-UHFFFAOYSA-N -2 0 375.431 2.628 20 0 GFADRL Cc1c(Cl)cc(S(=O)(=O)[N-]c2cccc3[nH]c(=O)[nH]c32)cc1C(=O)[O-] ZINC000517791529 564542081 /nfs/dbraw/zinc/54/20/81/564542081.db2.gz NKLUQWBYPNNMBX-UHFFFAOYSA-N -2 0 381.797 2.729 20 0 GFADRL CCN(CC1CC1)S(=O)(=O)Nc1cc(C(=O)[O-])ccc1OC(F)(F)F ZINC000548591666 564564354 /nfs/dbraw/zinc/56/43/54/564564354.db2.gz COIWJUPFFHUGIH-UHFFFAOYSA-N -2 0 382.360 2.672 20 0 GFADRL CC[C@](C)(NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)C(=O)[O-] ZINC000485379458 564613170 /nfs/dbraw/zinc/61/31/70/564613170.db2.gz ZWGXURSSSWCQDW-INIZCTEOSA-N -2 0 382.463 2.532 20 0 GFADRL CCn1cnnc1-c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000521105404 564619176 /nfs/dbraw/zinc/61/91/76/564619176.db2.gz ODGDUOVSTLKPDR-UHFFFAOYSA-N -2 0 378.435 2.526 20 0 GFADRL C[C@H]1CCN(C(=O)N=c2nc(-c3ccccc3Cl)[n-]s2)C[C@H]1C(=O)[O-] ZINC000575749456 564702864 /nfs/dbraw/zinc/70/28/64/564702864.db2.gz SQWWBHMVFKJWRN-GXSJLCMTSA-N -2 0 380.857 2.855 20 0 GFADRL COC(=O)c1c(F)cccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000489700028 564748932 /nfs/dbraw/zinc/74/89/32/564748932.db2.gz WUACANOFJMBUKA-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)NCC1(c2ccccc2C)CC1 ZINC000582418208 564845856 /nfs/dbraw/zinc/84/58/56/564845856.db2.gz LRWICAGXKSNHRS-UHFFFAOYSA-N -2 0 381.475 2.773 20 0 GFADRL Cc1ncsc1[C@@H](NS(=O)(=O)c1csc(-c2ccccc2)n1)C(=O)[O-] ZINC000530339812 564876702 /nfs/dbraw/zinc/87/67/02/564876702.db2.gz VSZQOQOBFKDRKJ-GFCCVEGCSA-N -2 0 395.487 2.679 20 0 GFADRL CNC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000466326075 564938176 /nfs/dbraw/zinc/93/81/76/564938176.db2.gz OLXFRVNOSTZSDL-UHFFFAOYSA-N -2 0 382.825 2.507 20 0 GFADRL O=C([O-])c1cc(Br)cc(S(=O)(=O)[N-]c2ccc(F)cc2O)c1 ZINC000534972023 565000705 /nfs/dbraw/zinc/00/07/05/565000705.db2.gz PWEXXMQNKOXWAJ-UHFFFAOYSA-N -2 0 390.186 2.793 20 0 GFADRL O=C([O-])CCOc1ccc([N-]S(=O)(=O)c2c(F)cc(F)cc2F)cc1 ZINC000504508940 565041434 /nfs/dbraw/zinc/04/14/34/565041434.db2.gz ZGZCKFZDAMPOCN-UHFFFAOYSA-N -2 0 375.324 2.758 20 0 GFADRL CS(=O)(=O)[N-]c1cc(F)ccc1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000536905244 565049951 /nfs/dbraw/zinc/04/99/51/565049951.db2.gz PZVIUXIUNNKUPT-UHFFFAOYSA-N -2 0 396.824 2.791 20 0 GFADRL CC1(C)[C@H](CCC(=O)[O-])C[C@@H]1[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000657144706 565077598 /nfs/dbraw/zinc/07/75/98/565077598.db2.gz PVGWDPYSWDYNSV-XCBNKYQSSA-N -2 0 383.363 2.801 20 0 GFADRL O=C([O-])c1cc2c(cc1[N-]S(=O)(=O)c1cccc(Cl)c1F)OCCO2 ZINC000614764737 565131761 /nfs/dbraw/zinc/13/17/61/565131761.db2.gz RWOWTRFGWJWOFB-UHFFFAOYSA-N -2 0 387.772 2.749 20 0 GFADRL C[C@H]1C[C@H](S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC(F)(F)F)CCO1 ZINC000650412554 565817745 /nfs/dbraw/zinc/81/77/45/565817745.db2.gz LVSRXKLNDLLHCM-WCBMZHEXSA-N -2 0 383.344 2.593 20 0 GFADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2c(C)c(Cl)ccc2C(=O)[O-])cc1 ZINC000604307278 565926856 /nfs/dbraw/zinc/92/68/56/565926856.db2.gz BNULZWSPTDWSHV-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL C[C@@H](NC(=O)N=c1nc(-c2ccsc2)[n-]s1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653542115 565971546 /nfs/dbraw/zinc/97/15/46/565971546.db2.gz GUVWDSBCFYWWRK-DVVUODLYSA-N -2 0 380.495 2.945 20 0 GFADRL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1cnn(C)c1C(F)F ZINC000677849212 565985326 /nfs/dbraw/zinc/98/53/26/565985326.db2.gz ZYXFXMBDRBNUJZ-UHFFFAOYSA-N -2 0 379.772 2.819 20 0 GFADRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)C[C@@H](OC)C1CCCC1 ZINC000656621083 566148059 /nfs/dbraw/zinc/14/80/59/566148059.db2.gz MFQBCNJQPDDRBH-CYBMUJFWSA-N -2 0 391.873 2.994 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)N2CCCC2)o1 ZINC000740177898 599738184 /nfs/dbraw/zinc/73/81/84/599738184.db2.gz UOHRZHBFMLRELY-UHFFFAOYSA-N -2 0 398.824 2.668 20 0 GFADRL Cc1cc(Oc2ncccn2)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000738473981 599739038 /nfs/dbraw/zinc/73/90/38/599739038.db2.gz IESKPUUMCMUJKP-UHFFFAOYSA-N -2 0 375.362 2.669 20 0 GFADRL O=C([O-])Cn1ccc([N-]S(=O)(=O)c2ccc(OCC3CCCCC3)cc2)n1 ZINC000739920898 599739890 /nfs/dbraw/zinc/73/98/90/599739890.db2.gz UHERAWJPGJMSFY-UHFFFAOYSA-N -2 0 393.465 2.728 20 0 GFADRL Cc1ccc(S(=O)(=O)Nc2cccc(NC(=O)[O-])c2)c(C)c1OCC(=O)[O-] ZINC000738655419 599769318 /nfs/dbraw/zinc/76/93/18/599769318.db2.gz TYUZDOAHXMBUDC-UHFFFAOYSA-N -2 0 394.405 2.658 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2cc(C)c(C(=O)[O-])s2)cc1NC(C)=O ZINC000326655748 599876165 /nfs/dbraw/zinc/87/61/65/599876165.db2.gz CHBXAEYCSKMHQO-UHFFFAOYSA-N -2 0 384.435 2.523 20 0 GFADRL COc1cc([N-]S(=O)(=O)c2cc(F)c(F)cc2F)c(C(=O)[O-])cc1OC ZINC000547560562 599885536 /nfs/dbraw/zinc/88/55/36/599885536.db2.gz SKQJJQCBDOPWKK-UHFFFAOYSA-N -2 0 391.323 2.620 20 0 GFADRL Cc1oc(C)c(S(=O)(=O)[N-]c2cccc(-c3nccn3C)c2)c1C(=O)[O-] ZINC000738969535 599886106 /nfs/dbraw/zinc/88/61/06/599886106.db2.gz LQQMJQVVODCPGS-UHFFFAOYSA-N -2 0 375.406 2.796 20 0 GFADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2nc(CN3CCCCC3)cs2)c1 ZINC000740271646 600054321 /nfs/dbraw/zinc/05/43/21/600054321.db2.gz NXZWTNBSBWJWLU-UHFFFAOYSA-N -2 0 387.508 2.690 20 0 GFADRL CCCn1nccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Br ZINC000737049231 600055577 /nfs/dbraw/zinc/05/55/77/600055577.db2.gz CYBQVNAQXNDDIA-UHFFFAOYSA-N -2 0 388.243 2.555 20 0 GFADRL Cc1cccc(Cn2nccc2[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1 ZINC000738720540 600055830 /nfs/dbraw/zinc/05/58/30/600055830.db2.gz CGOGQXGWTPNSPQ-UHFFFAOYSA-N -2 0 389.408 2.878 20 0 GFADRL CC(=O)Nc1nc(C)c(S(=O)(=O)[N-]c2cc(Cl)ccc2C(=O)[O-])s1 ZINC000736169709 600093089 /nfs/dbraw/zinc/09/30/89/600093089.db2.gz UBRZSWYACVWVCD-UHFFFAOYSA-N -2 0 389.842 2.562 20 0 GFADRL Cc1ccc(Cn2nccc2[N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])o1 ZINC000738604715 600102407 /nfs/dbraw/zinc/10/24/07/600102407.db2.gz LEUJSHZHCJPBAW-UHFFFAOYSA-N -2 0 379.394 2.542 20 0 GFADRL Cn1c(=O)c2ccc(-c3nc(-c4ccc(C(=O)[O-])cc4)no3)cc2[n-]c1=S ZINC000739015261 600115824 /nfs/dbraw/zinc/11/58/24/600115824.db2.gz YMTNTSTVCJRLBJ-UHFFFAOYSA-N -2 0 380.385 2.637 20 0 GFADRL CC(C)n1nccc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000736540806 600126819 /nfs/dbraw/zinc/12/68/19/600126819.db2.gz MNQVQNQLUKZKHN-UHFFFAOYSA-N -2 0 377.344 2.982 20 0 GFADRL Cc1nc(-c2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(F)cc3F)c2)n[nH]1 ZINC000738831398 600234344 /nfs/dbraw/zinc/23/43/44/600234344.db2.gz CNBKKTWSDAXOLO-UHFFFAOYSA-N -2 0 394.359 2.557 20 0 GFADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)N(CC)c1ccccc1C(=O)[O-] ZINC000737258253 600245556 /nfs/dbraw/zinc/24/55/56/600245556.db2.gz ZZJQHYNZJOCIJU-UHFFFAOYSA-N -2 0 377.418 2.861 20 0 GFADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)N1CCCc2cc(C(=O)[O-])ccc21 ZINC000556349900 600253425 /nfs/dbraw/zinc/25/34/25/600253425.db2.gz OVEWIJKKLHBTTQ-UHFFFAOYSA-N -2 0 393.392 2.672 20 0 GFADRL CCCn1cc([C@@H]2NC(=O)N(Cc3ccc(C(=O)[O-])cc3)C(C)=C2C(=O)[O-])cn1 ZINC000737049622 600254026 /nfs/dbraw/zinc/25/40/26/600254026.db2.gz DXPCXMDWMNCITL-KRWDZBQOSA-N -2 0 398.419 2.616 20 0 GFADRL CC(C)OC(=O)NCc1ccc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])cc1 ZINC000736484852 600254485 /nfs/dbraw/zinc/25/44/85/600254485.db2.gz LGMBPTGAXBJVLH-UHFFFAOYSA-N -2 0 398.462 2.882 20 0 GFADRL Cc1csc([N-]S(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2)n1 ZINC000738822015 600360918 /nfs/dbraw/zinc/36/09/18/600360918.db2.gz WJHWXAIBPUGAHI-UHFFFAOYSA-N -2 0 377.241 2.713 20 0 GFADRL C[C@@H](CC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000736549710 600463827 /nfs/dbraw/zinc/46/38/27/600463827.db2.gz YBFMKOZFCBZCAG-JTQLQIEISA-N -2 0 381.372 2.510 20 0 GFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)cc1Cl ZINC000115876969 600482878 /nfs/dbraw/zinc/48/28/78/600482878.db2.gz GSFQTYVFIGJVBO-UHFFFAOYSA-N -2 0 398.799 2.863 20 0 GFADRL O=C([O-])CCCOc1ccc(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000739686972 600489677 /nfs/dbraw/zinc/48/96/77/600489677.db2.gz IXCHBVAOMQYNOG-UHFFFAOYSA-N -2 0 397.380 2.568 20 0 GFADRL Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)c1Cl ZINC000321285634 600530490 /nfs/dbraw/zinc/53/04/90/600530490.db2.gz JEYQFTGAAJOHHT-UHFFFAOYSA-N -2 0 378.237 2.692 20 0 GFADRL Cc1ccsc1Cn1nccc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000738798913 600629705 /nfs/dbraw/zinc/62/97/05/600629705.db2.gz UFGDCPXEURQYPE-UHFFFAOYSA-N -2 0 391.474 2.729 20 0 GFADRL CCOc1ccc(S(=O)(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cc1C(=O)[O-] ZINC000737210080 600636580 /nfs/dbraw/zinc/63/65/80/600636580.db2.gz IRFQNCVGIAQYDI-UHFFFAOYSA-N -2 0 399.808 2.936 20 0 GFADRL O=C([O-])c1cc(N2CCOCC2)ccc1NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000739474723 600667073 /nfs/dbraw/zinc/66/70/73/600667073.db2.gz FZJBHKBWHLPYBF-UHFFFAOYSA-N -2 0 399.428 2.904 20 0 GFADRL CCc1nnc(-c2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3F)cc2)o1 ZINC000745978939 600690739 /nfs/dbraw/zinc/69/07/39/600690739.db2.gz DXVUJSXTOMIXQE-UHFFFAOYSA-N -2 0 391.380 2.937 20 0 GFADRL Cn1cc(S(=O)(=O)[N-]c2cc(F)ccc2N2CCCCC2)cc1C(=O)[O-] ZINC000833055498 600779020 /nfs/dbraw/zinc/77/90/20/600779020.db2.gz IHGSYFCUTIHJQD-UHFFFAOYSA-N -2 0 381.429 2.654 20 0 GFADRL COCCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000048382764 600811499 /nfs/dbraw/zinc/81/14/99/600811499.db2.gz ZQCZFKKYKMLMGN-UHFFFAOYSA-N -2 0 379.434 2.828 20 0 GFADRL Cn1cc(S(=O)(=O)[N-]c2cccc(OCc3cscn3)c2)cc1C(=O)[O-] ZINC000550128849 600814808 /nfs/dbraw/zinc/81/48/08/600814808.db2.gz QBSKSPOSGYHKBI-UHFFFAOYSA-N -2 0 393.446 2.560 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)n(-c2ccc(Cl)cc2)n1 ZINC000832898134 600815311 /nfs/dbraw/zinc/81/53/11/600815311.db2.gz BNSMPBVIECIFHU-UHFFFAOYSA-N -2 0 394.840 2.672 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2cnc(-c3cccc(O)c3)nc2)ccc1C(=O)[O-] ZINC000367515980 600891168 /nfs/dbraw/zinc/89/11/68/600891168.db2.gz ZKBSLUMPOSWBBU-UHFFFAOYSA-N -2 0 385.401 2.657 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@]23CCCc2ccccc23)s1 ZINC000833324292 600941432 /nfs/dbraw/zinc/94/14/32/600941432.db2.gz BMRVTSIJJNDFSY-SCLBCKFNSA-N -2 0 391.470 2.545 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(-c3cn4c(n3)CCCC4)cc2)c[nH]1 ZINC000833304225 600979782 /nfs/dbraw/zinc/97/97/82/600979782.db2.gz VWBYPZRTQFAGSI-UHFFFAOYSA-N -2 0 386.433 2.714 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2OCCn2ccnc2)cs1 ZINC000833306365 600980019 /nfs/dbraw/zinc/98/00/19/600980019.db2.gz YZSWEYMYHDKXFJ-UHFFFAOYSA-N -2 0 393.446 2.523 20 0 GFADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)[N-]c2ncc(C(C)(C)C)s2)c1 ZINC000831370456 600985834 /nfs/dbraw/zinc/98/58/34/600985834.db2.gz OGLYPWLHYXYJRO-UHFFFAOYSA-N -2 0 398.462 2.726 20 0 GFADRL Cc1ccccc1-c1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)n(C)n1 ZINC000832974580 600994920 /nfs/dbraw/zinc/99/49/20/600994920.db2.gz RQARDNZSEAOTHZ-UHFFFAOYSA-N -2 0 377.447 2.956 20 0 GFADRL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2O)cc1 ZINC000462106474 601116411 /nfs/dbraw/zinc/11/64/11/601116411.db2.gz XIFYBSZSJLSRAY-UHFFFAOYSA-N -2 0 391.323 2.675 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc2c(c1)OC(F)(F)O2 ZINC000831945961 601150429 /nfs/dbraw/zinc/15/04/29/601150429.db2.gz NJOBELLXWGZQOF-UHFFFAOYSA-N -2 0 393.345 2.577 20 0 GFADRL Cc1ccc(OCCCC(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])cc1C ZINC000832952178 601192819 /nfs/dbraw/zinc/19/28/19/601192819.db2.gz GUYABKVPMUZCTD-UHFFFAOYSA-N -2 0 397.474 2.727 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccccc1N1CCCC1 ZINC000831946796 601200850 /nfs/dbraw/zinc/20/08/50/601200850.db2.gz YQUXEZJJMGDIGX-UHFFFAOYSA-N -2 0 382.463 2.856 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccnn1C1CCCCC1 ZINC000831949996 601200899 /nfs/dbraw/zinc/20/08/99/601200899.db2.gz KMTIBKSPCHCYPO-UHFFFAOYSA-N -2 0 385.467 2.957 20 0 GFADRL Cc1c(C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)cnc2ccccc12 ZINC000832850589 601206959 /nfs/dbraw/zinc/20/69/59/601206959.db2.gz OMAGOLHYPIYJKB-UHFFFAOYSA-N -2 0 384.413 2.501 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)oc1C ZINC000267512428 601233323 /nfs/dbraw/zinc/23/33/23/601233323.db2.gz KNECVKOERAAQKQ-UHFFFAOYSA-N -2 0 381.406 2.538 20 0 GFADRL O=C([O-])[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cc(Cl)sc2Cl)C1 ZINC000833185827 601236254 /nfs/dbraw/zinc/23/62/54/601236254.db2.gz YXFMFIRDWUMOSO-RNFRBKRXSA-N -2 0 386.278 2.751 20 0 GFADRL CC(C)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)c(C(=O)[O-])c1 ZINC000827124837 601249758 /nfs/dbraw/zinc/24/97/58/601249758.db2.gz RWMCMSKMCYAREW-UHFFFAOYSA-N -3 0 379.390 2.713 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)N(CCC(=O)[O-])Cc2ccccc2)c1C ZINC000013078883 601318949 /nfs/dbraw/zinc/31/89/49/601318949.db2.gz CLRFFFAZWQOTMS-UHFFFAOYSA-N -2 0 391.445 2.667 20 0 GFADRL COC(=O)/C=C/c1ccc(S(=O)(=O)[N-]c2cc(C)c(C(=O)[O-])s2)cc1 ZINC000831124081 601320233 /nfs/dbraw/zinc/32/02/33/601320233.db2.gz LKUFURZLZTVEDO-VMPITWQZSA-N -2 0 381.431 2.742 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2C(=O)NC(C)C)c1C ZINC000032602140 601322230 /nfs/dbraw/zinc/32/22/30/601322230.db2.gz OLZDNGSXNSGFEE-UHFFFAOYSA-N -2 0 390.461 2.941 20 0 GFADRL COCCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)c(C)c1 ZINC000055643637 601324072 /nfs/dbraw/zinc/32/40/72/601324072.db2.gz MNSRVJUAABCHKM-UHFFFAOYSA-N -2 0 395.433 2.528 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)c(NC(C)=O)c1 ZINC000063443745 601326432 /nfs/dbraw/zinc/32/64/32/601326432.db2.gz SWOXGIFRNOGCPL-UHFFFAOYSA-N -2 0 398.824 2.806 20 0 GFADRL Cc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1nc(CC(=O)[O-])cs1 ZINC000832923582 601358733 /nfs/dbraw/zinc/35/87/33/601358733.db2.gz QGDJMDOGZXLAIE-UHFFFAOYSA-N -2 0 380.369 2.898 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)n(Cc2ccccc2)n1 ZINC000832899416 601358795 /nfs/dbraw/zinc/35/87/95/601358795.db2.gz KNVLDYVOEGXWJJ-UHFFFAOYSA-N -2 0 389.408 2.878 20 0 GFADRL C/C(=C/COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)C(=O)[O-] ZINC000825780261 601408146 /nfs/dbraw/zinc/40/81/46/601408146.db2.gz BUSHCZFKLDXIAB-BENRWUELSA-N -2 0 393.392 2.814 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OCC(F)F)cc1 ZINC000481953267 601475629 /nfs/dbraw/zinc/47/56/29/601475629.db2.gz WZOYHOONNUZZON-UHFFFAOYSA-N -2 0 387.360 2.838 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CC3)c(Cl)cc1F ZINC000741653086 601484764 /nfs/dbraw/zinc/48/47/64/601484764.db2.gz FKWMUPWVABVDNM-UHFFFAOYSA-N -2 0 398.799 2.863 20 0 GFADRL Cc1ccccc1-c1cc([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])n[nH]1 ZINC000832975059 601486107 /nfs/dbraw/zinc/48/61/07/601486107.db2.gz XBOLDRVTTKXPNB-UHFFFAOYSA-N -2 0 392.824 2.933 20 0 GFADRL CCCCc1nnc([N-]S(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)s1 ZINC000829440083 601502339 /nfs/dbraw/zinc/50/23/39/601502339.db2.gz IOCHWGUSBPLVET-UHFFFAOYSA-N -2 0 385.467 2.535 20 0 GFADRL CC(C)(C)c1nnc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)s1 ZINC000826528290 601502898 /nfs/dbraw/zinc/50/28/98/601502898.db2.gz UEEHPTDSNUJXMI-UHFFFAOYSA-N -2 0 375.859 2.988 20 0 GFADRL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000754254679 601574886 /nfs/dbraw/zinc/57/48/86/601574886.db2.gz CKARDYGFLFHWDP-UHFFFAOYSA-N -3 0 397.380 2.810 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2csnc2C(=O)[O-])ccc1Br ZINC000832904535 601603978 /nfs/dbraw/zinc/60/39/78/601603978.db2.gz QVIPYLQWIPADGU-UHFFFAOYSA-N -2 0 377.241 2.713 20 0 GFADRL O=C([O-])[C@H](NC(=O)CSc1n[n-]c(=S)s1)c1ccc(Cl)cc1 ZINC000833116334 601698985 /nfs/dbraw/zinc/69/89/85/601698985.db2.gz QRGNULAPUCHSRQ-SECBINFHSA-N -2 0 375.884 2.514 20 0 GFADRL COc1ccc([C@H](CC(=O)[O-])NC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])cc1 ZINC000832241558 601755903 /nfs/dbraw/zinc/75/59/03/601755903.db2.gz SVFGVVPKUIIPRQ-INIZCTEOSA-N -2 0 399.378 2.671 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])c(Cl)cc1F ZINC000831348362 601829161 /nfs/dbraw/zinc/82/91/61/601829161.db2.gz FSSFBKFMOVSSIN-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL CC(C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000751145010 601834325 /nfs/dbraw/zinc/83/43/25/601834325.db2.gz ACWHTNSISKDEST-UHFFFAOYSA-N -2 0 398.387 2.602 20 0 GFADRL COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1ccc(CN(C)C(=O)[O-])cc1 ZINC000831226822 601862977 /nfs/dbraw/zinc/86/29/77/601862977.db2.gz SNKOZFWGRAYZKM-UHFFFAOYSA-N -2 0 396.396 2.523 20 0 GFADRL Cc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000762618999 601881016 /nfs/dbraw/zinc/88/10/16/601881016.db2.gz ZQBWSHTXFGTBAL-UHFFFAOYSA-N -2 0 387.772 2.985 20 0 GFADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)N1CCCc2cc(C(=O)[O-])ccc21 ZINC000551473693 601984140 /nfs/dbraw/zinc/98/41/40/601984140.db2.gz FYGINOQTYSVXQA-UHFFFAOYSA-N -2 0 375.402 2.533 20 0 GFADRL CC1=C(C(=O)[O-])[C@@H](c2cnc(C(C)C)s2)NC(=O)N1CCCCC(=O)[O-] ZINC000828134533 602233358 /nfs/dbraw/zinc/23/33/58/602233358.db2.gz HQPRFEOTZMNIJS-CQSZACIVSA-N -2 0 381.454 2.946 20 0 GFADRL Cn1c(=O)c2ccc(C(=O)Nc3ccc4c(c3)CCN4C(=O)[O-])cc2[n-]c1=S ZINC000740283205 602252383 /nfs/dbraw/zinc/25/23/83/602252383.db2.gz KXLFRRYMKPUUCC-UHFFFAOYSA-N -2 0 396.428 2.515 20 0 GFADRL CCCc1cc([N-]S(=O)(=O)c2ccc(Br)c(C(=O)[O-])c2)n[nH]1 ZINC000317662325 602305695 /nfs/dbraw/zinc/30/56/95/602305695.db2.gz UMEPEAKFLXCQIF-UHFFFAOYSA-N -2 0 388.243 2.624 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3[nH]nnc3c2)c(Cl)cc1Cl ZINC000755255472 602318447 /nfs/dbraw/zinc/31/84/47/602318447.db2.gz DTKKYWPPESNLPV-UHFFFAOYSA-N -2 0 387.204 2.764 20 0 GFADRL CN(c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1)C1CCCC1 ZINC000830888080 602321050 /nfs/dbraw/zinc/32/10/50/602321050.db2.gz FJESNSCPDHPYOS-UHFFFAOYSA-N -2 0 377.466 2.903 20 0 GFADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000740282861 602645544 /nfs/dbraw/zinc/64/55/44/602645544.db2.gz ZJEVUBQIBNFFHT-UHFFFAOYSA-N -2 0 382.419 2.596 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(=O)[O-])sc1C(=O)[O-] ZINC000740094117 602646429 /nfs/dbraw/zinc/64/64/29/602646429.db2.gz QFPPDMPJZPGKED-UHFFFAOYSA-N -3 0 396.446 2.986 20 0 GFADRL C[C@H](NC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1 ZINC000825448643 603402426 /nfs/dbraw/zinc/40/24/26/603402426.db2.gz GGRUQEWJSYIPHD-VIFPVBQESA-N -3 0 382.369 2.653 20 0 GFADRL Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1ccc2c(c1)CCN2C(=O)[O-] ZINC000740244693 603421204 /nfs/dbraw/zinc/42/12/04/603421204.db2.gz UFBCBUFPMFNENV-UHFFFAOYSA-N -2 0 378.454 2.922 20 0 GFADRL Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1cccc2c1CCN(C(=O)[O-])C2 ZINC000740243229 603421433 /nfs/dbraw/zinc/42/14/33/603421433.db2.gz NLUYOSLABVIDEP-UHFFFAOYSA-N -2 0 392.481 2.918 20 0 GFADRL Cc1ccc(-n2[n-]c(C(=O)N3CCN(C(=O)[O-])Cc4ccccc43)cc2=O)cc1 ZINC000830165979 603745653 /nfs/dbraw/zinc/74/56/53/603745653.db2.gz SOQHTUSGTVVYHI-UHFFFAOYSA-N -2 0 392.415 2.614 20 0 GFADRL CCc1ccccc1-n1cc([O-])c(C(=O)N2CCC[C@@H](CN(C)C(=O)[O-])C2)n1 ZINC000827601351 603837590 /nfs/dbraw/zinc/83/75/90/603837590.db2.gz XNEGQCFRRDQECB-AWEZNQCLSA-N -2 0 386.452 2.602 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)[C@@H](NC(=O)[O-])c2ccccc2)cc1C ZINC000830415143 604209368 /nfs/dbraw/zinc/20/93/68/604209368.db2.gz QANNFTSGSTVIBU-WMLDXEAASA-N -2 0 390.461 2.753 20 0 GFADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CCC[C@@H]([C@@H](C)NC(=O)[O-])C2)n1 ZINC000830068827 604251161 /nfs/dbraw/zinc/25/11/61/604251161.db2.gz PLJUDLUNAHGZPL-CHWSQXEVSA-N -2 0 390.415 2.534 20 0 GFADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)c1ccc(-c2ccco2)s1 ZINC000833148353 604406673 /nfs/dbraw/zinc/40/66/73/604406673.db2.gz HTMOGRKNZZHAIA-UHFFFAOYSA-N -2 0 383.428 2.887 20 0 GFADRL CC(C)(C)c1nc([N-]S(=O)(=O)c2cncc(Cl)c2)sc1C(=O)[O-] ZINC000833450668 604499675 /nfs/dbraw/zinc/49/96/75/604499675.db2.gz HSCCSNJTWBIZDW-UHFFFAOYSA-N -2 0 375.859 2.988 20 0 GFADRL Cc1cc(Br)cnc1[N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000832858207 604621535 /nfs/dbraw/zinc/62/15/35/604621535.db2.gz DERQENDORHTPKM-UHFFFAOYSA-N -2 0 389.202 2.791 20 0 GFADRL CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)[O-])c2)c1C ZINC000829869960 604767350 /nfs/dbraw/zinc/76/73/50/604767350.db2.gz WSDFMRGLNVVPKJ-UHFFFAOYSA-N -2 0 399.400 2.838 20 0 GFADRL C[C@H](CSCc1ccccc1)C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000827581975 604812858 /nfs/dbraw/zinc/81/28/58/604812858.db2.gz VXCICICEYLYACY-LLVKDONJSA-N -2 0 399.515 2.821 20 0 GFADRL CC(C)(CCC(=O)[O-])NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000833457059 604880654 /nfs/dbraw/zinc/88/06/54/604880654.db2.gz JGWDDFZKPBFXCU-UHFFFAOYSA-N -2 0 384.237 2.613 20 0 GFADRL CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccsc2C(=O)[O-])c1 ZINC000833687334 604926093 /nfs/dbraw/zinc/92/60/93/604926093.db2.gz NOIFRHWMQUVAOX-UHFFFAOYSA-N -2 0 388.854 2.602 20 0 GFADRL COCc1ccc(S(=O)(=O)[N-]c2nc3nc(C)cc(C(=O)[O-])c3s2)cc1 ZINC000833726113 605049933 /nfs/dbraw/zinc/04/99/33/605049933.db2.gz RPTRIANETMYSFJ-UHFFFAOYSA-N -2 0 393.446 2.645 20 0 GFADRL C[C@H](CCCc1ccccc1)C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000833515842 605085308 /nfs/dbraw/zinc/08/53/08/605085308.db2.gz ZTXULSDEACRRDB-GFCCVEGCSA-N -2 0 381.475 2.910 20 0 GFADRL CC(C)(C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1)c1ccccc1 ZINC000833411828 605118000 /nfs/dbraw/zinc/11/80/00/605118000.db2.gz REQMWXSZHNARRH-UHFFFAOYSA-N -2 0 381.837 2.821 20 0 GFADRL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)c1ccc(N2CCOC2=O)cc1 ZINC000833741275 605126702 /nfs/dbraw/zinc/12/67/02/605126702.db2.gz FNOXIDWKRYTNHQ-UHFFFAOYSA-N -2 0 382.419 2.512 20 0 GFADRL CC(C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1C(=O)[O-] ZINC000833502359 605167681 /nfs/dbraw/zinc/16/76/81/605167681.db2.gz QIOXZGMBEMUVRE-UHFFFAOYSA-N -2 0 396.852 2.977 20 0 GFADRL COC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2sc(C)c(C)c2C(=O)[O-])c1 ZINC000833715512 605302523 /nfs/dbraw/zinc/30/25/23/605302523.db2.gz BAPOCFFTDWAQIG-UHFFFAOYSA-N -2 0 387.410 2.790 20 0 GFADRL O=C([O-])Cc1ccc([N-]S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1 ZINC000185568723 605325286 /nfs/dbraw/zinc/32/52/86/605325286.db2.gz UXYANGILXAKMJN-UHFFFAOYSA-N -2 0 381.278 2.810 20 0 GFADRL COc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)cc(OC)c1C(C)C ZINC000833728852 605420816 /nfs/dbraw/zinc/42/08/16/605420816.db2.gz ATJAVXNRYCLBGV-UHFFFAOYSA-N -2 0 380.422 2.721 20 0 GFADRL O=C([O-])NC[C@H](NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-])c1ccc2ccccc2c1 ZINC000834208766 605622622 /nfs/dbraw/zinc/62/26/22/605622622.db2.gz VTJZZIQQEOUJEH-SQNIBIBYSA-N -2 0 382.416 2.932 20 0 GFADRL O=C([O-])N[C@@H](CCC(=O)N[C@@]1(C(=O)[O-])CCc2ccccc21)c1ccccc1 ZINC000834137733 606051864 /nfs/dbraw/zinc/05/18/64/606051864.db2.gz OKMUONALOLVBCO-UWJYYQICSA-N -2 0 382.416 2.818 20 0 GFADRL O=C([O-])NCCOc1ccc([N-]S(=O)(=O)c2cc(F)ccc2Cl)cc1 ZINC000834245225 606081326 /nfs/dbraw/zinc/08/13/26/606081326.db2.gz KHSKYZZOISLFNU-UHFFFAOYSA-N -2 0 388.804 2.926 20 0 GFADRL O=C([O-])NCCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000834244912 606081551 /nfs/dbraw/zinc/08/15/51/606081551.db2.gz GFHWUIRPATYELX-UHFFFAOYSA-N -2 0 376.843 2.849 20 0 GFADRL O=C([O-])N[C@H](CCC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000834138793 606112834 /nfs/dbraw/zinc/11/28/34/606112834.db2.gz WYMRFFUOLULZIV-ZWKOTPCHSA-N -2 0 382.416 2.986 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2-n2cncn2)sc1C(=O)[O-] ZINC000042794672 654644855 /nfs/dbraw/zinc/64/48/55/654644855.db2.gz KMCAWTNPYWBLTJ-UHFFFAOYSA-N -2 0 398.853 2.790 20 0 GFADRL COc1cc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)ccc1NC(C)=O ZINC000042792035 654644901 /nfs/dbraw/zinc/64/49/01/654644901.db2.gz PTDUGERHABXECO-UHFFFAOYSA-N -2 0 384.435 2.523 20 0 GFADRL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2C(N)=O)cc1C(=O)[O-] ZINC000063182299 654849989 /nfs/dbraw/zinc/84/99/89/654849989.db2.gz UMLZRIBPPBEVAY-UHFFFAOYSA-N -2 0 382.825 2.555 20 0 GFADRL COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])c(C)c1 ZINC000063476260 654853279 /nfs/dbraw/zinc/85/32/79/654853279.db2.gz KWVFNKYXKCYDFJ-UHFFFAOYSA-N -2 0 385.825 2.921 20 0 GFADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(N2CCOC2=O)c1 ZINC000327653042 655386295 /nfs/dbraw/zinc/38/62/95/655386295.db2.gz WJEONVWMQODTKF-UHFFFAOYSA-N -2 0 382.419 2.512 20 0 GFADRL Cc1cccc(C(N)=O)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1Cl ZINC000753769579 655858264 /nfs/dbraw/zinc/85/82/64/655858264.db2.gz GPHGZYHBORRTEP-UHFFFAOYSA-N -2 0 382.825 2.555 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cnn(C)c2C(F)F)c1Cl ZINC000759102140 655947551 /nfs/dbraw/zinc/94/75/51/655947551.db2.gz JSKUYZZUNFHLCV-UHFFFAOYSA-N -2 0 379.772 2.819 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2)cc(F)c1F ZINC000761289831 656008223 /nfs/dbraw/zinc/00/82/23/656008223.db2.gz HVODBTUUUOPPCT-UHFFFAOYSA-N -2 0 382.266 2.878 20 0 GFADRL COC(=O)c1sccc1[N-]S(=O)(=O)c1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC000767735400 656217507 /nfs/dbraw/zinc/21/75/07/656217507.db2.gz GWDKYOYJDHLUNX-UHFFFAOYSA-N -2 0 393.801 2.826 20 0 GFADRL O=C([O-])CCCCCC[N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000776441991 656742174 /nfs/dbraw/zinc/74/21/74/656742174.db2.gz UEIJWFPRXHTYLH-UHFFFAOYSA-N -2 0 375.315 2.696 20 0 GFADRL CC(C)n1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)c(Cl)c2F)cn1 ZINC000779832383 656946746 /nfs/dbraw/zinc/94/67/46/656946746.db2.gz PPTHHLVJNJYBBX-UHFFFAOYSA-N -2 0 379.772 2.895 20 0 GFADRL Cc1nc(Cl)ccc1[N-]S(=O)(=O)c1ccc(C(=O)CCC(=O)[O-])cc1 ZINC000788495518 657730362 /nfs/dbraw/zinc/73/03/62/657730362.db2.gz OCLILJBNNBHREK-UHFFFAOYSA-N -2 0 382.825 2.892 20 0 GFADRL Cc1cc(S(=O)(=O)N(C)c2ccccc2C(=O)[O-])cc(C(=O)[O-])c1Cl ZINC000790402188 657969123 /nfs/dbraw/zinc/96/91/23/657969123.db2.gz CRXJGKZXOIQJJO-UHFFFAOYSA-N -2 0 383.809 2.870 20 0 GFADRL O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1cc(F)ccc1Cl ZINC000852732706 661872507 /nfs/dbraw/zinc/87/25/07/661872507.db2.gz GKAMBJCNRWSPLP-NEPJUHHUSA-N -2 0 382.741 2.575 20 0 GFADRL C[C@H](c1ccc(Cl)cc1Cl)S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C1CC1 ZINC000863957676 662351036 /nfs/dbraw/zinc/35/10/36/662351036.db2.gz SBEXTLFNLLDQHD-JMCQJSRRSA-N -2 0 380.249 2.611 20 0 GFADRL CC[C@H](CNC(=O)c1cc(Br)c([O-])c(Br)c1)C(=O)[O-] ZINC000902847711 663768617 /nfs/dbraw/zinc/76/86/17/663768617.db2.gz HJPUEEVJCUYCHV-ZCFIWIBFSA-N -2 0 395.047 2.758 20 0 GFADRL O=C([O-])C1(CNC(=O)c2cc(Br)c([O-])c(Br)c2)CC1 ZINC000909642221 664165681 /nfs/dbraw/zinc/16/56/81/664165681.db2.gz NNCVHIFEWAHGHR-UHFFFAOYSA-N -2 0 393.031 2.512 20 0 GFADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ccc(Br)nc2)cc1 ZINC000389312796 677408190 /nfs/dbraw/zinc/40/81/90/677408190.db2.gz GEGYTVGPEIPTEF-UHFFFAOYSA-N -2 0 385.239 2.662 20 0 GFADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000019100067 551114668 /nfs/dbraw/zinc/11/46/68/551114668.db2.gz CPHGZZWXAGMSOT-UHFFFAOYSA-N -2 0 381.460 2.912 20 0 GFADRL CCCNC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc1 ZINC000055665561 551174525 /nfs/dbraw/zinc/17/45/25/551174525.db2.gz VUHLHKWUSZXGHW-UHFFFAOYSA-N -2 0 382.463 2.695 20 0 GFADRL CS(=O)(=O)[N-]c1cc(F)ccc1[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000126376694 551329288 /nfs/dbraw/zinc/32/92/88/551329288.db2.gz POPIGEOLTIHDRD-UHFFFAOYSA-N -2 0 396.824 2.791 20 0 GFADRL Cc1cc(C)c([N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)c(C(=O)[O-])c1 ZINC000295960760 563269765 /nfs/dbraw/zinc/26/97/65/563269765.db2.gz MRKQAUFYCMTQAL-UHFFFAOYSA-N -2 0 377.344 2.555 20 0 GFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2F)cc1O ZINC000317513400 563442941 /nfs/dbraw/zinc/44/29/41/563442941.db2.gz IFJXHODGZMSBOX-UHFFFAOYSA-N -2 0 390.186 2.793 20 0 GFADRL COc1cc(OC)c([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)cc1Cl ZINC000324703980 563452816 /nfs/dbraw/zinc/45/28/16/563452816.db2.gz AIBVUPNBMFDLFK-UHFFFAOYSA-N -2 0 375.786 2.758 20 0 GFADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)c(OC)cc1Cl ZINC000325023658 563453100 /nfs/dbraw/zinc/45/31/00/563453100.db2.gz JMNWNMGUGGDABL-UHFFFAOYSA-N -2 0 375.786 2.758 20 0 GFADRL CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cc1 ZINC000327810900 563460032 /nfs/dbraw/zinc/46/00/32/563460032.db2.gz IAPZQJBVZPCZRB-UHFFFAOYSA-N -2 0 382.825 2.541 20 0 GFADRL CC(=O)Nc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000433530401 563614981 /nfs/dbraw/zinc/61/49/81/563614981.db2.gz YVHYFEHMHBRSEK-UHFFFAOYSA-N -2 0 384.797 2.503 20 0 GFADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2O)c1 ZINC000442834526 563781188 /nfs/dbraw/zinc/78/11/88/563781188.db2.gz ATYKTHJVTHZJPU-UHFFFAOYSA-N -2 0 383.325 2.851 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(Br)ccc2O)cs1 ZINC000443390449 563804181 /nfs/dbraw/zinc/80/41/81/563804181.db2.gz TYHWPMHJFKCREM-UHFFFAOYSA-N -2 0 378.225 2.715 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)nn1CC(F)(F)F ZINC000416955678 563864330 /nfs/dbraw/zinc/86/43/30/563864330.db2.gz MEKLJXTYUQAWMT-UHFFFAOYSA-N -2 0 377.344 2.561 20 0 GFADRL COc1cc(F)c(F)cc1[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000565570523 564286396 /nfs/dbraw/zinc/28/63/96/564286396.db2.gz ICLJFFGGVAMQGV-UHFFFAOYSA-N -2 0 375.324 2.920 20 0 GFADRL CCc1oncc1[N-]S(=O)(=O)c1ccc(OCCCC(=O)[O-])c(Cl)c1 ZINC000509389789 564295327 /nfs/dbraw/zinc/29/53/27/564295327.db2.gz VLOFIAYXVVUVOJ-UHFFFAOYSA-N -2 0 388.829 2.935 20 0 GFADRL CCc1oncc1[N-]S(=O)(=O)c1cc(Br)cc(C(=O)[O-])c1C ZINC000509395723 564295699 /nfs/dbraw/zinc/29/56/99/564295699.db2.gz DYLNTWODODNNJS-UHFFFAOYSA-N -2 0 389.227 2.807 20 0 GFADRL COC(=O)c1csc(S(=O)(=O)[N-]c2c(C)ccc(Cl)c2C(=O)[O-])c1 ZINC000475750012 564318598 /nfs/dbraw/zinc/31/85/98/564318598.db2.gz TZAVCEOUDOCMRF-UHFFFAOYSA-N -2 0 389.838 2.996 20 0 GFADRL CCN(c1cccc(Cl)c1)S(=O)(=O)c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000511743486 564381400 /nfs/dbraw/zinc/38/14/00/564381400.db2.gz TVJYVBXOONXCRT-UHFFFAOYSA-N -2 0 383.809 2.952 20 0 GFADRL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000479433441 564439899 /nfs/dbraw/zinc/43/98/99/564439899.db2.gz BHIPJCDOPOFHAD-UHFFFAOYSA-N -2 0 387.772 2.985 20 0 GFADRL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1ccn(CC(F)(F)F)n1 ZINC000479433505 564439924 /nfs/dbraw/zinc/43/99/24/564439924.db2.gz BUSVOKWVFAJDMC-UHFFFAOYSA-N -2 0 397.762 2.906 20 0 GFADRL COC(=O)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)cc(Cl)c1F ZINC000480221037 564464979 /nfs/dbraw/zinc/46/49/79/564464979.db2.gz SDHKOVFOZXASHI-UHFFFAOYSA-N -2 0 391.760 2.666 20 0 GFADRL COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(=O)[O-])c2)c1 ZINC000547545158 564492645 /nfs/dbraw/zinc/49/26/45/564492645.db2.gz FWCCOQDWJLBLBS-UHFFFAOYSA-N -3 0 385.781 2.546 20 0 GFADRL CC(=O)Nc1ccc([N-]S(=O)(=O)c2c(F)cccc2Cl)c(C(=O)[O-])c1 ZINC000547546375 564492833 /nfs/dbraw/zinc/49/28/33/564492833.db2.gz MUEKZAYNSRZHTC-UHFFFAOYSA-N -2 0 386.788 2.937 20 0 GFADRL CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000481953938 564528852 /nfs/dbraw/zinc/52/88/52/564528852.db2.gz ZFFFWWYWPKQETN-UHFFFAOYSA-N -2 0 381.431 2.535 20 0 GFADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@H](CC(=O)[O-])C12CC3CC(CC(C3)C1)C2 ZINC000548531674 564556678 /nfs/dbraw/zinc/55/66/78/564556678.db2.gz UYJQDOKWSCQAEE-QWRRMZHUSA-N -2 0 383.432 2.916 20 0 GFADRL O=C([O-])C[C@H](NS(=O)(=O)c1ccc(Br)o1)c1ccccc1F ZINC000548570064 564562509 /nfs/dbraw/zinc/56/25/09/564562509.db2.gz PMTKURSIJXVMDG-JTQLQIEISA-N -2 0 392.202 2.676 20 0 GFADRL CN(CCCC(=O)[O-])C(=O)c1cc(Br)c([O-])c(Br)c1 ZINC000455753924 564569815 /nfs/dbraw/zinc/56/98/15/564569815.db2.gz NGFVUMAWVVPHTF-UHFFFAOYSA-N -2 0 395.047 2.854 20 0 GFADRL Cc1nc(-c2ccc(C)c([N-]S(=O)(=O)c3csc(C(=O)[O-])c3)c2)n[nH]1 ZINC000484616947 564592988 /nfs/dbraw/zinc/59/29/88/564592988.db2.gz HVRKCBVHRBKRQC-UHFFFAOYSA-N -2 0 378.435 2.649 20 0 GFADRL COC(=O)c1cccc(Cl)c1S(=O)(=O)[N-]c1ccc(C)c(C(=O)[O-])c1 ZINC000551466408 564650991 /nfs/dbraw/zinc/65/09/91/564650991.db2.gz ITAHIVDOPSSXGX-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL CCC[C@@](C)(NS(=O)(=O)c1cc(Cl)ccc1OCCCOC)C(=O)[O-] ZINC000582961864 564870073 /nfs/dbraw/zinc/87/00/73/564870073.db2.gz HFSQSVNXFHNHDQ-MRXNPFEDSA-N -2 0 393.889 2.677 20 0 GFADRL COCn1nc(C)c(S(=O)(=O)[N-]c2c(C)ccc(Cl)c2C(=O)[O-])c1C ZINC000463365774 564877119 /nfs/dbraw/zinc/87/71/19/564877119.db2.gz CIHLBDPIIRORAX-UHFFFAOYSA-N -2 0 387.845 2.565 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2ccc3c(C(=O)[O-])c[nH]c3c2)sc1C(=O)[O-] ZINC000583769672 564907053 /nfs/dbraw/zinc/90/70/53/564907053.db2.gz PXKNJCFYRSNTDG-UHFFFAOYSA-N -3 0 380.403 2.735 20 0 GFADRL COCCCOc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)c1 ZINC000531429963 564910519 /nfs/dbraw/zinc/91/05/19/564910519.db2.gz UWXLULLMHHYFIU-UHFFFAOYSA-N -2 0 385.463 2.971 20 0 GFADRL CCCc1ccc([N-]S(=O)(=O)c2cc(C(=O)OC)cs2)c(C(=O)[O-])c1 ZINC000501790911 564985763 /nfs/dbraw/zinc/98/57/63/564985763.db2.gz DQTZQFUTAXVMOT-UHFFFAOYSA-N -2 0 383.447 2.986 20 0 GFADRL CCc1nc(-c2ccccc2[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)n[nH]1 ZINC000534401742 564987909 /nfs/dbraw/zinc/98/79/09/564987909.db2.gz PAYYBAPANURBFJ-UHFFFAOYSA-N -2 0 378.435 2.595 20 0 GFADRL COCc1cccc(S(=O)(=O)[N-]c2c(OC)ccc(Cl)c2C(=O)[O-])c1 ZINC000589435091 565162520 /nfs/dbraw/zinc/16/25/20/565162520.db2.gz FXCYPXFYPUMTFH-UHFFFAOYSA-N -2 0 385.825 2.994 20 0 GFADRL CCCNC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)cc1 ZINC000591681574 565236046 /nfs/dbraw/zinc/23/60/46/565236046.db2.gz WMEUCGSZOACQNB-UHFFFAOYSA-N -2 0 382.463 2.695 20 0 GFADRL CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)s1 ZINC000617467142 565241440 /nfs/dbraw/zinc/24/14/40/565241440.db2.gz XSCONZYXAQCXFO-MRVPVSSYSA-N -2 0 386.426 2.583 20 0 GFADRL Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H](CCC(=O)[O-])C(F)(F)F)c(F)c1 ZINC000663294447 565408823 /nfs/dbraw/zinc/40/88/23/565408823.db2.gz RONRSPGOPBPDHW-MRVPVSSYSA-N -2 0 375.315 2.595 20 0 GFADRL CN(C)c1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000605651634 565955627 /nfs/dbraw/zinc/95/56/27/565955627.db2.gz URHRXFNIZAZEFO-UHFFFAOYSA-N -2 0 377.344 2.599 20 0 GFADRL COc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C(=O)[O-])cc1C(=O)[O-] ZINC000606343045 565962575 /nfs/dbraw/zinc/96/25/75/565962575.db2.gz WSEUKXWXHPHLDU-UHFFFAOYSA-N -2 0 385.781 2.546 20 0 GFADRL CCn1ccc([N-]S(=O)(=O)c2ccc(OCCCC(=O)[O-])c(Cl)c2)n1 ZINC000656634835 566152231 /nfs/dbraw/zinc/15/22/31/566152231.db2.gz IGZHKJCIOBSIHY-UHFFFAOYSA-N -2 0 387.845 2.601 20 0 GFADRL O=C([O-])Cc1ccccc1[N-]S(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000819626120 597313466 /nfs/dbraw/zinc/31/34/66/597313466.db2.gz JFROHVVVCNVQTQ-UHFFFAOYSA-N -2 0 383.809 2.539 20 0 GFADRL COC(=O)CCSCc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1 ZINC000737599419 599739519 /nfs/dbraw/zinc/73/95/19/599739519.db2.gz SVCLXRIGAOSOPE-UHFFFAOYSA-N -2 0 399.446 2.575 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2OCc2cscn2)o1 ZINC000740187023 599740309 /nfs/dbraw/zinc/74/03/09/599740309.db2.gz CLQMUCZJDBDERQ-UHFFFAOYSA-N -2 0 380.403 2.814 20 0 GFADRL CCCOc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C(=O)OC)c1 ZINC000737035213 599813197 /nfs/dbraw/zinc/81/31/97/599813197.db2.gz ZLFXDPMCBQZDJK-UHFFFAOYSA-N -2 0 399.446 2.823 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(SC)c2)c(C(=O)[O-])s1 ZINC000737681159 599813531 /nfs/dbraw/zinc/81/35/31/599813531.db2.gz QJCZLPGTGPZROU-UHFFFAOYSA-N -2 0 387.460 2.756 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3cn4c(n3)CCCC4)cc2)o1 ZINC000740177583 599886609 /nfs/dbraw/zinc/88/66/09/599886609.db2.gz KMRSMOVKCYSDAT-UHFFFAOYSA-N -2 0 387.417 2.978 20 0 GFADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)Cc1ccccc1C(F)(F)F ZINC000739344610 599911050 /nfs/dbraw/zinc/91/10/50/599911050.db2.gz FQVUZHOOMRTYJE-UHFFFAOYSA-N -2 0 393.364 2.513 20 0 GFADRL COC(=O)c1sc(S(=O)(=O)[N-]c2cccc3[nH]ccc32)c(C(=O)[O-])c1C ZINC000737718097 599926605 /nfs/dbraw/zinc/92/66/05/599926605.db2.gz HFALJMDEEWEBDF-UHFFFAOYSA-N -2 0 394.430 2.823 20 0 GFADRL CC(=O)Nc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000736158227 599938318 /nfs/dbraw/zinc/93/83/18/599938318.db2.gz OFBRRGKEUULSIL-UHFFFAOYSA-N -2 0 386.788 2.937 20 0 GFADRL CC1=C(C(=O)[O-])[C@H](c2cccc(OCCC(=O)[O-])c2)NC(=O)N1CC(C)C ZINC000736750781 599984288 /nfs/dbraw/zinc/98/42/88/599984288.db2.gz NBGULSKVSVEDQR-KRWDZBQOSA-N -2 0 376.409 2.621 20 0 GFADRL CC[C@H](C)N1C(=O)N[C@@H](c2cccc(OCCC(=O)[O-])c2)C(C(=O)[O-])=C1C ZINC000736883929 599984745 /nfs/dbraw/zinc/98/47/45/599984745.db2.gz PYVSHFJYZFHXLU-GTNSWQLSSA-N -2 0 376.409 2.764 20 0 GFADRL CC1(C)Cc2nc([N-]S(=O)(=O)c3ccc(C(=O)[O-])s3)sc2C(=O)C1 ZINC000736726540 600051944 /nfs/dbraw/zinc/05/19/44/600051944.db2.gz MCEFUXDRSUMMMB-UHFFFAOYSA-N -2 0 386.476 2.859 20 0 GFADRL Cc1ccsc1Cn1nccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000738331816 600054468 /nfs/dbraw/zinc/05/44/68/600054468.db2.gz TUXYILXFXBBSBG-UHFFFAOYSA-N -2 0 377.447 2.800 20 0 GFADRL C[C@H]1CN(c2ccccc2[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)C[C@H](C)O1 ZINC000736822920 600105143 /nfs/dbraw/zinc/10/51/43/600105143.db2.gz FKJCBADTPQDFKP-RYUDHWBXSA-N -2 0 396.490 2.861 20 0 GFADRL CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)cc1OCC ZINC000436994409 600177262 /nfs/dbraw/zinc/17/72/62/600177262.db2.gz MSJOWHVXUSXIHF-UHFFFAOYSA-N -2 0 381.406 2.689 20 0 GFADRL Cc1ccnc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Br)cc2F)c1 ZINC000738797618 600204348 /nfs/dbraw/zinc/20/43/48/600204348.db2.gz GJGPYDGDGZRNLV-UHFFFAOYSA-N -2 0 389.202 2.791 20 0 GFADRL CSc1nc2ccc([N-]S(=O)(=O)c3n[nH]c(C)c3C(=O)[O-])cc2s1 ZINC000738215735 600229404 /nfs/dbraw/zinc/22/94/04/600229404.db2.gz OTQYRXCZDHRHLU-UHFFFAOYSA-N -2 0 384.464 2.549 20 0 GFADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)c1C(=O)[O-] ZINC000738829939 600229878 /nfs/dbraw/zinc/22/98/78/600229878.db2.gz UJGSYZJDYNFEKA-UHFFFAOYSA-N -2 0 387.417 2.796 20 0 GFADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2OC(F)F)c1 ZINC000740270808 600237865 /nfs/dbraw/zinc/23/78/65/600237865.db2.gz FTJORBUORUMYOR-UHFFFAOYSA-N -3 0 393.345 2.547 20 0 GFADRL COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1ccc(CN(C)C(=O)[O-])cc1 ZINC000737651206 600300721 /nfs/dbraw/zinc/30/07/21/600300721.db2.gz QITWDIOMDHEJKF-UHFFFAOYSA-N -2 0 392.433 2.692 20 0 GFADRL COC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2ccc(CN(C)C(=O)[O-])cc2)c1 ZINC000737694012 600300728 /nfs/dbraw/zinc/30/07/28/600300728.db2.gz MSQWQODKQSYGTM-UHFFFAOYSA-N -2 0 396.396 2.523 20 0 GFADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000737257873 600302196 /nfs/dbraw/zinc/30/21/96/600302196.db2.gz QYRICMBSHRFKNN-UHFFFAOYSA-N -2 0 378.406 2.516 20 0 GFADRL CC(C)(C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)c1cccc(Cl)c1 ZINC000736223316 600352200 /nfs/dbraw/zinc/35/22/00/600352200.db2.gz JKEMKKFZKCYXBJ-UHFFFAOYSA-N -2 0 381.837 2.821 20 0 GFADRL C[C@H](CSc1ccccc1)C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000736616937 600421660 /nfs/dbraw/zinc/42/16/60/600421660.db2.gz DMFYPWAEWGYHND-CYBMUJFWSA-N -2 0 393.486 2.759 20 0 GFADRL C[C@@H](CSc1ccccc1)C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000736616939 600421711 /nfs/dbraw/zinc/42/17/11/600421711.db2.gz DMFYPWAEWGYHND-ZDUSSCGKSA-N -2 0 393.486 2.759 20 0 GFADRL CCOC(=O)c1sc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1C ZINC000737156601 600512610 /nfs/dbraw/zinc/51/26/10/600512610.db2.gz MVNRNKRGJNGDRL-UHFFFAOYSA-N -2 0 387.410 2.871 20 0 GFADRL O=C([O-])c1ccnc([N-]S(=O)(=O)c2cc(Br)ccc2Cl)c1 ZINC000740249257 600577384 /nfs/dbraw/zinc/57/73/84/600577384.db2.gz UAFFGOKUENPXHO-UHFFFAOYSA-N -2 0 391.630 2.997 20 0 GFADRL Cc1noc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000738944294 600613208 /nfs/dbraw/zinc/61/32/08/600613208.db2.gz GADSYEKOQSDIPC-UHFFFAOYSA-N -2 0 393.190 2.692 20 0 GFADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2-n2cccn2)cc1 ZINC000193930335 600626264 /nfs/dbraw/zinc/62/62/64/600626264.db2.gz GGYRIEKVRHKWSD-UHFFFAOYSA-N -2 0 391.836 2.954 20 0 GFADRL COCCOc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000481980619 600628259 /nfs/dbraw/zinc/62/82/59/600628259.db2.gz LGBNMWWGEVDGEG-UHFFFAOYSA-N -2 0 399.852 2.793 20 0 GFADRL CC(C)OC(=O)NCc1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1 ZINC000265285161 600682400 /nfs/dbraw/zinc/68/24/00/600682400.db2.gz SSCQLMOHZXWWOX-UHFFFAOYSA-N -2 0 398.462 2.882 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])cc2)c(Br)c1 ZINC000832954800 600802786 /nfs/dbraw/zinc/80/27/86/600802786.db2.gz QLUZDCJBAJRQDZ-UHFFFAOYSA-N -2 0 398.234 2.574 20 0 GFADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c(OCC(F)(F)F)c1 ZINC000511737532 600813165 /nfs/dbraw/zinc/81/31/65/600813165.db2.gz MDBYQBNQEPHDGY-UHFFFAOYSA-N -2 0 392.355 2.774 20 0 GFADRL COC(=O)c1c(C)c(C(=O)[O-])sc1S(=O)(=O)[N-]c1cccc(F)c1C ZINC000831236340 600818179 /nfs/dbraw/zinc/81/81/79/600818179.db2.gz MJJJSVVKCITKFX-UHFFFAOYSA-N -2 0 387.410 2.790 20 0 GFADRL O=C([O-])N1CCC[C@H](NC(=O)c2cc(Br)cc(Cl)c2[O-])C1 ZINC000833130574 600826349 /nfs/dbraw/zinc/82/63/49/600826349.db2.gz PIZBVGKYLJNOPJ-QMMMGPOBSA-N -2 0 377.622 2.680 20 0 GFADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccc(C)c(N3CCOC3=O)c2)c1C(=O)[O-] ZINC000832953003 600868296 /nfs/dbraw/zinc/86/82/96/600868296.db2.gz TYXXGWQGECLSBM-UHFFFAOYSA-N -2 0 394.405 2.660 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)NC(C)C)ccc1C(=O)[O-] ZINC000506687223 600888680 /nfs/dbraw/zinc/88/86/80/600888680.db2.gz CPEURNXJGDFTNT-UHFFFAOYSA-N -2 0 376.434 2.632 20 0 GFADRL Cc1ccc(-n2[n-]c(C(=O)N[C@H](CC(=O)[O-])c3ccc(F)cc3)cc2=O)cc1 ZINC000832909339 600909274 /nfs/dbraw/zinc/90/92/74/600909274.db2.gz BGIDPEVCIQYSLO-MRXNPFEDSA-N -2 0 383.379 2.559 20 0 GFADRL O=C([O-])c1ccnc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)c1 ZINC000833334200 600983089 /nfs/dbraw/zinc/98/30/89/600983089.db2.gz BIGZTPCBWWDBTD-UHFFFAOYSA-N -2 0 376.312 2.522 20 0 GFADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1 ZINC000833227843 601143263 /nfs/dbraw/zinc/14/32/63/601143263.db2.gz CRTKSTQJZNHWMO-UHFFFAOYSA-N -2 0 394.276 2.726 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cccc(NC(C)=O)c1C ZINC000831945536 601151320 /nfs/dbraw/zinc/15/13/20/601151320.db2.gz JYGJGDGUGMMRKG-UHFFFAOYSA-N -2 0 384.435 2.523 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cccc(-c2noc(C)n2)c1 ZINC000831946282 601203217 /nfs/dbraw/zinc/20/32/17/601203217.db2.gz RJEAKQTULJMGTC-UHFFFAOYSA-N -2 0 395.418 2.614 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2cc(-c3ccccc3C)nn2C)cc1C(=O)[O-] ZINC000832975010 601230564 /nfs/dbraw/zinc/23/05/64/601230564.db2.gz SXYLXQFVYPFBKW-UHFFFAOYSA-N -2 0 375.406 2.796 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2cc(N3CCCC3=O)ccc2Cl)cc1C(=O)[O-] ZINC000833030480 601232422 /nfs/dbraw/zinc/23/24/22/601232422.db2.gz YPJVZGIZSWRPBO-UHFFFAOYSA-N -2 0 398.824 2.867 20 0 GFADRL CSc1cc2c(cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1)OCCO2 ZINC000832774483 601232886 /nfs/dbraw/zinc/23/28/86/601232886.db2.gz MEBQOINJOGTNSA-UHFFFAOYSA-N -2 0 385.419 2.580 20 0 GFADRL COCCCOc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)c1 ZINC000267502532 601234307 /nfs/dbraw/zinc/23/43/07/601234307.db2.gz HNHDJNNVQGOUOM-UHFFFAOYSA-N -2 0 395.433 2.610 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1-c1noc(C)n1 ZINC000370745780 601322810 /nfs/dbraw/zinc/32/28/10/601322810.db2.gz UWKLMSDEPMVQDS-UHFFFAOYSA-N -2 0 389.389 2.553 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C#N)ccc1OC(C)C ZINC000057122648 601325439 /nfs/dbraw/zinc/32/54/39/601325439.db2.gz QRIJDKRTGHZELK-UHFFFAOYSA-N -2 0 390.417 2.853 20 0 GFADRL O=C([O-])/C=C/c1ccc(S(=O)(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)cc1 ZINC000833197218 601331971 /nfs/dbraw/zinc/33/19/71/601331971.db2.gz MSANWMJRAAOMHX-RNVIBTMRSA-N -2 0 387.413 2.552 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)nc2n3CCCCC2)o1 ZINC000833323326 601339314 /nfs/dbraw/zinc/33/93/14/601339314.db2.gz CKYNXMNBCIQTAL-UHFFFAOYSA-N -2 0 375.406 2.855 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)n(-c2ccc(F)cc2)n1 ZINC000832899053 601358892 /nfs/dbraw/zinc/35/88/92/601358892.db2.gz BXABXPOMVIIRCK-UHFFFAOYSA-N -2 0 393.371 2.958 20 0 GFADRL Cc1c(Br)cccc1S(=O)(=O)[N-]c1nc(CC(=O)[O-])cs1 ZINC000832849652 601358988 /nfs/dbraw/zinc/35/89/88/601358988.db2.gz NUGIOPLIYSINEH-UHFFFAOYSA-N -2 0 391.268 2.642 20 0 GFADRL COC(=O)c1cccc(S(=O)(=O)[N-]c2nc(C(C)(C)C)c(C(=O)[O-])s2)c1 ZINC000831457602 601362787 /nfs/dbraw/zinc/36/27/87/601362787.db2.gz MLVMPHGRQYFTQF-UHFFFAOYSA-N -2 0 398.462 2.726 20 0 GFADRL COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)[N-]c2cc(C(C)C)on2)c1OC ZINC000831973083 601362970 /nfs/dbraw/zinc/36/29/70/601362970.db2.gz ZPVDZPICCUPNQE-AATRIKPKSA-N -2 0 396.421 2.714 20 0 GFADRL COc1cc(OC)c([N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)cc1F ZINC000755980227 601489156 /nfs/dbraw/zinc/48/91/56/601489156.db2.gz VZDLLTXBNLADPX-UHFFFAOYSA-N -2 0 391.323 2.620 20 0 GFADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(Cl)c(Br)c2)c1C(=O)[O-] ZINC000832992143 601491608 /nfs/dbraw/zinc/49/16/08/601491608.db2.gz ZAMDKBJQXADQBV-UHFFFAOYSA-N -2 0 394.634 2.633 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cc(-c2ccccc2)on1 ZINC000831939838 601576124 /nfs/dbraw/zinc/57/61/24/601576124.db2.gz UXCLGSCQXYKCDB-UHFFFAOYSA-N -2 0 380.403 2.911 20 0 GFADRL CCc1ccccc1-n1cc([O-])c(C(=O)Nc2cccc(OCC(=O)[O-])c2)n1 ZINC000830270694 601755835 /nfs/dbraw/zinc/75/58/35/601755835.db2.gz YBLTWKBRPXJMQY-UHFFFAOYSA-N -2 0 381.388 2.856 20 0 GFADRL O=C([O-])Nc1ccc(CCNC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])cc1 ZINC000833287584 601757857 /nfs/dbraw/zinc/75/78/57/601757857.db2.gz NMFQAPGARMBRIW-UHFFFAOYSA-N -2 0 384.367 2.779 20 0 GFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)c2)cc1Cl ZINC000832003877 601784141 /nfs/dbraw/zinc/78/41/41/601784141.db2.gz BOYSKZUUXAHUPD-UHFFFAOYSA-N -2 0 379.221 2.840 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)c2)sc1Br ZINC000832903375 601784858 /nfs/dbraw/zinc/78/48/58/601784858.db2.gz AGZIERXLGIYWDL-UHFFFAOYSA-N -2 0 379.257 2.657 20 0 GFADRL COC(=O)c1sc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc1C ZINC000831479855 601827892 /nfs/dbraw/zinc/82/78/92/601827892.db2.gz WDBJWUNMNULOQI-UHFFFAOYSA-N -2 0 389.838 2.996 20 0 GFADRL COC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000069147713 601828471 /nfs/dbraw/zinc/82/84/71/601828471.db2.gz BBASCVSVYVLUEO-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1cccc(OCc2cscn2)c1 ZINC000833346634 601840487 /nfs/dbraw/zinc/84/04/87/601840487.db2.gz SYXKMEGGXDOUQD-UHFFFAOYSA-N -2 0 397.459 2.678 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Br)cn2)ccc1Cl ZINC000020302010 601843613 /nfs/dbraw/zinc/84/36/13/601843613.db2.gz JIXZDQCNSCNNSI-UHFFFAOYSA-N -2 0 391.630 2.997 20 0 GFADRL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccc(Br)cc1O ZINC000833295505 601863762 /nfs/dbraw/zinc/86/37/62/601863762.db2.gz ZCUGIGICHVFIET-UHFFFAOYSA-N -2 0 390.186 2.793 20 0 GFADRL COC(=O)c1cc([N-]S(=O)(=O)c2cc(F)c(C)cc2F)ccc1C(=O)[O-] ZINC000831327772 601881897 /nfs/dbraw/zinc/88/18/97/601881897.db2.gz OMGHCHXRRRNQCL-UHFFFAOYSA-N -2 0 385.344 2.559 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2nc3c(s2)CN(C(=O)[O-])CC3)c(Cl)c1 ZINC000740151101 601977512 /nfs/dbraw/zinc/97/75/12/601977512.db2.gz VMNIAOXYINXRMR-UHFFFAOYSA-N -2 0 387.870 2.942 20 0 GFADRL O=C([O-])NCCc1ccc(CNC(=O)CC2(C(=O)[O-])CCCCCC2)cc1 ZINC000740669285 602000971 /nfs/dbraw/zinc/00/09/71/602000971.db2.gz CFSDOWHVBIEMMP-UHFFFAOYSA-N -2 0 376.453 2.928 20 0 GFADRL C[C@@H](Oc1ccc(/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)cc1)C(=O)[O-] ZINC000016937359 602095308 /nfs/dbraw/zinc/09/53/08/602095308.db2.gz SKEJUTSSJCOLBI-PEHNMLCRSA-N -2 0 395.458 2.605 20 0 GFADRL Cc1ccc(Cc2nnc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)s2)cc1 ZINC000832934984 602105090 /nfs/dbraw/zinc/10/50/90/602105090.db2.gz UUDPNZGYVHHCFN-UHFFFAOYSA-N -2 0 389.458 2.936 20 0 GFADRL CC(C)c1nc(S(=O)(=O)[N-]c2ccc(OCC(=O)[O-])c3ccccc23)c[nH]1 ZINC000827152451 602124212 /nfs/dbraw/zinc/12/42/12/602124212.db2.gz HCWXREQICQDQHZ-UHFFFAOYSA-N -2 0 389.433 2.951 20 0 GFADRL O=C([O-])c1nscc1[N-]S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000833347050 602158218 /nfs/dbraw/zinc/15/82/18/602158218.db2.gz SRPNNOLHPOXMKS-UHFFFAOYSA-N -2 0 384.769 2.897 20 0 GFADRL Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)CCC(=O)[O-])c2)cc1C(=O)[O-] ZINC000439627705 602308921 /nfs/dbraw/zinc/30/89/21/602308921.db2.gz WAGIXGGLCIBSBU-UHFFFAOYSA-N -2 0 391.401 2.542 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])s2)c(Cl)cc1F ZINC000832902674 602348789 /nfs/dbraw/zinc/34/87/89/602348789.db2.gz DSDRGWUKZHIRRZ-UHFFFAOYSA-N -2 0 377.802 2.666 20 0 GFADRL O=C([O-])N[C@@H](CCC(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1)c1ccccc1 ZINC000740540550 602470666 /nfs/dbraw/zinc/47/06/66/602470666.db2.gz RUDQWYCPHMWTDB-HNNXBMFYSA-N -2 0 382.376 2.758 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]C(=O)CC[C@H](NC(=O)[O-])c2ccccc2)cc1 ZINC000740148504 602670055 /nfs/dbraw/zinc/67/00/55/602670055.db2.gz UGOMVERSQSMUAX-INIZCTEOSA-N -2 0 376.434 2.589 20 0 GFADRL O=C([O-])N[C@H](CCC(=O)[N-]S(=O)(=O)/C=C/c1ccccc1)c1ccccc1 ZINC000740541107 602670525 /nfs/dbraw/zinc/67/05/25/602670525.db2.gz WIUGANGJWBTHDP-TUQDCPSNSA-N -2 0 388.445 2.892 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(NC(=O)[O-])cc2Cl)cc1 ZINC000739934326 602959100 /nfs/dbraw/zinc/95/91/00/602959100.db2.gz WZLGJWDLDCABFB-UHFFFAOYSA-N -2 0 384.797 2.557 20 0 GFADRL O=C([O-])N1CCC[C@H](NS(=O)(=O)c2c(Cl)cccc2C(F)(F)F)C1 ZINC000739927470 603085873 /nfs/dbraw/zinc/08/58/73/603085873.db2.gz PANLRDGCLGYFGQ-QMMMGPOBSA-N -2 0 386.779 2.780 20 0 GFADRL CC(C)(CC(=O)[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1)NC(=O)[O-] ZINC000738736053 603160087 /nfs/dbraw/zinc/16/00/87/603160087.db2.gz YXCRLWRIULYCHU-UHFFFAOYSA-N -2 0 382.482 2.976 20 0 GFADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CCC[C@@H](CNC(=O)[O-])C3)n2)c1 ZINC000738877753 603314889 /nfs/dbraw/zinc/31/48/89/603314889.db2.gz UAKMWARPVHUNJY-AWEZNQCLSA-N -2 0 386.452 2.821 20 0 GFADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CC[C@@H](NC(=O)[O-])[C@@H](C)C3)n2)c1 ZINC000824469905 603838952 /nfs/dbraw/zinc/83/89/52/603838952.db2.gz HSHJWWKHLBCYNW-XJKSGUPXSA-N -2 0 386.452 2.820 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)[C@H](NC(=O)[O-])c2ccccc2)c(C)c1 ZINC000830413885 604208722 /nfs/dbraw/zinc/20/87/22/604208722.db2.gz BYWDAUOQVMDXFR-YOEHRIQHSA-N -2 0 390.461 2.753 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc(OC)c2ncccc12 ZINC000831945980 604621913 /nfs/dbraw/zinc/62/19/13/604621913.db2.gz NUOXIGFBKBKBPN-UHFFFAOYSA-N -2 0 394.430 2.813 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2nc(CCC(=O)[O-])cs2)c2cccnc12 ZINC000832468979 604625061 /nfs/dbraw/zinc/62/50/61/604625061.db2.gz YMRULQRTKDDXJN-UHFFFAOYSA-N -2 0 393.446 2.518 20 0 GFADRL O=C([O-])c1ccc(NS(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)cc1F ZINC000754759191 604631563 /nfs/dbraw/zinc/63/15/63/604631563.db2.gz QABAUOWNZLRCNG-UHFFFAOYSA-N -2 0 391.735 2.815 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(-n3ccnn3)c2)c(Cl)cc1F ZINC000767749373 604633778 /nfs/dbraw/zinc/63/37/78/604633778.db2.gz TUAMVGDQLJBZDA-UHFFFAOYSA-N -2 0 396.787 2.559 20 0 GFADRL O=C([O-])C[C@@H]1CCCN1C(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000833210595 604671574 /nfs/dbraw/zinc/67/15/74/604671574.db2.gz MAHSULVMAPUUNF-JTQLQIEISA-N -2 0 383.326 2.676 20 0 GFADRL CC(C)[C@@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)[C@H](C)c1ccc(Cl)cc1Cl ZINC000833468251 604991662 /nfs/dbraw/zinc/99/16/62/604991662.db2.gz NTBYTTGRSOUVPG-PRHODGIISA-N -2 0 397.280 2.793 20 0 GFADRL CCc1nn(C)cc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000833678373 605007595 /nfs/dbraw/zinc/00/75/95/605007595.db2.gz PFNPKEWIEAOJTJ-UHFFFAOYSA-N -2 0 377.344 2.500 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2cc(F)ccc2Br)c(C(=O)[O-])[nH]1 ZINC000832899904 605008619 /nfs/dbraw/zinc/00/86/19/605008619.db2.gz UTHIDTDGKVTXQB-UHFFFAOYSA-N -2 0 377.191 2.724 20 0 GFADRL C[C@H](CCCc1ccccc1)C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000833514910 605086939 /nfs/dbraw/zinc/08/69/39/605086939.db2.gz FUSLUBMGBKYQIB-CQSZACIVSA-N -2 0 375.446 2.849 20 0 GFADRL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000833741560 605124891 /nfs/dbraw/zinc/12/48/91/605124891.db2.gz RXCULYGFXXFRLE-UHFFFAOYSA-N -3 0 377.346 2.532 20 0 GFADRL CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]c2scc(C(=O)[O-])c2C)s1 ZINC000833395309 605125555 /nfs/dbraw/zinc/12/55/55/605125555.db2.gz MZEVCPOFFKPGOP-MRVPVSSYSA-N -2 0 388.492 2.814 20 0 GFADRL COc1cc(OC)cc(S(=O)(=O)[N-]c2cccc3c2CCN3C(=O)[O-])c1 ZINC000829217455 605237487 /nfs/dbraw/zinc/23/74/87/605237487.db2.gz ROGHYRMEKNBLTF-UHFFFAOYSA-N -2 0 378.406 2.545 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cnc1Br ZINC000181174140 605262390 /nfs/dbraw/zinc/26/23/90/605262390.db2.gz YUCKWJWZGHNHHY-UHFFFAOYSA-N -2 0 377.241 2.713 20 0 GFADRL Cc1cc(C(=O)[N-]S(=O)(=O)c2cccc3cnccc32)ccc1NC(=O)[O-] ZINC000829961776 605418784 /nfs/dbraw/zinc/41/87/84/605418784.db2.gz LGDBNRITWQRLSL-UHFFFAOYSA-N -2 0 385.401 2.752 20 0 GFADRL CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)OCc1cccc(NC(=O)[O-])c1 ZINC000829691706 605542955 /nfs/dbraw/zinc/54/29/55/605542955.db2.gz PSSUHEOTRYNKKO-UHFFFAOYSA-N -2 0 382.369 2.644 20 0 GFADRL CC(C)(C)c1nc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])no1 ZINC000833451548 605585197 /nfs/dbraw/zinc/58/51/97/605585197.db2.gz XADVSEOAGODJRQ-UHFFFAOYSA-N -2 0 393.343 2.885 20 0 GFADRL O=C([O-])CCN(Cc1ccc(F)c(F)c1)C(=O)CC1CCN(C(=O)[O-])CC1 ZINC000834060938 606050101 /nfs/dbraw/zinc/05/01/01/606050101.db2.gz YJKASTDXMHVAPT-UHFFFAOYSA-N -2 0 384.379 2.548 20 0 GFADRL O=C([O-])[C@@H](CNC(=O)C1CCN(C(=O)[O-])CC1)Cc1ccc2ccccc2c1 ZINC000834060441 606062070 /nfs/dbraw/zinc/06/20/70/606062070.db2.gz ZGRURRSFZNNOTF-GOSISDBHSA-N -2 0 384.432 2.589 20 0 GFADRL O=C([O-])N[C@@H]1CC[C@H](C(=O)NC[C@H](Cc2ccc3ccccc3c2)C(=O)[O-])C1 ZINC000834168875 606062778 /nfs/dbraw/zinc/06/27/78/606062778.db2.gz IRTIXIRZCUSLFB-OKZBNKHCSA-N -2 0 384.432 2.636 20 0 GFADRL CN(C)C(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC000025369045 654549047 /nfs/dbraw/zinc/54/90/47/654549047.db2.gz VGZSQZHWCQJKCH-UHFFFAOYSA-N -2 0 382.825 2.541 20 0 GFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2sccc2Br)cc1O ZINC000049060812 654714480 /nfs/dbraw/zinc/71/44/80/654714480.db2.gz GYVVXQKBEDTQLY-UHFFFAOYSA-N -2 0 378.225 2.715 20 0 GFADRL O=C([O-])c1cc(F)c(F)c(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)c1 ZINC000327867157 655386515 /nfs/dbraw/zinc/38/65/15/655386515.db2.gz LUOOYMFOZGRAMY-UHFFFAOYSA-N -2 0 376.268 2.511 20 0 GFADRL Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)c1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC000758168957 655925148 /nfs/dbraw/zinc/92/51/48/655925148.db2.gz ILMNTRGJYDVBFL-UHFFFAOYSA-N -2 0 383.735 2.947 20 0 GFADRL COCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(OC)cc2Cl)cc1 ZINC000766570353 656176520 /nfs/dbraw/zinc/17/65/20/656176520.db2.gz DJVUAGOVMQJHGK-UHFFFAOYSA-N -2 0 385.825 2.994 20 0 GFADRL COc1cc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)cnc1Cl ZINC000767450607 656203747 /nfs/dbraw/zinc/20/37/47/656203747.db2.gz KEOVFLBZDKQVGA-UHFFFAOYSA-N -2 0 377.205 2.896 20 0 GFADRL Cc1cccc(C(=O)[O-])c1NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC000767736653 656217609 /nfs/dbraw/zinc/21/76/09/656217609.db2.gz LZGLKFSOZIXMPB-UHFFFAOYSA-N -2 0 387.772 2.985 20 0 GFADRL Cc1cccc(NS(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)c1C(=O)[O-] ZINC000767740932 656218410 /nfs/dbraw/zinc/21/84/10/656218410.db2.gz XIMDWCQARDOSKC-UHFFFAOYSA-N -2 0 387.772 2.985 20 0 GFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)cc1C(=O)[O-] ZINC000776453565 656743742 /nfs/dbraw/zinc/74/37/42/656743742.db2.gz OIYWNQKGGRADSG-UHFFFAOYSA-N -3 0 391.188 2.586 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2csc(-c3ccccn3)n2)ccc1F ZINC000779458537 656927926 /nfs/dbraw/zinc/92/79/26/656927926.db2.gz IWGCZKVPKHAIGA-UHFFFAOYSA-N -2 0 379.394 2.843 20 0 GFADRL CN(c1ccc(C(=O)[O-])cc1)S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000783533258 657237957 /nfs/dbraw/zinc/23/79/57/657237957.db2.gz UALVEKIGFPKEBG-UHFFFAOYSA-N -2 0 387.772 2.701 20 0 GFADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000790587499 658000794 /nfs/dbraw/zinc/00/07/94/658000794.db2.gz UJINBDWEPANUTJ-YGRLFVJLSA-N -2 0 375.368 2.706 20 0 GFADRL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000793380324 658392475 /nfs/dbraw/zinc/39/24/75/658392475.db2.gz GKXYXDCDLFLLAN-UHFFFAOYSA-N -2 0 387.772 2.985 20 0 GFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)c(O)c1 ZINC000800833743 659334817 /nfs/dbraw/zinc/33/48/17/659334817.db2.gz KSWJBLFTMOAGGM-UHFFFAOYSA-N -2 0 381.793 2.674 20 0 GFADRL Cc1c([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cnn1-c1ccccc1F ZINC000152611069 551436400 /nfs/dbraw/zinc/43/64/00/551436400.db2.gz YXYQGQCKWMYVAH-UHFFFAOYSA-N -2 0 381.410 2.880 20 0 GFADRL Cc1ccc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)cc1Br ZINC000173819367 552092741 /nfs/dbraw/zinc/09/27/41/552092741.db2.gz QDQYQVPYCBRMNC-UHFFFAOYSA-N -2 0 389.209 2.655 20 0 GFADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000187009031 552404250 /nfs/dbraw/zinc/40/42/50/552404250.db2.gz BBUSJMNNQSBJAQ-UHFFFAOYSA-N -2 0 377.344 2.507 20 0 GFADRL COc1ccccc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1Br ZINC000315584470 563440974 /nfs/dbraw/zinc/44/09/74/563440974.db2.gz LLVHXMWXUVXGNY-UHFFFAOYSA-N -2 0 386.223 2.957 20 0 GFADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)c1O ZINC000328157283 563460647 /nfs/dbraw/zinc/46/06/47/563460647.db2.gz POUYTGVRLICQKD-UHFFFAOYSA-N -2 0 377.296 2.790 20 0 GFADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1O ZINC000328140183 563460832 /nfs/dbraw/zinc/46/08/32/563460832.db2.gz LMADXJUHRWELMT-UHFFFAOYSA-N -2 0 377.296 2.790 20 0 GFADRL CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(F)ccc2Cl)c(C(=O)[O-])c1 ZINC000328394546 563460903 /nfs/dbraw/zinc/46/09/03/563460903.db2.gz ZNDCVKMPUQKWJJ-UHFFFAOYSA-N -2 0 386.788 2.937 20 0 GFADRL COc1nc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3O)cc2s1 ZINC000430979945 563550827 /nfs/dbraw/zinc/55/08/27/563550827.db2.gz QLGLFQGPFQLWKX-UHFFFAOYSA-N -2 0 380.403 2.510 20 0 GFADRL COC(=O)c1scc(C)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000436166976 563666577 /nfs/dbraw/zinc/66/65/77/563666577.db2.gz FIHLSSROFGOYOH-UHFFFAOYSA-N -2 0 389.838 2.996 20 0 GFADRL O=C([O-])c1ccc(O)c(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)c1 ZINC000436892827 563684038 /nfs/dbraw/zinc/68/40/38/563684038.db2.gz LEFHYOXWBNSRAT-UHFFFAOYSA-N -2 0 377.296 2.790 20 0 GFADRL Cc1c(Cl)cc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(O)c2)cc1C(=O)[O-] ZINC000436953939 563685470 /nfs/dbraw/zinc/68/54/70/563685470.db2.gz SSNCITXPIWUFNT-UHFFFAOYSA-N -2 0 385.781 2.551 20 0 GFADRL Cc1cccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)c1Br ZINC000436993981 563687679 /nfs/dbraw/zinc/68/76/79/563687679.db2.gz JOVHZNKSEINCRA-UHFFFAOYSA-N -2 0 386.223 2.962 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3csnn3)cc2)c(F)c1 ZINC000438797535 563710855 /nfs/dbraw/zinc/71/08/55/563710855.db2.gz PUSIVTOXDQQGRO-UHFFFAOYSA-N -2 0 379.394 2.843 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)nn1CC(F)(F)F ZINC000416945303 563863700 /nfs/dbraw/zinc/86/37/00/563863700.db2.gz HSFQTVAGRODQAF-UHFFFAOYSA-N -2 0 377.344 2.561 20 0 GFADRL COCc1ccc(S(=O)(=O)[N-]c2c(OC)ccc(Cl)c2C(=O)[O-])cc1 ZINC000539239443 564215017 /nfs/dbraw/zinc/21/50/17/564215017.db2.gz OAHWLJCDEXIEFN-UHFFFAOYSA-N -2 0 385.825 2.994 20 0 GFADRL O=S(=O)([N-]c1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)c1ccsc1 ZINC000508200022 564256989 /nfs/dbraw/zinc/25/69/89/564256989.db2.gz UAMXXPPWBXILCO-UHFFFAOYSA-N -2 0 395.487 2.745 20 0 GFADRL O=S(=O)([N-]c1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)c1ccsc1 ZINC000508201789 564257917 /nfs/dbraw/zinc/25/79/17/564257917.db2.gz BKCXZDCRNBDCDE-UHFFFAOYSA-N -2 0 395.487 2.745 20 0 GFADRL Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(Br)o2)c1C(=O)[O-] ZINC000544726256 564396551 /nfs/dbraw/zinc/39/65/51/564396551.db2.gz QVGHILWDRCAZSZ-UHFFFAOYSA-N -2 0 378.175 2.989 20 0 GFADRL C[C@@H](CCC(=O)[O-])CNS(=O)(=O)c1cc(Br)sc1Cl ZINC000547891940 564516797 /nfs/dbraw/zinc/51/67/97/564516797.db2.gz SAHUWIVCYQPESF-LURJTMIESA-N -2 0 390.708 2.943 20 0 GFADRL CC(=O)Nc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000481957265 564529885 /nfs/dbraw/zinc/52/98/85/564529885.db2.gz FOMZMHOLHCHPED-UHFFFAOYSA-N -2 0 382.825 2.726 20 0 GFADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@@H](Cc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000548241742 564541451 /nfs/dbraw/zinc/54/14/51/564541451.db2.gz DQPUASSRKVOHTA-WKEGUHRASA-N -2 0 394.198 2.859 20 0 GFADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@@H](CC(=O)[O-])C12CC3CC(CC(C3)C1)C2 ZINC000548531670 564556666 /nfs/dbraw/zinc/55/66/66/564556666.db2.gz UYJQDOKWSCQAEE-KUCLCAPISA-N -2 0 383.432 2.916 20 0 GFADRL CN(C)c1ccc([N-]S(=O)(=O)c2ccc(Br)o2)c(C(=O)[O-])c1 ZINC000548538804 564557090 /nfs/dbraw/zinc/55/70/90/564557090.db2.gz NIHPDMNEHDEXHN-UHFFFAOYSA-N -2 0 389.227 2.607 20 0 GFADRL COC(=O)c1cc2cc([N-]S(=O)(=O)c3csc(C(=O)[O-])c3)ccc2o1 ZINC000521185481 564620926 /nfs/dbraw/zinc/62/09/26/564620926.db2.gz VXFJNTIWXPYREP-UHFFFAOYSA-N -2 0 381.387 2.780 20 0 GFADRL COc1cc(OC)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cc1F ZINC000574753697 564687097 /nfs/dbraw/zinc/68/70/97/564687097.db2.gz WRBJIWFTUHQBBA-UHFFFAOYSA-N -2 0 389.788 2.995 20 0 GFADRL Cc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000489560073 564744017 /nfs/dbraw/zinc/74/40/17/564744017.db2.gz QRWUHGZVNWWDEO-UHFFFAOYSA-N -2 0 387.772 2.985 20 0 GFADRL O=C([O-])c1cc2c(cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)OCO2 ZINC000461720071 564803489 /nfs/dbraw/zinc/80/34/89/564803489.db2.gz ACHLVYBCZYZDKS-UHFFFAOYSA-N -2 0 395.336 2.995 20 0 GFADRL O=C([O-])[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000581726855 564815732 /nfs/dbraw/zinc/81/57/32/564815732.db2.gz MOKFOMQPMWDMSB-HQJQHLMTSA-N -2 0 398.225 2.649 20 0 GFADRL CCc1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)nn2C)c(C(=O)[O-])c1 ZINC000530133225 564865499 /nfs/dbraw/zinc/86/54/99/564865499.db2.gz DVYNBNTYPJOTBH-UHFFFAOYSA-N -2 0 377.344 2.500 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)cc1Br ZINC000467754372 564971332 /nfs/dbraw/zinc/97/13/32/564971332.db2.gz UWRXVDRSFRKGFM-UHFFFAOYSA-N -2 0 386.223 2.962 20 0 GFADRL COC(=O)c1csc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)c1 ZINC000536523952 565039805 /nfs/dbraw/zinc/03/98/05/565039805.db2.gz KFGMMUAOSRFUOU-UHFFFAOYSA-N -2 0 389.838 2.996 20 0 GFADRL CC(C)Cn1cnc(S(=O)(=O)[N-]c2ccc(S[C@H](C)C(=O)[O-])cc2)c1 ZINC000504679752 565042979 /nfs/dbraw/zinc/04/29/79/565042979.db2.gz DULXWXNKJHWYBP-GFCCVEGCSA-N -2 0 383.495 2.905 20 0 GFADRL COC(=O)c1sc(C)cc1[N-]S(=O)(=O)c1cc(C)c(C)c(C(=O)[O-])c1 ZINC000594698356 565408100 /nfs/dbraw/zinc/40/81/00/565408100.db2.gz ZASLAXPKCYLUKV-UHFFFAOYSA-N -2 0 383.447 2.959 20 0 GFADRL COC(=O)c1sc(C)cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1C ZINC000594695816 565408118 /nfs/dbraw/zinc/40/81/18/565408118.db2.gz IJFIPWRBUKLPGZ-UHFFFAOYSA-N -2 0 383.447 2.959 20 0 GFADRL Cc1cc(F)c(S(=O)(=O)[N-]C[C@H](CCC(=O)[O-])C(F)(F)F)c(F)c1 ZINC000663294448 565408888 /nfs/dbraw/zinc/40/88/88/565408888.db2.gz RONRSPGOPBPDHW-QMMMGPOBSA-N -2 0 375.315 2.595 20 0 GFADRL CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)s1 ZINC000608343496 566012569 /nfs/dbraw/zinc/01/25/69/566012569.db2.gz ZFDBVEOZRZWDTF-SNVBAGLBSA-N -2 0 382.463 2.753 20 0 GFADRL Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)Nc2ccccc2CC(=O)[O-])cc1 ZINC000820940801 598195647 /nfs/dbraw/zinc/19/56/47/598195647.db2.gz YPHZGBCAHUKOFH-UHFFFAOYSA-N -2 0 379.372 2.758 20 0 GFADRL CCc1cc(=O)[nH]c(-c2cccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)c2)n1 ZINC000737250371 599737718 /nfs/dbraw/zinc/73/77/18/599737718.db2.gz GGUYJXHLZHNLQX-UHFFFAOYSA-N -2 0 389.389 2.504 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccnc(Sc3ccccn3)c2)o1 ZINC000740187405 599740448 /nfs/dbraw/zinc/74/04/48/599740448.db2.gz IKDBAGDZYFLQNW-UHFFFAOYSA-N -2 0 377.403 2.720 20 0 GFADRL CCOc1ccc(S(=O)(=O)Nc2ccc(C)cc2C(=O)[O-])cc1C(=O)[O-] ZINC000068076260 599747167 /nfs/dbraw/zinc/74/71/67/599747167.db2.gz GTLVXRLAAMBCOE-UHFFFAOYSA-N -2 0 379.390 2.591 20 0 GFADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(F)c(F)cc2C(=O)[O-])c1 ZINC000728854747 599752979 /nfs/dbraw/zinc/75/29/79/599752979.db2.gz RSTKDESFVHHABT-UHFFFAOYSA-N -3 0 391.735 2.815 20 0 GFADRL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2ncsc2c1 ZINC000737717274 599814212 /nfs/dbraw/zinc/81/42/12/599814212.db2.gz KODSMLICCOYGMY-UHFFFAOYSA-N -2 0 398.443 2.643 20 0 GFADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000737256400 599853235 /nfs/dbraw/zinc/85/32/35/599853235.db2.gz HVCIONNEYDPMSJ-UHFFFAOYSA-N -2 0 377.418 2.765 20 0 GFADRL C[C@H]1CCc2ccccc2N1S(=O)(=O)[N-]C(=O)c1cccc(NC(=O)[O-])c1 ZINC000736805920 599913429 /nfs/dbraw/zinc/91/34/29/599913429.db2.gz RNUCXHBAIISAJB-LBPRGKRZSA-N -2 0 389.433 2.592 20 0 GFADRL CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1C(=O)[O-] ZINC000476738353 599925265 /nfs/dbraw/zinc/92/52/65/599925265.db2.gz LSIZUHVLIHKREM-UHFFFAOYSA-N -2 0 379.390 2.591 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2cccc([C@@H](C)OC)c2)c(C(=O)[O-])s1 ZINC000737679627 599981851 /nfs/dbraw/zinc/98/18/51/599981851.db2.gz BQGMTDTWKCGNKQ-SECBINFHSA-N -2 0 399.446 2.741 20 0 GFADRL CCC1=C(C(=O)[O-])[C@H](c2cccc(O[C@H](C)C(=O)[O-])c2)NC(=O)N1CC1CC1 ZINC000736932639 599988376 /nfs/dbraw/zinc/98/83/76/599988376.db2.gz ULFVPYIPHIRJDE-DIFFPNOSSA-N -2 0 388.420 2.764 20 0 GFADRL CC1=C(C(=O)[O-])[C@H](c2ccccc2OC(F)F)NC(=O)N1CCCCC(=O)[O-] ZINC000736750104 599988946 /nfs/dbraw/zinc/98/89/46/599988946.db2.gz IHZGNNFWSYLMQB-HNNXBMFYSA-N -2 0 398.362 2.968 20 0 GFADRL CCNC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC000737123863 600004755 /nfs/dbraw/zinc/00/47/55/600004755.db2.gz KPZGFDSETQKRCT-UHFFFAOYSA-N -2 0 396.852 2.897 20 0 GFADRL CCNC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000737123981 600004876 /nfs/dbraw/zinc/00/48/76/600004876.db2.gz PTHKKXWYWSTVBT-UHFFFAOYSA-N -2 0 388.854 2.650 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)n(-c2ccccn2)n1 ZINC000727244326 600051325 /nfs/dbraw/zinc/05/13/25/600051325.db2.gz XXOMSHFFAONGBB-UHFFFAOYSA-N -2 0 392.824 2.728 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2nc3cc4c(cc3s2)OCCO4)cc1 ZINC000738689373 600054586 /nfs/dbraw/zinc/05/45/86/600054586.db2.gz NBDADXVXZCYIPR-UHFFFAOYSA-N -2 0 392.414 2.567 20 0 GFADRL CCCn1nccc1[N-]S(=O)(=O)c1ccc(Br)c(C(=O)[O-])c1 ZINC000737049873 600055514 /nfs/dbraw/zinc/05/55/14/600055514.db2.gz JIOPLSWDOFPJIB-UHFFFAOYSA-N -2 0 388.243 2.555 20 0 GFADRL O=C([O-])Nc1cccc(C(=O)[N-]S(=O)(=O)c2ccccc2Br)c1 ZINC000740034607 600056604 /nfs/dbraw/zinc/05/66/04/600056604.db2.gz XVUBLDAJYVZUFM-UHFFFAOYSA-N -2 0 399.222 2.658 20 0 GFADRL CCCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])cc1 ZINC000737030620 600092839 /nfs/dbraw/zinc/09/28/39/600092839.db2.gz ZCMAXNOBIZLZCS-UHFFFAOYSA-N -2 0 381.381 2.892 20 0 GFADRL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccccc1C(=O)N1CCCC1 ZINC000740143577 600093267 /nfs/dbraw/zinc/09/32/67/600093267.db2.gz GFICCUMIALNQSO-UHFFFAOYSA-N -2 0 392.408 2.561 20 0 GFADRL CC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])cc1 ZINC000736262507 600094132 /nfs/dbraw/zinc/09/41/32/600094132.db2.gz JEOQWYCWGOIVRO-UHFFFAOYSA-N -2 0 394.424 2.853 20 0 GFADRL CCOc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C(=O)OC)ccc1C ZINC000737192716 600100211 /nfs/dbraw/zinc/10/02/11/600100211.db2.gz YKEGCKLODYIBSK-UHFFFAOYSA-N -2 0 399.446 2.741 20 0 GFADRL CC1(C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C(F)(F)F)c2)CCCC1 ZINC000736728150 600100472 /nfs/dbraw/zinc/10/04/72/600100472.db2.gz LZOINGXYRGQYIG-UHFFFAOYSA-N -2 0 379.356 2.789 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2-n2cccn2)c(F)cc1F ZINC000740090142 600233389 /nfs/dbraw/zinc/23/33/89/600233389.db2.gz ULNPSYNWHJXSCF-UHFFFAOYSA-N -2 0 379.344 2.650 20 0 GFADRL COC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cc1 ZINC000737644539 600233896 /nfs/dbraw/zinc/23/38/96/600233896.db2.gz XVINEWFIRJYBPU-UHFFFAOYSA-N -2 0 386.332 2.642 20 0 GFADRL CCN1CCc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(F)cc3F)cc21 ZINC000737123280 600234897 /nfs/dbraw/zinc/23/48/97/600234897.db2.gz QVZGNIINWKUPGL-UHFFFAOYSA-N -2 0 382.388 2.846 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)n(-c2ccccc2C)n1 ZINC000738463182 600244500 /nfs/dbraw/zinc/24/45/00/600244500.db2.gz BLWVIMOPJAGTFR-UHFFFAOYSA-N -2 0 385.445 2.917 20 0 GFADRL C[C@H]1CN(c2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3F)cc2)CCO1 ZINC000736822963 600256353 /nfs/dbraw/zinc/25/63/53/600256353.db2.gz FYLMEKJNLUKHJL-LBPRGKRZSA-N -2 0 394.424 2.550 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OCCc3ccccc3)nc2)o1 ZINC000740187753 600256668 /nfs/dbraw/zinc/25/66/68/600256668.db2.gz TXNDWJLMTMWIPN-UHFFFAOYSA-N -2 0 388.401 2.795 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Br)cn2)c(F)cc1F ZINC000740089942 600424707 /nfs/dbraw/zinc/42/47/07/600424707.db2.gz OVADGYFDJIESJK-UHFFFAOYSA-N -2 0 393.165 2.621 20 0 GFADRL COc1ccc(-c2cc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])sc2C)cc1 ZINC000737908610 600464203 /nfs/dbraw/zinc/46/42/03/600464203.db2.gz FSONFEPPWGJIEH-UHFFFAOYSA-N -2 0 397.474 2.657 20 0 GFADRL O=C([O-])c1ccc(N2CCCC2)c([N-]S(=O)(=O)c2cccnc2Cl)c1 ZINC000740144446 600513267 /nfs/dbraw/zinc/51/32/67/600513267.db2.gz OPRNQKDOSVMAEO-UHFFFAOYSA-N -2 0 381.841 2.834 20 0 GFADRL CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cnccc2C(=O)[O-])cc1 ZINC000736241228 600514377 /nfs/dbraw/zinc/51/43/77/600514377.db2.gz IOQDEJLFXPFQRE-UHFFFAOYSA-N -2 0 377.422 2.565 20 0 GFADRL CC(C)NC(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000481974654 600626811 /nfs/dbraw/zinc/62/68/11/600626811.db2.gz CNRMZLYEVRICQH-UHFFFAOYSA-N -2 0 391.449 2.644 20 0 GFADRL COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1cc(Cl)cc(C(=O)[O-])c1 ZINC000737647935 600637898 /nfs/dbraw/zinc/63/78/98/600637898.db2.gz BTHDJFOSAMGODD-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(C(=O)[O-])c2)s1 ZINC000737702363 600637908 /nfs/dbraw/zinc/63/79/08/600637908.db2.gz LVBPFBVSHRCDOB-UHFFFAOYSA-N -2 0 375.811 2.687 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2cc(CC(C)(C)C)nn2C)cc1C(=O)[O-] ZINC000738063874 600659571 /nfs/dbraw/zinc/65/95/71/600659571.db2.gz LOSFLSODGQRWKR-UHFFFAOYSA-N -2 0 381.454 2.516 20 0 GFADRL CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3cnn(CC(=O)[O-])c3)ccc21 ZINC000737298730 600674216 /nfs/dbraw/zinc/67/42/16/600674216.db2.gz BIAKZXTXSWENDU-UHFFFAOYSA-N -2 0 398.444 2.896 20 0 GFADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2cccc(CCCc3ccccc3)c2)cn1 ZINC000833273658 600680575 /nfs/dbraw/zinc/68/05/75/600680575.db2.gz BDOXRTAFNDRYCU-UHFFFAOYSA-N -2 0 399.472 2.944 20 0 GFADRL COc1ccccc1-n1cc(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])cn1 ZINC000484480961 600680677 /nfs/dbraw/zinc/68/06/77/600680677.db2.gz BMWGWTHADGPHRB-UHFFFAOYSA-N -2 0 391.380 2.519 20 0 GFADRL CCc1c([O-])nc(SC/C=C(/C)C(=O)[O-])n(-c2cccc(OC)c2)c1=O ZINC000830210036 600728790 /nfs/dbraw/zinc/72/87/90/600728790.db2.gz UNBBKINXPMYSLT-FLIBITNWSA-N -2 0 376.434 2.632 20 0 GFADRL Cc1ccc2c(CCC(=O)[N-]S(=O)(=O)c3ccc(C(=O)[O-])s3)c[nH]c2c1 ZINC000832960294 600801989 /nfs/dbraw/zinc/80/19/89/600801989.db2.gz OZSYDUYKUXEWEO-UHFFFAOYSA-N -2 0 392.458 2.674 20 0 GFADRL Cc1nc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)ccc1Br ZINC000097992178 600829050 /nfs/dbraw/zinc/82/90/50/600829050.db2.gz FOVJSZFXFXEOTF-UHFFFAOYSA-N -2 0 377.241 2.713 20 0 GFADRL Cn1cc(S(=O)(=O)[N-]c2cccc(-c3ccc4c(c3)CCO4)n2)cc1C(=O)[O-] ZINC000833055525 600830725 /nfs/dbraw/zinc/83/07/25/600830725.db2.gz OTVQBKSJGAMXBZ-UHFFFAOYSA-N -2 0 399.428 2.521 20 0 GFADRL COc1ccc(NC(C)=O)cc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000738038145 600886910 /nfs/dbraw/zinc/88/69/10/600886910.db2.gz BOJUYOHHAPWOHV-UHFFFAOYSA-N -2 0 398.824 2.806 20 0 GFADRL CCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000671657722 600887068 /nfs/dbraw/zinc/88/70/68/600887068.db2.gz KJSHYCOOTJJUNI-UHFFFAOYSA-N -2 0 376.434 2.634 20 0 GFADRL COc1ccc(C(=O)[O-])c(NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC000737939398 600890636 /nfs/dbraw/zinc/89/06/36/600890636.db2.gz HAAGCBSPVABKGX-UHFFFAOYSA-N -2 0 385.781 2.546 20 0 GFADRL CCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc(OC)c2OC)cc1 ZINC000467320136 600898686 /nfs/dbraw/zinc/89/86/86/600898686.db2.gz UMMXJRHEBJZNIV-UHFFFAOYSA-N -2 0 381.406 2.602 20 0 GFADRL COC(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000610111188 600899332 /nfs/dbraw/zinc/89/93/32/600899332.db2.gz DMPGAYUJHNAAGP-UHFFFAOYSA-N -2 0 377.418 2.636 20 0 GFADRL Cc1cc(Br)cc(C)c1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccn1 ZINC000832858449 600983214 /nfs/dbraw/zinc/98/32/14/600983214.db2.gz ILHQVORQMCHSED-UHFFFAOYSA-N -2 0 385.239 2.960 20 0 GFADRL O=C([O-])CCOc1ccc(S(=O)(=O)[N-]c2ccnn2-c2ccccc2)cc1 ZINC000833240235 600988863 /nfs/dbraw/zinc/98/88/63/600988863.db2.gz QUXAGXPNGZORBW-UHFFFAOYSA-N -2 0 387.417 2.527 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc(C)c(NC(C)=O)c1C ZINC000831945062 601200568 /nfs/dbraw/zinc/20/05/68/601200568.db2.gz FECBCEGWOFANCR-UHFFFAOYSA-N -2 0 398.462 2.831 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc2c(c1)OC(C)(C)O2 ZINC000831946840 601203215 /nfs/dbraw/zinc/20/32/15/601203215.db2.gz ZKXXCSJJQAAMRL-UHFFFAOYSA-N -2 0 385.419 2.763 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1c(F)cccc1-n1cccn1 ZINC000831939191 601203939 /nfs/dbraw/zinc/20/39/39/601203939.db2.gz DXFZKIVLVIKPJN-UHFFFAOYSA-N -2 0 397.409 2.581 20 0 GFADRL COCCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)cc1Cl ZINC000831779339 601233048 /nfs/dbraw/zinc/23/30/48/601233048.db2.gz JQXAFBIBIIMVEE-UHFFFAOYSA-N -2 0 389.813 2.766 20 0 GFADRL COc1ccccc1-c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)n[nH]1 ZINC000674053912 601240838 /nfs/dbraw/zinc/24/08/38/601240838.db2.gz FEULLGSFLLSRAJ-UHFFFAOYSA-N -2 0 387.417 2.893 20 0 GFADRL CC(C)CNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000013262198 601318939 /nfs/dbraw/zinc/31/89/39/601318939.db2.gz YFQVTURLAROKJN-UHFFFAOYSA-N -2 0 394.424 2.711 20 0 GFADRL COC(=O)c1c(F)cccc1[N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000831225671 601330621 /nfs/dbraw/zinc/33/06/21/601330621.db2.gz AEHSCXNNHBURRX-YFHOEESVSA-N -2 0 379.365 2.511 20 0 GFADRL COc1ccc(Br)c(S(=O)(=O)[N-]c2cc(C)[nH]c2C(=O)[O-])c1 ZINC000832143199 601331739 /nfs/dbraw/zinc/33/17/39/601331739.db2.gz WGTUCROHJOGSDA-UHFFFAOYSA-N -2 0 389.227 2.593 20 0 GFADRL COC(=O)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)ccc1C ZINC000747621370 601334399 /nfs/dbraw/zinc/33/43/99/601334399.db2.gz SIGNVROQFAMGMX-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nc2c(s1)CCCCC2 ZINC000832208832 601358882 /nfs/dbraw/zinc/35/88/82/601358882.db2.gz XFOJPZHDSSXPLM-UHFFFAOYSA-N -2 0 382.463 2.920 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)ccc1N(C)C ZINC000013059661 601359517 /nfs/dbraw/zinc/35/95/17/601359517.db2.gz XDGUZEVPHJQNEE-UHFFFAOYSA-N -2 0 384.841 2.914 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)nc1 ZINC000832413321 601361352 /nfs/dbraw/zinc/36/13/52/601361352.db2.gz PQRXGXNOJHGRJK-UHFFFAOYSA-N -2 0 377.205 2.896 20 0 GFADRL O=C([O-])C[C@H](NC(=O)c1nn(-c2ccc(F)cc2F)cc1[O-])c1cccs1 ZINC000833199794 601387271 /nfs/dbraw/zinc/38/72/71/601387271.db2.gz FCJQOSAXHWNGCR-NSHDSACASA-N -2 0 393.371 2.863 20 0 GFADRL CCC(C)(C)OCc1cccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c1C ZINC000828612404 601387935 /nfs/dbraw/zinc/38/79/35/601387935.db2.gz VDXNHBWDMJMFPG-UHFFFAOYSA-N -2 0 395.481 2.782 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ncn(Cc3ccc(Cl)cc3)n2)cs1 ZINC000833306216 601473369 /nfs/dbraw/zinc/47/33/69/601473369.db2.gz KNPRAHKQEPSIBI-UHFFFAOYSA-N -2 0 398.853 2.540 20 0 GFADRL COc1cc(OC)c([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)cc1F ZINC000832030618 601490004 /nfs/dbraw/zinc/49/00/04/601490004.db2.gz VGKVKIWMVFVFPE-UHFFFAOYSA-N -2 0 389.788 2.995 20 0 GFADRL CCCCCc1nnc([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2OC)s1 ZINC000829373457 601502234 /nfs/dbraw/zinc/50/22/34/601502234.db2.gz XBEHUGHINOPCLA-UHFFFAOYSA-N -2 0 391.496 2.840 20 0 GFADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2nnc(Cc3ccccc3)s2)c1 ZINC000833333483 601502903 /nfs/dbraw/zinc/50/29/03/601502903.db2.gz AYCSZMXZNCJFKT-UHFFFAOYSA-N -2 0 375.431 2.628 20 0 GFADRL O=C([O-])C[C@H](NC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-])C1CC1 ZINC000833200595 601563771 /nfs/dbraw/zinc/56/37/71/601563771.db2.gz VMPHPRWRXQHEQL-NSHDSACASA-N -2 0 383.326 2.580 20 0 GFADRL COc1ccccc1-c1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)n[nH]1 ZINC000675628473 601604014 /nfs/dbraw/zinc/60/40/14/601604014.db2.gz APOKWSJNEWZVOV-UHFFFAOYSA-N -2 0 387.417 2.893 20 0 GFADRL CC[C@H](NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(C)c1)C(=O)[O-] ZINC000486198534 601749516 /nfs/dbraw/zinc/74/95/16/601749516.db2.gz UDBQCIYXAWOFHN-HNNXBMFYSA-N -2 0 394.424 2.528 20 0 GFADRL CC[C@H](NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1C)C(=O)[O-] ZINC000828978167 601751414 /nfs/dbraw/zinc/75/14/14/601751414.db2.gz HQBAQRILHBJUPU-AWEZNQCLSA-N -2 0 394.424 2.528 20 0 GFADRL O=C([O-])C[C@@H]1CN(C(=O)c2nn(-c3ccc(F)cc3)cc2[O-])c2ccccc21 ZINC000833219570 601758007 /nfs/dbraw/zinc/75/80/07/601758007.db2.gz WNEVNELOXQQBEK-GFCCVEGCSA-N -2 0 381.363 2.936 20 0 GFADRL Cc1c(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)c2)cnn1-c1ccc(Cl)cc1 ZINC000832855905 601783310 /nfs/dbraw/zinc/78/33/10/601783310.db2.gz HDDWCKZNXDKCKZ-UHFFFAOYSA-N -2 0 394.840 2.672 20 0 GFADRL COC(=O)c1cc([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])cn1C ZINC000831327319 601784190 /nfs/dbraw/zinc/78/41/90/601784190.db2.gz HIVGGLRUCRUFDN-UHFFFAOYSA-N -2 0 394.430 2.525 20 0 GFADRL COCCc1nc2cc([N-]S(=O)(=O)c3cc(F)ccc3C(=O)[O-])ccc2o1 ZINC000831795799 601795314 /nfs/dbraw/zinc/79/53/14/601795314.db2.gz LRIVRVQSBQTMLG-UHFFFAOYSA-N -2 0 394.380 2.655 20 0 GFADRL COC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c1 ZINC000069147776 601830968 /nfs/dbraw/zinc/83/09/68/601830968.db2.gz BDLSNNXKIZHTKJ-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])cc1C ZINC000825908001 601833230 /nfs/dbraw/zinc/83/32/30/601833230.db2.gz KFUHDCFNCXCQNV-UHFFFAOYSA-N -2 0 383.813 2.501 20 0 GFADRL Cc1nc(-c2ccc([N-]S(=O)(=O)c3csnc3C(=O)[O-])cc2)oc1C ZINC000832990864 601837666 /nfs/dbraw/zinc/83/76/66/601837666.db2.gz FVEMQYXLGRTHPG-UHFFFAOYSA-N -2 0 379.419 2.914 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(-c3nc[nH]n3)cc2)c(Cl)cc1F ZINC000731902338 601841476 /nfs/dbraw/zinc/84/14/76/601841476.db2.gz NINJYCFSQDVZDF-UHFFFAOYSA-N -2 0 396.787 2.763 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2O[C@H]2CCOC2)c(F)cc1F ZINC000833306267 601856122 /nfs/dbraw/zinc/85/61/22/601856122.db2.gz LXCUSGQXQVLAFD-JTQLQIEISA-N -2 0 399.371 2.632 20 0 GFADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC(C)C ZINC000466289224 601860380 /nfs/dbraw/zinc/86/03/80/601860380.db2.gz OUYDNSLFHVYDCL-UHFFFAOYSA-N -3 0 393.417 2.979 20 0 GFADRL Cc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000444670177 601881034 /nfs/dbraw/zinc/88/10/34/601881034.db2.gz AAXQAZVWIPBNQC-UHFFFAOYSA-N -2 0 399.808 2.611 20 0 GFADRL Cc1cc(S(=O)(=O)N(CCC(=O)[O-])c2cccc(F)c2)cc(C(=O)[O-])c1F ZINC000832901302 601986038 /nfs/dbraw/zinc/98/60/38/601986038.db2.gz TXRSRXFHRWFSEZ-UHFFFAOYSA-N -2 0 399.371 2.641 20 0 GFADRL O=C([O-])Cc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])cc3c2CCCC3)c1 ZINC000461872343 601987426 /nfs/dbraw/zinc/98/74/26/601987426.db2.gz RXXYZIAJQVERGT-UHFFFAOYSA-N -2 0 389.429 2.692 20 0 GFADRL O=C([O-])Nc1cc(C(=O)[N-]S(=O)(=O)C2CCCC2)cc(C(F)(F)F)c1 ZINC000833280794 602041221 /nfs/dbraw/zinc/04/12/21/602041221.db2.gz BMJWNLMNDGYYSU-UHFFFAOYSA-N -2 0 380.344 2.798 20 0 GFADRL O=C([O-])CCc1nnc([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)s1 ZINC000833242519 602103649 /nfs/dbraw/zinc/10/36/49/602103649.db2.gz RHZQJZJJVVSGNY-UHFFFAOYSA-N -2 0 399.347 2.514 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Br)nc2)c(Cl)c1 ZINC000386701659 602157003 /nfs/dbraw/zinc/15/70/03/602157003.db2.gz NNSRJJZLVATKED-UHFFFAOYSA-N -2 0 391.630 2.997 20 0 GFADRL Cc1c(S(=O)(=O)[N-]c2cc(Cl)ccc2C(=O)[O-])cnn1-c1ccccn1 ZINC000548538834 602195471 /nfs/dbraw/zinc/19/54/71/602195471.db2.gz XQOPENAOAIZLTE-UHFFFAOYSA-N -2 0 392.824 2.728 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2nnc(-c3ccccn3)s2)c1C ZINC000832866869 602306888 /nfs/dbraw/zinc/30/68/88/602306888.db2.gz XWBBUNHCOLLICN-UHFFFAOYSA-N -2 0 390.446 2.716 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])ccc1F ZINC000740717174 602646929 /nfs/dbraw/zinc/64/69/29/602646929.db2.gz SZOFFRGBRRMQMZ-UHFFFAOYSA-N -2 0 394.380 2.755 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])cc1 ZINC000740715527 602647000 /nfs/dbraw/zinc/64/70/00/602647000.db2.gz DNECDODMTDFWNN-UHFFFAOYSA-N -2 0 376.390 2.616 20 0 GFADRL O=C([O-])N[C@H](CCC(=O)[N-]S(=O)(=O)c1cccc(Cl)c1)c1ccccc1 ZINC000740541155 602670371 /nfs/dbraw/zinc/67/03/71/602670371.db2.gz XOOYWYVGSAWKBW-OAHLLOKOSA-N -2 0 396.852 2.934 20 0 GFADRL CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000740002655 602786141 /nfs/dbraw/zinc/78/61/41/602786141.db2.gz QINSYXKRUSEVAY-UHFFFAOYSA-N -2 0 385.348 2.679 20 0 GFADRL CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc([C@H](C)NC(=O)[O-])cc2)o1 ZINC000827350054 604044665 /nfs/dbraw/zinc/04/46/65/604044665.db2.gz QCLPXCPSWDSVQJ-JTQLQIEISA-N -2 0 382.394 2.586 20 0 GFADRL Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)[C@@H](C)[C@@H](NC(=O)[O-])c2ccccc2)c1 ZINC000830275181 604208396 /nfs/dbraw/zinc/20/83/96/604208396.db2.gz QFURWZXGCFBZOC-WMLDXEAASA-N -2 0 390.461 2.753 20 0 GFADRL CC(C)(C(=O)[O-])[C@@H](NC(=O)CSc1n[n-]c(=S)s1)c1ccccc1 ZINC000826090068 604378063 /nfs/dbraw/zinc/37/80/63/604378063.db2.gz PEOGMOOJPYUHIL-NSHDSACASA-N -2 0 383.520 2.887 20 0 GFADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000443363075 604502557 /nfs/dbraw/zinc/50/25/57/604502557.db2.gz UQWCADAYBPVVCF-UHFFFAOYSA-N -3 0 383.378 2.574 20 0 GFADRL CC(=O)N(Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)cc1)C(C)C ZINC000266794140 604503086 /nfs/dbraw/zinc/50/30/86/604503086.db2.gz QALMCSYGDKKCID-UHFFFAOYSA-N -2 0 394.449 2.844 20 0 GFADRL O=C([O-])C[C@H]1CCCN1C(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000263049715 604596132 /nfs/dbraw/zinc/59/61/32/604596132.db2.gz WJMZIMCAMNVBMZ-CQSZACIVSA-N -2 0 394.474 2.628 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)cc(Cl)c1F ZINC000366362494 604632163 /nfs/dbraw/zinc/63/21/63/604632163.db2.gz SSNJTYHWNOEBLE-LLVKDONJSA-N -2 0 399.783 2.554 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])c(F)c2)c(Cl)cc1F ZINC000832903022 604890242 /nfs/dbraw/zinc/89/02/42/604890242.db2.gz MIZDGWNEIZKHDZ-UHFFFAOYSA-N -2 0 389.763 2.744 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1n[nH]c2c1cccc2Cl ZINC000832208652 605013879 /nfs/dbraw/zinc/01/38/79/605013879.db2.gz KRGWPFKUOFDHNM-UHFFFAOYSA-N -2 0 381.797 2.724 20 0 GFADRL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]c1ccc(NC(=O)[O-])c(F)c1 ZINC000833715909 605264628 /nfs/dbraw/zinc/26/46/28/605264628.db2.gz IDMDBCCTXSJCGO-UHFFFAOYSA-N -2 0 386.332 2.642 20 0 GFADRL CC[C@H](C)[C@H](C)C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000833639846 605679853 /nfs/dbraw/zinc/67/98/53/605679853.db2.gz ZFIIWVADINYBQY-IUCAKERBSA-N -2 0 381.372 2.891 20 0 GFADRL O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000834172616 606062801 /nfs/dbraw/zinc/06/28/01/606062801.db2.gz MXTSHMNKOONHMS-BPQIPLTHSA-N -2 0 384.432 2.636 20 0 GFADRL O=C([O-])N[C@@H]1CCc2ncc([N-]S(=O)(=O)c3cc4ccccc4o3)cc2C1 ZINC000834195442 606079772 /nfs/dbraw/zinc/07/97/72/606079772.db2.gz YELYUUUTYBSMIP-CYBMUJFWSA-N -2 0 387.417 2.754 20 0 GFADRL CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])cs2)c1 ZINC000833687402 660809158 /nfs/dbraw/zinc/80/91/58/660809158.db2.gz QSZKTQZXVZDXLL-UHFFFAOYSA-N -2 0 388.854 2.602 20 0 GFADRL COc1ccccc1[N-]S(=O)(=O)c1ccc(Br)c(C(=O)[O-])c1 ZINC000013345393 654504820 /nfs/dbraw/zinc/50/48/20/654504820.db2.gz ZUUQPIOUZHWTQK-UHFFFAOYSA-N -2 0 386.223 2.957 20 0 GFADRL COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1ccc(Cl)c(C(=O)[O-])c1 ZINC000064477427 654870103 /nfs/dbraw/zinc/87/01/03/654870103.db2.gz HDBGLPUGGCKUEQ-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL Cc1c([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cccc1OCC(F)(F)F ZINC000068078372 654953779 /nfs/dbraw/zinc/95/37/79/654953779.db2.gz SPCHJXGYNODQBI-UHFFFAOYSA-N -2 0 378.328 2.763 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2cc(F)c(C(=O)[O-])c(F)c2)sc1C(=O)[O-] ZINC000742232328 655712680 /nfs/dbraw/zinc/71/26/80/655712680.db2.gz PWIBINRLLTXWIK-UHFFFAOYSA-N -3 0 377.346 2.532 20 0 GFADRL CC(=O)N(C)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC000745978280 655757124 /nfs/dbraw/zinc/75/71/24/655757124.db2.gz JASYEJUVLGMNCT-UHFFFAOYSA-N -2 0 382.825 2.822 20 0 GFADRL O=C([O-])c1cc(F)c(F)c(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])c1 ZINC000756938303 655907317 /nfs/dbraw/zinc/90/73/17/655907317.db2.gz GRWXKZHIPTXFLM-UHFFFAOYSA-N -3 0 391.735 2.815 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2cc(C)c(Cl)c(C(=O)[O-])c2)c(OC)n1 ZINC000759096020 655947353 /nfs/dbraw/zinc/94/73/53/655947353.db2.gz HSJQZCLYTZBECW-UHFFFAOYSA-N -2 0 386.813 2.560 20 0 GFADRL Cn1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc(C(F)(F)F)c2)nc1Cl ZINC000759708071 655961649 /nfs/dbraw/zinc/96/16/49/655961649.db2.gz ZUHVFASUOAGYSU-UHFFFAOYSA-N -2 0 383.735 2.591 20 0 GFADRL CC(C)(C)n1cc([N-]S(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)cn1 ZINC000767732547 656217231 /nfs/dbraw/zinc/21/72/31/656217231.db2.gz DRWLSDPWPRJAOI-UHFFFAOYSA-N -2 0 375.809 2.930 20 0 GFADRL Cc1noc(C)c1[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000769627697 656283093 /nfs/dbraw/zinc/28/30/93/656283093.db2.gz VTDKTZHXWAPFPR-UHFFFAOYSA-N -2 0 381.229 2.614 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)N(C)c2ccc(C(=O)[O-])cc2)c1Cl ZINC000783531314 657238146 /nfs/dbraw/zinc/23/81/46/657238146.db2.gz BKTLRIYRNLLVNQ-UHFFFAOYSA-N -2 0 383.809 2.870 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)N(C)c2ccccc2C(=O)[O-])c1Cl ZINC000790397971 657967825 /nfs/dbraw/zinc/96/78/25/657967825.db2.gz IZPSXJLPTSQSOM-UHFFFAOYSA-N -2 0 383.809 2.870 20 0 GFADRL Cc1nc(Cl)ccc1S(=O)(=O)[N-]c1cccc(C(=O)CCC(=O)[O-])c1 ZINC000808097699 659876515 /nfs/dbraw/zinc/87/65/15/659876515.db2.gz OQHDTTQCIVEEJC-UHFFFAOYSA-N -2 0 382.825 2.892 20 0 GFADRL O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1ccc(F)cc1Cl ZINC000852735797 661872928 /nfs/dbraw/zinc/87/29/28/661872928.db2.gz JPLVAHOPQFQUMO-RYUDHWBXSA-N -2 0 382.741 2.575 20 0 GFADRL O=C([O-])CC1(NC(=O)c2cc(Br)c([O-])c(Br)c2)CC1 ZINC000909898031 664182524 /nfs/dbraw/zinc/18/25/24/664182524.db2.gz WJWAQPRNPARBCX-UHFFFAOYSA-N -2 0 393.031 2.654 20 0 GFADRL O=C([O-])CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1occc1Br ZINC000926487030 664690500 /nfs/dbraw/zinc/69/05/00/664690500.db2.gz RSKWLFPHXRXWGH-GXSJLCMTSA-N -2 0 380.260 2.744 20 0 GFADRL O=C([O-])c1ccc(Br)c(S(=O)(=O)[N-]c2ccc3c[nH]nc3c2)c1 ZINC000390762753 677408887 /nfs/dbraw/zinc/40/88/87/677408887.db2.gz ZUWCOFOPPGNEJP-UHFFFAOYSA-N -2 0 396.222 2.824 20 0 GFADRL C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)N=c2nc(-c3ccccc3Cl)[n-]s2)C1 ZINC000422534202 563342304 /nfs/dbraw/zinc/34/23/04/563342304.db2.gz AHSBPVFXBQAZNU-UWVGGRQHSA-N -2 0 380.857 2.855 20 0 GFADRL CCOc1ccc(Br)cc1S(=O)(=O)NCCCCCC(=O)[O-] ZINC000314312721 563438426 /nfs/dbraw/zinc/43/84/26/563438426.db2.gz XBIZKNYRJBIGML-UHFFFAOYSA-N -2 0 394.287 2.771 20 0 GFADRL CCOc1ccc(Br)cc1S(=O)(=O)NC1(C(=O)[O-])CCCC1 ZINC000314165066 563438625 /nfs/dbraw/zinc/43/86/25/563438625.db2.gz AZNTVJHMNPHDGI-UHFFFAOYSA-N -2 0 392.271 2.524 20 0 GFADRL Cc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1O ZINC000314424960 563439348 /nfs/dbraw/zinc/43/93/48/563439348.db2.gz FARWOCLJUDRAHF-UHFFFAOYSA-N -2 0 386.223 2.962 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3cc(Br)cnc32)c[nH]1 ZINC000322418540 563449824 /nfs/dbraw/zinc/44/98/24/563449824.db2.gz UWNMNCWITGCUMD-UHFFFAOYSA-N -2 0 396.222 2.824 20 0 GFADRL Cc1ccc([N-]S(=O)(=O)c2cc3c(cc2Cl)NC(=O)C3)c(C(=O)[O-])c1 ZINC000327290349 563457326 /nfs/dbraw/zinc/45/73/26/563457326.db2.gz MNHWICAQBKXCMR-UHFFFAOYSA-N -2 0 380.809 2.642 20 0 GFADRL CC(C)CNC(=O)c1ccccc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000327644125 563459422 /nfs/dbraw/zinc/45/94/22/563459422.db2.gz TXBJTJAUHOMGFS-UHFFFAOYSA-N -2 0 382.463 2.633 20 0 GFADRL CN(C)C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000392986060 563527806 /nfs/dbraw/zinc/52/78/06/563527806.db2.gz IZOHSXOUMOHQNA-UHFFFAOYSA-N -2 0 382.825 2.541 20 0 GFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(Br)ccc2F)cc1O ZINC000436770163 563679782 /nfs/dbraw/zinc/67/97/82/563679782.db2.gz LNIKUTJYWVCFNH-UHFFFAOYSA-N -2 0 390.186 2.793 20 0 GFADRL Cc1cc(C)c(C(=O)[O-])c([N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)c1 ZINC000451022956 564264399 /nfs/dbraw/zinc/26/43/99/564264399.db2.gz SXFXKIWREPGVNG-UHFFFAOYSA-N -2 0 377.344 2.555 20 0 GFADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@]1(C(=O)[O-])CCC(C)(C)c2ccccc21 ZINC000541929410 564295299 /nfs/dbraw/zinc/29/52/99/564295299.db2.gz UWCAIARZZGEYSE-ZUZCIYMTSA-N -2 0 379.400 2.908 20 0 GFADRL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1O ZINC000476398402 564338033 /nfs/dbraw/zinc/33/80/33/564338033.db2.gz FQEXRJRDEHWNAP-UHFFFAOYSA-N -3 0 385.781 2.551 20 0 GFADRL Cc1cc(C)c(C(=O)[O-])c([N-]S(=O)(=O)c2cnn(CC(F)(F)F)c2)c1 ZINC000479512687 564442259 /nfs/dbraw/zinc/44/22/59/564442259.db2.gz IJNDGCNVOTYXIR-UHFFFAOYSA-N -2 0 377.344 2.561 20 0 GFADRL COC(=O)c1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc2[nH]ccc21 ZINC000569404291 564461721 /nfs/dbraw/zinc/46/17/21/564461721.db2.gz MXZMZOLRMNTYJB-UHFFFAOYSA-N -2 0 380.403 2.515 20 0 GFADRL COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]c1c(C)cccc1C(=O)[O-] ZINC000547559570 564494014 /nfs/dbraw/zinc/49/40/14/564494014.db2.gz JRAGALFIXIKNRP-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL COc1cc(Cl)c(S(=O)(=O)N[C@H]2CCC[C@@]2(C)C(=O)[O-])cc1Cl ZINC000547889671 564516773 /nfs/dbraw/zinc/51/67/73/564516773.db2.gz QDMGXQVYAZBVGC-GXTWGEPZSA-N -2 0 382.265 2.924 20 0 GFADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1Br ZINC000548248934 564542934 /nfs/dbraw/zinc/54/29/34/564542934.db2.gz UQMHJJWVHFWBIW-RXMQYKEDSA-N -2 0 376.150 2.840 20 0 GFADRL COC(=O)Cc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2C(=O)[O-])s1 ZINC000548536230 564557417 /nfs/dbraw/zinc/55/74/17/564557417.db2.gz WYBQJFBIEGLHSM-UHFFFAOYSA-N -2 0 383.447 2.579 20 0 GFADRL COCc1ccccc1S(=O)(=O)[N-]c1c(OC)ccc(Cl)c1C(=O)[O-] ZINC000484671976 564594785 /nfs/dbraw/zinc/59/47/85/564594785.db2.gz UGMQZJYZHKHHDH-UHFFFAOYSA-N -2 0 385.825 2.994 20 0 GFADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)s1 ZINC000520502370 564606088 /nfs/dbraw/zinc/60/60/88/564606088.db2.gz QEZDECZFGFUBKM-UHFFFAOYSA-N -2 0 375.811 2.687 20 0 GFADRL COCc1ccccc1[N-]S(=O)(=O)c1cc(OC)c(C(=O)[O-])cc1Cl ZINC000485257914 564611069 /nfs/dbraw/zinc/61/10/69/564611069.db2.gz WGTOVLXPVPMHBP-UHFFFAOYSA-N -2 0 385.825 2.994 20 0 GFADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC000521144325 564619709 /nfs/dbraw/zinc/61/97/09/564619709.db2.gz FAJJJOVOVIEBEE-UHFFFAOYSA-N -3 0 380.403 2.735 20 0 GFADRL COC[C@@H](C)n1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)n1 ZINC000489011010 564726240 /nfs/dbraw/zinc/72/62/40/564726240.db2.gz KMUJOVRTSIBXFQ-SECBINFHSA-N -2 0 387.845 2.551 20 0 GFADRL CCc1nc(C)c([N-]S(=O)(=O)c2cc(OC)c(OC)c(C(=O)[O-])c2)s1 ZINC000488983850 564726298 /nfs/dbraw/zinc/72/62/98/564726298.db2.gz RKQWQFGNUCWREQ-UHFFFAOYSA-N -2 0 386.451 2.530 20 0 GFADRL Cc1ncsc1[C@H](NS(=O)(=O)c1csc(-c2ccccc2)n1)C(=O)[O-] ZINC000530339813 564876682 /nfs/dbraw/zinc/87/66/82/564876682.db2.gz VSZQOQOBFKDRKJ-LBPRGKRZSA-N -2 0 395.487 2.679 20 0 GFADRL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cn(C)nc1C(F)(F)F ZINC000463430155 564881631 /nfs/dbraw/zinc/88/16/31/564881631.db2.gz MFCSXYIQRGRFBV-UHFFFAOYSA-N -2 0 397.762 2.900 20 0 GFADRL COc1cc(OC)c([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)c(C(=O)[O-])c1 ZINC000533691230 564970438 /nfs/dbraw/zinc/97/04/38/564970438.db2.gz YOMOJJSHBQVBJX-UHFFFAOYSA-N -2 0 389.788 2.995 20 0 GFADRL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)CCc1scnc1C ZINC000650405114 565818423 /nfs/dbraw/zinc/81/84/23/565818423.db2.gz MADWUHLNLLEIKS-UHFFFAOYSA-N -2 0 388.442 2.672 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnc(C3CC3)nc2)c(Br)c1 ZINC000673884499 565851085 /nfs/dbraw/zinc/85/10/85/565851085.db2.gz ASLPKOHCQDNEKC-UHFFFAOYSA-N -2 0 398.238 2.616 20 0 GFADRL Cc1noc2ncc(S(=O)(=O)[N-]c3c(C)c(Cl)ccc3C(=O)[O-])cc12 ZINC000681562616 566112382 /nfs/dbraw/zinc/11/23/82/566112382.db2.gz ZDDSATLFMZBRHF-UHFFFAOYSA-N -2 0 381.797 2.992 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)c(OC)n1 ZINC000684558751 566238808 /nfs/dbraw/zinc/23/88/08/566238808.db2.gz XGFDPHOGWPBJKP-UHFFFAOYSA-N -2 0 386.813 2.560 20 0 GFADRL Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)Nc1cccc(Cl)c1[O-] ZINC000737198468 599010523 /nfs/dbraw/zinc/01/05/23/599010523.db2.gz ABJWQGPYCJEQBA-UHFFFAOYSA-N -2 0 388.815 2.514 20 0 GFADRL O=C([O-])Cc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])cc2c1CCCC2 ZINC000819626124 597313782 /nfs/dbraw/zinc/31/37/82/597313782.db2.gz JNPKASIWICTXIW-UHFFFAOYSA-N -2 0 389.429 2.692 20 0 GFADRL Cc1nc(-c2cccc([N-]S(=O)(=O)c3n[nH]c(C)c3C(=O)[O-])c2)cs1 ZINC000738831916 600231530 /nfs/dbraw/zinc/23/15/30/600231530.db2.gz KPGGJBKUNNSREF-UHFFFAOYSA-N -2 0 378.435 2.649 20 0 GFADRL Cc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)ccc1OCCCC(=O)[O-] ZINC000060360535 599768160 /nfs/dbraw/zinc/76/81/60/599768160.db2.gz CBJYNMLSZDZLKT-UHFFFAOYSA-N -2 0 393.417 2.738 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3n[nH]c(C4CC4)n3)cc2)s1 ZINC000740177103 599769126 /nfs/dbraw/zinc/76/91/26/599769126.db2.gz CDUYXVUEZPGFQY-UHFFFAOYSA-N -2 0 390.446 2.910 20 0 GFADRL CC(C)OC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1 ZINC000736484862 599802022 /nfs/dbraw/zinc/80/20/22/599802022.db2.gz LYBCWZJIUBMVCR-UHFFFAOYSA-N -2 0 387.797 2.997 20 0 GFADRL CCCOc1cccc([N-]S(=O)(=O)c2cc(C(=O)OC)sc2C(=O)[O-])c1 ZINC000737034811 599813013 /nfs/dbraw/zinc/81/30/13/599813013.db2.gz QALVMNVZDQOSGT-UHFFFAOYSA-N -2 0 399.446 2.823 20 0 GFADRL N#Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Br)ccc1F ZINC000390546028 599849545 /nfs/dbraw/zinc/84/95/45/599849545.db2.gz INRQOFPHBIOLJP-UHFFFAOYSA-N -2 0 399.197 2.959 20 0 GFADRL COC(=O)c1c(F)cccc1[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC000737647959 599850809 /nfs/dbraw/zinc/85/08/09/599850809.db2.gz BYMQPPBHTWYVOU-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL C[C@H](CC(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)c1ccccc1F ZINC000736549418 599954332 /nfs/dbraw/zinc/95/43/32/599954332.db2.gz VDIJXIRGGCIRLC-GFCCVEGCSA-N -2 0 379.409 2.664 20 0 GFADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(-c3ncon3)cc2)c1 ZINC000726930558 599981412 /nfs/dbraw/zinc/98/14/12/599981412.db2.gz PTWXNPBTNGHBNC-UHFFFAOYSA-N -2 0 379.781 2.889 20 0 GFADRL O=C([O-])CC[C@H](NC(=O)CC1(C(=O)[O-])Cc2ccccc2C1)c1ccccc1 ZINC000739658243 599981810 /nfs/dbraw/zinc/98/18/10/599981810.db2.gz BFADUGPGGYWKLT-SFHVURJKSA-N -2 0 381.428 2.969 20 0 GFADRL CC1=C(C(=O)[O-])[C@H](c2csc(C3CC3)n2)NC(=O)N1CCCCC(=O)[O-] ZINC000736745558 599988477 /nfs/dbraw/zinc/98/84/77/599988477.db2.gz DKAKOWMHPHVSJK-AWEZNQCLSA-N -2 0 379.438 2.700 20 0 GFADRL COc1ccc([C@@H]2NC(=O)N(CCCCCC(=O)[O-])C(C)=C2C(=O)[O-])cc1F ZINC000737986537 599988479 /nfs/dbraw/zinc/98/84/79/599988479.db2.gz LWPWUVQPJNUBKX-KRWDZBQOSA-N -2 0 394.399 2.904 20 0 GFADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccnn2Cc2ccccc2F)c1 ZINC000740270830 599998681 /nfs/dbraw/zinc/99/86/81/599998681.db2.gz GWAPJNHWXJNZFP-UHFFFAOYSA-N -2 0 381.410 2.631 20 0 GFADRL Cc1ccc(C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C(F)(F)F)c2)cc1 ZINC000738513320 600045138 /nfs/dbraw/zinc/04/51/38/600045138.db2.gz ITTZFGKAFQRWGH-UHFFFAOYSA-N -2 0 387.335 2.831 20 0 GFADRL O=C([O-])CCOc1ccc(S(=O)(=O)[N-]c2nc3ccccc3s2)cc1 ZINC000327261757 600051855 /nfs/dbraw/zinc/05/18/55/600051855.db2.gz DILPNRRLXIGHSS-UHFFFAOYSA-N -2 0 378.431 2.951 20 0 GFADRL Cc1ccc([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])cc1C(N)=O ZINC000738632796 600053372 /nfs/dbraw/zinc/05/33/72/600053372.db2.gz MLWNSGVACLJGLY-UHFFFAOYSA-N -2 0 390.442 2.808 20 0 GFADRL COc1ncccc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000738146227 600057790 /nfs/dbraw/zinc/05/77/90/600057790.db2.gz QELDSWOYXZEWHM-UHFFFAOYSA-N -2 0 376.312 2.608 20 0 GFADRL CCn1c(=O)c2ccc(C(=O)N3Cc4ccc(C(=O)[O-])cc4C3)cc2[n-]c1=S ZINC000737296385 600072303 /nfs/dbraw/zinc/07/23/03/600072303.db2.gz ZKGHRSZLJBZCQV-UHFFFAOYSA-N -2 0 395.440 2.559 20 0 GFADRL COCc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2OC(F)F)c1 ZINC000737834728 600237344 /nfs/dbraw/zinc/23/73/44/600237344.db2.gz GZSJIKSKHXANJO-UHFFFAOYSA-N -2 0 387.360 2.933 20 0 GFADRL CCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2 ZINC000737108896 600244897 /nfs/dbraw/zinc/24/48/97/600244897.db2.gz NOGLYPDYOAYKDR-UHFFFAOYSA-N -2 0 389.429 2.787 20 0 GFADRL CCc1cc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])n(C)n1 ZINC000737252894 600246681 /nfs/dbraw/zinc/24/66/81/600246681.db2.gz VOFZIYSWUQURHQ-UHFFFAOYSA-N -2 0 377.344 2.500 20 0 GFADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(-c3cn4ccccc4n3)cc2)c1C(=O)[O-] ZINC000738337107 600247179 /nfs/dbraw/zinc/24/71/79/600247179.db2.gz GVYKGOQYYMIODC-UHFFFAOYSA-N -2 0 397.416 2.532 20 0 GFADRL CC[C@H](Sc1ccccc1)C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000736928483 600420744 /nfs/dbraw/zinc/42/07/44/600420744.db2.gz JVZYZMQWIZKHEV-NSHDSACASA-N -2 0 385.488 2.822 20 0 GFADRL O=C([O-])c1ccnc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)c1 ZINC000740245620 600435430 /nfs/dbraw/zinc/43/54/30/600435430.db2.gz UJNGHNJTYADMOQ-UHFFFAOYSA-N -2 0 397.412 2.833 20 0 GFADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)C[C@H]2CCc3ccccc3C2)cc1 ZINC000739221647 600439470 /nfs/dbraw/zinc/43/94/70/600439470.db2.gz GKGGMKPEVRFEPM-HNNXBMFYSA-N -2 0 387.457 2.526 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)c(F)c2)s1 ZINC000740177637 600459345 /nfs/dbraw/zinc/45/93/45/600459345.db2.gz OUGFSSQCEUQXOZ-UHFFFAOYSA-N -2 0 384.410 2.513 20 0 GFADRL Cc1ccc2c(Cl)c(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])sc2c1 ZINC000738665339 600461568 /nfs/dbraw/zinc/46/15/68/600461568.db2.gz MMMNFKSKEUKFTI-UHFFFAOYSA-N -2 0 375.855 2.788 20 0 GFADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1 ZINC000739693543 600466063 /nfs/dbraw/zinc/46/60/63/600466063.db2.gz ZKGSCMJTZOKZAM-UHFFFAOYSA-N -2 0 399.371 2.682 20 0 GFADRL O=C([O-])c1occc1COC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000740289152 600546038 /nfs/dbraw/zinc/54/60/38/600546038.db2.gz CTWMHLOQJATYLA-UHFFFAOYSA-N -2 0 392.161 2.939 20 0 GFADRL CSCCCCC(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000738190185 600657856 /nfs/dbraw/zinc/65/78/56/600657856.db2.gz CQEWNBBLXPRAHE-UHFFFAOYSA-N -2 0 399.412 2.742 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2ccnn2[C@@H](C)CC(C)C)cc1C(=O)[O-] ZINC000738069904 600659251 /nfs/dbraw/zinc/65/92/51/600659251.db2.gz OBOATVZZYFWUHO-LBPRGKRZSA-N -2 0 381.454 2.998 20 0 GFADRL Cc1cccc(C[C@H](CNC(=O)c2nn(-c3ccccc3)cc2[O-])C(=O)[O-])c1 ZINC000832969832 600708284 /nfs/dbraw/zinc/70/82/84/600708284.db2.gz PCIYSYBANVDKRU-MRXNPFEDSA-N -2 0 379.416 2.560 20 0 GFADRL COC(=O)c1cc(OC)ccc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000737675334 600890601 /nfs/dbraw/zinc/89/06/01/600890601.db2.gz NVMTVHNNLLOSJW-UHFFFAOYSA-N -2 0 399.808 2.634 20 0 GFADRL Cn1c(=O)c2ccc(C(=O)Nc3ccc(C(C)(C)C(=O)[O-])cc3)cc2[n-]c1=S ZINC000739014772 600934074 /nfs/dbraw/zinc/93/40/74/600934074.db2.gz SOYZZXPQNYEJDU-UHFFFAOYSA-N -2 0 397.456 2.837 20 0 GFADRL Cc1cccc2c(CCC(=O)[N-]S(=O)(=O)c3ccc(C(=O)[O-])s3)c[nH]c21 ZINC000832976401 600941046 /nfs/dbraw/zinc/94/10/46/600941046.db2.gz URDFEVIDHWVWQT-UHFFFAOYSA-N -2 0 392.458 2.674 20 0 GFADRL C[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)c1cccc(Cl)c1 ZINC000826009027 600943499 /nfs/dbraw/zinc/94/34/99/600943499.db2.gz PDKLUCLCACDGEP-LLVKDONJSA-N -2 0 381.837 2.788 20 0 GFADRL Cc1ccc(-n2[n-]c(C(=O)N3C[C@H](C4CCCCC4)C[C@@H]3C(=O)[O-])cc2=O)cc1 ZINC000832909742 600979424 /nfs/dbraw/zinc/97/94/24/600979424.db2.gz ITNFKBQEWZDHDQ-VQIMIIECSA-N -2 0 397.475 2.970 20 0 GFADRL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2cccnc2N2CCCC2)c1 ZINC000833296870 600979627 /nfs/dbraw/zinc/97/96/27/600979627.db2.gz BIKLOCSAXMGANN-UHFFFAOYSA-N -2 0 381.841 2.834 20 0 GFADRL O=C([O-])CCc1ccc([N-]S(=O)(=O)c2cnn(-c3ccccc3F)c2)cc1 ZINC000739767795 601048948 /nfs/dbraw/zinc/04/89/48/601048948.db2.gz ZGKMJCOPPRDVFF-UHFFFAOYSA-N -2 0 389.408 2.829 20 0 GFADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000737946237 601117758 /nfs/dbraw/zinc/11/77/58/601117758.db2.gz BTYYHBFQLOVAAT-UHFFFAOYSA-N -3 0 385.781 2.546 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cccc(NC(=O)C2CC2)c1 ZINC000831946297 601151391 /nfs/dbraw/zinc/15/13/91/601151391.db2.gz SLYGPVBVFOOSLD-UHFFFAOYSA-N -2 0 396.446 2.604 20 0 GFADRL O=C([O-])c1cc(Br)ccc1S(=O)(=O)[N-]c1n[nH]c2ccccc21 ZINC000833295931 601201417 /nfs/dbraw/zinc/20/14/17/601201417.db2.gz MHYCPCOVPAHSJB-UHFFFAOYSA-N -2 0 396.222 2.824 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cc(C)ccc1NC(C)=O ZINC000831946915 601204384 /nfs/dbraw/zinc/20/43/84/601204384.db2.gz ZVKYFNJQCRWAJS-UHFFFAOYSA-N -2 0 384.435 2.523 20 0 GFADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc([S@](=O)C(F)(F)F)cc2)c1 ZINC000748672088 601250620 /nfs/dbraw/zinc/25/06/20/601250620.db2.gz CCKLVYYDQGEVIU-QHCPKHFHSA-N -2 0 399.393 2.875 20 0 GFADRL COc1cc(/C=C\C(=O)[O-])cc(S(=O)(=O)[N-]c2cc(C)ccc2O)c1OC ZINC000831972857 601251941 /nfs/dbraw/zinc/25/19/41/601251941.db2.gz SZGSZOBFPFDKGI-ALCCZGGFSA-N -2 0 393.417 2.616 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2N2CCCC2=O)c1C ZINC000013032196 601319196 /nfs/dbraw/zinc/31/91/96/601319196.db2.gz SXQIXNLHVZRUIJ-UHFFFAOYSA-N -2 0 388.445 2.929 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(Cl)c2-n2cncn2)ccc1F ZINC000046071292 601321633 /nfs/dbraw/zinc/32/16/33/601321633.db2.gz AADJSHCNAZJIBB-UHFFFAOYSA-N -2 0 396.787 2.559 20 0 GFADRL CC(C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000032602081 601321933 /nfs/dbraw/zinc/32/19/33/601321933.db2.gz PTRLZPLWXMQMCR-FMIVXFBMSA-N -2 0 388.445 2.723 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(N)=O)c1C ZINC000067874478 601327295 /nfs/dbraw/zinc/32/72/95/601327295.db2.gz CQTHFFDWQCKVEO-UHFFFAOYSA-N -2 0 382.825 2.555 20 0 GFADRL CC(C)c1nc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2OC(F)F)c[nH]1 ZINC000827152797 601331339 /nfs/dbraw/zinc/33/13/39/601331339.db2.gz KJZFRGJDXUNTES-UHFFFAOYSA-N -2 0 375.353 2.634 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1OC(F)F ZINC000460813828 601332691 /nfs/dbraw/zinc/33/26/91/601332691.db2.gz GUXPQUMWFJEWSW-UHFFFAOYSA-N -2 0 391.323 2.935 20 0 GFADRL C/C(=C\COC(=O)Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1)C(=O)[O-] ZINC000825769265 601414472 /nfs/dbraw/zinc/41/44/72/601414472.db2.gz MLUOBERVNCLETK-XYOKQWHBSA-N -2 0 395.458 2.666 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(-c2ccccc2F)c1 ZINC000371896161 601491883 /nfs/dbraw/zinc/49/18/83/601491883.db2.gz PBTZIXOMYDRSSV-UHFFFAOYSA-N -2 0 391.380 2.519 20 0 GFADRL COC(=O)c1ccc([N-]S(=O)(=O)c2cc3ccccc3o2)cc1C(=O)[O-] ZINC000831434840 601557810 /nfs/dbraw/zinc/55/78/10/601557810.db2.gz GJNXQPBISOMIHH-UHFFFAOYSA-N -2 0 375.358 2.718 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2cc(-c3ccc(C)s3)[nH]n2)cc1C(=O)[O-] ZINC000444419923 601605233 /nfs/dbraw/zinc/60/52/33/601605233.db2.gz QILIHCHYDNIXLZ-UHFFFAOYSA-N -2 0 393.446 2.954 20 0 GFADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1nc2ccc(Cl)cc2s1 ZINC000833346346 601767820 /nfs/dbraw/zinc/76/78/20/601767820.db2.gz OARBXBRTYKCJCL-UHFFFAOYSA-N -2 0 375.840 2.905 20 0 GFADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2cnc3ccsc3c2)c1OC ZINC000484952100 601782752 /nfs/dbraw/zinc/78/27/52/601782752.db2.gz KDTXJWGWICNJFG-UHFFFAOYSA-N -2 0 394.430 2.813 20 0 GFADRL CC(C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000032602026 601827175 /nfs/dbraw/zinc/82/71/75/601827175.db2.gz QMPFAGZQLVGWAO-UHFFFAOYSA-N -2 0 396.852 2.977 20 0 GFADRL COc1ccc(NC(C)=O)c([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000832408273 601829332 /nfs/dbraw/zinc/82/93/32/601829332.db2.gz RYUGWKMMBSRXDH-UHFFFAOYSA-N -2 0 398.824 2.806 20 0 GFADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2cc(C)c(F)cc2F)c1OC ZINC000484966672 601830698 /nfs/dbraw/zinc/83/06/98/601830698.db2.gz DOFCZVIWCZKIEE-UHFFFAOYSA-N -2 0 387.360 2.789 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnc(-c3ccccc3)nc2)cc(F)c1F ZINC000833306263 601832638 /nfs/dbraw/zinc/83/26/38/601832638.db2.gz KYHZQSUNJDJRTQ-UHFFFAOYSA-N -2 0 391.355 2.921 20 0 GFADRL CC(C)n1ncc2cc([N-]S(=O)(=O)c3ccc(Cl)nc3C(=O)[O-])cnc21 ZINC000827201639 601834573 /nfs/dbraw/zinc/83/45/73/601834573.db2.gz ZYZMOPVFURPDIH-UHFFFAOYSA-N -2 0 395.828 2.560 20 0 GFADRL Cc1cccc(Cn2nccc2[N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])c1 ZINC000832969125 601847732 /nfs/dbraw/zinc/84/77/32/601847732.db2.gz HSLKGBGNEFLHNN-UHFFFAOYSA-N -2 0 389.408 2.878 20 0 GFADRL O=C([O-])c1c[nH]c2cc(NS(=O)(=O)c3cccc(F)c3C(=O)[O-])ccc12 ZINC000833294553 601861581 /nfs/dbraw/zinc/86/15/81/601861581.db2.gz JRDPQCRHDANVAX-UHFFFAOYSA-N -2 0 378.337 2.504 20 0 GFADRL CC(C)(C(=O)[O-])c1ccc(NS(=O)(=O)c2cccc(F)c2C(=O)[O-])cc1 ZINC000826127539 601862390 /nfs/dbraw/zinc/86/23/90/601862390.db2.gz XLNFVCPRONSABN-UHFFFAOYSA-N -2 0 381.381 2.687 20 0 GFADRL CCn1c(=O)c2ccc(C(=O)Nc3ccc(C(=O)[O-])c(F)c3)cc2[n-]c1=S ZINC000830411097 601877236 /nfs/dbraw/zinc/87/72/36/601877236.db2.gz AZLZUJZDEDLGRF-UHFFFAOYSA-N -2 0 387.392 2.795 20 0 GFADRL CSc1ccc(S(=O)(=O)[N-]c2nc3c(s2)CN(C(=O)[O-])CC3)cc1 ZINC000740024180 601976694 /nfs/dbraw/zinc/97/66/94/601976694.db2.gz XXPLYZLQPXSHLR-UHFFFAOYSA-N -2 0 385.492 2.702 20 0 GFADRL O=C([O-])CCCc1nnc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)s1 ZINC000833232530 602105543 /nfs/dbraw/zinc/10/55/43/602105543.db2.gz ZARASTHLTBRULF-UHFFFAOYSA-N -2 0 395.384 2.765 20 0 GFADRL O=C([O-])CCCc1nnc([N-]S(=O)(=O)c2cccc3ccccc32)s1 ZINC000833231792 602105681 /nfs/dbraw/zinc/10/56/81/602105681.db2.gz ACIDBYTZEPTOIA-UHFFFAOYSA-N -2 0 377.447 2.899 20 0 GFADRL O=C([O-])c1ccc(CS(=O)(=O)[N-][C@H](Cc2ccccc2)C(F)(F)F)cc1 ZINC000833316642 602214862 /nfs/dbraw/zinc/21/48/62/602214862.db2.gz IDNSGNLXNROOEW-OAHLLOKOSA-N -2 0 387.379 2.978 20 0 GFADRL Cc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])cc1C(=O)[O-] ZINC000740063405 602245812 /nfs/dbraw/zinc/24/58/12/602245812.db2.gz IJSVZISOHHIORN-UHFFFAOYSA-N -2 0 390.417 2.843 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])c1C ZINC000740059696 602245909 /nfs/dbraw/zinc/24/59/09/602245909.db2.gz IZRQMXKFNZMHCJ-UHFFFAOYSA-N -2 0 390.417 2.843 20 0 GFADRL COc1ccc(NC(=O)CC2(C(=O)[O-])Cc3ccccc3C2)cc1NC(=O)[O-] ZINC000739921150 602294630 /nfs/dbraw/zinc/29/46/30/602294630.db2.gz PLJJOJRQRMMCHO-UHFFFAOYSA-N -2 0 384.388 2.984 20 0 GFADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccccc2OCC(F)F)c1 ZINC000761908892 602321232 /nfs/dbraw/zinc/32/12/32/602321232.db2.gz ZJWUZZPJFMJUFX-UHFFFAOYSA-N -2 0 375.324 2.969 20 0 GFADRL O=C([O-])N1CCc2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3F)cc2C1 ZINC000740529702 602490931 /nfs/dbraw/zinc/49/09/31/602490931.db2.gz IIOVLMFRFTXNGN-UHFFFAOYSA-N -2 0 386.351 2.941 20 0 GFADRL C[C@@H](C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823712141 602822171 /nfs/dbraw/zinc/82/21/71/602822171.db2.gz GRFYSWXBMAUUGK-ABAIWWIYSA-N -2 0 382.376 2.613 20 0 GFADRL CCc1ccccc1-n1cc([O-])c(C(=O)N2CCC(CN(C)C(=O)[O-])CC2)n1 ZINC000827600345 603838935 /nfs/dbraw/zinc/83/89/35/603838935.db2.gz NZXORBFCKKAZKA-UHFFFAOYSA-N -2 0 386.452 2.602 20 0 GFADRL CCc1ccccc1-n1cc([O-])c(C(=O)N2CCC([C@@H](C)NC(=O)[O-])CC2)n1 ZINC000827599607 603839090 /nfs/dbraw/zinc/83/90/90/603839090.db2.gz HSROWMWVIXEEIL-CYBMUJFWSA-N -2 0 386.452 2.649 20 0 GFADRL C[C@@H](CN(C)C(=O)[O-])C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000824880041 604131538 /nfs/dbraw/zinc/13/15/38/604131538.db2.gz CSHPMYFYRGPJEQ-ZDUSSCGKSA-N -2 0 391.449 2.672 20 0 GFADRL O=C([O-])CCCN(Cc1ccccc1)C(=O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000833226634 604353395 /nfs/dbraw/zinc/35/33/95/604353395.db2.gz MKPWIRCQHUTPNY-UHFFFAOYSA-N -2 0 381.388 2.537 20 0 GFADRL O=C([O-])CCCN(Cc1ccccc1)C(=O)CSc1n[n-]c(=S)s1 ZINC000833226695 604372386 /nfs/dbraw/zinc/37/23/86/604372386.db2.gz WCULAOXDWCGEMJ-UHFFFAOYSA-N -2 0 383.520 2.813 20 0 GFADRL C[C@H](CC(=O)[N-]S(=O)(=O)/C=C\c1ccccc1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824679952 604394397 /nfs/dbraw/zinc/39/43/97/604394397.db2.gz POZDKRFDXRIHDD-PYPCHCLXSA-N -2 0 380.466 2.520 20 0 GFADRL C[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824680290 604394441 /nfs/dbraw/zinc/39/44/41/604394441.db2.gz TXAYVAHBHCQJDE-VXGBXAGGSA-N -2 0 388.873 2.561 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@@H](C)[C@H]2CCCN(C(=O)[O-])C2)cc1C ZINC000830414844 604394626 /nfs/dbraw/zinc/39/46/26/604394626.db2.gz NUCHECFTEARDOP-CABCVRRESA-N -2 0 382.482 2.525 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@H](C)[C@H]2CCCN(C(=O)[O-])C2)cc1C ZINC000830414848 604394827 /nfs/dbraw/zinc/39/48/27/604394827.db2.gz NUCHECFTEARDOP-GJZGRUSLSA-N -2 0 382.482 2.525 20 0 GFADRL O=C([O-])C[C@@H]1CCCN1C(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000263049714 604595843 /nfs/dbraw/zinc/59/58/43/604595843.db2.gz WJMZIMCAMNVBMZ-AWEZNQCLSA-N -2 0 394.474 2.628 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC)c2ncccc12 ZINC000832204148 604621717 /nfs/dbraw/zinc/62/17/17/604621717.db2.gz GHSGUUVCXHFWAC-UHFFFAOYSA-N -2 0 388.401 2.751 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2)c(OC)c1C(=O)[O-] ZINC000833734470 604862073 /nfs/dbraw/zinc/86/20/73/604862073.db2.gz GKYFRDARRIGEPN-UHFFFAOYSA-N -2 0 389.788 2.995 20 0 GFADRL CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)c1 ZINC000747777065 604924004 /nfs/dbraw/zinc/92/40/04/604924004.db2.gz CKFFWCADPHJCOI-UHFFFAOYSA-N -2 0 382.825 2.541 20 0 GFADRL CCc1nn(C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000322608983 605006629 /nfs/dbraw/zinc/00/66/29/605006629.db2.gz SAHASVSJUGOEGF-UHFFFAOYSA-N -2 0 378.237 2.788 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2ccccc2S(=O)(=O)C(C)C)cc1C(=O)[O-] ZINC000833750857 605053810 /nfs/dbraw/zinc/05/38/10/605053810.db2.gz DCHDJPPKKXMQDC-UHFFFAOYSA-N -2 0 397.474 2.676 20 0 GFADRL O=C([O-])C1CCC(C(=O)[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CC1 ZINC000833772276 605118314 /nfs/dbraw/zinc/11/83/14/605118314.db2.gz ODOWHOYDQGMGQK-UHFFFAOYSA-N -2 0 397.346 2.540 20 0 GFADRL C[C@@H]1CCCCN1C(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cc1 ZINC000833610930 605185383 /nfs/dbraw/zinc/18/53/83/605185383.db2.gz HGTOOVNKGFMWOO-GFCCVEGCSA-N -2 0 392.433 2.793 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2csnc2C(=O)[O-])cnc1N1CCCC[C@H]1C ZINC000833746721 605586504 /nfs/dbraw/zinc/58/65/04/605586504.db2.gz GZFDATIXIHJRIJ-LLVKDONJSA-N -2 0 396.494 2.724 20 0 GFADRL CC(C)(CC(=O)[O-])NC(=O)c1cc(Br)c([O-])c(Br)c1 ZINC000833456512 605757054 /nfs/dbraw/zinc/75/70/54/605757054.db2.gz YPYGKTNRZDGNFW-UHFFFAOYSA-N -2 0 395.047 2.900 20 0 GFADRL C[C@H](c1ccc(Cl)cc1Cl)S(=O)(=O)[N-]C(=O)c1cc(C(=O)[O-])no1 ZINC000833548571 605908244 /nfs/dbraw/zinc/90/82/44/605908244.db2.gz PDKKVBZCTIPISH-ZCFIWIBFSA-N -2 0 393.204 2.500 20 0 GFADRL O=C([O-])c1ccc2[nH]c3c(c2c1)CN(C(=O)CC1CCN(C(=O)[O-])CC1)CC3 ZINC000834283703 606057982 /nfs/dbraw/zinc/05/79/82/606057982.db2.gz UFNZXXPPYOARSW-UHFFFAOYSA-N -2 0 385.420 2.531 20 0 GFADRL O=C([O-])[C@H](CNC(=O)C1CCN(C(=O)[O-])CC1)Cc1ccc2ccccc2c1 ZINC000834060442 606062162 /nfs/dbraw/zinc/06/21/62/606062162.db2.gz ZGRURRSFZNNOTF-SFHVURJKSA-N -2 0 384.432 2.589 20 0 GFADRL O=C([O-])COc1ccc(CCNC(=O)c2ccc(NC(=O)[O-])cc2Cl)cc1 ZINC000834067257 606065059 /nfs/dbraw/zinc/06/50/59/606065059.db2.gz YZIHMLQFEQOZNI-UHFFFAOYSA-N -2 0 392.795 2.866 20 0 GFADRL COc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Br)c1 ZINC000013264821 654503704 /nfs/dbraw/zinc/50/37/04/654503704.db2.gz PHIBLNLYHIHIBL-UHFFFAOYSA-N -2 0 386.223 2.957 20 0 GFADRL CN(C)C(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000032090595 654599799 /nfs/dbraw/zinc/59/97/99/654599799.db2.gz BWMNNHDUQIBXHW-UHFFFAOYSA-N -2 0 382.825 2.541 20 0 GFADRL CC(=O)Nc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)ccc1F ZINC000042676994 654642376 /nfs/dbraw/zinc/64/23/76/654642376.db2.gz CPMGZVMARRRSTI-UHFFFAOYSA-N -2 0 386.788 2.937 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2cccc(Cn3cccn3)c2)sc1C(=O)[O-] ZINC000042791583 654644758 /nfs/dbraw/zinc/64/47/58/654644758.db2.gz ULSGMMCZFVZZBB-UHFFFAOYSA-N -2 0 377.447 2.800 20 0 GFADRL CC(=O)N(C)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000065833384 654888703 /nfs/dbraw/zinc/88/87/03/654888703.db2.gz HAZZYQJDVUNONX-UHFFFAOYSA-N -2 0 382.825 2.822 20 0 GFADRL CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c1 ZINC000067124346 654930849 /nfs/dbraw/zinc/93/08/49/654930849.db2.gz PXVMORWBXSAOOW-UHFFFAOYSA-N -2 0 383.451 2.697 20 0 GFADRL Cc1c(Br)cc(S(=O)(=O)[N-]c2ccc(F)nc2)cc1C(=O)[O-] ZINC000318393079 655381080 /nfs/dbraw/zinc/38/10/80/655381080.db2.gz MNVGULPPBJUBPU-UHFFFAOYSA-N -2 0 389.202 2.791 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2cccc(C[S@@](C)=O)c2C)sc1C(=O)[O-] ZINC000265287082 655480460 /nfs/dbraw/zinc/48/04/60/655480460.db2.gz UCEBJCRCIPHFCY-HSZRJFAPSA-N -2 0 387.504 2.742 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)c1Cl ZINC000753774898 655858366 /nfs/dbraw/zinc/85/83/66/655858366.db2.gz IYQHNXCIINOXJG-UHFFFAOYSA-N -3 0 385.781 2.551 20 0 GFADRL COc1ccc(OC)c([N-]S(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)c1 ZINC000767736795 656217695 /nfs/dbraw/zinc/21/76/95/656217695.db2.gz QCCOTIMEOLNPMS-UHFFFAOYSA-N -2 0 389.788 2.995 20 0 GFADRL CC(C)C[C@H](C[N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)CC(=O)[O-] ZINC000776551547 656755890 /nfs/dbraw/zinc/75/58/90/656755890.db2.gz SRXMDKQRMZRZEQ-ZETCQYMHSA-N -2 0 389.342 2.797 20 0 GFADRL Cc1onc(OC(F)F)c1[N-]S(=O)(=O)c1cc(C)c(F)c(C(=O)[O-])c1 ZINC000788132647 657656044 /nfs/dbraw/zinc/65/60/44/657656044.db2.gz RBWYMFITHFVLEZ-UHFFFAOYSA-N -2 0 380.300 2.531 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(N3CCC3=O)c2)c(Cl)c1 ZINC000790350907 657957392 /nfs/dbraw/zinc/95/73/92/657957392.db2.gz MYEHLSKTIAUMNF-UHFFFAOYSA-N -2 0 380.809 2.576 20 0 GFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc3c[nH]nc3c2)cc1C(=O)[O-] ZINC000790381995 657965232 /nfs/dbraw/zinc/96/52/32/657965232.db2.gz HJOAMLCSROIYEC-UHFFFAOYSA-N -2 0 381.797 2.724 20 0 GFADRL CCOc1ncccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(OC)cc1Cl ZINC000790394941 657968155 /nfs/dbraw/zinc/96/81/55/657968155.db2.gz YNCASNMISYMLHF-UHFFFAOYSA-N -2 0 386.813 2.641 20 0 GFADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(OC)cc2Cl)ccc1F ZINC000790403612 657969692 /nfs/dbraw/zinc/96/96/92/657969692.db2.gz MPXSXVGQJRCIEO-UHFFFAOYSA-N -2 0 389.788 2.995 20 0 GFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)cc1O ZINC000800837756 659335989 /nfs/dbraw/zinc/33/59/89/659335989.db2.gz XMKMIOLHPVPAJL-UHFFFAOYSA-N -2 0 381.793 2.674 20 0 GFADRL C[C@@H](c1ccc(Cl)cc1Cl)S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C1CC1 ZINC000863957679 662351148 /nfs/dbraw/zinc/35/11/48/662351148.db2.gz SBEXTLFNLLDQHD-MADCSZMMSA-N -2 0 380.249 2.611 20 0 GFADRL Cc1ccc(Cl)c(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)c1Cl ZINC000863961188 662351225 /nfs/dbraw/zinc/35/12/25/662351225.db2.gz KMNHTASUDJOHOG-BDAKNGLRSA-N -2 0 380.249 2.608 20 0 GFADRL C[C@H](c1ccc(Cl)cc1Cl)S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C1CC1 ZINC000863957678 662351250 /nfs/dbraw/zinc/35/12/50/662351250.db2.gz SBEXTLFNLLDQHD-KRTXAFLBSA-N -2 0 380.249 2.611 20 0 GFADRL O=C([O-])C1(CCCC[N-]S(=O)(=O)c2occc2Br)CCC1 ZINC000899953132 663704229 /nfs/dbraw/zinc/70/42/29/663704229.db2.gz AGTUWUMXPOLZDG-UHFFFAOYSA-N -2 0 380.260 2.746 20 0 GFADRL O=C([O-])c1cc(Br)cc([N-]S(=O)(=O)c2c[nH]c3ncccc23)c1 ZINC000155534999 551501997 /nfs/dbraw/zinc/50/19/97/551501997.db2.gz AKNLCVWTTQEMEE-UHFFFAOYSA-N -2 0 396.222 2.824 20 0 GFADRL Cc1noc(C)c1S(=O)(=O)[N-]c1cc(Br)cc(C(=O)[O-])c1 ZINC000166575836 551632065 /nfs/dbraw/zinc/63/20/65/551632065.db2.gz CCGDGLNHQRANOZ-UHFFFAOYSA-N -2 0 375.200 2.553 20 0 GFADRL Cc1cc(Br)c(F)cc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000184151417 552328601 /nfs/dbraw/zinc/32/86/01/552328601.db2.gz HYJVHJCAAIQIAE-UHFFFAOYSA-N -2 0 377.191 2.724 20 0 GFADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)C[C@H]2CCCC2(F)F)c1OC ZINC000296916087 563308148 /nfs/dbraw/zinc/30/81/48/563308148.db2.gz KKNNYLNIVYLXKK-SNVBAGLBSA-N -2 0 379.381 2.579 20 0 GFADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(OC[C@@H]3CCCO3)cc2)c1 ZINC000298836441 563367945 /nfs/dbraw/zinc/36/79/45/563367945.db2.gz CYGDISOZZNRTKM-AWEZNQCLSA-N -2 0 383.447 2.805 20 0 GFADRL CCn1ncc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c1C(F)(F)F ZINC000410407312 563589920 /nfs/dbraw/zinc/58/99/20/563589920.db2.gz XQORGYPOEZPGLM-UHFFFAOYSA-N -2 0 381.307 2.560 20 0 GFADRL O=C([O-])c1ccc(O)c(S(=O)(=O)[N-]c2ccc(CC(F)(F)F)cc2)c1 ZINC000436993989 563687523 /nfs/dbraw/zinc/68/75/23/563687523.db2.gz JRLYOTAJMMHOIR-UHFFFAOYSA-N -2 0 375.324 2.996 20 0 GFADRL NC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000438801461 563711149 /nfs/dbraw/zinc/71/11/49/563711149.db2.gz MLUZMOJXYDYFFT-UHFFFAOYSA-N -2 0 389.216 2.591 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2ccc(SC)cc2OC)cc1C(=O)[O-] ZINC000446635463 563866719 /nfs/dbraw/zinc/86/67/19/563866719.db2.gz WFZZLLYQABFOPT-UHFFFAOYSA-N -2 0 383.447 2.925 20 0 GFADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2cc(-c3cccc(F)c3F)[nH]n2)c1 ZINC000471115488 564185943 /nfs/dbraw/zinc/18/59/43/564185943.db2.gz HYPRAAFQEBXAPN-UHFFFAOYSA-N -2 0 385.373 2.915 20 0 GFADRL COCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000506659340 564208380 /nfs/dbraw/zinc/20/83/80/564208380.db2.gz CUGMQXOERQZPOK-UHFFFAOYSA-N -2 0 385.825 2.994 20 0 GFADRL CCc1ccc([N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)c(C(=O)[O-])c1 ZINC000451010927 564263332 /nfs/dbraw/zinc/26/33/32/564263332.db2.gz RMHSUUHJPYFMOB-UHFFFAOYSA-N -2 0 377.344 2.500 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)c(C(=O)[O-])cc1C ZINC000451046686 564266772 /nfs/dbraw/zinc/26/67/72/564266772.db2.gz PVGRKIFIHMFANQ-UHFFFAOYSA-N -2 0 377.344 2.555 20 0 GFADRL COC(=O)c1csc(S(=O)(=O)[N-]c2ccc(C[C@H](C)C(=O)[O-])cc2)c1 ZINC000543653208 564357249 /nfs/dbraw/zinc/35/72/49/564357249.db2.gz SJGMUSOSCUHCKO-JTQLQIEISA-N -2 0 383.447 2.599 20 0 GFADRL O=C([O-])C[C@@H](CC[N-]S(=O)(=O)c1cc(Cl)ccc1F)C(F)(F)F ZINC000567739905 564386166 /nfs/dbraw/zinc/38/61/66/564386166.db2.gz GAGQVQPUWLQJTJ-SSDOTTSWSA-N -2 0 377.743 2.801 20 0 GFADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)[O-])c1 ZINC000544641847 564392018 /nfs/dbraw/zinc/39/20/18/564392018.db2.gz PZGLDDJBHWKHDZ-UHFFFAOYSA-N -3 0 387.772 2.985 20 0 GFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)c(O)c1 ZINC000479206329 564431179 /nfs/dbraw/zinc/43/11/79/564431179.db2.gz HDAATERNOTXYID-UHFFFAOYSA-N -2 0 375.324 2.996 20 0 GFADRL COC(=O)c1coc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)c(C(=O)[O-])c2)c1 ZINC000513814171 564439506 /nfs/dbraw/zinc/43/95/06/564439506.db2.gz SZJVQXXJXWZGSY-UHFFFAOYSA-N -2 0 394.188 2.872 20 0 GFADRL COCCOc1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(Cl)c1 ZINC000546535554 564457834 /nfs/dbraw/zinc/45/78/34/564457834.db2.gz SBJUMZDFATZLMG-UHFFFAOYSA-N -2 0 385.825 2.864 20 0 GFADRL CCc1ccc([N-]S(=O)(=O)c2ccc(CC(=O)OC)s2)c(C(=O)[O-])c1 ZINC000547547862 564493633 /nfs/dbraw/zinc/49/36/33/564493633.db2.gz CSNOARFZYPWZIF-UHFFFAOYSA-N -2 0 383.447 2.525 20 0 GFADRL COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C)cc1C(=O)[O-] ZINC000547865767 564514048 /nfs/dbraw/zinc/51/40/48/564514048.db2.gz YGXJDLMMURXFSB-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL CC(C)C[C@@H]([N-]S(=O)(=O)c1cc(F)c(Br)cc1F)C(=O)[O-] ZINC000547881166 564516330 /nfs/dbraw/zinc/51/63/30/564516330.db2.gz HCVACBDPONAJPQ-SNVBAGLBSA-N -2 0 386.214 2.505 20 0 GFADRL C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2cc(Cl)cc(Br)c2[O-])C1 ZINC000571680366 564562058 /nfs/dbraw/zinc/56/20/58/564562058.db2.gz VIQTWYDXEWARGA-HTQZYQBOSA-N -2 0 376.634 2.991 20 0 GFADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@@H](C(=O)[O-])c1c(Cl)cccc1Cl ZINC000548592244 564565218 /nfs/dbraw/zinc/56/52/18/564565218.db2.gz AWIFGEOXZHIQIX-SSDLBLMSSA-N -2 0 380.171 2.989 20 0 GFADRL COc1cc([N-]S(=O)(=O)c2cn(C)c(C(C)C)n2)c(Cl)cc1C(=O)[O-] ZINC000519868189 564593999 /nfs/dbraw/zinc/59/39/99/564593999.db2.gz XJWOJSHFERNOEQ-UHFFFAOYSA-N -2 0 387.845 2.705 20 0 GFADRL Cc1cnn(-c2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)cc2F)c1 ZINC000522882128 564658329 /nfs/dbraw/zinc/65/83/29/564658329.db2.gz HQWHUZXMKOJCAX-UHFFFAOYSA-N -2 0 381.410 2.880 20 0 GFADRL CC(=O)N(C)c1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000489731265 564750660 /nfs/dbraw/zinc/75/06/60/564750660.db2.gz ATJQMAZIRIKIIY-UHFFFAOYSA-N -2 0 382.825 2.822 20 0 GFADRL COC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)cc1Cl ZINC000554775528 564773878 /nfs/dbraw/zinc/77/38/78/564773878.db2.gz DHGZNPMDHLQYKY-UHFFFAOYSA-N -2 0 389.838 2.996 20 0 GFADRL CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1)C(=O)[O-] ZINC000463775331 564889694 /nfs/dbraw/zinc/88/96/94/564889694.db2.gz BHKUZDIXDWLXSL-NSHDSACASA-N -3 0 383.447 2.900 20 0 GFADRL CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(F)c(F)c([O-])c2F)c1 ZINC000498618143 564904616 /nfs/dbraw/zinc/90/46/16/564904616.db2.gz MFZTUTSPIOMKLL-UHFFFAOYSA-N -2 0 375.324 2.561 20 0 GFADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(Br)cc1O ZINC000532163752 564930913 /nfs/dbraw/zinc/93/09/13/564930913.db2.gz PIAVJEZLMNZHOW-UHFFFAOYSA-N -2 0 386.223 2.962 20 0 GFADRL COc1cc(OC)c([N-]S(=O)(=O)c2cc(F)ccc2Cl)c(C(=O)[O-])c1 ZINC000590695251 565197641 /nfs/dbraw/zinc/19/76/41/565197641.db2.gz DVXHPRZNGMWEPN-UHFFFAOYSA-N -2 0 389.788 2.995 20 0 GFADRL Nc1ncc(Cl)cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000677233139 565965234 /nfs/dbraw/zinc/96/52/34/565965234.db2.gz DTEGYVLXYNFJQZ-UHFFFAOYSA-N -2 0 395.746 2.835 20 0 GFADRL Nc1ncc(Cl)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000677234685 565965682 /nfs/dbraw/zinc/96/56/82/565965682.db2.gz CQSCZLSPSVEIED-UHFFFAOYSA-N -2 0 395.746 2.835 20 0 GFADRL CC(C)[C@H](CNC(=O)N=c1[n-]nc(-c2c(F)cccc2Cl)s1)C(=O)[O-] ZINC000653543292 565971499 /nfs/dbraw/zinc/97/14/99/565971499.db2.gz JHBOXRSYRIROIR-QMMMGPOBSA-N -2 0 386.836 2.898 20 0 GFADRL CCc1ccc(S(=O)(=O)[N-]c2scc(C(=O)OC)c2C)cc1C(=O)[O-] ZINC000611443863 566130394 /nfs/dbraw/zinc/13/03/94/566130394.db2.gz BTVQYMVVFJOHPH-UHFFFAOYSA-N -2 0 383.447 2.905 20 0 GFADRL C[C@@H]1CCc2c(=O)n(-c3ccc(S(=O)(=O)[N-]c4nccs4)cc3)[n-]c21 ZINC000634617133 566160529 /nfs/dbraw/zinc/16/05/29/566160529.db2.gz GUYHVJOLTFMACC-ZWNOBZJWSA-N -2 0 376.463 2.693 20 0 GFADRL COc1cc(C(F)(F)F)ncc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000682871763 566174125 /nfs/dbraw/zinc/17/41/25/566174125.db2.gz HYSTUGAXOBMLHI-UHFFFAOYSA-N -2 0 376.312 2.608 20 0 GFADRL Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)c1Cl ZINC000738399334 599739309 /nfs/dbraw/zinc/73/93/09/599739309.db2.gz MOPQFDUKQFFHJA-UHFFFAOYSA-N -2 0 378.237 2.692 20 0 GFADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)Cc1c[nH]c2cc(Cl)ccc12 ZINC000739339166 599793654 /nfs/dbraw/zinc/79/36/54/599793654.db2.gz QSTDTBQUEUUAPK-UHFFFAOYSA-N -2 0 398.849 2.629 20 0 GFADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)C[C@@H]1CCCc2ccccc21 ZINC000739222427 599884289 /nfs/dbraw/zinc/88/42/89/599884289.db2.gz LZFJTCAAVLJAJN-LBPRGKRZSA-N -2 0 379.459 2.761 20 0 GFADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccc3c(c2)CCCC(=O)N3)c1 ZINC000377907690 599926489 /nfs/dbraw/zinc/92/64/89/599926489.db2.gz HMMWBRCJDPGTEN-UHFFFAOYSA-N -2 0 378.381 2.600 20 0 GFADRL COc1cc2nc(C)sc2cc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000737908628 599926759 /nfs/dbraw/zinc/92/67/59/599926759.db2.gz FYFZDJUZSBSQER-UHFFFAOYSA-N -2 0 394.430 2.818 20 0 GFADRL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc([C@H](C)OC)c1 ZINC000737717660 599981387 /nfs/dbraw/zinc/98/13/87/599981387.db2.gz NIVAFZVJEUEPLF-VIFPVBQESA-N -2 0 399.446 2.741 20 0 GFADRL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc([C@@H](C)OC)c1 ZINC000737717658 599981791 /nfs/dbraw/zinc/98/17/91/599981791.db2.gz NIVAFZVJEUEPLF-SECBINFHSA-N -2 0 399.446 2.741 20 0 GFADRL CC[C@@H](C)N1C(=O)N[C@@H](c2ccc(OCCC(=O)[O-])cc2)C(C(=O)[O-])=C1C ZINC000736885000 599984753 /nfs/dbraw/zinc/98/47/53/599984753.db2.gz UGLLOEJFVGCDSJ-DIFFPNOSSA-N -2 0 376.409 2.764 20 0 GFADRL CC1=C(C(=O)[O-])[C@H](c2cnn(C(C)(C)C)c2)NC(=O)N1CCCCCC(=O)[O-] ZINC000736751849 599987683 /nfs/dbraw/zinc/98/76/83/599987683.db2.gz UAMFEJHWHPFVMZ-INIZCTEOSA-N -2 0 392.456 2.708 20 0 GFADRL CCC1=C(C(=O)[O-])[C@@H](c2ccc(OCCC(=O)[O-])cc2)NC(=O)N1CC1CC1 ZINC000736932757 599988056 /nfs/dbraw/zinc/98/80/56/599988056.db2.gz VPRUMYAZPKTJGE-GOSISDBHSA-N -2 0 388.420 2.765 20 0 GFADRL CCNC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000520222681 600004346 /nfs/dbraw/zinc/00/43/46/600004346.db2.gz VLCSAAGGOVFDOI-UHFFFAOYSA-N -2 0 396.852 2.897 20 0 GFADRL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)c1 ZINC000737939895 600006879 /nfs/dbraw/zinc/00/68/79/600006879.db2.gz MIHBVLPMNYBJRW-UHFFFAOYSA-N -2 0 377.205 2.896 20 0 GFADRL C[C@H](CC(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1)C1CC1 ZINC000736548319 600044478 /nfs/dbraw/zinc/04/44/78/600044478.db2.gz KIDBCPSLTKETBL-MRVPVSSYSA-N -2 0 379.356 2.645 20 0 GFADRL O=C([O-])c1cc(C(F)(F)F)cc(S(=O)(=O)[N-]C(=O)c2cccs2)c1 ZINC000740073936 600045098 /nfs/dbraw/zinc/04/50/98/600045098.db2.gz APXUJDMVUSYQEN-UHFFFAOYSA-N -2 0 379.337 2.584 20 0 GFADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2nc(CN3CCCCC3)cs2)c1 ZINC000740144489 600054325 /nfs/dbraw/zinc/05/43/25/600054325.db2.gz QUSSSWLZLJCZGJ-UHFFFAOYSA-N -2 0 399.469 2.767 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)n(-c2ccc(F)cc2)n1 ZINC000738463689 600054329 /nfs/dbraw/zinc/05/43/29/600054329.db2.gz PPQZULMBVCDMMK-UHFFFAOYSA-N -2 0 393.371 2.958 20 0 GFADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000738291606 600100764 /nfs/dbraw/zinc/10/07/64/600100764.db2.gz VZFMYHOSPWLZKA-UHFFFAOYSA-N -2 0 386.332 2.862 20 0 GFADRL COc1cc(/C=C\C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(Cl)cn2)c1OC ZINC000737873847 600102461 /nfs/dbraw/zinc/10/24/61/600102461.db2.gz SKHRGIDOIQGQLB-UTCJRWHESA-N -2 0 398.824 2.651 20 0 GFADRL O=C([O-])CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)n2)cc1 ZINC000739743928 600179929 /nfs/dbraw/zinc/17/99/29/600179929.db2.gz WSHFFWHRTLKFHT-UHFFFAOYSA-N -2 0 390.339 2.755 20 0 GFADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)c1C(=O)[O-] ZINC000738829996 600229892 /nfs/dbraw/zinc/22/98/92/600229892.db2.gz YNUTYNJQEOPNJL-UHFFFAOYSA-N -2 0 383.735 2.889 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(NC(=O)C3CC3)c2)c(F)cc1F ZINC000740090567 600233350 /nfs/dbraw/zinc/23/33/50/600233350.db2.gz XQDQDZHTWMQHEP-UHFFFAOYSA-N -2 0 396.371 2.812 20 0 GFADRL Cc1nc(-c2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(F)cc3F)cc2)n[nH]1 ZINC000050534944 600234245 /nfs/dbraw/zinc/23/42/45/600234245.db2.gz SRSMNRNDRWACBI-UHFFFAOYSA-N -2 0 394.359 2.557 20 0 GFADRL CN(Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1)C(=O)[O-] ZINC000737485752 600299756 /nfs/dbraw/zinc/29/97/56/600299756.db2.gz DUMOWUAXYMZFBZ-UHFFFAOYSA-N -3 0 398.824 2.949 20 0 GFADRL Cc1cc2occ(CC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c2cc1C(C)C ZINC000738486905 600464316 /nfs/dbraw/zinc/46/43/16/600464316.db2.gz KRZCNJUHZUDLOC-UHFFFAOYSA-N -2 0 381.450 2.718 20 0 GFADRL COc1cc(C(=O)[O-])cc(NC(=O)CC2(C(=O)[O-])Cc3ccccc3C2)c1OC ZINC000831892375 600669574 /nfs/dbraw/zinc/66/95/74/600669574.db2.gz QCWSKESMELGVGF-UHFFFAOYSA-N -2 0 399.399 2.600 20 0 GFADRL Cc1nc([N-]S(=O)(=O)c2ccc(F)c(Br)c2)sc1C(=O)[O-] ZINC000833003715 600670628 /nfs/dbraw/zinc/67/06/28/600670628.db2.gz WIMCSUDHYNVWAU-UHFFFAOYSA-N -2 0 395.231 2.852 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2ccccc2OCC2CC2)cc1C(=O)[O-] ZINC000524855916 600694015 /nfs/dbraw/zinc/69/40/15/600694015.db2.gz AUDQQIDREJXFRQ-UHFFFAOYSA-N -2 0 377.418 2.983 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)ccc1C(=O)N(C)C ZINC000489734352 600694298 /nfs/dbraw/zinc/69/42/98/600694298.db2.gz IGBYOWQNBZTSBK-UHFFFAOYSA-N -2 0 396.852 2.849 20 0 GFADRL Cc1ccc2c(CCC(=O)[N-]S(=O)(=O)c3ccsc3C(=O)[O-])c[nH]c2c1 ZINC000832961009 600801852 /nfs/dbraw/zinc/80/18/52/600801852.db2.gz WDAQVSVRDCFFHD-UHFFFAOYSA-N -2 0 392.458 2.674 20 0 GFADRL COCCCOc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000506707252 600890272 /nfs/dbraw/zinc/89/02/72/600890272.db2.gz NRGPXXCUWJXBAK-UHFFFAOYSA-N -2 0 379.434 2.909 20 0 GFADRL C[C@@H](CCc1ccccc1F)C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000827427312 600937564 /nfs/dbraw/zinc/93/75/64/600937564.db2.gz FDSCMMFNGNHKFW-JTQLQIEISA-N -2 0 385.438 2.659 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2nc3c(cc(F)c(F)c3F)s2)c[nH]1 ZINC000833306103 600975454 /nfs/dbraw/zinc/97/54/54/600975454.db2.gz DQWADMPXHWHLGD-UHFFFAOYSA-N -2 0 377.325 2.541 20 0 GFADRL COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ncc(C(C)C)s2)c1 ZINC000831242598 600984322 /nfs/dbraw/zinc/98/43/22/600984322.db2.gz LERRQVINSVJMQL-UHFFFAOYSA-N -2 0 384.435 2.552 20 0 GFADRL CC(C)(CC(=O)[O-])NC(=O)CCCCCn1c(=O)c2ccccc2[n-]c1=S ZINC000826533098 601083528 /nfs/dbraw/zinc/08/35/28/601083528.db2.gz GYWJEUSPPKMPQQ-UHFFFAOYSA-N -2 0 391.493 2.615 20 0 GFADRL COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cc(Cl)cc(C)c2O)c1 ZINC000737654542 601116393 /nfs/dbraw/zinc/11/63/93/601116393.db2.gz PWQLGCFCBPFFOS-UHFFFAOYSA-N -2 0 399.808 2.640 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccccc1OC(F)F ZINC000831945920 601150364 /nfs/dbraw/zinc/15/03/64/601150364.db2.gz MDJTZMWYYNJEJC-UHFFFAOYSA-N -2 0 379.362 2.857 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc(-n2cccn2)c(F)c1 ZINC000831946657 601203040 /nfs/dbraw/zinc/20/30/40/601203040.db2.gz WFBJLXYKURJPQF-UHFFFAOYSA-N -2 0 397.409 2.581 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)cc1C(=O)[O-] ZINC000833030350 601230755 /nfs/dbraw/zinc/23/07/55/601230755.db2.gz TXPYNZPLHYMXMI-TXEJJXNPSA-N -2 0 394.449 2.701 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC3)cc2C)cc1C(=O)[O-] ZINC000832860552 601232928 /nfs/dbraw/zinc/23/29/28/601232928.db2.gz ADGYDBNIYWKQGE-UHFFFAOYSA-N -2 0 392.433 2.631 20 0 GFADRL O=C([O-])[C@H]1C[C@H](C2CCCCC2)CN1C(=O)CSc1n[n-]c(=S)s1 ZINC000833177516 601292149 /nfs/dbraw/zinc/29/21/49/601292149.db2.gz OZFZIRGDYOIMGM-WDEREUQCSA-N -2 0 387.552 2.801 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)OC(C)(C)O2 ZINC000042792201 601322735 /nfs/dbraw/zinc/32/27/35/601322735.db2.gz FNHHSXPBFLIDFU-UHFFFAOYSA-N -2 0 379.390 2.702 20 0 GFADRL CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)c1 ZINC000042792491 601322937 /nfs/dbraw/zinc/32/29/37/601322937.db2.gz IEVSQHPKMAQWFL-UHFFFAOYSA-N -2 0 392.433 2.851 20 0 GFADRL CCn1cnnc1-c1ccccc1[N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000830435946 601323319 /nfs/dbraw/zinc/32/33/19/601323319.db2.gz TYZNCVZNQJBURX-XFXZXTDPSA-N -2 0 398.444 2.864 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OCC(C)C)nc1 ZINC000523976785 601330968 /nfs/dbraw/zinc/33/09/68/601330968.db2.gz AHKSEJJZQAULFD-UHFFFAOYSA-N -2 0 380.422 2.624 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])ncc1Br ZINC000832899244 601396256 /nfs/dbraw/zinc/39/62/56/601396256.db2.gz GOXNJOJTZRLEFQ-UHFFFAOYSA-N -2 0 389.202 2.791 20 0 GFADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2nnc(Cc3cccc(F)c3)s2)c1 ZINC000833333506 601504134 /nfs/dbraw/zinc/50/41/34/601504134.db2.gz BKSXBBKWACJTEF-UHFFFAOYSA-N -2 0 393.421 2.767 20 0 GFADRL O=C([O-])C[C@H](NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-])c1ccc(F)cc1 ZINC000833199666 601757169 /nfs/dbraw/zinc/75/71/69/601757169.db2.gz AVGXTYFRBBEAGI-HNNXBMFYSA-N -2 0 387.342 2.802 20 0 GFADRL Cn1cc(NC(=O)c2nn(-c3ccccc3C(F)(F)F)cc2[O-])cc1C(=O)[O-] ZINC000833050839 601761213 /nfs/dbraw/zinc/76/12/13/601761213.db2.gz NJHMPISHAGUQCX-UHFFFAOYSA-N -2 0 394.309 2.886 20 0 GFADRL CC[C@@H](NC(=O)c1nn(-c2ccc(Cl)cc2C(F)(F)F)cc1[O-])C(=O)[O-] ZINC000828982959 601761844 /nfs/dbraw/zinc/76/18/44/601761844.db2.gz LASXPPWWKHEESY-SECBINFHSA-N -2 0 391.733 2.843 20 0 GFADRL CC(=C([O-])c1[nH]c(C)c(C(=O)[O-])c1C)S(=O)(=O)Cc1nc(C)c(C)s1 ZINC000833000561 601766989 /nfs/dbraw/zinc/76/69/89/601766989.db2.gz LRVXSNUKMMGYFP-LLVKDONJSA-N -2 0 384.479 2.589 20 0 GFADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ccc(Oc2ccc(F)cc2)cn1 ZINC000833345599 601768629 /nfs/dbraw/zinc/76/86/29/601768629.db2.gz DWSUPMRQPKCRSZ-UHFFFAOYSA-N -2 0 395.393 2.969 20 0 GFADRL COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1cc(C(=O)[O-])n(C)c1 ZINC000831480203 601784218 /nfs/dbraw/zinc/78/42/18/601784218.db2.gz YXUHFABKKWJMTE-UHFFFAOYSA-N -2 0 394.430 2.525 20 0 GFADRL CC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c1 ZINC000109417675 601829984 /nfs/dbraw/zinc/82/99/84/601829984.db2.gz CXCDUSCPINSLQP-UHFFFAOYSA-N -2 0 386.788 2.937 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(-n3cccn3)nc2)c(Cl)cc1F ZINC000109417270 601832702 /nfs/dbraw/zinc/83/27/02/601832702.db2.gz JTJUKGCPYIZZNV-UHFFFAOYSA-N -2 0 396.787 2.559 20 0 GFADRL CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])ccc1C ZINC000825890757 601835463 /nfs/dbraw/zinc/83/54/63/601835463.db2.gz UYFDJEXKACSBMI-UHFFFAOYSA-N -2 0 383.813 2.501 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2csnc2C(=O)[O-])ccc1N1CCSCC1 ZINC000832900184 601839924 /nfs/dbraw/zinc/83/99/24/601839924.db2.gz RYPONZIYJAMCDI-UHFFFAOYSA-N -2 0 399.519 2.504 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])n(-c2ccc(F)cc2)n1 ZINC000832899415 601847628 /nfs/dbraw/zinc/84/76/28/601847628.db2.gz KINFERHPURACIE-UHFFFAOYSA-N -2 0 393.371 2.958 20 0 GFADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000832868494 601862856 /nfs/dbraw/zinc/86/28/56/601862856.db2.gz NGMOVEYSZSOEBQ-UHFFFAOYSA-N -2 0 378.406 2.604 20 0 GFADRL CCCc1ccc(S(=O)(=O)[N-]c2nc3c(s2)CN(C(=O)[O-])CC3)cc1 ZINC000739374894 601976175 /nfs/dbraw/zinc/97/61/75/601976175.db2.gz SOIWQANQQVXZCG-UHFFFAOYSA-N -2 0 381.479 2.933 20 0 GFADRL CCOc1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000830026721 601989637 /nfs/dbraw/zinc/98/96/37/601989637.db2.gz AOWBENBPLXLLPB-UHFFFAOYSA-N -2 0 390.211 2.940 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2nc(SCc3ccccc3)n[nH]2)cc1 ZINC000833324189 602063581 /nfs/dbraw/zinc/06/35/81/602063581.db2.gz LZHQCOYYVPRQFG-UHFFFAOYSA-N -2 0 390.446 2.596 20 0 GFADRL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1nnc(-c2ccsc2)s1 ZINC000833318602 602103787 /nfs/dbraw/zinc/10/37/87/602103787.db2.gz RPCXCZBIFVDORB-UHFFFAOYSA-N -2 0 385.423 2.905 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2nnc(CCCC(=O)[O-])s2)c(Cl)cc1F ZINC000832904651 602104874 /nfs/dbraw/zinc/10/48/74/602104874.db2.gz WXJYOYMLQCOXRG-UHFFFAOYSA-N -2 0 393.849 2.847 20 0 GFADRL COC(=O)c1csc([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])c1 ZINC000831467276 602115691 /nfs/dbraw/zinc/11/56/91/602115691.db2.gz VABDXSOPNSRQFS-UHFFFAOYSA-N -2 0 375.811 2.687 20 0 GFADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(N3CCCC[C@H]3C)cc2C)c1C(=O)[O-] ZINC000832891219 602175890 /nfs/dbraw/zinc/17/58/90/602175890.db2.gz PAVQRYFBGJUOCY-GFCCVEGCSA-N -2 0 392.481 2.904 20 0 GFADRL COc1cc(OC)c(OC)cc1[N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000832033756 602203321 /nfs/dbraw/zinc/20/33/21/602203321.db2.gz CXVPURONURRIAN-TWGQIWQCSA-N -2 0 393.417 2.611 20 0 GFADRL CCCc1cc([N-]S(=O)(=O)c2ccc(Br)cc2C(=O)[O-])n[nH]1 ZINC000829567042 602306234 /nfs/dbraw/zinc/30/62/34/602306234.db2.gz WJYMIXKXEQEMBX-UHFFFAOYSA-N -2 0 388.243 2.624 20 0 GFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cnn(Cc3ccccc3)c2)cc1F ZINC000533623929 602322024 /nfs/dbraw/zinc/32/20/24/602322024.db2.gz LJNZYYACOYYCIK-UHFFFAOYSA-N -2 0 375.381 2.570 20 0 GFADRL O=C([O-])NCCOc1cccc([N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000740668117 602447700 /nfs/dbraw/zinc/44/77/00/602447700.db2.gz NHXWHZTWSXGANQ-UHFFFAOYSA-N -2 0 376.843 2.849 20 0 GFADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000740278452 602646374 /nfs/dbraw/zinc/64/63/74/602646374.db2.gz BTMXLWPEDJHYNR-UHFFFAOYSA-N -2 0 396.446 2.986 20 0 GFADRL O=C([O-])N[C@@H](CCC(=O)[N-]S(=O)(=O)c1cccc(Cl)c1)c1ccccc1 ZINC000740541154 602670544 /nfs/dbraw/zinc/67/05/44/602670544.db2.gz XOOYWYVGSAWKBW-HNNXBMFYSA-N -2 0 396.852 2.934 20 0 GFADRL CC(=O)N1CCCc2ccc(S(=O)(=O)[N-]c3ccccc3NC(=O)[O-])cc21 ZINC000738524787 602779064 /nfs/dbraw/zinc/77/90/64/602779064.db2.gz QAHXFHCVFJZGAX-UHFFFAOYSA-N -2 0 389.433 2.876 20 0 GFADRL C[C@@H](NC(=O)[O-])c1ccc([N-]S(=O)(=O)c2cccc3c2OCCO3)cc1 ZINC000825449593 603400503 /nfs/dbraw/zinc/40/05/03/603400503.db2.gz UMMXIBKSGNDJFO-LLVKDONJSA-N -2 0 378.406 2.587 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(C)c(NC(=O)[O-])c2)c(C)c1C ZINC000829507543 603453028 /nfs/dbraw/zinc/45/30/28/603453028.db2.gz YYCXPXPNAQGXEK-UHFFFAOYSA-N -2 0 392.433 2.829 20 0 GFADRL COc1ccc(NC(=O)[O-])c(NC(=O)c2cc(=O)n(-c3ccc(C)cc3)[n-]2)c1 ZINC000829469107 603743228 /nfs/dbraw/zinc/74/32/28/603743228.db2.gz BTPRAUCPDLKCGH-UHFFFAOYSA-N -2 0 382.376 2.825 20 0 GFADRL O=C([O-])NCCCOC1CCN(C(=O)c2ccc(Cl)c(Cl)c2[O-])CC1 ZINC000832629383 604117748 /nfs/dbraw/zinc/11/77/48/604117748.db2.gz HOEFOWMWIMFLAJ-UHFFFAOYSA-N -2 0 391.251 2.978 20 0 GFADRL Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1 ZINC000830245848 604208425 /nfs/dbraw/zinc/20/84/25/604208425.db2.gz UCWRFJJHDCFPIV-OCCSQVGLSA-N -2 0 382.482 2.534 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)[C@@H](NC(=O)[O-])c2ccccc2)c(C)c1 ZINC000830413884 604208559 /nfs/dbraw/zinc/20/85/59/604208559.db2.gz BYWDAUOQVMDXFR-WMLDXEAASA-N -2 0 390.461 2.753 20 0 GFADRL Cc1ccc(C(=O)[N-]S(=O)(=O)N2CCCc3ccccc32)cc1NC(=O)[O-] ZINC000830230606 604251774 /nfs/dbraw/zinc/25/17/74/604251774.db2.gz MOPUABIYPGPFAI-UHFFFAOYSA-N -2 0 389.433 2.512 20 0 GFADRL CCc1ccccc1-n1cc([O-])c(C(=O)N2CCC[C@H]([C@H](C)NC(=O)[O-])C2)n1 ZINC000827599273 604298167 /nfs/dbraw/zinc/29/81/67/604298167.db2.gz GPAJJFKUOFAEOR-ZFWWWQNUSA-N -2 0 386.452 2.649 20 0 GFADRL C[C@@H](CC(=O)[N-]S(=O)(=O)/C=C/c1ccccc1)C1CCN(C(=O)[O-])CC1 ZINC000824679712 604383288 /nfs/dbraw/zinc/38/32/88/604383288.db2.gz MZPROOSGGSXMOY-TZIYXEQSSA-N -2 0 380.466 2.520 20 0 GFADRL C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccccc1Cl)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824680456 604394084 /nfs/dbraw/zinc/39/40/84/604394084.db2.gz VZLXDGMAXXNXQQ-RYUDHWBXSA-N -2 0 388.873 2.561 20 0 GFADRL Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)C[C@@H](C)[C@H]2CCCN(C(=O)[O-])C2)c1 ZINC000830276059 604394858 /nfs/dbraw/zinc/39/48/58/604394858.db2.gz ZJRTXKIOAWLOGP-CABCVRRESA-N -2 0 382.482 2.525 20 0 GFADRL C[C@H](CC(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824678943 604416878 /nfs/dbraw/zinc/41/68/78/604416878.db2.gz GYROKDSWUJXRNK-YCPHGPKFSA-N -2 0 382.482 2.610 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccn(-c3ccccc3Cl)n2)ccc1O ZINC000833306222 604634067 /nfs/dbraw/zinc/63/40/67/604634067.db2.gz GWIQKPZEHXJIQS-UHFFFAOYSA-N -2 0 393.808 2.730 20 0 GFADRL Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000832903320 604890220 /nfs/dbraw/zinc/89/02/20/604890220.db2.gz YLTLJVGHWQKXJN-UHFFFAOYSA-N -2 0 388.804 2.549 20 0 GFADRL CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2nn(-c3ccccc3F)cc2[O-])C1 ZINC000833417300 604995755 /nfs/dbraw/zinc/99/57/55/604995755.db2.gz OQBDVTXVBXUPDV-GFCCVEGCSA-N -2 0 375.400 2.680 20 0 GFADRL CCS[C@H](C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1)C(C)C ZINC000833668903 605119523 /nfs/dbraw/zinc/11/95/23/605119523.db2.gz UXLBOHDJIYCCJE-LBPRGKRZSA-N -2 0 379.887 2.621 20 0 GFADRL CC(C)(C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000485299258 605160534 /nfs/dbraw/zinc/16/05/34/605160534.db2.gz RODDQLQZPFOBQG-UHFFFAOYSA-N -2 0 394.424 2.853 20 0 GFADRL CC(C)NC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000833502187 605185319 /nfs/dbraw/zinc/18/53/19/605185319.db2.gz OLNPUDUJCVQYTD-UHFFFAOYSA-N -2 0 386.813 2.570 20 0 GFADRL CC(C)NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)c1 ZINC000833501852 605185486 /nfs/dbraw/zinc/18/54/86/605185486.db2.gz LEOBAHWRSQUUIS-UHFFFAOYSA-N -2 0 386.813 2.570 20 0 GFADRL Cc1cnn(-c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2ccc(Cl)nc2)c1 ZINC000833754296 605190745 /nfs/dbraw/zinc/19/07/45/605190745.db2.gz LCCXOKWRDNCWBT-UHFFFAOYSA-N -2 0 392.824 2.728 20 0 GFADRL C[C@H]1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000833609406 605486418 /nfs/dbraw/zinc/48/64/18/605486418.db2.gz RNTLCIHNWWMELG-UFBFGSQYSA-N -2 0 379.356 2.645 20 0 GFADRL Cc1ccc(C[C@H](C)C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000833748817 605495111 /nfs/dbraw/zinc/49/51/11/605495111.db2.gz UTYDZUGTQCZASA-AWEZNQCLSA-N -2 0 375.446 2.518 20 0 GFADRL O=C([O-])N[C@@H](CCC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])c1ccccc1 ZINC000834137385 606048981 /nfs/dbraw/zinc/04/89/81/606048981.db2.gz LUPXEMFRVKKALY-ROUUACIJSA-N -2 0 382.416 2.814 20 0 GFADRL O=C([O-])Nc1ccccc1CC(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000834275079 606092380 /nfs/dbraw/zinc/09/23/80/606092380.db2.gz YJMRDQZYKKXJRO-UHFFFAOYSA-N -2 0 384.413 2.977 20 0 GFADRL C[C@H](c1ccc(Cl)cc1Cl)S(=O)(=O)[N-]C(=O)CCCNC(=O)[O-] ZINC000833547192 660808434 /nfs/dbraw/zinc/80/84/34/660808434.db2.gz BENDGEJOLKEYEG-MRVPVSSYSA-N -2 0 383.253 2.548 20 0 GFADRL CCOc1ccc(S(=O)(=O)[N-]c2c(C)[nH]nc2C(F)F)cc1C(=O)[O-] ZINC000272367556 655110335 /nfs/dbraw/zinc/11/03/35/655110335.db2.gz ATQQAVBVVSNORG-UHFFFAOYSA-N -2 0 375.353 2.553 20 0 GFADRL Cc1c([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cnc(Cl)c1Br ZINC000758944350 655943808 /nfs/dbraw/zinc/94/38/08/655943808.db2.gz HGILQXJVYDXCLJ-UHFFFAOYSA-N -2 0 394.634 2.633 20 0 GFADRL Cn1ncc([N-]S(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)c1C(F)F ZINC000759103113 655947660 /nfs/dbraw/zinc/94/76/60/655947660.db2.gz PBOBAUCDXXMYBZ-UHFFFAOYSA-N -2 0 383.735 2.649 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)ccc2O)c(Br)s1 ZINC000759165471 655949687 /nfs/dbraw/zinc/94/96/87/655949687.db2.gz NLAAJUNTBVIRCO-UHFFFAOYSA-N -2 0 396.215 2.854 20 0 GFADRL COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F ZINC000760364663 655977429 /nfs/dbraw/zinc/97/74/29/655977429.db2.gz LIPLVAHLSZZKON-UHFFFAOYSA-N -2 0 375.324 2.920 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2OC)cc1CC(=O)[O-] ZINC000775295591 656625743 /nfs/dbraw/zinc/62/57/43/656625743.db2.gz TUXRKFICEOXQLA-UHFFFAOYSA-N -2 0 385.825 2.785 20 0 GFADRL O=C([O-])[C@@H]([N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)c1cccs1 ZINC000776450938 656742722 /nfs/dbraw/zinc/74/27/22/656742722.db2.gz KRDHSHPZPMQBPD-JTQLQIEISA-N -2 0 387.307 2.548 20 0 GFADRL O=C(Nc1nc(Br)ccc1[O-])c1nc[n-]c1C(=O)c1ccccc1 ZINC000790046485 657919077 /nfs/dbraw/zinc/91/90/77/657919077.db2.gz GLOQVTCNKHJEJK-UHFFFAOYSA-N -2 0 387.193 2.756 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)OC3)c1Cl ZINC000808126318 659879272 /nfs/dbraw/zinc/87/92/72/659879272.db2.gz ZEDKBYCAKRDRQH-UHFFFAOYSA-N -2 0 381.793 2.818 20 0 GFADRL O=C([O-])[C@@H](C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1CCCC1 ZINC000863952654 662350716 /nfs/dbraw/zinc/35/07/16/662350716.db2.gz BHGNPWCRGOMTPE-LLVKDONJSA-N -2 0 380.249 2.689 20 0 GFADRL COc1cc(Cl)c(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)(C)C)cc1Cl ZINC000863960199 662351178 /nfs/dbraw/zinc/35/11/78/662351178.db2.gz KNZFLMYGEJEBOG-NSHDSACASA-N -2 0 398.264 2.554 20 0 GFADRL O=C([O-])[C@H](CC(F)F)[N-]S(=O)(=O)c1oc2ccccc2c1Br ZINC000864430979 662370466 /nfs/dbraw/zinc/37/04/66/662370466.db2.gz GXIXMYCJIRYYOJ-ZETCQYMHSA-N -2 0 398.181 2.582 20 0 GFADRL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Br)C(F)(F)F ZINC000871962985 662747173 /nfs/dbraw/zinc/74/71/73/662747173.db2.gz JYCWJIXPUPBVDZ-SCSAIBSYSA-N -2 0 394.140 2.516 20 0 GFADRL O=C([O-])C[C@@H](NS(=O)(=O)c1csc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000917723520 664488993 /nfs/dbraw/zinc/48/89/93/664488993.db2.gz POSXSSPWIWYGMP-LLVKDONJSA-N -2 0 389.838 2.594 20 0 GFADRL CNC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000057500421 551180761 /nfs/dbraw/zinc/18/07/61/551180761.db2.gz YXIRMLBIKIYOMG-UHFFFAOYSA-N -2 0 382.825 2.507 20 0 GFADRL O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)c1ccc(Br)cc1[O-] ZINC000179514106 552195140 /nfs/dbraw/zinc/19/51/40/552195140.db2.gz DPCBGUYTSLOQLB-UHFFFAOYSA-N -2 0 376.166 2.750 20 0 GFADRL CS(=O)(=O)[N-]c1cc(F)ccc1[N-]S(=O)(=O)c1ccccc1Cl ZINC000179767085 552202359 /nfs/dbraw/zinc/20/23/59/552202359.db2.gz XIMSCEWQTREPBD-UHFFFAOYSA-N -2 0 378.834 2.651 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3c2OCCC3=O)ccc1Cl ZINC000371588289 563282160 /nfs/dbraw/zinc/28/21/60/563282160.db2.gz LNBVWTVOJNEXNL-UHFFFAOYSA-N -2 0 381.793 2.804 20 0 GFADRL COc1ccc(OC(F)F)c([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000325002133 563453130 /nfs/dbraw/zinc/45/31/30/563453130.db2.gz ZRSNFPUEXHDKFI-UHFFFAOYSA-N -2 0 379.362 2.857 20 0 GFADRL CCn1cc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(F)c2)cc1C(=O)[O-] ZINC000327078958 563456775 /nfs/dbraw/zinc/45/67/75/563456775.db2.gz FRKIPHVQULEJKJ-UHFFFAOYSA-N -2 0 378.328 2.748 20 0 GFADRL COC(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000327675349 563459096 /nfs/dbraw/zinc/45/90/96/563459096.db2.gz LQHHKOAABXNHFV-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(F)cc2Br)cc1O ZINC000386851578 563518865 /nfs/dbraw/zinc/51/88/65/563518865.db2.gz YAXYTUQJRPBOGN-UHFFFAOYSA-N -2 0 390.186 2.793 20 0 GFADRL C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])c2cc(Cl)ccc2O1 ZINC000433512028 563614578 /nfs/dbraw/zinc/61/45/78/563614578.db2.gz UWPSAHVMMYMJEU-SECBINFHSA-N -2 0 383.809 2.720 20 0 GFADRL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(O)c1 ZINC000436743357 563678778 /nfs/dbraw/zinc/67/87/78/563678778.db2.gz GPYXHTXAUMCLSD-UHFFFAOYSA-N -2 0 385.781 2.551 20 0 GFADRL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])c1 ZINC000436953542 563685828 /nfs/dbraw/zinc/68/58/28/563685828.db2.gz QMYOCSWYPJSYCM-UHFFFAOYSA-N -3 0 385.781 2.551 20 0 GFADRL Cc1oncc1[N-]S(=O)(=O)c1cc(Br)cc(C(=O)[O-])c1C ZINC000507019593 564216110 /nfs/dbraw/zinc/21/61/10/564216110.db2.gz DRAKETWPNWDFBC-UHFFFAOYSA-N -2 0 375.200 2.553 20 0 GFADRL COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Br)c1 ZINC000476279024 564333295 /nfs/dbraw/zinc/33/32/95/564333295.db2.gz OEBUJVXDVPPVCH-UHFFFAOYSA-N -2 0 386.223 2.957 20 0 GFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)cc1C(=O)[O-] ZINC000567158051 564360219 /nfs/dbraw/zinc/36/02/19/564360219.db2.gz CHNUOMODGISNGT-UHFFFAOYSA-N -3 0 395.336 2.964 20 0 GFADRL Cc1c(Br)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1O ZINC000477422863 564376945 /nfs/dbraw/zinc/37/69/45/564376945.db2.gz FOJGPAREXJQSRG-UHFFFAOYSA-N -2 0 386.223 2.962 20 0 GFADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cccc(C[S@@](C)=O)c2)c1 ZINC000512724457 564409759 /nfs/dbraw/zinc/40/97/59/564409759.db2.gz CWMQFYDLGWISJO-XMMPIXPASA-N -2 0 385.438 2.512 20 0 GFADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1NC(=O)N(C)C ZINC000478706096 564411965 /nfs/dbraw/zinc/41/19/65/564411965.db2.gz RKGZJLWRKIDACS-UHFFFAOYSA-N -2 0 383.451 2.649 20 0 GFADRL CCc1ccc([N-]S(=O)(=O)c2cnn(CC(F)(F)F)c2)c(C(=O)[O-])c1 ZINC000479479982 564441619 /nfs/dbraw/zinc/44/16/19/564441619.db2.gz KWZXEYGBCQHWEV-UHFFFAOYSA-N -2 0 377.344 2.507 20 0 GFADRL C[C@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000547561122 564494546 /nfs/dbraw/zinc/49/45/46/564494546.db2.gz MURCGQKVKMZJTI-SSDOTTSWSA-N -2 0 386.214 2.507 20 0 GFADRL COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1cc(Cl)ccc1C(=O)[O-] ZINC000548538560 564556899 /nfs/dbraw/zinc/55/68/99/564556899.db2.gz NTIZJAQQNPPTPR-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL CC(C)=CCSC[C@@H](NS(=O)(=O)c1cc(C)c(F)cc1F)C(=O)[O-] ZINC000548590745 564564920 /nfs/dbraw/zinc/56/49/20/564564920.db2.gz WRKBPSFOFXXDBK-CYBMUJFWSA-N -2 0 379.450 2.704 20 0 GFADRL COc1cccc([N-]S(=O)(=O)c2cc(OC)c(C(=O)[O-])cc2Cl)c1O ZINC000484177624 564583597 /nfs/dbraw/zinc/58/35/97/564583597.db2.gz UXIVWIDKAGIBOU-UHFFFAOYSA-N -2 0 387.797 2.562 20 0 GFADRL COc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCO3)c(Cl)cc1C(=O)[O-] ZINC000485261747 564611547 /nfs/dbraw/zinc/61/15/47/564611547.db2.gz HMRBLUDTTCORBR-UHFFFAOYSA-N -2 0 383.809 2.783 20 0 GFADRL CCCc1nc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C(=O)[O-])c2)s1 ZINC000486119240 564640123 /nfs/dbraw/zinc/64/01/23/564640123.db2.gz UIKBZQLJQCCDDR-UHFFFAOYSA-N -3 0 384.435 2.601 20 0 GFADRL COC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cc1 ZINC000489755188 564751569 /nfs/dbraw/zinc/75/15/69/564751569.db2.gz TWDHIODPXXZZEE-UHFFFAOYSA-N -2 0 383.809 2.555 20 0 GFADRL COc1ccccc1[C@H](CC(C)C)NS(=O)(=O)c1csnc1C(=O)[O-] ZINC000582418381 564845643 /nfs/dbraw/zinc/84/56/43/564845643.db2.gz VVZXTXSWKYLCFW-LBPRGKRZSA-N -2 0 384.479 2.916 20 0 GFADRL Cc1ncsc1[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000530338153 564876917 /nfs/dbraw/zinc/87/69/17/564876917.db2.gz ZEOKIAYNQBSXFB-JTQLQIEISA-N -2 0 381.262 2.863 20 0 GFADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cn(CC(C)C)nc1C(F)F ZINC000534163910 564981364 /nfs/dbraw/zinc/98/13/64/564981364.db2.gz RSNLOXVYDWEIHD-UHFFFAOYSA-N -2 0 377.369 2.877 20 0 GFADRL O=C([O-])CCOc1ccc([N-]S(=O)(=O)c2cc(F)c(F)cc2F)cc1 ZINC000504507718 565041181 /nfs/dbraw/zinc/04/11/81/565041181.db2.gz MANXLYFXIQJPTM-UHFFFAOYSA-N -2 0 375.324 2.758 20 0 GFADRL O=C([O-])CC[C@@H](C[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)C(F)(F)F ZINC000663293308 565408376 /nfs/dbraw/zinc/40/83/76/565408376.db2.gz DKTODQDKWDHDFU-LURJTMIESA-N -2 0 395.733 2.940 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)c(OC)n1 ZINC000673884291 565851447 /nfs/dbraw/zinc/85/14/47/565851447.db2.gz MAGWQCZQBMXFQE-UHFFFAOYSA-N -2 0 386.813 2.560 20 0 GFADRL CC(C)[C@@H](CNC(=O)N=c1nc(SCc2ccccc2)[n-]s1)C(=O)[O-] ZINC000653540387 565971534 /nfs/dbraw/zinc/97/15/34/565971534.db2.gz GBDXQSNYFRAEJV-GFCCVEGCSA-N -2 0 380.495 2.731 20 0 GFADRL COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])c1 ZINC000610192983 566070034 /nfs/dbraw/zinc/07/00/34/566070034.db2.gz KIKQGCADNWYHAM-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL COc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(N(C)C)cc1C(=O)[O-] ZINC000681570866 566113095 /nfs/dbraw/zinc/11/30/95/566113095.db2.gz LVMJKFAUBYLDTB-UHFFFAOYSA-N -2 0 384.841 2.914 20 0 GFADRL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1CC(=O)[O-] ZINC000818772761 597452500 /nfs/dbraw/zinc/45/25/00/597452500.db2.gz REAGYOJQZMUYGV-UHFFFAOYSA-N -2 0 383.809 2.775 20 0 GFADRL CCOc1ccc(S(=O)(=O)Nc2ccc(N(C)C(=O)[O-])cc2)cc1C(=O)[O-] ZINC000737211170 599747542 /nfs/dbraw/zinc/74/75/42/599747542.db2.gz XHPMVDAZQJPKSA-UHFFFAOYSA-N -2 0 394.405 2.699 20 0 GFADRL CCOc1ccc(S(=O)(=O)Nc2ccc(F)c(NC(=O)[O-])c2)cc1C(=O)[O-] ZINC000737211138 599747591 /nfs/dbraw/zinc/74/75/91/599747591.db2.gz WNERWTYYWRTFDU-UHFFFAOYSA-N -2 0 398.368 2.813 20 0 GFADRL Cc1cc(C)c(NS(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)c(C(=O)[O-])c1 ZINC000738359362 599768742 /nfs/dbraw/zinc/76/87/42/599768742.db2.gz RJCAMAXOBZWTTB-UHFFFAOYSA-N -2 0 393.417 2.656 20 0 GFADRL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)cc1C ZINC000737718377 599815198 /nfs/dbraw/zinc/81/51/98/599815198.db2.gz QYGXDRWYSXIWAE-UHFFFAOYSA-N -2 0 389.838 2.996 20 0 GFADRL O=C([O-])CCc1ccc([N-]S(=O)(=O)c2c(Cl)nc3ccccn32)cc1 ZINC000739763960 599854006 /nfs/dbraw/zinc/85/40/06/599854006.db2.gz MESVLGHRCJPXFX-UHFFFAOYSA-N -2 0 379.825 2.806 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)sc1C(=O)[O-] ZINC000738239329 599876985 /nfs/dbraw/zinc/87/69/85/599876985.db2.gz HNMOTSSHWVNOEK-UHFFFAOYSA-N -2 0 380.447 2.682 20 0 GFADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)C[C@H]1CCCc2ccccc21 ZINC000739222420 599884275 /nfs/dbraw/zinc/88/42/75/599884275.db2.gz LZFJTCAAVLJAJN-GFCCVEGCSA-N -2 0 379.459 2.761 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2c(Cl)nc3sccn32)sc1C(=O)[O-] ZINC000738240558 599924507 /nfs/dbraw/zinc/92/45/07/599924507.db2.gz PFWQHTIYAFABHH-UHFFFAOYSA-N -2 0 377.856 2.918 20 0 GFADRL CC(C)COc1ccccc1C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000736448175 599982376 /nfs/dbraw/zinc/98/23/76/599982376.db2.gz IPZAAXDBQNIGIT-UHFFFAOYSA-N -2 0 391.445 2.679 20 0 GFADRL CC1=C(C(=O)[O-])[C@@H](c2ccc(OCC(=O)[O-])cc2)NC(=O)N1CCC(C)C ZINC000736750695 599983399 /nfs/dbraw/zinc/98/33/99/599983399.db2.gz MHZSMHWQWNIUQQ-QGZVFWFLSA-N -2 0 376.409 2.621 20 0 GFADRL CC1=C(C(=O)[O-])[C@@H](c2ccc(O)cc2)NC(=O)N1Cc1ccc(C(=O)[O-])cc1 ZINC000736749434 599992600 /nfs/dbraw/zinc/99/26/00/599992600.db2.gz BTPSKWNXBWZCIE-QGZVFWFLSA-N -2 0 382.372 2.716 20 0 GFADRL Cc1cccc(S(=O)(=O)[N-]c2cnc(-c3cccc(O)c3)nc2)c1C(=O)[O-] ZINC000738746075 600027070 /nfs/dbraw/zinc/02/70/70/600027070.db2.gz BWPNFZDZWFYZJO-UHFFFAOYSA-N -2 0 385.401 2.657 20 0 GFADRL O=C([O-])c1cc(C(F)(F)F)cc(S(=O)(=O)[N-]C(=O)/C=C/c2ccco2)c1 ZINC000739217414 600045046 /nfs/dbraw/zinc/04/50/46/600045046.db2.gz ZRLCMWJRFLBRJO-ONEGZZNKSA-N -2 0 389.307 2.515 20 0 GFADRL CC1(C)Cc2nc([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)sc2C(=O)C1 ZINC000736726606 600051456 /nfs/dbraw/zinc/05/14/56/600051456.db2.gz PMFYGFFIJOSASY-UHFFFAOYSA-N -2 0 386.476 2.859 20 0 GFADRL CC1=C(C(=O)[O-])[C@H](c2cccc(OCc3ccccc3C(=O)[O-])c2)NC(=S)N1 ZINC000736751739 600051544 /nfs/dbraw/zinc/05/15/44/600051544.db2.gz RZELYWMLTIUKKR-KRWDZBQOSA-N -2 0 398.440 2.841 20 0 GFADRL Cc1ccc(Cn2nccc2[N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])cc1 ZINC000738605288 600055161 /nfs/dbraw/zinc/05/51/61/600055161.db2.gz UKFCQCJNWKLKJG-UHFFFAOYSA-N -2 0 389.408 2.878 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)n(-c2ccccc2F)n1 ZINC000738239893 600055895 /nfs/dbraw/zinc/05/58/95/600055895.db2.gz KXUMFOIZXHMXNQ-UHFFFAOYSA-N -2 0 375.381 2.819 20 0 GFADRL O=C([O-])CCSCc1cccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000739754114 600070213 /nfs/dbraw/zinc/07/02/13/600070213.db2.gz ZZMGSJFIVPMZKW-UHFFFAOYSA-N -2 0 395.458 2.894 20 0 GFADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000738195593 600094179 /nfs/dbraw/zinc/09/41/79/600094179.db2.gz LTPZSGMBESRWBO-UHFFFAOYSA-N -3 0 385.394 2.745 20 0 GFADRL Cc1cccc(C[C@H](C[N-]S(=O)(=O)c2c(F)cc(F)cc2F)C(=O)[O-])c1 ZINC000547568408 600096545 /nfs/dbraw/zinc/09/65/45/600096545.db2.gz HCAUCLXMGUCTLF-GFCCVEGCSA-N -2 0 387.379 2.634 20 0 GFADRL Cc1cc(C(=O)[O-])c2sc([N-]S(=O)(=O)c3cc(F)ccc3C)nc2n1 ZINC000738345521 600102343 /nfs/dbraw/zinc/10/23/43/600102343.db2.gz GAUWSFKGCGBXOI-UHFFFAOYSA-N -2 0 381.410 2.946 20 0 GFADRL Cn1c([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])nc2cc(Cl)ccc21 ZINC000739014614 600127334 /nfs/dbraw/zinc/12/73/34/600127334.db2.gz SBYBODNQGAZLTA-UHFFFAOYSA-N -2 0 383.788 2.865 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)cn2)c(F)cc1Br ZINC000740090603 600204437 /nfs/dbraw/zinc/20/44/37/600204437.db2.gz ZJTAGEBBWFICTR-UHFFFAOYSA-N -2 0 393.165 2.621 20 0 GFADRL CCn1cnnc1-c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000737302610 600232151 /nfs/dbraw/zinc/23/21/51/600232151.db2.gz GUEKAWRCULPIGR-UHFFFAOYSA-N -2 0 390.396 2.603 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)n2)c(F)cc1F ZINC000740089602 600247372 /nfs/dbraw/zinc/24/73/72/600247372.db2.gz GHVIUFSLHVJOSZ-UHFFFAOYSA-N -2 0 382.266 2.878 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2cc(Cl)c(Cl)c(C(=O)[O-])c2)c(C(=O)[O-])[nH]1 ZINC000738463177 600255877 /nfs/dbraw/zinc/25/58/77/600255877.db2.gz BEGHXYYLXUJILM-UHFFFAOYSA-N -3 0 393.204 2.827 20 0 GFADRL CC[C@@H](Sc1ccccc1)C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000736928481 600420729 /nfs/dbraw/zinc/42/07/29/600420729.db2.gz JVZYZMQWIZKHEV-LLVKDONJSA-N -2 0 385.488 2.822 20 0 GFADRL Cc1[nH]nc(S(=O)(=O)[N-]c2cc(NC(=O)C(C)(C)C)ccc2C)c1C(=O)[O-] ZINC000738278758 600428763 /nfs/dbraw/zinc/42/87/63/600428763.db2.gz QQDLSCNFQYDMPF-UHFFFAOYSA-N -2 0 394.453 2.510 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1Br ZINC000115934349 600487526 /nfs/dbraw/zinc/48/75/26/600487526.db2.gz SWSVACLLFDGNGP-UHFFFAOYSA-N -2 0 376.184 2.550 20 0 GFADRL CC1=C(C(=O)[O-])[C@@H](c2cnn(C(C)C)c2)NC(=O)N1CCCCCC(=O)[O-] ZINC000736749362 600487559 /nfs/dbraw/zinc/48/75/59/600487559.db2.gz AYCVSUWWTFOXNJ-MRXNPFEDSA-N -2 0 378.429 2.534 20 0 GFADRL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2[nH]ccc2c1 ZINC000737717018 600565189 /nfs/dbraw/zinc/56/51/89/600565189.db2.gz GAPFOYMWGIDYAG-UHFFFAOYSA-N -2 0 380.403 2.515 20 0 GFADRL CC1(C)C[C@@H]1CNS(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000736726542 600634635 /nfs/dbraw/zinc/63/46/35/600634635.db2.gz MQNQHAIFBOWGHO-SSDOTTSWSA-N -2 0 380.235 2.611 20 0 GFADRL Cc1cnn(-c2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3F)cc2F)c1 ZINC000738810193 600636741 /nfs/dbraw/zinc/63/67/41/600636741.db2.gz SRSNQLZOBMWPKS-UHFFFAOYSA-N -2 0 393.371 2.958 20 0 GFADRL COc1cc(C(=O)[O-])cc(NC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)c1OC ZINC000831892633 600669428 /nfs/dbraw/zinc/66/94/28/600669428.db2.gz VBBPPBLRFXJXID-HXUWFJFHSA-N -2 0 387.388 2.773 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCCC2)cc1C(=O)[O-] ZINC000013262231 600808536 /nfs/dbraw/zinc/80/85/36/600808536.db2.gz CARGYBXIYHUCKT-UHFFFAOYSA-N -2 0 388.445 2.730 20 0 GFADRL CCOCCOCc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1C ZINC000830017529 600818031 /nfs/dbraw/zinc/81/80/31/600818031.db2.gz NSTOYGZJHFSMIU-UHFFFAOYSA-N -2 0 383.422 2.640 20 0 GFADRL O=C([O-])N1CCC[C@@H](NC(=O)c2cc(Br)cc(Cl)c2[O-])C1 ZINC000833130573 600826451 /nfs/dbraw/zinc/82/64/51/600826451.db2.gz PIZBVGKYLJNOPJ-MRVPVSSYSA-N -2 0 377.622 2.680 20 0 GFADRL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cc1N1CCOC1=O ZINC000832953017 600868531 /nfs/dbraw/zinc/86/85/31/600868531.db2.gz WGSNJPOPCYWHCH-UHFFFAOYSA-N -2 0 382.419 2.512 20 0 GFADRL CC(C)C[C@@H](CNC(=O)c1cc2ccccc2cc1[N-]S(C)(=O)=O)C(=O)[O-] ZINC000736404633 600926643 /nfs/dbraw/zinc/92/66/43/600926643.db2.gz ZFVKZTKBHKGIML-HNNXBMFYSA-N -2 0 392.477 2.688 20 0 GFADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)[C@H]1CCSc2ccccc21 ZINC000833348550 600938629 /nfs/dbraw/zinc/93/86/29/600938629.db2.gz ZFRJFHLTKYYQNE-JTQLQIEISA-N -2 0 383.472 2.531 20 0 GFADRL CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000829009823 600941013 /nfs/dbraw/zinc/94/10/13/600941013.db2.gz RYLRHBMOQZEMOA-SRVKXCTJSA-N -2 0 389.495 2.625 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@]23CCCc2ccccc23)s1 ZINC000833324291 600941562 /nfs/dbraw/zinc/94/15/62/600941562.db2.gz BMRVTSIJJNDFSY-FZKQIMNGSA-N -2 0 391.470 2.545 20 0 GFADRL Cn1c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)nc2cc(F)ccc21 ZINC000833039463 600988867 /nfs/dbraw/zinc/98/88/67/600988867.db2.gz HSDRITONKJUABQ-UHFFFAOYSA-N -2 0 383.788 2.865 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2cnn(-c3ccccc3F)c2)c(C(=O)[O-])c1 ZINC000534885572 601046810 /nfs/dbraw/zinc/04/68/10/601046810.db2.gz XWPUSWDQURHVAL-UHFFFAOYSA-N -2 0 391.380 2.519 20 0 GFADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)N(CCC(=O)[O-])c1cccc(F)c1 ZINC000737256912 601117569 /nfs/dbraw/zinc/11/75/69/601117569.db2.gz MEOQBBCQHKDQGQ-UHFFFAOYSA-N -2 0 395.408 2.756 20 0 GFADRL CCCCCn1nc(C)cc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000829373420 601201793 /nfs/dbraw/zinc/20/17/93/601201793.db2.gz VXGNSSBYOWOIJR-UHFFFAOYSA-N -2 0 381.454 2.646 20 0 GFADRL CCC(=O)Nc1ccc([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2OC)cc1 ZINC000828570433 601202447 /nfs/dbraw/zinc/20/24/47/601202447.db2.gz DUDIRSHVPPHQAU-UHFFFAOYSA-N -2 0 384.435 2.604 20 0 GFADRL CCOc1cc(F)ccc1[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC000830049453 601202791 /nfs/dbraw/zinc/20/27/91/601202791.db2.gz BYMQGXPUARAMEL-UHFFFAOYSA-N -2 0 375.399 2.794 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cccc(Cn2cccn2)c1 ZINC000831945978 601203047 /nfs/dbraw/zinc/20/30/47/601203047.db2.gz NUCCZMNPAPXTDA-UHFFFAOYSA-N -2 0 393.446 2.501 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2ccc(SC(=O)N(C)C)cc2)cc1C(=O)[O-] ZINC000833029893 601234332 /nfs/dbraw/zinc/23/43/32/601234332.db2.gz NZCJFIJFNMSMEM-UHFFFAOYSA-N -2 0 384.435 2.861 20 0 GFADRL O=C([O-])[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)C1 ZINC000833183186 601239542 /nfs/dbraw/zinc/23/95/42/601239542.db2.gz ALCNLAFABYHFBN-DTWKUNHWSA-N -2 0 397.346 2.540 20 0 GFADRL Cc1ccc(NS(=O)(=O)c2ccc(C(=O)CCC(=O)[O-])cc2)cc1C(=O)[O-] ZINC000433512332 601250660 /nfs/dbraw/zinc/25/06/60/601250660.db2.gz WARHTJRELGIOEF-UHFFFAOYSA-N -2 0 391.401 2.542 20 0 GFADRL O=C([O-])[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)CSc1n[n-]c(=S)s1 ZINC000833177484 601292207 /nfs/dbraw/zinc/29/22/07/601292207.db2.gz OZFZIRGDYOIMGM-QWRGUYRKSA-N -2 0 387.552 2.801 20 0 GFADRL COC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000476417132 601321602 /nfs/dbraw/zinc/32/16/02/601321602.db2.gz JDZMPKUBHVVDJW-UHFFFAOYSA-N -2 0 399.808 2.634 20 0 GFADRL COCCOc1ccccc1[N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000831783004 601327639 /nfs/dbraw/zinc/32/76/39/601327639.db2.gz BMFHFOWXPBIROA-FLIBITNWSA-N -2 0 377.418 2.610 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)N2CCCc3cc(C(=O)[O-])ccc32)c1C ZINC000111118729 601329396 /nfs/dbraw/zinc/32/93/96/601329396.db2.gz RTYBOEMEVWBOBH-UHFFFAOYSA-N -2 0 389.429 2.841 20 0 GFADRL CCOc1ccc(OC)cc1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000830089071 601330436 /nfs/dbraw/zinc/33/04/36/601330436.db2.gz YYZXIQQQTWYYND-IZZDOVSWSA-N -2 0 377.418 2.993 20 0 GFADRL COc1cc(S(=O)(=O)[N-]c2cc(C)[nH]c2C(=O)[O-])ccc1Br ZINC000832097514 601332081 /nfs/dbraw/zinc/33/20/81/601332081.db2.gz DSDONSLQUROJBF-UHFFFAOYSA-N -2 0 389.227 2.593 20 0 GFADRL CC1(C)Cc2nc([N-]S(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)sc2C(=O)C1 ZINC000828056403 601358435 /nfs/dbraw/zinc/35/84/35/601358435.db2.gz SZHZRFRDVVDFJR-UHFFFAOYSA-N -2 0 398.437 2.936 20 0 GFADRL Cn1nc(CC(C)(C)C)cc1[N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000833060564 601360442 /nfs/dbraw/zinc/36/04/42/601360442.db2.gz QUJSRAWKADDZRH-YFHOEESVSA-N -2 0 377.466 2.907 20 0 GFADRL CC1(C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)nc3C(=O)[O-])cc2O1 ZINC000828082522 601384003 /nfs/dbraw/zinc/38/40/03/601384003.db2.gz PJJJGQSKKLORDH-UHFFFAOYSA-N -2 0 384.797 2.741 20 0 GFADRL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])ccc1Cl ZINC000833300864 601384491 /nfs/dbraw/zinc/38/44/91/601384491.db2.gz PBSXKDUGOTWHJB-UHFFFAOYSA-N -3 0 391.188 2.586 20 0 GFADRL CC(C)(C(=O)[O-])c1ccc(NS(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)cc1 ZINC000751143381 601484636 /nfs/dbraw/zinc/48/46/36/601484636.db2.gz PPYWAAWVLHGNCD-UHFFFAOYSA-N -2 0 399.371 2.826 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnn(-c3ccccc3F)c2)c(F)cc1F ZINC000833306209 601492786 /nfs/dbraw/zinc/49/27/86/601492786.db2.gz FKPYRHWCIUTTGH-UHFFFAOYSA-N -2 0 397.334 2.789 20 0 GFADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)[O-] ZINC000829528281 601575624 /nfs/dbraw/zinc/57/56/24/601575624.db2.gz TYALRBOZZJQQLU-UHFFFAOYSA-N -3 0 397.405 2.882 20 0 GFADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000829528191 601575650 /nfs/dbraw/zinc/57/56/50/601575650.db2.gz RJYIJTHPXYGZCM-UHFFFAOYSA-N -3 0 385.419 2.734 20 0 GFADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000754254767 601575711 /nfs/dbraw/zinc/57/57/11/601575711.db2.gz DFSMYRXQRFZEHO-UHFFFAOYSA-N -3 0 397.380 2.812 20 0 GFADRL COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])cc1 ZINC000832241559 601755892 /nfs/dbraw/zinc/75/58/92/601755892.db2.gz SVFGVVPKUIIPRQ-MRXNPFEDSA-N -2 0 399.378 2.671 20 0 GFADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1cc(F)c(N2CCCC2)c(F)c1 ZINC000833345497 601769413 /nfs/dbraw/zinc/76/94/13/601769413.db2.gz UIJKWYBNXULHRA-UHFFFAOYSA-N -2 0 389.405 2.521 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2nc(CCCC(=O)[O-])cs2)c(F)cc1F ZINC000832904448 601771362 /nfs/dbraw/zinc/77/13/62/601771362.db2.gz NVUMBTWVCAWQPT-UHFFFAOYSA-N -2 0 376.406 2.938 20 0 GFADRL COCCc1ccc(S(=O)(=O)[N-]c2nc(CCCC(=O)[O-])cs2)cc1 ZINC000831795839 601772650 /nfs/dbraw/zinc/77/26/50/601772650.db2.gz NUERMQHMGRXBAK-UHFFFAOYSA-N -2 0 384.479 2.540 20 0 GFADRL CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cc1 ZINC000060211004 601828436 /nfs/dbraw/zinc/82/84/36/601828436.db2.gz LIMWILWHZIGHTP-UHFFFAOYSA-N -2 0 386.788 2.937 20 0 GFADRL CCn1ncc2ccc([N-]S(=O)(=O)c3ccc(Cl)nc3C(=O)[O-])cc21 ZINC000830450629 601838808 /nfs/dbraw/zinc/83/88/08/601838808.db2.gz DTWYJXNKZXYAJO-UHFFFAOYSA-N -2 0 380.813 2.604 20 0 GFADRL COc1cc2nc(C)sc2cc1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000832111857 601839985 /nfs/dbraw/zinc/83/99/85/601839985.db2.gz NLHUMWRVNZTQSO-UHFFFAOYSA-N -2 0 385.448 2.569 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(-c3nc[nH]n3)c2)c(Cl)cc1F ZINC000372606765 601841754 /nfs/dbraw/zinc/84/17/54/601841754.db2.gz RZSUGDDQRPRSKX-UHFFFAOYSA-N -2 0 396.787 2.763 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2O[C@H]2CCOC2)cc(F)c1F ZINC000759679800 601855708 /nfs/dbraw/zinc/85/57/08/601855708.db2.gz FPRPPPSNEMGKBY-JTQLQIEISA-N -2 0 399.371 2.632 20 0 GFADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC(C)C ZINC000477423789 601984604 /nfs/dbraw/zinc/98/46/04/601984604.db2.gz QFPQASPJWLCZHA-UHFFFAOYSA-N -3 0 393.417 2.979 20 0 GFADRL COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2)c1 ZINC000831242402 601985988 /nfs/dbraw/zinc/98/59/88/601985988.db2.gz BOTYDJBGLUPFLC-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL CC[C@H](c1nnc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)s1)c1ccccc1 ZINC000829033888 602102515 /nfs/dbraw/zinc/10/25/15/602102515.db2.gz ZKTMKETXFCZPHK-LBPRGKRZSA-N -2 0 392.462 2.907 20 0 GFADRL Cc1ccc(Cc2nnc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3)s2)cc1 ZINC000832933882 602105150 /nfs/dbraw/zinc/10/51/50/602105150.db2.gz IAEWLPQAZVVXMQ-UHFFFAOYSA-N -2 0 389.458 2.936 20 0 GFADRL CC(=O)N1CCCc2ccc(S(=O)(=O)[N-]c3cc(C(=O)[O-])cs3)cc21 ZINC000825841264 602115364 /nfs/dbraw/zinc/11/53/64/602115364.db2.gz PQMSPOAJSAURDI-UHFFFAOYSA-N -2 0 380.447 2.546 20 0 GFADRL COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000760363317 602118940 /nfs/dbraw/zinc/11/89/40/602118940.db2.gz CEOZUNCGRSKYKT-UHFFFAOYSA-N -2 0 379.287 2.751 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(-c3cccc(F)c3F)[nH]n2)cc1 ZINC000471136516 602119021 /nfs/dbraw/zinc/11/90/21/602119021.db2.gz LBHSMKWGZUISOY-UHFFFAOYSA-N -2 0 379.344 2.854 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2nnc(-c3ccccc3)s2)c(F)cc1F ZINC000833306208 602307018 /nfs/dbraw/zinc/30/70/18/602307018.db2.gz KIAGQFLWWZSODQ-UHFFFAOYSA-N -2 0 397.384 2.982 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])cs1 ZINC000740716406 602646746 /nfs/dbraw/zinc/64/67/46/602646746.db2.gz LZXHXPBMPJCOQI-UHFFFAOYSA-N -2 0 382.419 2.678 20 0 GFADRL O=C([O-])N[C@@H](CCC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000740540276 602669535 /nfs/dbraw/zinc/66/95/35/602669535.db2.gz NORMSKAZNREHMI-HNNXBMFYSA-N -2 0 396.852 2.934 20 0 GFADRL Cc1ccc(-n2[n-]c(C(=O)Nc3cccc(CN(C)C(=O)[O-])c3)cc2=O)cc1 ZINC000740102029 603087653 /nfs/dbraw/zinc/08/76/53/603087653.db2.gz KPRQCGVAJFPCBM-UHFFFAOYSA-N -2 0 380.404 2.836 20 0 GFADRL O=C([O-])N[C@@H](C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1)c1cccc(Cl)c1 ZINC000740530947 603300124 /nfs/dbraw/zinc/30/01/24/603300124.db2.gz ASLYUDJIQMGVJD-CYBMUJFWSA-N -2 0 388.767 2.631 20 0 GFADRL CCC(CC)S(=O)(=O)[N-]C(=O)c1cc(Cl)c(NC(=O)[O-])cc1OC ZINC000826576711 603448178 /nfs/dbraw/zinc/44/81/78/603448178.db2.gz YZPPSLDMFDWXGJ-UHFFFAOYSA-N -2 0 378.834 2.687 20 0 GFADRL COC(=O)C=Cc1ccc(S(=O)(=O)[N-]c2ccccc2NC(=O)[O-])cc1 ZINC000828646317 603631053 /nfs/dbraw/zinc/63/10/53/603631053.db2.gz HLGLCHPYFQSGDO-FLIBITNWSA-N -2 0 376.390 2.764 20 0 GFADRL O=C([O-])Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])cc1 ZINC000831815840 604045550 /nfs/dbraw/zinc/04/55/50/604045550.db2.gz SWBUKXQQQKIYRL-UHFFFAOYSA-N -2 0 390.417 2.545 20 0 GFADRL Cc1cc(C)cc(-c2nnc([N-]S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)s2)c1 ZINC000832875568 604402756 /nfs/dbraw/zinc/40/27/56/604402756.db2.gz VTXZPKJXWWPDLU-UHFFFAOYSA-N -2 0 378.435 2.649 20 0 GFADRL CC(C)(CCC(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000833457299 604495078 /nfs/dbraw/zinc/49/50/78/604495078.db2.gz NTYVEYNDTGSBHL-UHFFFAOYSA-N -2 0 375.446 2.948 20 0 GFADRL Cc1cc(Br)cnc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000129543673 604620624 /nfs/dbraw/zinc/62/06/24/604620624.db2.gz CKVUBBDTDWBSDY-UHFFFAOYSA-N -2 0 377.241 2.713 20 0 GFADRL CC(C)COc1ccc(S(=O)(=O)[N-]c2nc(CCC(=O)[O-])cs2)cc1 ZINC000826905117 604620644 /nfs/dbraw/zinc/62/06/44/604620644.db2.gz CMZLUPYVVHQKLQ-UHFFFAOYSA-N -2 0 384.479 2.996 20 0 GFADRL O=C([O-])CCc1csc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)n1 ZINC000833243172 604625180 /nfs/dbraw/zinc/62/51/80/604625180.db2.gz AWYNFBPSCMDBQB-UHFFFAOYSA-N -2 0 380.369 2.980 20 0 GFADRL C[C@H](CSCc1ccccc1)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000827582094 604816845 /nfs/dbraw/zinc/81/68/45/604816845.db2.gz XUGDJNUAWCPWMM-LLVKDONJSA-N -2 0 399.515 2.821 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)c(OC)c1C(=O)[O-] ZINC000833734574 604859600 /nfs/dbraw/zinc/85/96/00/604859600.db2.gz NNKGGDVROPLURO-UHFFFAOYSA-N -2 0 377.418 2.692 20 0 GFADRL Cc1ccc(F)c(NS(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)c1C(=O)[O-] ZINC000833749149 604943976 /nfs/dbraw/zinc/94/39/76/604943976.db2.gz ACRGJUPDEFHXRA-WEVVVXLNSA-N -2 0 379.365 2.731 20 0 GFADRL C[C@@H](OC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1)C(=O)[O-] ZINC000737710272 605013676 /nfs/dbraw/zinc/01/36/76/605013676.db2.gz AMFDZSFQQVFTEK-SNVBAGLBSA-N -2 0 383.809 2.771 20 0 GFADRL CC(C)(C)c1ncc([N-]S(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)cn1 ZINC000833450864 605123906 /nfs/dbraw/zinc/12/39/06/605123906.db2.gz NMLCXKMLPKGSOE-UHFFFAOYSA-N -2 0 375.450 2.691 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])nc2)c(Cl)c1Cl ZINC000833734559 605167851 /nfs/dbraw/zinc/16/78/51/605167851.db2.gz MUMHBUDRMVFWKN-UHFFFAOYSA-N -2 0 377.205 2.896 20 0 GFADRL Cc1cnn(-c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2ccccc2F)c1 ZINC000833754381 605191090 /nfs/dbraw/zinc/19/10/90/605191090.db2.gz NLJXWWXKJMAPEA-UHFFFAOYSA-N -2 0 375.381 2.819 20 0 GFADRL Cc1cnn(-c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2ccc(F)cc2F)c1 ZINC000833754636 605191209 /nfs/dbraw/zinc/19/12/09/605191209.db2.gz ZJFAMOBUCGQDCJ-UHFFFAOYSA-N -2 0 393.371 2.958 20 0 GFADRL O=C([O-])N[C@H](CNC(=O)c1ccc(Br)c(O)c1)c1ccccc1 ZINC000834146389 605936877 /nfs/dbraw/zinc/93/68/77/605936877.db2.gz IBFNQDWVRJBDSH-CYBMUJFWSA-N -2 0 379.210 2.893 20 0 GFADRL CCN(Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1)C(C)=O ZINC000032599385 654606009 /nfs/dbraw/zinc/60/60/09/654606009.db2.gz YPNKOZQHVXDMJI-UHFFFAOYSA-N -2 0 382.463 2.616 20 0 GFADRL CC(C)n1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2Br)cn1 ZINC000061683274 654841714 /nfs/dbraw/zinc/84/17/14/654841714.db2.gz RDRRDFZUZVONCT-UHFFFAOYSA-N -2 0 394.272 2.787 20 0 GFADRL COC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000067124861 654930913 /nfs/dbraw/zinc/93/09/13/654930913.db2.gz AVQWWRYHVBUFBL-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Br)nc1 ZINC000222059014 655422073 /nfs/dbraw/zinc/42/20/73/655422073.db2.gz DYFMERDJIIAROE-UHFFFAOYSA-N -2 0 377.241 2.713 20 0 GFADRL C[C@H](CN(C)C(=O)c1cc(Br)c([O-])c(Br)c1)C(=O)[O-] ZINC000263094077 655449471 /nfs/dbraw/zinc/44/94/71/655449471.db2.gz CINPSJNCQDTUOI-ZCFIWIBFSA-N -2 0 395.047 2.710 20 0 GFADRL Cc1c([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cccc1N1CCOC1=O ZINC000743268207 655727674 /nfs/dbraw/zinc/72/76/74/655727674.db2.gz ZUSBUMKFSCNLCD-UHFFFAOYSA-N -2 0 382.419 2.512 20 0 GFADRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC000749838326 655808151 /nfs/dbraw/zinc/80/81/51/655808151.db2.gz VKPDYJIGVHEWGQ-UHFFFAOYSA-N -2 0 377.205 2.896 20 0 GFADRL COC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Cl)cc1 ZINC000753771089 655858233 /nfs/dbraw/zinc/85/82/33/655858233.db2.gz OAOYDSSMGDWIST-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc3c2OCCO3)c1Cl ZINC000753773709 655858345 /nfs/dbraw/zinc/85/83/45/655858345.db2.gz AMGQMGQZJSUFSD-UHFFFAOYSA-N -2 0 383.809 2.919 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc([S@@](C)=O)c2)c1Cl ZINC000753777862 655858489 /nfs/dbraw/zinc/85/84/89/655858489.db2.gz AEKWQQMPHQZOCD-HSZRJFAPSA-N -2 0 387.866 2.885 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)cc2O)c(Br)s1 ZINC000765102274 656132091 /nfs/dbraw/zinc/13/20/91/656132091.db2.gz KHVCIWUYBBZZAK-UHFFFAOYSA-N -2 0 396.215 2.854 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2cn(C)nc2C(F)(F)F)cc(C(=O)[O-])c1Cl ZINC000766050618 656158851 /nfs/dbraw/zinc/15/88/51/656158851.db2.gz MPTSKQBBFIQRTA-UHFFFAOYSA-N -2 0 397.762 2.900 20 0 GFADRL COc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])cnc1Cl ZINC000767461169 656204594 /nfs/dbraw/zinc/20/45/94/656204594.db2.gz QVIXAADOQHLIPI-UHFFFAOYSA-N -2 0 377.205 2.896 20 0 GFADRL CCC[C@H](C)C[C@H]([N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)[O-] ZINC000776583292 656762309 /nfs/dbraw/zinc/76/23/09/656762309.db2.gz FOIKIQHXGSWKDQ-BQBZGAKWSA-N -2 0 389.342 2.940 20 0 GFADRL CC(C)(C)[C@@H](C[N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)CC(=O)[O-] ZINC000776641415 656774052 /nfs/dbraw/zinc/77/40/52/656774052.db2.gz ROFNLTRJUPEOEG-ZCFIWIBFSA-N -2 0 389.342 2.797 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)cc(C(=O)[O-])c1Cl ZINC000788752617 657782980 /nfs/dbraw/zinc/78/29/80/657782980.db2.gz DLXWDLDNYYISLH-UHFFFAOYSA-N -3 0 385.781 2.551 20 0 GFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)nc2)cc1C(=O)[O-] ZINC000790382416 657965306 /nfs/dbraw/zinc/96/53/06/657965306.db2.gz CSWIENWGMCXFSA-UHFFFAOYSA-N -2 0 377.205 2.896 20 0 GFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2cc(C(C)(C)C)[nH]n2)cc1C(=O)[O-] ZINC000790393348 657967046 /nfs/dbraw/zinc/96/70/46/657967046.db2.gz HCBXHNCWMVSJJP-UHFFFAOYSA-N -2 0 387.845 2.868 20 0 GFADRL C[C@H](O)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)ccc1F ZINC000795387719 658813654 /nfs/dbraw/zinc/81/36/54/658813654.db2.gz LUESIILIEOTNBD-ZETCQYMHSA-N -2 0 375.324 2.656 20 0 GFADRL CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1SC ZINC000844646801 661431201 /nfs/dbraw/zinc/43/12/01/661431201.db2.gz XSNBJBHDRDJDTC-CYBMUJFWSA-N -2 0 375.468 2.580 20 0 GFADRL C[C@@H](CCC(=O)[O-])NC(=O)c1cc(Br)c([O-])c(Br)c1 ZINC000909452620 664159156 /nfs/dbraw/zinc/15/91/56/664159156.db2.gz GZUVIRHKOGMPQO-LURJTMIESA-N -2 0 395.047 2.900 20 0 GFADRL C[C@H](CNC(=O)c1cc(Br)c([O-])c(Br)c1)CC(=O)[O-] ZINC000909484887 664160783 /nfs/dbraw/zinc/16/07/83/664160783.db2.gz HZFIATODEQACDN-LURJTMIESA-N -2 0 395.047 2.758 20 0 GFADRL O=C([O-])c1cc(F)c(F)c(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000392923722 677410232 /nfs/dbraw/zinc/41/02/32/677410232.db2.gz GRVCZLGFUQMHNU-UHFFFAOYSA-N -3 0 391.735 2.815 20 0 GFADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cnn1-c1ccccc1F ZINC000152631475 551436933 /nfs/dbraw/zinc/43/69/33/551436933.db2.gz XAUOQETZUBZLHT-UHFFFAOYSA-N -2 0 381.410 2.880 20 0 GFADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)C[C@@H]2CCCC2(F)F)c1OC ZINC000296916085 563308180 /nfs/dbraw/zinc/30/81/80/563308180.db2.gz KKNNYLNIVYLXKK-JTQLQIEISA-N -2 0 379.381 2.579 20 0 GFADRL CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2F)c(C(=O)[O-])c1 ZINC000327322536 563457983 /nfs/dbraw/zinc/45/79/83/563457983.db2.gz VIZGKZIXZPCELE-UHFFFAOYSA-N -2 0 386.788 2.937 20 0 GFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc(Br)c2F)cc1O ZINC000436494041 563672121 /nfs/dbraw/zinc/67/21/21/563672121.db2.gz SFGIKTJYBJHILD-UHFFFAOYSA-N -2 0 390.186 2.793 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C)cc2-c2nc[nH]n2)sc1C(=O)[O-] ZINC000361071936 563696654 /nfs/dbraw/zinc/69/66/54/563696654.db2.gz ZPNLEEACYBSPIG-UHFFFAOYSA-N -2 0 378.435 2.649 20 0 GFADRL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2cc(-c3cccs3)[nH]n2)c1 ZINC000444419692 563830995 /nfs/dbraw/zinc/83/09/95/563830995.db2.gz BBGJWSUFCBVEDG-UHFFFAOYSA-N -2 0 379.419 2.651 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc3c2OCC[C@H]3O)cc1Cl ZINC000368503865 563872340 /nfs/dbraw/zinc/87/23/40/563872340.db2.gz RSITUYVCHBSGCF-CQSZACIVSA-N -2 0 383.809 2.655 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3nccs3)cc2)o1 ZINC000539556119 564222308 /nfs/dbraw/zinc/22/23/08/564222308.db2.gz UVYONJQPXFOREV-UHFFFAOYSA-N -2 0 399.475 2.646 20 0 GFADRL CSc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1C ZINC000540290193 564244010 /nfs/dbraw/zinc/24/40/10/564244010.db2.gz BVELKARZWGXXLS-UHFFFAOYSA-N -2 0 381.431 2.914 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2cncc(Br)c2)c(C(=O)[O-])cc1C ZINC000507984809 564250110 /nfs/dbraw/zinc/25/01/10/564250110.db2.gz MOBVLHVGGBGTDI-UHFFFAOYSA-N -2 0 385.239 2.960 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccsc3)cc2)no1 ZINC000508191351 564257243 /nfs/dbraw/zinc/25/72/43/564257243.db2.gz BQVUEVHJLMSHDJ-UHFFFAOYSA-N -2 0 399.475 2.646 20 0 GFADRL CCOc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000509614911 564306005 /nfs/dbraw/zinc/30/60/05/564306005.db2.gz BQXYTQRKMSDPLH-UHFFFAOYSA-N -2 0 378.328 2.931 20 0 GFADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2c(C)ccc(Cl)c2C(=O)[O-])s1 ZINC000475737510 564317008 /nfs/dbraw/zinc/31/70/08/564317008.db2.gz DOOYUJRILOIKBU-UHFFFAOYSA-N -2 0 389.838 2.996 20 0 GFADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2ncsc2c1 ZINC000511220207 564363149 /nfs/dbraw/zinc/36/31/49/564363149.db2.gz AREJRWMNJTZNOQ-UHFFFAOYSA-N -2 0 378.431 2.733 20 0 GFADRL COC(=O)c1cc(F)cc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c1F ZINC000478701471 564411748 /nfs/dbraw/zinc/41/17/48/564411748.db2.gz IDWGWMCKMWXJER-UHFFFAOYSA-N -2 0 391.373 2.620 20 0 GFADRL Cc1c(Cl)cc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1C(=O)[O-] ZINC000479254089 564433841 /nfs/dbraw/zinc/43/38/41/564433841.db2.gz SCSMGURENKVSKB-UHFFFAOYSA-N -2 0 387.772 2.985 20 0 GFADRL Cc1c(Cl)cc(S(=O)(=O)N(C)c2ccccc2C(=O)[O-])cc1C(=O)[O-] ZINC000479298605 564435616 /nfs/dbraw/zinc/43/56/16/564435616.db2.gz VTPLBEMJRYMPQQ-UHFFFAOYSA-N -2 0 383.809 2.870 20 0 GFADRL COc1cc(OC)c([N-]S(=O)(=O)c2c(F)cccc2Cl)c(C(=O)[O-])c1 ZINC000545913769 564437546 /nfs/dbraw/zinc/43/75/46/564437546.db2.gz QJJFIOVWBSLGAU-UHFFFAOYSA-N -2 0 389.788 2.995 20 0 GFADRL CC(C)n1cnc(S(=O)(=O)[N-]c2cc(Br)cc(C(=O)[O-])c2)c1 ZINC000513814221 564440304 /nfs/dbraw/zinc/44/03/04/564440304.db2.gz URXPIDZXFLZHEK-UHFFFAOYSA-N -2 0 388.243 2.726 20 0 GFADRL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000479472698 564441397 /nfs/dbraw/zinc/44/13/97/564441397.db2.gz XJWACSCUJUYPDB-UHFFFAOYSA-N -2 0 383.809 2.775 20 0 GFADRL COC(=O)Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2Cl)cc1 ZINC000547888811 564516615 /nfs/dbraw/zinc/51/66/15/564516615.db2.gz BNVBZHNCFVPCHL-UHFFFAOYSA-N -2 0 383.809 2.555 20 0 GFADRL COc1cc(Cl)c(S(=O)(=O)N[C@@H]2CCC[C@@]2(C)C(=O)[O-])cc1Cl ZINC000547889674 564516996 /nfs/dbraw/zinc/51/69/96/564516996.db2.gz QDMGXQVYAZBVGC-TZMCWYRMSA-N -2 0 382.265 2.924 20 0 GFADRL COc1cc(C)c([N-]S(=O)(=O)c2c(F)cc(F)cc2F)c(C(=O)[O-])c1 ZINC000547934685 564523236 /nfs/dbraw/zinc/52/32/36/564523236.db2.gz HLGOKPDHHDFNJN-UHFFFAOYSA-N -2 0 375.324 2.920 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)F)cc2)c(F)c1 ZINC000481952815 564529317 /nfs/dbraw/zinc/52/93/17/564529317.db2.gz VIRVOVBRKVVHQJ-UHFFFAOYSA-N -2 0 375.324 2.969 20 0 GFADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@@H](CC(=O)[O-])C12CC3CC(CC(C3)C1)C2 ZINC000548531672 564556609 /nfs/dbraw/zinc/55/66/09/564556609.db2.gz UYJQDOKWSCQAEE-MQOIPSKCSA-N -2 0 383.432 2.916 20 0 GFADRL CC(C)n1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)cn1 ZINC000549541624 564597651 /nfs/dbraw/zinc/59/76/51/564597651.db2.gz ZTTBBKFYMGGFTR-UHFFFAOYSA-N -2 0 377.344 2.982 20 0 GFADRL O=C([O-])C[C@H]([N-]S(=O)(=O)CC(F)(F)F)c1ccc(OC(F)(F)F)cc1 ZINC000573960718 564661731 /nfs/dbraw/zinc/66/17/31/564661731.db2.gz GJYOFSJJPMRVQC-VIFPVBQESA-N -2 0 395.277 2.583 20 0 GFADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000525329633 564698252 /nfs/dbraw/zinc/69/82/52/564698252.db2.gz CJHCZUINWVSQTO-UHFFFAOYSA-N -2 0 383.447 2.918 20 0 GFADRL CC(=O)Nc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000489692822 564749307 /nfs/dbraw/zinc/74/93/07/564749307.db2.gz BLLCTNWIVUQMLN-UHFFFAOYSA-N -2 0 386.788 2.937 20 0 GFADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(-c2ccccc2F)c1 ZINC000532037234 564926871 /nfs/dbraw/zinc/92/68/71/564926871.db2.gz FGZUJQALJPEHOL-UHFFFAOYSA-N -2 0 381.410 2.880 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(Cl)c2OCC(F)F)c[nH]1 ZINC000561699317 565005611 /nfs/dbraw/zinc/00/56/11/565005611.db2.gz BJRVTWVNONSQBM-UHFFFAOYSA-N -2 0 380.756 2.811 20 0 GFADRL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000588622951 565135133 /nfs/dbraw/zinc/13/51/33/565135133.db2.gz IFJLLMQXKNMNNL-UHFFFAOYSA-N -2 0 383.809 2.919 20 0 GFADRL COC(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1SC ZINC000619568386 565349683 /nfs/dbraw/zinc/34/96/83/565349683.db2.gz JQJHRAIVPUAPQB-UHFFFAOYSA-N -2 0 381.431 2.694 20 0 GFADRL C[C@@H]1C[C@H](S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC(F)(F)F)CCO1 ZINC000650412552 565818117 /nfs/dbraw/zinc/81/81/17/565818117.db2.gz LVSRXKLNDLLHCM-PSASIEDQSA-N -2 0 383.344 2.593 20 0 GFADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(Cl)cnc1N ZINC000677234876 565965775 /nfs/dbraw/zinc/96/57/75/565965775.db2.gz RBKWAJORXXAFPC-UHFFFAOYSA-N -2 0 385.829 2.605 20 0 GFADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c1OC ZINC000608760799 566022355 /nfs/dbraw/zinc/02/23/55/566022355.db2.gz DLHKRZZYPOOOBE-UHFFFAOYSA-N -2 0 389.788 2.995 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)c(OC)c1OC ZINC000466289559 599747927 /nfs/dbraw/zinc/74/79/27/599747927.db2.gz VSZDHBRWFFNKAW-UHFFFAOYSA-N -2 0 381.406 2.520 20 0 GFADRL O=C([O-])Nc1cccc([N-]S(=O)(=O)c2cc3c(cc2Cl)NC(=O)C3)c1 ZINC000740041508 599802138 /nfs/dbraw/zinc/80/21/38/599802138.db2.gz RGXKEJFKZXOGPV-UHFFFAOYSA-N -2 0 381.797 2.725 20 0 GFADRL O=C([O-])c1ccc2c(c1)CCCN2S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC000740189614 599851412 /nfs/dbraw/zinc/85/14/12/599851412.db2.gz PJNAFPQPWKFTTN-UHFFFAOYSA-N -2 0 395.820 2.878 20 0 GFADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)[N-]c2ccc3ccccc3n2)c1 ZINC000737679898 599883136 /nfs/dbraw/zinc/88/31/36/599883136.db2.gz BTHKGDVOZCOQPF-UHFFFAOYSA-N -2 0 386.385 2.520 20 0 GFADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cc(Cl)ccc1-n1cncn1 ZINC000477407021 599905312 /nfs/dbraw/zinc/90/53/12/599905312.db2.gz RBNPDIYOAXQAKR-UHFFFAOYSA-N -2 0 392.824 2.728 20 0 GFADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1C(=O)NC(C)C ZINC000738632778 599908679 /nfs/dbraw/zinc/90/86/79/599908679.db2.gz MCJJJFUEFKPUKR-UHFFFAOYSA-N -2 0 394.424 2.771 20 0 GFADRL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1cccc(CSCC(=O)[O-])c1 ZINC000738915618 599927618 /nfs/dbraw/zinc/92/76/18/599927618.db2.gz QSBJODMUOSOJDT-UHFFFAOYSA-N -2 0 389.886 2.501 20 0 GFADRL CC1=C(C(=O)[O-])[C@@H](c2cccc(OCCC(=O)[O-])c2)NC(=O)N1CC(C)C ZINC000736750784 599984390 /nfs/dbraw/zinc/98/43/90/599984390.db2.gz NBGULSKVSVEDQR-QGZVFWFLSA-N -2 0 376.409 2.621 20 0 GFADRL CC1=C(C(=O)[O-])[C@H](c2ccc(OCCC(=O)[O-])cc2)NC(=O)N1CC(C)C ZINC000736752222 599984780 /nfs/dbraw/zinc/98/47/80/599984780.db2.gz VOEYIGJAFFZIBJ-KRWDZBQOSA-N -2 0 376.409 2.621 20 0 GFADRL COc1c(C)cc([C@H]2NC(=O)N(CCCCC(=O)[O-])C(C)=C2C(=O)[O-])cc1C ZINC000737839232 599989647 /nfs/dbraw/zinc/98/96/47/599989647.db2.gz GVJCYOPECSRKHR-QGZVFWFLSA-N -2 0 390.436 2.992 20 0 GFADRL CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2cc(OC)ccc2C(=O)[O-])cc1 ZINC000727797316 600006263 /nfs/dbraw/zinc/00/62/63/600006263.db2.gz OWUBYXRDPINDIT-UHFFFAOYSA-N -2 0 393.417 2.761 20 0 GFADRL Cc1cccc(C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000738692607 600045023 /nfs/dbraw/zinc/04/50/23/600045023.db2.gz LSPXJIJSORZOFO-UHFFFAOYSA-N -2 0 387.335 2.831 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])n(-c2ccccc2)n1 ZINC000738463297 600052142 /nfs/dbraw/zinc/05/21/42/600052142.db2.gz LNRKCEUASCMDKR-UHFFFAOYSA-N -2 0 375.381 2.819 20 0 GFADRL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1nc(CN2CCCCC2)cs1 ZINC000740146975 600054250 /nfs/dbraw/zinc/05/42/50/600054250.db2.gz XNEOVYBUFSCBTO-UHFFFAOYSA-N -2 0 399.469 2.767 20 0 GFADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccnn2Cc2ccccc2)c1C(=O)[O-] ZINC000738969023 600054901 /nfs/dbraw/zinc/05/49/01/600054901.db2.gz GOPQDJDGMRYWJU-UHFFFAOYSA-N -2 0 375.406 2.640 20 0 GFADRL C[C@H](C1CC1)n1nccc1[N-]S(=O)(=O)c1ccc(OCCC(=O)[O-])cc1 ZINC000736540010 600098913 /nfs/dbraw/zinc/09/89/13/600098913.db2.gz BROYWYZTGNNXNS-GFCCVEGCSA-N -2 0 379.438 2.508 20 0 GFADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(-c3nc[nH]n3)cc2)c1 ZINC000735461438 600177253 /nfs/dbraw/zinc/17/72/53/600177253.db2.gz HQXVSHOYJRWBCA-UHFFFAOYSA-N -2 0 378.797 2.624 20 0 GFADRL COc1ccc2nc([N-]S(=O)(=O)c3ccc(CC(=O)[O-])cc3)sc2c1 ZINC000327307568 600243769 /nfs/dbraw/zinc/24/37/69/600243769.db2.gz SYHSUFRTPCKKFE-UHFFFAOYSA-N -2 0 378.431 2.733 20 0 GFADRL CCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000737109297 600244891 /nfs/dbraw/zinc/24/48/91/600244891.db2.gz VBZFCBVKMSCHMX-UHFFFAOYSA-N -2 0 377.418 2.915 20 0 GFADRL COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]c1ccc(CN(C)C(=O)[O-])cc1 ZINC000737649034 600300740 /nfs/dbraw/zinc/30/07/40/600300740.db2.gz IQMSHWQQEYJRLV-UHFFFAOYSA-N -2 0 396.421 2.594 20 0 GFADRL O=C([O-])CCN(Cc1ccccc1)C(=O)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC000739723136 600361647 /nfs/dbraw/zinc/36/16/47/600361647.db2.gz GMQNWTDFSMJQAF-UHFFFAOYSA-N -2 0 383.429 2.741 20 0 GFADRL Cc1ccc(Nc2ccccc2C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])cc1 ZINC000738635907 600462569 /nfs/dbraw/zinc/46/25/69/600462569.db2.gz HURYTDDHMXMGKI-UHFFFAOYSA-N -2 0 376.434 2.663 20 0 GFADRL COc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C(=O)[O-])cc1C(=O)[O-] ZINC000523186408 600544060 /nfs/dbraw/zinc/54/40/60/600544060.db2.gz DQJYDMNIAYIYJY-UHFFFAOYSA-N -2 0 379.390 2.509 20 0 GFADRL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000738463465 600637809 /nfs/dbraw/zinc/63/78/09/600637809.db2.gz FVEHQLITQREWDG-UHFFFAOYSA-N -2 0 385.781 2.551 20 0 GFADRL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]c1cc(Cl)cc(C(=O)[O-])c1 ZINC000737696422 600638045 /nfs/dbraw/zinc/63/80/45/600638045.db2.gz WTHGFVJLCXOHDY-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL COc1ccccc1-n1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)cn1 ZINC000558858013 600671306 /nfs/dbraw/zinc/67/13/06/600671306.db2.gz AVSRTIHEUUMYST-UHFFFAOYSA-N -2 0 387.417 2.688 20 0 GFADRL CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cc1 ZINC000736232822 600678302 /nfs/dbraw/zinc/67/83/02/600678302.db2.gz OZRWBKJLZZYDRR-UHFFFAOYSA-N -3 0 399.371 2.826 20 0 GFADRL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000466269759 600683636 /nfs/dbraw/zinc/68/36/36/600683636.db2.gz LDAYUNQGIYATCA-UHFFFAOYSA-N -3 0 397.380 2.730 20 0 GFADRL CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c(C(F)(F)F)c1 ZINC000299252939 600812853 /nfs/dbraw/zinc/81/28/53/600812853.db2.gz TZDJJEANNPCWEO-UHFFFAOYSA-N -2 0 392.355 2.942 20 0 GFADRL Cn1cc(S(=O)(=O)[N-]c2ccc(F)cc2OCC(F)(F)F)cc1C(=O)[O-] ZINC000505300705 600815537 /nfs/dbraw/zinc/81/55/37/600815537.db2.gz YDEIOXHFKANVEZ-UHFFFAOYSA-N -2 0 396.318 2.604 20 0 GFADRL CCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000737030112 600887117 /nfs/dbraw/zinc/88/71/17/600887117.db2.gz QEQLPNNHSMBZMO-UHFFFAOYSA-N -2 0 396.852 2.979 20 0 GFADRL NC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000739177659 600891203 /nfs/dbraw/zinc/89/12/03/600891203.db2.gz QEKFGQAHNDOTBR-UHFFFAOYSA-N -2 0 389.216 2.591 20 0 GFADRL CC(=O)Nc1cc(F)c(F)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000506600599 600891324 /nfs/dbraw/zinc/89/13/24/600891324.db2.gz GWGDXPKYUGOMJP-UHFFFAOYSA-N -2 0 384.360 2.731 20 0 GFADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccc(N3CCSCC3)cc2)c1 ZINC000740144421 600896781 /nfs/dbraw/zinc/89/67/81/600896781.db2.gz PSSAKWREJIXJIP-UHFFFAOYSA-N -2 0 396.465 2.878 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc(OC)c2OC)cc1C ZINC000467324810 600897329 /nfs/dbraw/zinc/89/73/29/600897329.db2.gz RVFZMCYYGIJPBX-UHFFFAOYSA-N -2 0 381.406 2.520 20 0 GFADRL COc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)cn2)cc1 ZINC000738048395 600898267 /nfs/dbraw/zinc/89/82/67/600898267.db2.gz DJXQJHPQUFTPTQ-UHFFFAOYSA-N -2 0 390.373 2.975 20 0 GFADRL C[C@@H](CCc1cccc(F)c1)C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000827427132 600943444 /nfs/dbraw/zinc/94/34/44/600943444.db2.gz BWLOWEOTCJBECD-ZDUSSCGKSA-N -2 0 393.436 2.739 20 0 GFADRL CCCCCC[C@@](C)(CC)C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000829358126 600943633 /nfs/dbraw/zinc/94/36/33/600943633.db2.gz YZNUTZRQUTYCMG-QGZVFWFLSA-N -2 0 376.519 2.531 20 0 GFADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)[C@@H]2C[C@]23CCCc2ccccc23)cc1 ZINC000833314205 600944257 /nfs/dbraw/zinc/94/42/57/600944257.db2.gz DPBRYGWJQCSVQE-RXVVDRJESA-N -2 0 399.468 2.625 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cn2)ccc1C(=O)[O-] ZINC000832904663 600983002 /nfs/dbraw/zinc/98/30/02/600983002.db2.gz XWABKHIZXFYKPW-UHFFFAOYSA-N -2 0 375.450 2.879 20 0 GFADRL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ncc(C(C)C)s1 ZINC000831469972 600983992 /nfs/dbraw/zinc/98/39/92/600983992.db2.gz AOEDOIRLJQPJPF-UHFFFAOYSA-N -2 0 390.464 2.614 20 0 GFADRL Cc1cc(Br)c(S(=O)(=O)[N-]c2cnccc2C(=O)[O-])s1 ZINC000832858647 600984144 /nfs/dbraw/zinc/98/41/44/600984144.db2.gz OJCBZSTZHMHZFQ-UHFFFAOYSA-N -2 0 377.241 2.713 20 0 GFADRL CCc1cnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Br)s1 ZINC000830299291 600985321 /nfs/dbraw/zinc/98/53/21/600985321.db2.gz NLODGEPWJZWBMA-UHFFFAOYSA-N -2 0 391.268 2.967 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OC(F)F)cc1C(=O)[O-] ZINC000460831531 601050659 /nfs/dbraw/zinc/05/06/59/601050659.db2.gz WIBHRRNEHFHMHO-UHFFFAOYSA-N -2 0 391.323 2.935 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc(OC)c(Cl)c1 ZINC000832419666 601150692 /nfs/dbraw/zinc/15/06/92/601150692.db2.gz XCLMPZXALTZUEV-UHFFFAOYSA-N -2 0 377.827 2.918 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1nc(-c2ccccc2)ns1 ZINC000831949829 601200858 /nfs/dbraw/zinc/20/08/58/601200858.db2.gz IAIJHAFBAMPRMQ-UHFFFAOYSA-N -2 0 397.459 2.774 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2cc(NC(=O)C3CC3)ccc2C)cc1C(=O)[O-] ZINC000832941653 601231962 /nfs/dbraw/zinc/23/19/62/601231962.db2.gz MCHPVSPWLADGJD-UHFFFAOYSA-N -2 0 378.406 2.744 20 0 GFADRL CC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)cc1 ZINC000828758106 601232634 /nfs/dbraw/zinc/23/26/34/601232634.db2.gz HGXUQCQHJAYIRO-JTQLQIEISA-N -2 0 380.422 2.615 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2ccc(C(=O)NC(C)C)c(C)c2)cc1C(=O)[O-] ZINC000832898563 601234093 /nfs/dbraw/zinc/23/40/93/601234093.db2.gz PCOPETZUFRRLSL-UHFFFAOYSA-N -2 0 380.422 2.534 20 0 GFADRL O=C([O-])[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cc(Cl)sc2Cl)C1 ZINC000833185826 601236198 /nfs/dbraw/zinc/23/61/98/601236198.db2.gz YXFMFIRDWUMOSO-NKWVEPMBSA-N -2 0 386.278 2.751 20 0 GFADRL COc1ccc(CNC(=O)c2nn(-c3ccc(F)cc3C)cc2[O-])cc1C(=O)[O-] ZINC000832341928 601243631 /nfs/dbraw/zinc/24/36/31/601243631.db2.gz PXCLFPPRNHSOKB-UHFFFAOYSA-N -2 0 399.378 2.662 20 0 GFADRL CCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000013262312 601318938 /nfs/dbraw/zinc/31/89/38/601318938.db2.gz RTDHMKCPAXDAGU-FMIVXFBMSA-N -2 0 388.445 2.725 20 0 GFADRL COC(=O)Nc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)ccc1F ZINC000066587889 601328106 /nfs/dbraw/zinc/32/81/06/601328106.db2.gz ZPMXJMHUXQCPOJ-UHFFFAOYSA-N -2 0 398.368 2.512 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)c(OC)c1OC ZINC000832419253 601330286 /nfs/dbraw/zinc/33/02/86/601330286.db2.gz FEJJUHSAKVKFKL-IZZDOVSWSA-N -2 0 393.417 2.611 20 0 GFADRL COc1ccc(-n2cc([O-])c(C(=O)N[C@@H](CC(=O)[O-])c3cccs3)n2)cc1 ZINC000832138747 601386825 /nfs/dbraw/zinc/38/68/25/601386825.db2.gz OOSPHWXJJCNGIP-ZDUSSCGKSA-N -2 0 387.417 2.594 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)ncc1Br ZINC000125949046 601396060 /nfs/dbraw/zinc/39/60/60/601396060.db2.gz OQHZNYBSBZMMFS-UHFFFAOYSA-N -2 0 377.241 2.713 20 0 GFADRL Cc1cc(C)c(C(=O)[O-])c(NS(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)c1 ZINC000751141932 601485797 /nfs/dbraw/zinc/48/57/97/601485797.db2.gz IXDOWZSGPWPSPI-UHFFFAOYSA-N -2 0 385.344 2.779 20 0 GFADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])s1 ZINC000829528421 601575637 /nfs/dbraw/zinc/57/56/37/601575637.db2.gz XWDVVICUVLAQMI-UHFFFAOYSA-N -3 0 399.446 2.663 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ccsc2C(=O)[O-])ccc1Cl ZINC000831354270 601827650 /nfs/dbraw/zinc/82/76/50/601827650.db2.gz XNAIAUADPKSGRY-UHFFFAOYSA-N -2 0 375.811 2.687 20 0 GFADRL COc1ccc(C(=O)[O-])c(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000737939283 601828832 /nfs/dbraw/zinc/82/88/32/601828832.db2.gz AFHUWGNDRHCUCX-UHFFFAOYSA-N -2 0 385.781 2.546 20 0 GFADRL CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c(O)c1 ZINC000740811908 601830063 /nfs/dbraw/zinc/83/00/63/601830063.db2.gz HTAQVSPJJPQZQM-UHFFFAOYSA-N -2 0 399.808 2.721 20 0 GFADRL Cc1ccc(Br)cc1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000832910356 601835741 /nfs/dbraw/zinc/83/57/41/601835741.db2.gz CLGVVOOGGGGZLV-UHFFFAOYSA-N -2 0 377.241 2.713 20 0 GFADRL Cn1c([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])nc2cc(Cl)ccc21 ZINC000833039453 601848036 /nfs/dbraw/zinc/84/80/36/601848036.db2.gz LFLTXGHYRVZVLC-UHFFFAOYSA-N -2 0 383.788 2.865 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)ccc1OC(F)F ZINC000470444556 601855001 /nfs/dbraw/zinc/85/50/01/601855001.db2.gz PIKHLPCUDSQRPO-UHFFFAOYSA-N -2 0 391.323 2.935 20 0 GFADRL Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3cccc(C(=O)[O-])c3O)cc2F)c1 ZINC000436993423 601860532 /nfs/dbraw/zinc/86/05/32/601860532.db2.gz BYBJFTFGKCBYNH-UHFFFAOYSA-N -2 0 391.380 2.524 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2cc(C3CCCCC3)nn2C)cc1C(=O)[O-] ZINC000832468989 601964441 /nfs/dbraw/zinc/96/44/41/601964441.db2.gz ZCQVUFFXVVPTHU-UHFFFAOYSA-N -2 0 393.465 2.975 20 0 GFADRL Cc1cc(S(=O)(=O)Nc2ccc(N(C)C(=O)[O-])cc2)cc(C(=O)[O-])c1F ZINC000832904431 601984911 /nfs/dbraw/zinc/98/49/11/601984911.db2.gz NCFVOYBXKXWDAE-UHFFFAOYSA-N -2 0 382.369 2.747 20 0 GFADRL O=C([O-])CCCc1nnc([N-]S(=O)(=O)c2ccc(Cl)cc2F)s1 ZINC000833232400 602105512 /nfs/dbraw/zinc/10/55/12/602105512.db2.gz RAIFJYWAWPAQJZ-UHFFFAOYSA-N -2 0 379.822 2.539 20 0 GFADRL O=C([O-])N1CCc2cc([N-]S(=O)(=O)c3cnn(Cc4ccccc4)c3)ccc21 ZINC000740529933 602244498 /nfs/dbraw/zinc/24/44/98/602244498.db2.gz POOYHDOGVUMYSF-UHFFFAOYSA-N -2 0 398.444 2.773 20 0 GFADRL O=C([O-])c1cc(Br)ccc1S(=O)(=O)[N-]c1cc(C2CC2)[nH]n1 ZINC000833296096 602306695 /nfs/dbraw/zinc/30/66/95/602306695.db2.gz QKOCAELQCBBXRJ-UHFFFAOYSA-N -2 0 386.227 2.549 20 0 GFADRL COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000392972369 602320713 /nfs/dbraw/zinc/32/07/13/602320713.db2.gz PVWBQUIUMUBWNV-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)NCCCOc2ccc3ccccc3c2)o1 ZINC000833323450 602327050 /nfs/dbraw/zinc/32/70/50/602327050.db2.gz SOBRQQUFWPQGGI-UHFFFAOYSA-N -2 0 375.402 2.878 20 0 GFADRL O=C([O-])CCCc1nnc([N-]C(=O)c2cc(-c3ccc(F)cc3)on2)s1 ZINC000833232128 602368300 /nfs/dbraw/zinc/36/83/00/602368300.db2.gz LPOWNYYEODJKRE-UHFFFAOYSA-N -2 0 376.369 2.992 20 0 GFADRL C[C@@](CC(=O)N[C@H](CNC(=O)[O-])C1CCCCC1)(C(=O)[O-])c1ccccc1 ZINC000738895511 602570440 /nfs/dbraw/zinc/57/04/40/602570440.db2.gz NGWXOXGIYRVOEC-UZLBHIALSA-N -2 0 376.453 2.752 20 0 GFADRL C[C@@H](C(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823711911 602805628 /nfs/dbraw/zinc/80/56/28/602805628.db2.gz GGCXLWFAARAIQI-ABAIWWIYSA-N -2 0 382.376 2.613 20 0 GFADRL C[C@@H](C(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823711912 602805738 /nfs/dbraw/zinc/80/57/38/602805738.db2.gz GGCXLWFAARAIQI-IAQYHMDHSA-N -2 0 382.376 2.613 20 0 GFADRL CCC(CC)CS(=O)(=O)[N-]C(=O)c1cc(Cl)c(NC(=O)[O-])cc1OC ZINC000826571889 603446809 /nfs/dbraw/zinc/44/68/09/603446809.db2.gz ODTKEKOIQWLXGP-UHFFFAOYSA-N -2 0 392.861 2.934 20 0 GFADRL CCS(=O)(=O)[N-]c1ccccc1C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000737226452 603452105 /nfs/dbraw/zinc/45/21/05/603452105.db2.gz NOOTYZWFGGAGMP-UHFFFAOYSA-N -2 0 391.449 2.511 20 0 GFADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CC[C@@H](NC(=O)[O-])[C@@H](C)C3)n2)cc1 ZINC000824463333 603659274 /nfs/dbraw/zinc/65/92/74/603659274.db2.gz HQQQSXQHYBJIIZ-XJKSGUPXSA-N -2 0 386.452 2.820 20 0 GFADRL C[C@H](C(=O)[N-]S(=O)(=O)/C=C/c1ccccc1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823701736 604210186 /nfs/dbraw/zinc/21/01/86/604210186.db2.gz GKDNDXVDFRISJW-YWBMLLQRSA-N -2 0 388.445 2.748 20 0 GFADRL Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)C[C@H](C)C2CCN(C(=O)[O-])CC2)c1 ZINC000830276013 604383308 /nfs/dbraw/zinc/38/33/08/604383308.db2.gz YTIWCDZEJIREQA-AWEZNQCLSA-N -2 0 382.482 2.525 20 0 GFADRL Cc1ccc(-c2nnc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)s2)c(C)c1 ZINC000832907843 604402585 /nfs/dbraw/zinc/40/25/85/604402585.db2.gz ODVNMZTVXLMUFR-UHFFFAOYSA-N -2 0 379.419 2.914 20 0 GFADRL COc1cc(Cl)ccc1S(=O)(=O)[N-]c1nc(CCC(=O)[O-])cs1 ZINC000832004778 604622077 /nfs/dbraw/zinc/62/20/77/604622077.db2.gz VCWDDVBRWMZWGQ-UHFFFAOYSA-N -2 0 376.843 2.623 20 0 GFADRL Cc1ccc(NS(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)c(C(=O)[O-])c1 ZINC000767732344 604631631 /nfs/dbraw/zinc/63/16/31/604631631.db2.gz CKKGTCPLNBODDE-UHFFFAOYSA-N -2 0 387.772 2.985 20 0 GFADRL O=C([O-])COc1ccc([N-]S(=O)(=O)c2ccc(F)cc2F)cc1Cl ZINC000833259728 604807365 /nfs/dbraw/zinc/80/73/65/604807365.db2.gz UAPGVQOHLNQLCW-UHFFFAOYSA-N -2 0 377.752 2.882 20 0 GFADRL Cc1cccc(-c2cncc(C(=O)[N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)c2)c1 ZINC000832959754 604883532 /nfs/dbraw/zinc/88/35/32/604883532.db2.gz ALDDNTPDXCHNSX-UHFFFAOYSA-N -2 0 396.424 2.874 20 0 GFADRL CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)c1 ZINC000747777570 604924029 /nfs/dbraw/zinc/92/40/29/604924029.db2.gz QEPRRUGBDGDRIS-UHFFFAOYSA-N -2 0 382.825 2.541 20 0 GFADRL CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCC(=O)[O-])cc2)s1 ZINC000269636065 604924315 /nfs/dbraw/zinc/92/43/15/604924315.db2.gz QJKZJIBMWVYXMT-UHFFFAOYSA-N -2 0 396.490 2.661 20 0 GFADRL CC(C)Cc1nnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)s1 ZINC000391399879 604988471 /nfs/dbraw/zinc/98/84/71/604988471.db2.gz AQHIDRGNHIOLNT-UHFFFAOYSA-N -2 0 375.859 2.889 20 0 GFADRL Cc1sc([N-]S(=O)(=O)c2cnn(-c3ccccn3)c2C)c(C(=O)[O-])c1C ZINC000833758060 605022669 /nfs/dbraw/zinc/02/26/69/605022669.db2.gz KIIOGXMMPANRLA-UHFFFAOYSA-N -2 0 392.462 2.753 20 0 GFADRL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000833741249 605124745 /nfs/dbraw/zinc/12/47/45/605124745.db2.gz DSSIRGWLKCERFK-UHFFFAOYSA-N -2 0 389.838 2.980 20 0 GFADRL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl ZINC000833741491 605127538 /nfs/dbraw/zinc/12/75/38/605127538.db2.gz PEXQZEKSSOTFJK-UHFFFAOYSA-N -2 0 388.810 2.643 20 0 GFADRL Cc1cnn(-c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2cc(F)ccc2F)c1 ZINC000833754627 605190845 /nfs/dbraw/zinc/19/08/45/605190845.db2.gz YUKATADVDGJSGO-UHFFFAOYSA-N -2 0 393.371 2.958 20 0 GFADRL CC(C)CN(CCC(=O)[O-])C(=O)c1cccc([N-]S(=O)(=O)C(F)(F)F)c1 ZINC000833488208 605227858 /nfs/dbraw/zinc/22/78/58/605227858.db2.gz MZJKWFQQNMHPDW-UHFFFAOYSA-N -2 0 396.387 2.521 20 0 GFADRL COc1ccc(O)c(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2C(=O)[O-])c1 ZINC000833733552 605240432 /nfs/dbraw/zinc/24/04/32/605240432.db2.gz KFOCOBFINONVLP-UHFFFAOYSA-N -2 0 391.323 2.919 20 0 GFADRL O=C([O-])c1n[nH]c2ccc(NC(=O)c3nn(-c4ccc(F)cc4)cc3[O-])cc21 ZINC000833770172 605527643 /nfs/dbraw/zinc/52/76/43/605527643.db2.gz ZCVYHUMOUZAYRG-UHFFFAOYSA-N -2 0 381.323 2.544 20 0 GFADRL Cc1nn2cc(S(=O)(=O)[N-]c3ccccc3NC(=O)[O-])cnc2c1Cl ZINC000833921435 606007001 /nfs/dbraw/zinc/00/70/01/606007001.db2.gz IWIILVGKENFSIG-UHFFFAOYSA-N -2 0 381.801 2.582 20 0 GFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cnc(Cl)c(Br)c2)cc1 ZINC000821116627 660316301 /nfs/dbraw/zinc/31/63/01/660316301.db2.gz RNEJMNXFIOQHPI-UHFFFAOYSA-N -2 0 391.630 2.997 20 0 GFADRL O=C([O-])C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000837292131 660983378 /nfs/dbraw/zinc/98/33/78/660983378.db2.gz OCIYIZVNBQROKF-BQBZGAKWSA-N -2 0 387.326 2.694 20 0 GFADRL C[C@@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000274950443 655208477 /nfs/dbraw/zinc/20/84/77/655208477.db2.gz HTFWYQCMAAQYDE-ZETCQYMHSA-N -2 0 386.214 2.649 20 0 GFADRL O=C([N-]NC(=O)c1cc(F)c([O-])c(F)c1)c1ccc(Br)s1 ZINC000186408933 655369330 /nfs/dbraw/zinc/36/93/30/655369330.db2.gz PZUBPHVWASFFIO-UHFFFAOYSA-N -2 0 377.166 2.569 20 0 GFADRL Cc1nc(Br)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000318455456 655381097 /nfs/dbraw/zinc/38/10/97/655381097.db2.gz DVSFUCLSZFMUQV-UHFFFAOYSA-N -2 0 389.202 2.791 20 0 GFADRL CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1Cl ZINC000327260587 655385884 /nfs/dbraw/zinc/38/58/84/655385884.db2.gz DEDXXOXLDFADGN-UHFFFAOYSA-N -2 0 386.788 2.937 20 0 GFADRL Cc1ccc(C(N)=O)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1Cl ZINC000753774773 655858377 /nfs/dbraw/zinc/85/83/77/655858377.db2.gz NMRWEXUUMCGHCU-UHFFFAOYSA-N -2 0 382.825 2.555 20 0 GFADRL Nc1ncc(Cl)cc1S(=O)(=O)[N-]c1cc2ccccc2c(C(=O)[O-])c1 ZINC000754758544 655872584 /nfs/dbraw/zinc/87/25/84/655872584.db2.gz KMPVEVGSWBBOET-UHFFFAOYSA-N -2 0 377.809 2.969 20 0 GFADRL Cn1cc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c(C(F)(F)F)n1 ZINC000766050600 656158781 /nfs/dbraw/zinc/15/87/81/656158781.db2.gz LJNKCCXBWUDUEA-UHFFFAOYSA-N -2 0 383.735 2.591 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)c(OC)c1 ZINC000767736883 656217999 /nfs/dbraw/zinc/21/79/99/656217999.db2.gz RJUORRNSTFRLPS-UHFFFAOYSA-N -2 0 389.788 2.995 20 0 GFADRL CN(CCNC(=O)c1cccc(Cl)c1[O-])C(=O)c1cccc(Cl)c1[O-] ZINC000783735709 657256042 /nfs/dbraw/zinc/25/60/42/657256042.db2.gz RXPCIUAIZFOECF-UHFFFAOYSA-N -2 0 383.231 2.907 20 0 GFADRL COC(=O)c1scc(C)c1S(=O)(=O)[N-]c1cc(F)c(C(=O)[O-])c(F)c1 ZINC000785489959 657368810 /nfs/dbraw/zinc/36/88/10/657368810.db2.gz WHEBQPYEUKTPIT-UHFFFAOYSA-N -2 0 391.373 2.620 20 0 GFADRL COc1cc(Cl)c(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)cc1C(=O)[O-] ZINC000790382263 657965355 /nfs/dbraw/zinc/96/53/55/657965355.db2.gz RBEKKPUMXDRKGC-UHFFFAOYSA-N -2 0 385.781 2.546 20 0 GFADRL COC(=O)c1csc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)c1C ZINC000793417590 658395127 /nfs/dbraw/zinc/39/51/27/658395127.db2.gz XPQKSYIPAFFJGM-UHFFFAOYSA-N -2 0 387.410 2.790 20 0 GFADRL O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1ccc(Cl)cc1F ZINC000852734790 661872663 /nfs/dbraw/zinc/87/26/63/661872663.db2.gz DFFAMRDXRHBLOH-RYUDHWBXSA-N -2 0 382.741 2.575 20 0 GFADRL O=C([O-])CC[C@H](C[N-]S(=O)(=O)c1c(Cl)ccnc1Cl)C(F)(F)F ZINC000853071462 661880954 /nfs/dbraw/zinc/88/09/54/661880954.db2.gz KZIBOGSULCESNY-ZCFIWIBFSA-N -2 0 395.186 2.710 20 0 GFADRL Cc1ccc(Cl)c(S(=O)(=O)[N-]C(=O)C2(CC(=O)[O-])CCC2)c1Cl ZINC000863961343 662351659 /nfs/dbraw/zinc/35/16/59/662351659.db2.gz MKAUDGYJOIEVJC-UHFFFAOYSA-N -2 0 380.249 2.752 20 0 GFADRL O=C([O-])CSc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccccc1 ZINC000912731603 664299837 /nfs/dbraw/zinc/29/98/37/664299837.db2.gz FRCYVRDQVUIYQU-UHFFFAOYSA-N -2 0 375.431 2.607 20 0 GFADRL CC(C)n1cc(S(=O)(=O)[N-]c2ccc(Br)c(C(=O)[O-])c2)cn1 ZINC000161755846 551598374 /nfs/dbraw/zinc/59/83/74/551598374.db2.gz QJDAURRXCJSOFM-UHFFFAOYSA-N -2 0 388.243 2.726 20 0 GFADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2-c2nc[nH]n2)c1 ZINC000371368477 563275543 /nfs/dbraw/zinc/27/55/43/563275543.db2.gz HFEXIZTUMZUDEB-UHFFFAOYSA-N -2 0 378.797 2.624 20 0 GFADRL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)C[C@H](CC(C)C)OC ZINC000421161928 563299035 /nfs/dbraw/zinc/29/90/35/563299035.db2.gz YKZFJDQCRBBKSV-NSHDSACASA-N -2 0 377.434 2.725 20 0 GFADRL O=C([O-])c1ccc(Br)c(NS(=O)(=O)c2c[nH]c3ncccc32)c1 ZINC000322785082 563449711 /nfs/dbraw/zinc/44/97/11/563449711.db2.gz KAZOYUNYRHJRSA-UHFFFAOYSA-N -2 0 396.222 2.824 20 0 GFADRL COc1cc(F)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)cc1OC ZINC000326786849 563455777 /nfs/dbraw/zinc/45/57/77/563455777.db2.gz PAFWJJJERXVEAJ-UHFFFAOYSA-N -2 0 389.788 2.995 20 0 GFADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000326988693 563456673 /nfs/dbraw/zinc/45/66/73/563456673.db2.gz MJKJTQDQANJXJV-UHFFFAOYSA-N -2 0 387.772 2.985 20 0 GFADRL O=C([O-])C[C@H](CC[N-]S(=O)(=O)c1c(Cl)ccnc1Cl)C(F)(F)F ZINC000285301254 563513984 /nfs/dbraw/zinc/51/39/84/563513984.db2.gz YEJXUWSMHRRISI-LURJTMIESA-N -2 0 395.186 2.710 20 0 GFADRL CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1C ZINC000393214782 563528820 /nfs/dbraw/zinc/52/88/20/563528820.db2.gz OCFHMVYLKJAZIE-UHFFFAOYSA-N -2 0 382.825 2.507 20 0 GFADRL Cn1cc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)c(C(=O)[O-])c2)cc1C(=O)[O-] ZINC000443375351 563803109 /nfs/dbraw/zinc/80/31/09/563803109.db2.gz NRHJCKNYOUHQOS-UHFFFAOYSA-N -3 0 393.204 2.529 20 0 GFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])cc1OC ZINC000447777318 563885845 /nfs/dbraw/zinc/88/58/45/563885845.db2.gz NQGWXZJMHQGSFK-UHFFFAOYSA-N -2 0 389.788 2.995 20 0 GFADRL COc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c(C(=O)[O-])c1 ZINC000507603709 564234668 /nfs/dbraw/zinc/23/46/68/564234668.db2.gz KATZFSMBEWAFDT-UHFFFAOYSA-N -2 0 385.781 2.546 20 0 GFADRL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000476409089 564338238 /nfs/dbraw/zinc/33/82/38/564338238.db2.gz BIPWLKWQZMVYRI-UHFFFAOYSA-N -2 0 383.809 2.775 20 0 GFADRL O=C([O-])c1cc(F)c(F)cc1[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000545368055 564419787 /nfs/dbraw/zinc/41/97/87/564419787.db2.gz UIBVVEOPTPDUIQ-UHFFFAOYSA-N -2 0 382.138 2.819 20 0 GFADRL Cc1c(Cl)cc(S(=O)(=O)Nc2ccc(CC(=O)[O-])cc2)cc1C(=O)[O-] ZINC000479280854 564434919 /nfs/dbraw/zinc/43/49/19/564434919.db2.gz KOAYMOQNTUWXNG-UHFFFAOYSA-N -2 0 383.809 2.775 20 0 GFADRL CO[C@H](CS(=O)(=O)[N-]c1cc(Br)cc(Cl)c1[O-])C1CC1 ZINC000514937218 564462983 /nfs/dbraw/zinc/46/29/83/564462983.db2.gz COPQMPZHEQWRIA-LLVKDONJSA-N -2 0 384.679 2.975 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2C(=O)[O-])cs1 ZINC000547546646 564492384 /nfs/dbraw/zinc/49/23/84/564492384.db2.gz KOOMUILCZBBQKA-UHFFFAOYSA-N -2 0 375.811 2.687 20 0 GFADRL COc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C(=O)[O-])c1 ZINC000547577258 564496708 /nfs/dbraw/zinc/49/67/08/564496708.db2.gz IIFBSEZDYJCGKI-UHFFFAOYSA-N -2 0 386.769 2.756 20 0 GFADRL C[C@H](CCC(=O)[O-])CNS(=O)(=O)c1cc(Br)sc1Cl ZINC000547891944 564516818 /nfs/dbraw/zinc/51/68/18/564516818.db2.gz SAHUWIVCYQPESF-ZCFIWIBFSA-N -2 0 390.708 2.943 20 0 GFADRL Cc1cc(C(=O)NC(C)C)ccc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000517121741 564525537 /nfs/dbraw/zinc/52/55/37/564525537.db2.gz AIQJSVKHMBMDJQ-UHFFFAOYSA-N -2 0 382.463 2.694 20 0 GFADRL Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000548208930 564536385 /nfs/dbraw/zinc/53/63/85/564536385.db2.gz VPSUNLYSHCXXTM-UHFFFAOYSA-N -2 0 385.239 2.960 20 0 GFADRL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1c(F)cccc1F)Cc1cccc(Cl)c1 ZINC000548209777 564536702 /nfs/dbraw/zinc/53/67/02/564536702.db2.gz WSZIZBRVQYBQHR-LLVKDONJSA-N -2 0 389.807 2.840 20 0 GFADRL C[C@@H](Cc1ccc([N-]S(=O)(=O)c2ccc(Br)cn2)cc1)C(=O)[O-] ZINC000571709723 564562642 /nfs/dbraw/zinc/56/26/42/564562642.db2.gz RMXGTMKCTQBHIC-JTQLQIEISA-N -2 0 399.266 2.908 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2ccc(Br)cc2O)ccc1C(=O)[O-] ZINC000571946242 564573416 /nfs/dbraw/zinc/57/34/16/564573416.db2.gz XJYOQXPONMFMGV-UHFFFAOYSA-N -2 0 386.223 2.962 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)cs1 ZINC000484526492 564590090 /nfs/dbraw/zinc/59/00/90/564590090.db2.gz NHXJOHKQNTZQQV-UHFFFAOYSA-N -2 0 375.811 2.687 20 0 GFADRL COCCCOc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000520627802 564609338 /nfs/dbraw/zinc/60/93/38/564609338.db2.gz XNSHFSAEIKEUKA-UHFFFAOYSA-N -2 0 385.463 2.971 20 0 GFADRL Cc1ccc([N-]S(=O)(=O)c2c(Cl)cnn2C)c(SCCC(=O)[O-])c1 ZINC000485389201 564613233 /nfs/dbraw/zinc/61/32/33/564613233.db2.gz KAUKQCJKDSXLPK-UHFFFAOYSA-N -2 0 389.886 2.750 20 0 GFADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)c(F)c(F)c1 ZINC000525482100 564702914 /nfs/dbraw/zinc/70/29/14/564702914.db2.gz ALDZNIGPXRFOFK-UHFFFAOYSA-N -2 0 375.324 2.540 20 0 GFADRL CNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000489731035 564750688 /nfs/dbraw/zinc/75/06/88/564750688.db2.gz BSKPVQCTWVYCBV-UHFFFAOYSA-N -2 0 383.813 2.590 20 0 GFADRL Nc1c([N-]S(=O)(=O)c2cccs2)cc(Br)cc1C(=O)[O-] ZINC000582859531 564865336 /nfs/dbraw/zinc/86/53/36/564865336.db2.gz PKXMMBOIQDTOCH-UHFFFAOYSA-N -2 0 377.241 2.592 20 0 GFADRL Cc1ncsc1[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000530338154 564876954 /nfs/dbraw/zinc/87/69/54/564876954.db2.gz ZEOKIAYNQBSXFB-SNVBAGLBSA-N -2 0 381.262 2.863 20 0 GFADRL CCc1ncc(S(=O)(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)s1 ZINC000560078372 564948816 /nfs/dbraw/zinc/94/88/16/564948816.db2.gz NQZUPHPAFVAYSV-MRXNPFEDSA-N -2 0 376.459 2.963 20 0 GFADRL O=C([O-])COc1ccc(/C=C/c2cc(C(=O)[O-])ncn2)cc1Br ZINC000534145721 564981261 /nfs/dbraw/zinc/98/12/61/564981261.db2.gz KJTHOPIQQUOMTB-HNQUOIGGSA-N -2 0 379.166 2.571 20 0 GFADRL COc1cc(S(=O)(=O)[N-]c2cc(F)ccc2O)c(Cl)cc1C(=O)[O-] ZINC000468840245 564995249 /nfs/dbraw/zinc/99/52/49/564995249.db2.gz FZYNENAWLJHOAQ-UHFFFAOYSA-N -2 0 375.761 2.692 20 0 GFADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000535892082 565023757 /nfs/dbraw/zinc/02/37/57/565023757.db2.gz KEJZSBUOIWKTSO-UHFFFAOYSA-N -2 0 379.287 2.751 20 0 GFADRL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)NC[C@@H](OC)C1CCCC1 ZINC000663429456 565419937 /nfs/dbraw/zinc/41/99/37/565419937.db2.gz CATBJLPRMKNADC-CYBMUJFWSA-N -2 0 391.873 2.530 20 0 GFADRL CS(=O)(=O)[N-]c1cc(F)ccc1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000671166803 565754344 /nfs/dbraw/zinc/75/43/44/565754344.db2.gz HBTINMSGFQZILH-UHFFFAOYSA-N -2 0 396.824 2.791 20 0 GFADRL CCO[C@@H](CS(=O)(=O)[N-]c1c(OC)ccc(Cl)c1C(=O)[O-])C1CC1 ZINC000629288202 565836335 /nfs/dbraw/zinc/83/63/35/565836335.db2.gz DBWCPHMIWVDZRG-LBPRGKRZSA-N -2 0 377.846 2.604 20 0 GFADRL COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc2c(c1)[nH]cc2C(=O)[O-] ZINC000609286845 566034585 /nfs/dbraw/zinc/03/45/85/566034585.db2.gz ZMKZOEGBTKVFSU-UHFFFAOYSA-N -2 0 380.403 2.515 20 0 GFADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])s1 ZINC000609985479 566060687 /nfs/dbraw/zinc/06/06/87/566060687.db2.gz XEFFTQLTMFYCKA-UHFFFAOYSA-N -2 0 375.811 2.687 20 0 GFADRL O=C([O-])c1ccc(NS(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)c(F)c1 ZINC000767738751 597514105 /nfs/dbraw/zinc/51/41/05/597514105.db2.gz PLTQHOYVYXJUEH-UHFFFAOYSA-N -2 0 391.735 2.815 20 0 GFADRL O=C([O-])Cc1ccccc1[N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000821537753 597739798 /nfs/dbraw/zinc/73/97/98/597739798.db2.gz GGYSNUJBPAGYFT-UHFFFAOYSA-N -2 0 381.278 2.810 20 0 GFADRL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)CCC2 ZINC000737716603 599814382 /nfs/dbraw/zinc/81/43/82/599814382.db2.gz CFUNAQRYJWVGEE-UHFFFAOYSA-N -2 0 381.431 2.522 20 0 GFADRL CCOCc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C(=O)OC)c1 ZINC000737177792 599815623 /nfs/dbraw/zinc/81/56/23/599815623.db2.gz KRHFYVXTUPIWHW-UHFFFAOYSA-N -2 0 393.417 2.509 20 0 GFADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000324663988 599850334 /nfs/dbraw/zinc/85/03/34/599850334.db2.gz LUNCSIZKYHJWLA-UHFFFAOYSA-N -2 0 377.346 2.532 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2cc3c(cc2Cl)OCCO3)c(C(=O)[O-])c1 ZINC000504650254 599926602 /nfs/dbraw/zinc/92/66/02/599926602.db2.gz MVYHWWWQXQFUCL-UHFFFAOYSA-N -2 0 399.808 2.619 20 0 GFADRL CC(C)COc1ccccc1C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000736449030 599982409 /nfs/dbraw/zinc/98/24/09/599982409.db2.gz VYYLBGBHCWEPNL-UHFFFAOYSA-N -2 0 377.418 2.538 20 0 GFADRL CCn1c(=O)c2ccc(C(=O)Oc3cccc(CC(=O)[O-])c3)cc2[n-]c1=S ZINC000737296029 600027408 /nfs/dbraw/zinc/02/74/08/600027408.db2.gz RRXKLVZDVXEAMR-UHFFFAOYSA-N -2 0 384.413 2.551 20 0 GFADRL Cc1cccc(S(=O)(=O)[N-]c2nc(CN3CCCCC3)cs2)c1C(=O)[O-] ZINC000738747608 600054213 /nfs/dbraw/zinc/05/42/13/600054213.db2.gz ZCZFNYOPFIWICY-UHFFFAOYSA-N -2 0 395.506 2.936 20 0 GFADRL O=C([O-])Nc1cccc(C(=O)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000740034560 600056579 /nfs/dbraw/zinc/05/65/79/600056579.db2.gz WTQDPPVKCCBTKQ-UHFFFAOYSA-N -2 0 388.323 2.914 20 0 GFADRL Cc1cc(C(=O)[O-])c2sc([N-]S(=O)(=O)c3ccc(Cl)nc3)nc2n1 ZINC000738346362 600102237 /nfs/dbraw/zinc/10/22/37/600102237.db2.gz RMYSSRXICLRPFC-UHFFFAOYSA-N -2 0 384.826 2.547 20 0 GFADRL Cc1nc(-c2ccc([N-]S(=O)(=O)c3n[nH]c(C)c3C(=O)[O-])cc2)cs1 ZINC000738830029 600231553 /nfs/dbraw/zinc/23/15/53/600231553.db2.gz SCAQBUHENXLTIE-UHFFFAOYSA-N -2 0 378.435 2.649 20 0 GFADRL COC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cc1C ZINC000737700404 600234808 /nfs/dbraw/zinc/23/48/08/600234808.db2.gz TUXRMYBBEAPFNN-UHFFFAOYSA-N -2 0 385.344 2.559 20 0 GFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)c(OC(F)F)c1 ZINC000740154621 600237758 /nfs/dbraw/zinc/23/77/58/600237758.db2.gz IXFLROLONDEVKQ-UHFFFAOYSA-N -2 0 385.344 2.817 20 0 GFADRL Cc1cnc([N-]S(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2)s1 ZINC000738802007 600360880 /nfs/dbraw/zinc/36/08/80/600360880.db2.gz GRCNPNNXMVTEHS-UHFFFAOYSA-N -2 0 377.241 2.713 20 0 GFADRL Cc1cccc2sc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c(Cl)c21 ZINC000738750117 600463294 /nfs/dbraw/zinc/46/32/94/600463294.db2.gz QBPPBLQBZGPQMB-UHFFFAOYSA-N -2 0 375.855 2.788 20 0 GFADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cnn(CC(F)(F)F)c2)c1 ZINC000118301406 600482372 /nfs/dbraw/zinc/48/23/72/600482372.db2.gz UDIDSHPBPWOWHN-UHFFFAOYSA-N -2 0 383.735 2.598 20 0 GFADRL CC1=C(C(=O)[O-])[C@H](c2cnn(C(C)C)c2)NC(=O)N1Cc1ccc(C(=O)[O-])cc1 ZINC000736749861 600487713 /nfs/dbraw/zinc/48/77/13/600487713.db2.gz FZTSJEVMDHOLGH-KRWDZBQOSA-N -2 0 398.419 2.787 20 0 GFADRL O=C([O-])CCCOc1ccc([N-]S(=O)(=O)c2c[nH]c3ncccc23)cc1 ZINC000739687593 600489775 /nfs/dbraw/zinc/48/97/75/600489775.db2.gz SOIAYQJDVWHYLX-UHFFFAOYSA-N -2 0 375.406 2.607 20 0 GFADRL O=C([O-])CCOc1ccc(NS(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])cc1 ZINC000739739981 600545976 /nfs/dbraw/zinc/54/59/76/600545976.db2.gz ROLDOJPRLIDJBH-UHFFFAOYSA-N -2 0 399.808 2.693 20 0 GFADRL CC(=O)N1CCCc2ccc(S(=O)(=O)[N-]c3cc(C)c(C(=O)[O-])s3)cc21 ZINC000736133977 600633953 /nfs/dbraw/zinc/63/39/53/600633953.db2.gz IGSZEMFEVUJDQX-UHFFFAOYSA-N -2 0 394.474 2.855 20 0 GFADRL CCOC(=O)c1cc2cc([N-]S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)ccc2s1 ZINC000513816983 600674227 /nfs/dbraw/zinc/67/42/27/600674227.db2.gz YHKXAMAGJMBPTC-UHFFFAOYSA-N -2 0 394.430 2.905 20 0 GFADRL O=C([O-])Nc1ccc([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)cc1 ZINC000833289369 600676613 /nfs/dbraw/zinc/67/66/13/600676613.db2.gz FWECOCCHWXKDJQ-UHFFFAOYSA-N -2 0 383.769 2.665 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OCCCC(=O)[O-])cc2)cs1 ZINC000831348380 600682974 /nfs/dbraw/zinc/68/29/74/600682974.db2.gz GULDOIMVUXAANX-UHFFFAOYSA-N -2 0 399.446 2.579 20 0 GFADRL O=C([O-])c1ccc([N-]S(=O)(=O)C[C@H]2CCCCO2)c(OCC(F)(F)F)c1 ZINC000740155801 600694100 /nfs/dbraw/zinc/69/41/00/600694100.db2.gz UFYANDRFQASRJL-LLVKDONJSA-N -2 0 397.371 2.637 20 0 GFADRL CCCCN1Cc2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])n(C)c3)c2C1 ZINC000829395479 600814506 /nfs/dbraw/zinc/81/45/06/600814506.db2.gz GOTAFKXGJLVLGC-UHFFFAOYSA-N -2 0 377.466 2.640 20 0 GFADRL CCCN(CC)c1ccc(C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])cc1 ZINC000829487128 600937947 /nfs/dbraw/zinc/93/79/47/600937947.db2.gz UOWCXGAGPIMYMG-UHFFFAOYSA-N -2 0 396.490 2.801 20 0 GFADRL CC[C@](NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1)(C(=O)[O-])c1ccccc1 ZINC000828958015 600938589 /nfs/dbraw/zinc/93/85/89/600938589.db2.gz OJSAVAYTOVOMKX-OAQYLSRUSA-N -2 0 379.416 2.594 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCSc3ccccc32)s1 ZINC000833324818 600941401 /nfs/dbraw/zinc/94/14/01/600941401.db2.gz LZTJRUBRPXUABM-JTQLQIEISA-N -2 0 383.472 2.531 20 0 GFADRL C[C@H](CCc1ccccc1F)C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000827428010 600943401 /nfs/dbraw/zinc/94/34/01/600943401.db2.gz QDSVIKXGVCCGGW-CYBMUJFWSA-N -2 0 393.436 2.739 20 0 GFADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)c2ccc(OC3CCC3)cc2)cc1 ZINC000833317343 600944276 /nfs/dbraw/zinc/94/42/76/600944276.db2.gz QPZHSNDCPDPYJG-UHFFFAOYSA-N -2 0 389.429 2.576 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2nc(CN3CCCCC3)cs2)cs1 ZINC000833306077 600977427 /nfs/dbraw/zinc/97/74/27/600977427.db2.gz BQXGDZZMQRVUOO-UHFFFAOYSA-N -2 0 387.508 2.690 20 0 GFADRL Cc1c(S(=O)(=O)[N-]c2cnccc2C(=O)[O-])cnn1-c1ccc(Cl)cc1 ZINC000832855962 600984133 /nfs/dbraw/zinc/98/41/33/600984133.db2.gz IXDBQMKLACWKAU-UHFFFAOYSA-N -2 0 392.824 2.728 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cn2)cc1C(=O)[O-] ZINC000832468728 600988206 /nfs/dbraw/zinc/98/82/06/600988206.db2.gz NPTYERUVISIFGR-UHFFFAOYSA-N -2 0 377.205 2.896 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2cnn(-c3ccc(Cl)cc3)c2C)c(C(=O)[O-])[nH]1 ZINC000738463423 601048993 /nfs/dbraw/zinc/04/89/93/601048993.db2.gz BOSQRMKMEDDUGE-UHFFFAOYSA-N -2 0 394.840 2.970 20 0 GFADRL CCCCCn1nc(C)cc1[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC000829373381 601201670 /nfs/dbraw/zinc/20/16/70/601201670.db2.gz UUJYPFGXRSWCJR-UHFFFAOYSA-N -2 0 387.483 2.951 20 0 GFADRL CCCCCn1nc(C)cc1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC000829373127 601201681 /nfs/dbraw/zinc/20/16/81/601201681.db2.gz GXWJJCFYFRELIR-UHFFFAOYSA-N -2 0 381.454 2.889 20 0 GFADRL Cc1oc(S(=O)(=O)NCc2ccccc2OCC(F)(F)F)cc1C(=O)[O-] ZINC000645955965 601217614 /nfs/dbraw/zinc/21/76/14/601217614.db2.gz MMVPYWMNPYZCGZ-UHFFFAOYSA-N -2 0 393.339 2.706 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2ccc(Oc3ncccn3)cc2C)cc1C(=O)[O-] ZINC000832901432 601233043 /nfs/dbraw/zinc/23/30/43/601233043.db2.gz WJXZWPJNHGWHDQ-UHFFFAOYSA-N -2 0 389.389 2.978 20 0 GFADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N[C@H](CC(=O)[O-])c2ccccc2)n1 ZINC000769515224 601271406 /nfs/dbraw/zinc/27/14/06/601271406.db2.gz BJILHCXWYDVVAQ-OAHLLOKOSA-N -2 0 383.379 2.971 20 0 GFADRL COC(=O)c1c(F)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000519217402 601330101 /nfs/dbraw/zinc/33/01/01/601330101.db2.gz FQXZCCFGTRACFW-UHFFFAOYSA-N -2 0 381.381 2.728 20 0 GFADRL O=C([O-])/C=C/c1ccc(S(=O)(=O)N2CCCc3cc(C(=O)[O-])ccc32)cc1 ZINC000833197563 601330869 /nfs/dbraw/zinc/33/08/69/601330869.db2.gz RJLBIEVBCPOXBJ-BJMVGYQFSA-N -2 0 387.413 2.624 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Br)cc2O)ccc1F ZINC000738678862 601333102 /nfs/dbraw/zinc/33/31/02/601333102.db2.gz OUEIATFDMVHLBH-UHFFFAOYSA-N -2 0 390.186 2.793 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccn2)sc1Br ZINC000123580201 601338229 /nfs/dbraw/zinc/33/82/29/601338229.db2.gz GUFORPMFPPLLSL-UHFFFAOYSA-N -2 0 377.241 2.713 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)ncc1Br ZINC000125948812 601396082 /nfs/dbraw/zinc/39/60/82/601396082.db2.gz STNFXYOZKSBNOV-UHFFFAOYSA-N -2 0 377.241 2.713 20 0 GFADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])n1 ZINC000832889250 601483563 /nfs/dbraw/zinc/48/35/63/601483563.db2.gz GTFJSTSLHMTFSC-IBGZPJMESA-N -2 0 395.390 2.850 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2cnn(-c3ccccc3F)c2)ccc1C(=O)[O-] ZINC000507986970 601491834 /nfs/dbraw/zinc/49/18/34/601491834.db2.gz WNAGEMGYKQAJDY-UHFFFAOYSA-N -2 0 375.381 2.819 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2cc(Br)ccc2O)cc1C(=O)[O-] ZINC000833027018 601575251 /nfs/dbraw/zinc/57/52/51/601575251.db2.gz NGGIOPKCOFUOKL-UHFFFAOYSA-N -2 0 376.184 2.555 20 0 GFADRL Cc1cc(Br)ncc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000832858745 601576787 /nfs/dbraw/zinc/57/67/87/601576787.db2.gz FKJACGXHWFQGFH-UHFFFAOYSA-N -2 0 377.241 2.713 20 0 GFADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)CCCc2ccc(F)c(F)c2)cc1 ZINC000833098591 601598573 /nfs/dbraw/zinc/59/85/73/601598573.db2.gz YCKYRBQHBOVCSJ-UHFFFAOYSA-N -2 0 397.399 2.632 20 0 GFADRL CC[C@@H](NC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccccc1)C(=O)[O-] ZINC000676218859 601750758 /nfs/dbraw/zinc/75/07/58/601750758.db2.gz FCNOWWHSCKBKQA-CQSZACIVSA-N -2 0 396.852 2.734 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(-c3cccs3)[nH]n2)cc(F)c1F ZINC000754827606 601768927 /nfs/dbraw/zinc/76/89/27/601768927.db2.gz OESPAOBJTBQPMI-UHFFFAOYSA-N -2 0 385.373 2.915 20 0 GFADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ccc(N2CCCC2)c(Cl)c1 ZINC000833345787 601769421 /nfs/dbraw/zinc/76/94/21/601769421.db2.gz XNNIKCRMGAPGOB-UHFFFAOYSA-N -2 0 387.870 2.896 20 0 GFADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ccc2c(c1)nc1n2CCCCC1 ZINC000833346163 601769515 /nfs/dbraw/zinc/76/95/15/601769515.db2.gz KYAVKDJZYSBGTI-UHFFFAOYSA-N -2 0 392.462 2.718 20 0 GFADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2c(-c3cccnc3)nc3ccccn32)c1 ZINC000833335009 601770484 /nfs/dbraw/zinc/77/04/84/601770484.db2.gz YVCVNRLOLRITFU-UHFFFAOYSA-N -2 0 394.412 2.895 20 0 GFADRL O=C([O-])CCCc1csc([N-]S(=O)(=O)c2cccc3cccnc32)n1 ZINC000833229544 601772678 /nfs/dbraw/zinc/77/26/78/601772678.db2.gz HJNYOUYTACWOFL-UHFFFAOYSA-N -2 0 377.447 2.899 20 0 GFADRL O=C([O-])CCCc1csc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)n1 ZINC000833229948 601772687 /nfs/dbraw/zinc/77/26/87/601772687.db2.gz UADSDKJLEBFHOH-UHFFFAOYSA-N -2 0 380.369 2.769 20 0 GFADRL Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000063877442 601832203 /nfs/dbraw/zinc/83/22/03/601832203.db2.gz GDQMSYPBMXNELE-UHFFFAOYSA-N -2 0 387.772 2.985 20 0 GFADRL CCOc1cc([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])ccc1OC ZINC000830049471 601835800 /nfs/dbraw/zinc/83/58/00/601835800.db2.gz CWMDKPHHLPXPBD-UHFFFAOYSA-N -2 0 386.813 2.641 20 0 GFADRL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c1 ZINC000738630302 601986749 /nfs/dbraw/zinc/98/67/49/601986749.db2.gz KXIRQDTUSYYZKV-UHFFFAOYSA-N -2 0 387.772 2.605 20 0 GFADRL CCC[C@H](C)c1cc([N-]S(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)n[nH]1 ZINC000829216513 602102546 /nfs/dbraw/zinc/10/25/46/602102546.db2.gz NLPAKQFIAIRVLI-LBPRGKRZSA-N -2 0 381.454 2.968 20 0 GFADRL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cc(CC3CCCCC3)[nH]n2)cc1 ZINC000833259428 602104026 /nfs/dbraw/zinc/10/40/26/602104026.db2.gz OGSAOIIFIYQVGX-UHFFFAOYSA-N -2 0 393.465 2.797 20 0 GFADRL O=C([O-])CCCc1nnc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)s1 ZINC000833232490 602107457 /nfs/dbraw/zinc/10/74/57/602107457.db2.gz WLFFQLLZQQEVPE-UHFFFAOYSA-N -2 0 381.479 2.625 20 0 GFADRL O=C([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(Br)nc1 ZINC000833317886 602157992 /nfs/dbraw/zinc/15/79/92/602157992.db2.gz NVONGTBJIIWDFO-UHFFFAOYSA-N -2 0 391.630 2.997 20 0 GFADRL COc1cc(OC)c(OC)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000532465906 602202934 /nfs/dbraw/zinc/20/29/34/602202934.db2.gz SITFWDMEEQNDHY-UHFFFAOYSA-N -2 0 395.433 2.828 20 0 GFADRL COc1cc(NC(=O)CC2(C(=O)[O-])Cc3ccccc3C2)ccc1NC(=O)[O-] ZINC000739865632 602294599 /nfs/dbraw/zinc/29/45/99/602294599.db2.gz KSJJCGKYVNBSIP-UHFFFAOYSA-N -2 0 384.388 2.984 20 0 GFADRL CCCc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Br)n[nH]1 ZINC000317307092 602305323 /nfs/dbraw/zinc/30/53/23/602305323.db2.gz BCDPBXKSTVLNOH-UHFFFAOYSA-N -2 0 388.243 2.624 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(C3CC3)[nH]n2)ccc1Br ZINC000833304244 602307245 /nfs/dbraw/zinc/30/72/45/602307245.db2.gz WLMRGPKRQHASCW-UHFFFAOYSA-N -2 0 386.227 2.549 20 0 GFADRL COc1ccc(O)c([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])c1 ZINC000832425489 602310082 /nfs/dbraw/zinc/31/00/82/602310082.db2.gz YKLRAVDHWOWHJR-UHFFFAOYSA-N -2 0 391.323 2.919 20 0 GFADRL COC(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])cc1F ZINC000831434763 602322244 /nfs/dbraw/zinc/32/22/44/602322244.db2.gz BKZWKFLNVDECCL-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL O=C([O-])Nc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cn2)c(Cl)c1 ZINC000740700559 602965342 /nfs/dbraw/zinc/96/53/42/602965342.db2.gz QOZXTHGGVJLUMX-UHFFFAOYSA-N -2 0 390.204 2.597 20 0 GFADRL O=C([O-])Nc1ccccc1[N-]S(=O)(=O)c1ccc(N2CCOC2=O)cc1 ZINC000740716843 602972279 /nfs/dbraw/zinc/97/22/79/602972279.db2.gz OXRWOPUDYFBBJC-UHFFFAOYSA-N -2 0 377.378 2.534 20 0 GFADRL CN(C(=O)[O-])c1ccc(OC(=O)c2cc(F)ccc2[N-]S(C)(=O)=O)cc1 ZINC000827913917 603040796 /nfs/dbraw/zinc/04/07/96/603040796.db2.gz AQJGCPDZPZIOEC-UHFFFAOYSA-N -2 0 382.369 2.531 20 0 GFADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CCC[C@@H](CNC(=O)[O-])C3)n2)cc1 ZINC000738877828 603147653 /nfs/dbraw/zinc/14/76/53/603147653.db2.gz PLJYTSJYZNKFCZ-AWEZNQCLSA-N -2 0 386.452 2.821 20 0 GFADRL C[C@@H](NC(=O)[O-])c1ccc(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000825449585 603400697 /nfs/dbraw/zinc/40/06/97/603400697.db2.gz UJEKEXQDTJRUIM-SECBINFHSA-N -2 0 382.369 2.653 20 0 GFADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CC[C@@H](CN(C)C(=O)[O-])C3)n2)c1 ZINC000824470833 603839217 /nfs/dbraw/zinc/83/92/17/603839217.db2.gz VIQKGNKRQFHTIG-AWEZNQCLSA-N -2 0 386.452 2.773 20 0 GFADRL C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000825639363 604157656 /nfs/dbraw/zinc/15/76/56/604157656.db2.gz SFPCCFRWPWPSQY-WPXLMEDKSA-N -2 0 380.466 2.505 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)[C@@H](NC(=O)[O-])c2ccccc2)s1 ZINC000830415409 604210897 /nfs/dbraw/zinc/21/08/97/604210897.db2.gz RDXGIRKEDFUSFU-BXUZGUMPSA-N -2 0 382.463 2.506 20 0 GFADRL C[C@H](CC(=O)[N-]S(=O)(=O)/C=C/c1ccccc1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824679950 604394345 /nfs/dbraw/zinc/39/43/45/604394345.db2.gz POZDKRFDXRIHDD-ASVHUPRUSA-N -2 0 380.466 2.520 20 0 GFADRL C[C@H](CC(=O)[N-]S(=O)(=O)c1ccccc1Cl)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824680457 604394382 /nfs/dbraw/zinc/39/43/82/604394382.db2.gz VZLXDGMAXXNXQQ-VXGBXAGGSA-N -2 0 388.873 2.561 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]C(=O)C[C@H](C)[C@H]2CCCN(C(=O)[O-])C2)c(C)s1 ZINC000830133527 604415423 /nfs/dbraw/zinc/41/54/23/604415423.db2.gz WDPUVKNUUZMYNK-GWCFXTLKSA-N -2 0 388.511 2.586 20 0 GFADRL Cc1cnn(-c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2cncc(Cl)c2)c1 ZINC000833754344 604533917 /nfs/dbraw/zinc/53/39/17/604533917.db2.gz MJGAUQHMFZVTQI-UHFFFAOYSA-N -2 0 392.824 2.728 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)Nc2cccc(F)c2C(=O)[O-])cc(Cl)c1F ZINC000767732775 604631698 /nfs/dbraw/zinc/63/16/98/604631698.db2.gz IRIQPSPBJJRLCR-UHFFFAOYSA-N -2 0 391.735 2.815 20 0 GFADRL CC(C)(C)OC(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC000833444932 604700691 /nfs/dbraw/zinc/70/06/91/604700691.db2.gz MYBOPYKYSWIYSN-UHFFFAOYSA-N -2 0 393.421 2.928 20 0 GFADRL CN(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cc1 ZINC000830518365 604767344 /nfs/dbraw/zinc/76/73/44/604767344.db2.gz AQTWHXYOZARTSS-UHFFFAOYSA-N -3 0 384.797 2.953 20 0 GFADRL O=C([O-])C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c2ccccc21 ZINC000370710495 604769264 /nfs/dbraw/zinc/76/92/64/604769264.db2.gz ZIHRRZMBEBPGCB-NSHDSACASA-N -2 0 395.820 2.805 20 0 GFADRL O=C([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccn(CC(F)(F)F)n1 ZINC000833317751 604793874 /nfs/dbraw/zinc/79/38/74/604793874.db2.gz FUWGMWLFOUWMQM-UHFFFAOYSA-N -2 0 383.735 2.598 20 0 GFADRL Cc1ccc(-c2n[nH]c([N-]S(=O)(=O)c3cc(F)ccc3C(=O)[O-])c2C)o1 ZINC000832906808 604809239 /nfs/dbraw/zinc/80/92/39/604809239.db2.gz BSUSBJKQXKQPCV-UHFFFAOYSA-N -2 0 379.369 2.925 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2O)c(OC)c1C(=O)[O-] ZINC000833734513 604862032 /nfs/dbraw/zinc/86/20/32/604862032.db2.gz JOFUBORABYEVEQ-UHFFFAOYSA-N -2 0 387.797 2.562 20 0 GFADRL C[C@@H](C1CC1)n1nccc1[N-]S(=O)(=O)c1cccc2c1ccnc2C(=O)[O-] ZINC000833516307 605151166 /nfs/dbraw/zinc/15/11/66/605151166.db2.gz VMSOVUAZTKXJBZ-NSHDSACASA-N -2 0 386.433 2.901 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2ccccc2O[C@H]2CCOC2)c(C(=O)[O-])c1 ZINC000833751342 605188872 /nfs/dbraw/zinc/18/88/72/605188872.db2.gz UZYBJPOTNRVYTB-ZDUSSCGKSA-N -2 0 377.418 2.662 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cn2)cc1C(=O)[O-] ZINC000833734797 605204837 /nfs/dbraw/zinc/20/48/37/605204837.db2.gz XFXNTEXDASGLHX-UHFFFAOYSA-N -2 0 376.312 2.608 20 0 GFADRL Cc1sc([N-]S(=O)(=O)c2cccc(C(=O)NC3CC3)c2)c(C(=O)[O-])c1C ZINC000833758355 605303041 /nfs/dbraw/zinc/30/30/41/605303041.db2.gz UOETWRZGSUHLPW-UHFFFAOYSA-N -2 0 394.474 2.756 20 0 GFADRL O=C([O-])N[C@@H]1CCc2ncc(NC(=O)c3ccc4[n-]c(=S)oc4c3)cc2C1 ZINC000834194745 605330984 /nfs/dbraw/zinc/33/09/84/605330984.db2.gz SVAVNSXLKLPPEJ-LLVKDONJSA-N -2 0 384.417 2.889 20 0 GFADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nc2c(s1)CN(C(C)C)CC2 ZINC000833747645 605344484 /nfs/dbraw/zinc/34/44/84/605344484.db2.gz BYPHDOFBHWZQEG-UHFFFAOYSA-N -2 0 395.506 2.717 20 0 GFADRL Cc1onc(OC(F)F)c1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1C ZINC000821089442 660315257 /nfs/dbraw/zinc/31/52/57/660315257.db2.gz IMOGHCXUUAGRQU-UHFFFAOYSA-N -2 0 376.337 2.700 20 0 GFADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2SC)cc1 ZINC000013278973 654503995 /nfs/dbraw/zinc/50/39/95/654503995.db2.gz IKFARJKLCBERPP-UHFFFAOYSA-N -2 0 381.431 2.694 20 0 GFADRL O=C([O-])[C@]1(CC(=O)N[N-]C(=O)c2sc3ccccc3c2Cl)CCSC1 ZINC000146955793 655046059 /nfs/dbraw/zinc/04/60/59/655046059.db2.gz AHSZIBRZKFPFIQ-INIZCTEOSA-N -2 0 398.893 2.914 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccn(CC(F)F)n2)c1Cl ZINC000156352586 655091908 /nfs/dbraw/zinc/09/19/08/655091908.db2.gz BDVLOAVKOLLAFR-UHFFFAOYSA-N -2 0 379.772 2.609 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cnc1Br ZINC000318977105 655381439 /nfs/dbraw/zinc/38/14/39/655381439.db2.gz CTLMRCYHJOPULY-UHFFFAOYSA-N -2 0 385.239 2.960 20 0 GFADRL CC[C@@](C)(NC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1)C(=O)[O-] ZINC000262447844 655445863 /nfs/dbraw/zinc/44/58/63/655445863.db2.gz OWETXZWJJLGCEZ-MRXNPFEDSA-N -2 0 382.463 2.532 20 0 GFADRL CC(=O)c1ccc(O)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c1 ZINC000758170022 655925159 /nfs/dbraw/zinc/92/51/59/655925159.db2.gz KUJXWDMQRUJJQI-UHFFFAOYSA-N -2 0 387.772 2.886 20 0 GFADRL CNC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C)c(Cl)c(C(=O)[O-])c1 ZINC000759095802 655947344 /nfs/dbraw/zinc/94/73/44/655947344.db2.gz UDOVQTOCOFEGFY-UHFFFAOYSA-N -2 0 382.825 2.507 20 0 GFADRL O=C([O-])C1([N-]S(=O)(=O)c2cc(F)c(Br)cc2F)CCCCC1 ZINC000760117528 655969707 /nfs/dbraw/zinc/96/97/07/655969707.db2.gz GPOSRGNZUBJWDF-UHFFFAOYSA-N -2 0 398.225 2.793 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3c2OCCO3)cc(Cl)c1F ZINC000767734121 656217665 /nfs/dbraw/zinc/21/76/65/656217665.db2.gz XSGFAWRVRWGTHD-UHFFFAOYSA-N -2 0 387.772 2.749 20 0 GFADRL Cn1cc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)c(C(=O)[O-])c2)nc1Cl ZINC000769834344 656294089 /nfs/dbraw/zinc/29/40/89/656294089.db2.gz UMOBYJVAOMGZJJ-UHFFFAOYSA-N -2 0 384.628 2.879 20 0 GFADRL COc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])c(F)c1 ZINC000775294599 656625127 /nfs/dbraw/zinc/62/51/27/656625127.db2.gz DVSIUKHZWLINNE-UHFFFAOYSA-N -2 0 389.788 2.752 20 0 GFADRL COC(=O)c1csc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)c1C ZINC000776282365 656726962 /nfs/dbraw/zinc/72/69/62/656726962.db2.gz SZEOXEQBTYRQJY-UHFFFAOYSA-N -2 0 391.373 2.620 20 0 GFADRL CC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)[O-] ZINC000776613574 656766976 /nfs/dbraw/zinc/76/69/76/656766976.db2.gz FVLYOBUAADSKJH-PHDIDXHHSA-N -2 0 375.315 2.550 20 0 GFADRL O=C([O-])[C@@H](CC1CCCC1)[N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000776633067 656772243 /nfs/dbraw/zinc/77/22/43/656772243.db2.gz UPKVRPCZNFOGGD-SSDOTTSWSA-N -2 0 387.326 2.694 20 0 GFADRL COc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c1O ZINC000778566190 656884591 /nfs/dbraw/zinc/88/45/91/656884591.db2.gz GYSMEDJYSDYJKL-UHFFFAOYSA-N -2 0 375.761 2.692 20 0 GFADRL O=C(Cn1c(=O)c2ccccc2[n-]c1=S)Nc1cc(Cl)c([O-])cc1F ZINC000805257003 659761581 /nfs/dbraw/zinc/76/15/81/659761581.db2.gz NASBUGIQQVSEEW-UHFFFAOYSA-N -2 0 379.800 2.822 20 0 GFADRL CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000863954369 662350774 /nfs/dbraw/zinc/35/07/74/662350774.db2.gz AMBDVYDNYXSUMO-UHFFFAOYSA-N -2 0 385.335 2.540 20 0 GFADRL Cc1ccc(Cl)c(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C2CCCC2)c1Cl ZINC000863961814 662351613 /nfs/dbraw/zinc/35/16/13/662351613.db2.gz UWFHKNLMORLOGB-LLVKDONJSA-N -2 0 394.276 2.998 20 0 GFADRL CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000863962573 662351631 /nfs/dbraw/zinc/35/16/31/662351631.db2.gz PLTSOQODHHGCMZ-UHFFFAOYSA-N -2 0 382.463 2.506 20 0 GFADRL O=C([O-])CCCC[N-]S(=O)(=O)c1oc2ccccc2c1Br ZINC000864428259 662370483 /nfs/dbraw/zinc/37/04/83/662370483.db2.gz CIKFBNKSPKCOML-UHFFFAOYSA-N -2 0 376.228 2.729 20 0 GFADRL O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1oc2ccccc2c1Br ZINC000864442978 662371693 /nfs/dbraw/zinc/37/16/93/662371693.db2.gz OKARVLBQWGKFPU-SCZZXKLOSA-N -2 0 388.239 2.727 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccn(CC(F)(F)F)n2)cc1Cl ZINC000160259709 551578207 /nfs/dbraw/zinc/57/82/07/551578207.db2.gz DJLXYDWHEIYENE-UHFFFAOYSA-N -2 0 383.735 2.598 20 0 GFADRL Cc1nc(-c2ccccc2)sc1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000181758063 552266803 /nfs/dbraw/zinc/26/68/03/552266803.db2.gz IDEKZIORWKQTJP-UHFFFAOYSA-N -2 0 377.447 2.956 20 0 GFADRL CCOCCOCc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000298843648 563368261 /nfs/dbraw/zinc/36/82/61/563368261.db2.gz HILWEEOINQRQJE-UHFFFAOYSA-N -2 0 385.463 2.800 20 0 GFADRL CC(C)CNC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC000298850324 563368299 /nfs/dbraw/zinc/36/82/99/563368299.db2.gz KPJCWFOVYLECOJ-UHFFFAOYSA-N -2 0 382.463 2.633 20 0 GFADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccn(CCC(F)(F)F)n1 ZINC000424079155 563369294 /nfs/dbraw/zinc/36/92/94/563369294.db2.gz FRBFYMZENHUTLH-UHFFFAOYSA-N -2 0 377.344 2.643 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OC(F)(F)O3)c(F)c1 ZINC000327318113 563457924 /nfs/dbraw/zinc/45/79/24/563457924.db2.gz JIGSRZWLNHQBAW-UHFFFAOYSA-N -2 0 375.280 2.646 20 0 GFADRL COc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Br)c1 ZINC000387096117 563519936 /nfs/dbraw/zinc/51/99/36/563519936.db2.gz WFERNMJHIRXFGL-UHFFFAOYSA-N -2 0 386.223 2.957 20 0 GFADRL Cc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(O)c2)c1Br ZINC000436641134 563675960 /nfs/dbraw/zinc/67/59/60/563675960.db2.gz TTZLOXWXMIXEBU-UHFFFAOYSA-N -2 0 386.223 2.962 20 0 GFADRL COCCOc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000438809949 563711871 /nfs/dbraw/zinc/71/18/71/563711871.db2.gz JVWBWQOIHATLJP-UHFFFAOYSA-N -2 0 385.825 2.864 20 0 GFADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C[C@@H](C)C(=O)[O-])cc2)s1 ZINC000541807813 564289702 /nfs/dbraw/zinc/28/97/02/564289702.db2.gz UCNLGNDARANJLI-SNVBAGLBSA-N -2 0 383.447 2.599 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2cc3c(cc2Cl)OCCO3)ccc1C(=O)[O-] ZINC000476737848 564352062 /nfs/dbraw/zinc/35/20/62/564352062.db2.gz JYLUFQAZHSOIPS-UHFFFAOYSA-N -2 0 383.809 2.919 20 0 GFADRL COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(C)c1 ZINC000476746793 564353130 /nfs/dbraw/zinc/35/31/30/564353130.db2.gz ZWKBDZUEIJNUAE-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000547885480 564515985 /nfs/dbraw/zinc/51/59/85/564515985.db2.gz PXCGXOZPAGXGOV-UHFFFAOYSA-N -2 0 383.809 2.919 20 0 GFADRL O=C([O-])[C@H](Cc1cccc(Cl)c1)NS(=O)(=O)c1cc(F)c(F)cc1F ZINC000548570700 564562303 /nfs/dbraw/zinc/56/23/03/564562303.db2.gz UXNMKLMBAWYFSX-ZDUSSCGKSA-N -2 0 393.770 2.732 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cnn(C)c2C(F)(F)F)c1C ZINC000548686654 564570013 /nfs/dbraw/zinc/57/00/13/564570013.db2.gz SPZWBGLIOHITNZ-UHFFFAOYSA-N -2 0 377.344 2.555 20 0 GFADRL Cc1ccc([N-]S(=O)(=O)c2cc(C)cnc2N)c(SCCC(=O)[O-])c1 ZINC000484507832 564589245 /nfs/dbraw/zinc/58/92/45/564589245.db2.gz YBKKXXMNMOQTFD-UHFFFAOYSA-N -2 0 381.479 2.648 20 0 GFADRL O=C([O-])c1cc([N-]S(=O)(=O)c2cnc3n2CCC3)cc(Cl)c1Cl ZINC000485034475 564604997 /nfs/dbraw/zinc/60/49/97/564604997.db2.gz NCEHCGVGFOZRGA-UHFFFAOYSA-N -2 0 376.221 2.635 20 0 GFADRL O=C([O-])CCc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)[O-])cc1 ZINC000485651490 564621876 /nfs/dbraw/zinc/62/18/76/564621876.db2.gz VKQCGEBHJFZCQT-UHFFFAOYSA-N -2 0 383.809 2.856 20 0 GFADRL O=C([O-])[C@H](Cc1ccco1)NS(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000580824611 564775543 /nfs/dbraw/zinc/77/55/43/564775543.db2.gz DDXNEVMFJUMQNY-NSHDSACASA-N -2 0 397.758 2.926 20 0 GFADRL COC(=O)c1csc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2SC)c1 ZINC000501833317 564986581 /nfs/dbraw/zinc/98/65/81/564986581.db2.gz YULXKOLSALSEKH-UHFFFAOYSA-N -2 0 387.460 2.756 20 0 GFADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC000535136440 565005934 /nfs/dbraw/zinc/00/59/34/565005934.db2.gz BUZLSWWTRNKDEV-UHFFFAOYSA-N -2 0 375.324 2.920 20 0 GFADRL CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)s1 ZINC000617466518 565240990 /nfs/dbraw/zinc/24/09/90/565240990.db2.gz IGXFYAHUHMBXHF-SNVBAGLBSA-N -2 0 382.463 2.753 20 0 GFADRL CCc1ccc(S(=O)(=O)[N-]c2cc(C)sc2C(=O)OC)cc1C(=O)[O-] ZINC000594695776 565408812 /nfs/dbraw/zinc/40/88/12/565408812.db2.gz HTCDWXDKIXLINL-UHFFFAOYSA-N -2 0 383.447 2.905 20 0 GFADRL Cc1ccc([C@@H]([N-]S(=O)(=O)c2cnc(C)c(C(=O)[O-])c2)C(F)(F)F)o1 ZINC000656181085 566111488 /nfs/dbraw/zinc/11/14/88/566111488.db2.gz OGTHOQRZMYLIOR-GFCCVEGCSA-N -2 0 378.328 2.572 20 0 GFADRL COc1cc(C[NH2+][C@@H](CC(=O)[O-])c2ccncc2)cc(Br)c1O ZINC000656567524 566142221 /nfs/dbraw/zinc/14/22/21/566142221.db2.gz RYOCQEQMJSKOJK-ZDUSSCGKSA-N -2 0 381.226 2.864 20 0 GFADRL CS(=O)(=O)[N-]c1cc2ccccc2cc1C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000769523875 597093280 /nfs/dbraw/zinc/09/32/80/597093280.db2.gz CEGCALOLBSQYTG-CYBMUJFWSA-N -2 0 390.461 2.538 20 0 GFADRL CS(=O)(=O)[N-]c1cc2ccccc2cc1C(=O)NCCCCCC(=O)[O-] ZINC000769493680 597152378 /nfs/dbraw/zinc/15/23/78/597152378.db2.gz LGXNSZQLCJZNLY-UHFFFAOYSA-N -2 0 378.450 2.586 20 0 GFADRL Cc1cc(S(=O)(=O)Nc2cccc(CC(=O)[O-])c2)cc(C(=O)[O-])c1Cl ZINC000759100545 597419996 /nfs/dbraw/zinc/41/99/96/597419996.db2.gz CMUMOMAKISKZRU-UHFFFAOYSA-N -2 0 383.809 2.775 20 0 GFADRL CCOc1ccc(Br)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000737194702 599739610 /nfs/dbraw/zinc/73/96/10/599739610.db2.gz NNHYZLHCVLEGQQ-UHFFFAOYSA-N -2 0 390.211 2.940 20 0 GFADRL CCOc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1C(=O)[O-] ZINC000524319309 599746956 /nfs/dbraw/zinc/74/69/56/599746956.db2.gz PTBHYFQLITVVIT-UHFFFAOYSA-N -2 0 399.808 2.936 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2nc(COc3ccccc3)cs2)o1 ZINC000740187460 599802772 /nfs/dbraw/zinc/80/27/72/599802772.db2.gz LUFOJVQGYJTDOB-UHFFFAOYSA-N -2 0 380.403 2.814 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2cccc3cccnc32)c(C(=O)[O-])s1 ZINC000737681470 599813526 /nfs/dbraw/zinc/81/35/26/599813526.db2.gz QYPCCQMLBGLTTF-UHFFFAOYSA-N -2 0 392.414 2.582 20 0 GFADRL CCOc1cc(C)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C(=O)OC ZINC000737193876 599815481 /nfs/dbraw/zinc/81/54/81/599815481.db2.gz WUDLQVRPQJJDSW-UHFFFAOYSA-N -2 0 399.446 2.741 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc3scnc3c2)c(C(=O)[O-])s1 ZINC000737680428 599815606 /nfs/dbraw/zinc/81/56/06/599815606.db2.gz IZQWJVWLOKHSEB-UHFFFAOYSA-N -2 0 398.443 2.643 20 0 GFADRL COC(=O)CCc1ccc([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])cc1 ZINC000737606200 599853404 /nfs/dbraw/zinc/85/34/04/599853404.db2.gz XLJFOHOXDVKFQP-UHFFFAOYSA-N -2 0 381.406 2.501 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(-c3n[nH]c(C4CC4)n3)c2)s1 ZINC000740187143 599927276 /nfs/dbraw/zinc/92/72/76/599927276.db2.gz HKZOQGQHEGRQIC-UHFFFAOYSA-N -2 0 390.446 2.910 20 0 GFADRL CC1=C(C(=O)[O-])[C@@H](c2cccc(OCc3ccccc3C(=O)[O-])c2)NC(=S)N1 ZINC000736751741 600051499 /nfs/dbraw/zinc/05/14/99/600051499.db2.gz RZELYWMLTIUKKR-QGZVFWFLSA-N -2 0 398.440 2.841 20 0 GFADRL CNC(=O)c1ccccc1[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000737551243 600051547 /nfs/dbraw/zinc/05/15/47/600051547.db2.gz DOGODRMRUBTXEB-UHFFFAOYSA-N -2 0 390.442 2.760 20 0 GFADRL COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)[N-]c2nc(C)c(C)s2)c1OC ZINC000737874564 600054391 /nfs/dbraw/zinc/05/43/91/600054391.db2.gz WOVORIFZBJSTQE-AATRIKPKSA-N -2 0 398.462 2.676 20 0 GFADRL Cc1ccc(Cn2nccc2[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC000738603484 600055156 /nfs/dbraw/zinc/05/51/56/600055156.db2.gz LZJHAMXDKWFQBG-UHFFFAOYSA-N -2 0 377.447 2.800 20 0 GFADRL O=C([O-])c1ccc(CCC(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1 ZINC000739256545 600101160 /nfs/dbraw/zinc/10/11/60/600101160.db2.gz YQFQWBDANRWRPD-UHFFFAOYSA-N -2 0 385.800 2.615 20 0 GFADRL Cc1cc(C(=O)[O-])c2sc([N-]S(=O)(=O)c3ccc(F)cc3C)nc2n1 ZINC000738345124 600102324 /nfs/dbraw/zinc/10/23/24/600102324.db2.gz DGSZYMMBLGURKN-UHFFFAOYSA-N -2 0 381.410 2.946 20 0 GFADRL Cc1cc(C(=O)[O-])c2sc([N-]S(=O)(=O)c3ccc4c(c3)COC4)nc2n1 ZINC000738344656 600102446 /nfs/dbraw/zinc/10/24/46/600102446.db2.gz CXXKYPSETXDWQD-UHFFFAOYSA-N -2 0 391.430 2.529 20 0 GFADRL Cc1cccc(C[C@H](CNC(=O)c2nn(-c3ccccc3F)cc2[O-])C(=O)[O-])c1 ZINC000738708598 600103584 /nfs/dbraw/zinc/10/35/84/600103584.db2.gz ZLVOUDHLLSTDAA-OAHLLOKOSA-N -2 0 397.406 2.699 20 0 GFADRL Cc1cccc(C[C@H](CNC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)C(=O)[O-])c1 ZINC000738712141 600104342 /nfs/dbraw/zinc/10/43/42/600104342.db2.gz WHHIYVFHWUTXTD-CQSZACIVSA-N -2 0 397.456 2.606 20 0 GFADRL Cc1nc(-c2ccccc2[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)no1 ZINC000738831935 600232730 /nfs/dbraw/zinc/23/27/30/600232730.db2.gz LZEQGWPIXGIKDH-UHFFFAOYSA-N -2 0 395.343 2.822 20 0 GFADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)c(C)c2)c1C(=O)[O-] ZINC000738462752 600233842 /nfs/dbraw/zinc/23/38/42/600233842.db2.gz WYJJAOFMNLZNGO-UHFFFAOYSA-N -2 0 388.405 2.713 20 0 GFADRL CCn1ncc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(F)cc3F)cc21 ZINC000737311559 600233872 /nfs/dbraw/zinc/23/38/72/600233872.db2.gz AGOLCURODKCRNU-UHFFFAOYSA-N -2 0 381.360 2.833 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnn(Cc3ccccc3)c2)c(F)cc1F ZINC000740089334 600234255 /nfs/dbraw/zinc/23/42/55/600234255.db2.gz FKBAGZFZECTTSV-UHFFFAOYSA-N -2 0 393.371 2.709 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCCC(=O)N3)c(F)cc1F ZINC000740304854 600235855 /nfs/dbraw/zinc/23/58/55/600235855.db2.gz YKFQYOYFZBFTOD-UHFFFAOYSA-N -2 0 396.371 2.739 20 0 GFADRL COC(=O)c1[nH]c(C)cc1[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000737642983 600255287 /nfs/dbraw/zinc/25/52/87/600255287.db2.gz XYJSPZSZDOYXLU-UHFFFAOYSA-N -2 0 394.430 2.823 20 0 GFADRL CCn1c(=O)c2ccc(C(=O)N3C[C@@H](C(=O)[O-])c4ccccc43)cc2[n-]c1=S ZINC000737296395 600279343 /nfs/dbraw/zinc/27/93/43/600279343.db2.gz ZOWZJYDBGCMRGA-CQSZACIVSA-N -2 0 395.440 2.534 20 0 GFADRL COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(CN(C)C(=O)[O-])cc2)c1 ZINC000738048461 600300943 /nfs/dbraw/zinc/30/09/43/600300943.db2.gz QWSVULIQMHNAGE-UHFFFAOYSA-N -2 0 380.422 2.614 20 0 GFADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)c2ccc(-c3ccccc3)[nH]2)cc1 ZINC000740136036 600422309 /nfs/dbraw/zinc/42/23/09/600422309.db2.gz NXDYUJHIECAMRF-UHFFFAOYSA-N -2 0 384.413 2.640 20 0 GFADRL O=C([O-])c1sccc1S(=O)(=O)[N-]c1ccc(N2CCCC2=O)c(F)c1 ZINC000740289311 600459411 /nfs/dbraw/zinc/45/94/11/600459411.db2.gz IVFMKCPEAMSGSF-UHFFFAOYSA-N -2 0 384.410 2.513 20 0 GFADRL CC(C)c1ccc(-c2nc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])cs2)cc1 ZINC000736515651 600460151 /nfs/dbraw/zinc/46/01/51/600460151.db2.gz OPXKPWJLFLXYIO-UHFFFAOYSA-N -2 0 396.490 2.858 20 0 GFADRL Cc1cc(C(=O)[O-])c2sc([N-]S(=O)(=O)c3cccnc3Cl)nc2n1 ZINC000738346236 600513371 /nfs/dbraw/zinc/51/33/71/600513371.db2.gz YPSDRGYCVNIHMS-UHFFFAOYSA-N -2 0 384.826 2.547 20 0 GFADRL O=C([O-])Cn1cc([N-]S(=O)(=O)c2ccc(OCC3CCCCC3)cc2)cn1 ZINC000739911912 600531346 /nfs/dbraw/zinc/53/13/46/600531346.db2.gz QGWLJCVOVDDPPV-UHFFFAOYSA-N -2 0 393.465 2.728 20 0 GFADRL CCOc1ccc(OCC)c([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)c1 ZINC000047949078 600541275 /nfs/dbraw/zinc/54/12/75/600541275.db2.gz RNVNYWDCVOUHNV-UHFFFAOYSA-N -2 0 395.433 2.992 20 0 GFADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)nc2)cc1 ZINC000530893834 600628453 /nfs/dbraw/zinc/62/84/53/600628453.db2.gz KXBOGVXOOWZKOM-UHFFFAOYSA-N -2 0 376.434 2.831 20 0 GFADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)cc(C(=O)[O-])c1 ZINC000738992773 600636738 /nfs/dbraw/zinc/63/67/38/600636738.db2.gz FZLIWPBFFGSVFL-UHFFFAOYSA-N -3 0 375.811 2.907 20 0 GFADRL O=C([O-])c1cc(Cl)cc([N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)c1 ZINC000740305068 600638353 /nfs/dbraw/zinc/63/83/53/600638353.db2.gz CNDAOMPWCMNHNM-UHFFFAOYSA-N -2 0 398.799 2.863 20 0 GFADRL COc1ccc2nc([N-]S(=O)(=O)c3ccc(OC)c(C(=O)[O-])c3)sc2c1 ZINC000738080464 600659503 /nfs/dbraw/zinc/65/95/03/600659503.db2.gz YHPQHPBJEAXVSL-UHFFFAOYSA-N -2 0 394.430 2.813 20 0 GFADRL CC[C@H](C)Sc1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c(C)c1 ZINC000828764474 600678963 /nfs/dbraw/zinc/67/89/63/600678963.db2.gz KLQMTIHQYCVMOY-LBPRGKRZSA-N -2 0 383.495 2.968 20 0 GFADRL Cc1nnc(-c2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(F)cc3F)cc2)o1 ZINC000738934791 600679286 /nfs/dbraw/zinc/67/92/86/600679286.db2.gz WESBMYJXNRXWHK-UHFFFAOYSA-N -2 0 395.343 2.822 20 0 GFADRL O=C([O-])CSCc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC000833263318 600682009 /nfs/dbraw/zinc/68/20/09/600682009.db2.gz LXPZOAGIWLCGPS-UHFFFAOYSA-N -3 0 399.421 2.643 20 0 GFADRL CC(C)c1noc(-c2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])n(C)c3)cc2)n1 ZINC000590263197 600814964 /nfs/dbraw/zinc/81/49/64/600814964.db2.gz KVLAVCCDKDTCKE-UHFFFAOYSA-N -2 0 390.421 2.698 20 0 GFADRL COc1ccccc1[C@@H](C)S(=O)(=O)C=C([O-])c1[nH]c(C)c(C(=O)[O-])c1C ZINC000832597390 600831377 /nfs/dbraw/zinc/83/13/77/600831377.db2.gz WNASCQBAJAWROH-GFCCVEGCSA-N -2 0 379.434 2.697 20 0 GFADRL COC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000737652307 600889258 /nfs/dbraw/zinc/88/92/58/600889258.db2.gz AJSZVKLDUCJCPS-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)cc2)s1 ZINC000740177650 600896768 /nfs/dbraw/zinc/89/67/68/600896768.db2.gz PYYOCEQSNNLOJL-UHFFFAOYSA-N -2 0 384.504 2.800 20 0 GFADRL CC(=O)Nc1nc(C)c(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)s1 ZINC000608342160 600899299 /nfs/dbraw/zinc/89/92/99/600899299.db2.gz NLJMHHNOUPGIMU-UHFFFAOYSA-N -2 0 397.478 2.573 20 0 GFADRL CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000829009789 600943450 /nfs/dbraw/zinc/94/34/50/600943450.db2.gz QFAKLQYMNVWXHP-NOLJZWGESA-N -2 0 383.466 2.564 20 0 GFADRL CC1(C)Cc2nc([N-]S(=O)(=O)c3csc(C(=O)[O-])c3)sc2C(=O)C1 ZINC000828055366 600974344 /nfs/dbraw/zinc/97/43/44/600974344.db2.gz CSNFSRMTXZJSKG-UHFFFAOYSA-N -2 0 386.476 2.859 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc(-c2ncc[nH]2)cc1 ZINC000831945442 601200652 /nfs/dbraw/zinc/20/06/52/601200652.db2.gz GWGUROBTNPPRJF-UHFFFAOYSA-N -2 0 379.419 2.646 20 0 GFADRL COc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)c(Cl)cc1C(=O)[O-] ZINC000485272068 601224050 /nfs/dbraw/zinc/22/40/50/601224050.db2.gz MVYQRPBXQQLRBS-UHFFFAOYSA-N -3 0 399.808 2.854 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2cccc(C)c2C(=O)N2CCCC2)cc1C(=O)[O-] ZINC000832973096 601232078 /nfs/dbraw/zinc/23/20/78/601232078.db2.gz PWKCKGDXHQLDPU-UHFFFAOYSA-N -2 0 392.433 2.631 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)c(Br)c1 ZINC000832413420 601232923 /nfs/dbraw/zinc/23/29/23/601232923.db2.gz WFTJGUXUJCOEPT-UHFFFAOYSA-N -2 0 390.211 2.858 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)c(C)c2)cc1C(=O)[O-] ZINC000832898745 601232927 /nfs/dbraw/zinc/23/29/27/601232927.db2.gz RYOLWJJCWPEZJT-UHFFFAOYSA-N -2 0 396.490 2.949 20 0 GFADRL Cc1oc(CN(C)C(=O)c2nn(-c3ccc(F)cc3C)cc2[O-])cc1C(=O)[O-] ZINC000832890140 601242984 /nfs/dbraw/zinc/24/29/84/601242984.db2.gz QCLLLYOJICUHCK-UHFFFAOYSA-N -2 0 387.367 2.897 20 0 GFADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)s1 ZINC000319614755 601327051 /nfs/dbraw/zinc/32/70/51/601327051.db2.gz NWZZMCASFCMNKW-UHFFFAOYSA-N -3 0 375.811 2.528 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cnc(-c3cccc(O)c3)nc2)c1C ZINC000590835833 601328163 /nfs/dbraw/zinc/32/81/63/601328163.db2.gz QBVCYPJVXZWZLX-UHFFFAOYSA-N -2 0 399.428 2.965 20 0 GFADRL COc1ccc(-c2csc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3)n2)cc1 ZINC000013059939 601356725 /nfs/dbraw/zinc/35/67/25/601356725.db2.gz JIJCPTKYZVPPCD-UHFFFAOYSA-N -2 0 390.442 2.740 20 0 GFADRL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1nc(-c2ccccc2)ns1 ZINC000833318939 601362084 /nfs/dbraw/zinc/36/20/84/601362084.db2.gz ZIOSKTKZVMCHDS-UHFFFAOYSA-N -2 0 379.394 2.843 20 0 GFADRL CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])cc1 ZINC000829865405 601383920 /nfs/dbraw/zinc/38/39/20/601383920.db2.gz CSPVKTNRWMFDOT-UHFFFAOYSA-N -2 0 399.812 2.802 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)n(-c2cccc(Cl)c2)n1 ZINC000832899258 601402613 /nfs/dbraw/zinc/40/26/13/601402613.db2.gz HBCCHFPDPUROTB-UHFFFAOYSA-N -2 0 381.797 2.926 20 0 GFADRL CCc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3csnc3C(=O)[O-])c2)n1 ZINC000830339185 601486132 /nfs/dbraw/zinc/48/61/32/601486132.db2.gz QNUSAXMYPBBRLO-UHFFFAOYSA-N -2 0 394.434 2.563 20 0 GFADRL Cc1ccnc(Oc2ccc([N-]S(=O)(=O)c3csnc3C(=O)[O-])cc2)n1 ZINC000832983893 601487381 /nfs/dbraw/zinc/48/73/81/601487381.db2.gz HBWFNSLDPYOKNI-UHFFFAOYSA-N -2 0 392.418 2.533 20 0 GFADRL COc1ccccc1-c1cc([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])n[nH]1 ZINC000832577641 601604714 /nfs/dbraw/zinc/60/47/14/601604714.db2.gz MSCCZOVQNBOMOM-UHFFFAOYSA-N -2 0 391.405 2.794 20 0 GFADRL CC[C@H](NC(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1[O-])C(=O)[O-] ZINC000828978219 601753478 /nfs/dbraw/zinc/75/34/78/601753478.db2.gz KCXJFYALTFDSIM-NSHDSACASA-N -2 0 382.825 2.952 20 0 GFADRL O=C([O-])C[C@H](NC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1)c1ccc(Cl)cc1 ZINC000833264639 601760270 /nfs/dbraw/zinc/76/02/70/601760270.db2.gz FRDVRGGBWBWFSO-AWEZNQCLSA-N -2 0 387.779 2.629 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2c(-c3cccnc3)nc3ccccn32)cc1 ZINC000833323361 601770423 /nfs/dbraw/zinc/77/04/23/601770423.db2.gz GRRBSKSBSNHGEF-UHFFFAOYSA-N -2 0 394.412 2.895 20 0 GFADRL COc1c(C)cc(S(=O)(=O)[N-]c2nc(CCCC(=O)[O-])cs2)cc1C ZINC000831846604 601771442 /nfs/dbraw/zinc/77/14/42/601771442.db2.gz AMAVTKCOIIHRNZ-UHFFFAOYSA-N -2 0 384.479 2.977 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2nc(CCCC(=O)[O-])cs2)c(C)c1C ZINC000832468566 601772438 /nfs/dbraw/zinc/77/24/38/601772438.db2.gz LHGKCQXTCARKGO-UHFFFAOYSA-N -2 0 384.479 2.977 20 0 GFADRL O=C([O-])CCCc1csc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)n1 ZINC000833229912 601772706 /nfs/dbraw/zinc/77/27/06/601772706.db2.gz RPSXPFZZXZQAFR-UHFFFAOYSA-N -2 0 398.462 2.513 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2-n2cncn2)c(Cl)cc1F ZINC000746351165 601833330 /nfs/dbraw/zinc/83/33/30/601833330.db2.gz ORMSGJTXTVMCQG-UHFFFAOYSA-N -2 0 396.787 2.559 20 0 GFADRL Cc1ccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])c(OC[C@H]2CCCO2)c1 ZINC000832950112 601837952 /nfs/dbraw/zinc/83/79/52/601837952.db2.gz BHKJGDXMIZDFQT-LLVKDONJSA-N -2 0 398.462 2.508 20 0 GFADRL Cc1cc(C)c(NS(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)c(C(=O)[O-])c1 ZINC000751142723 601839290 /nfs/dbraw/zinc/83/92/90/601839290.db2.gz LHDLGEPHUROJSU-UHFFFAOYSA-N -2 0 385.344 2.779 20 0 GFADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1cccnc1OCc1ccccc1 ZINC000833346929 601841537 /nfs/dbraw/zinc/84/15/37/601841537.db2.gz XDVXJENZHVRBSE-UHFFFAOYSA-N -2 0 391.430 2.616 20 0 GFADRL Cc1nc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCCC2)s1 ZINC000832995966 601848040 /nfs/dbraw/zinc/84/80/40/601848040.db2.gz NUGUOUNYJXUQTP-UHFFFAOYSA-N -2 0 381.479 2.859 20 0 GFADRL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccnn1Cc1ccccc1F ZINC000833294729 601848113 /nfs/dbraw/zinc/84/81/13/601848113.db2.gz UNEZGAORIDEDDA-UHFFFAOYSA-N -2 0 393.371 2.709 20 0 GFADRL CC(C)c1cc([N-]S(=O)(=O)c2ccc(Br)cc2C(=O)[O-])n[nH]1 ZINC000827111977 601850498 /nfs/dbraw/zinc/85/04/98/601850498.db2.gz CLAWPFIFVAHCIB-UHFFFAOYSA-N -2 0 388.243 2.795 20 0 GFADRL COc1cc([N-]S(=O)(=O)c2cc(F)c(C)cc2F)c(C(=O)[O-])cc1OC ZINC000475752479 601881001 /nfs/dbraw/zinc/88/10/01/601881001.db2.gz ZJPLZWSOGVTRSS-UHFFFAOYSA-N -2 0 387.360 2.789 20 0 GFADRL Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000832933593 601881748 /nfs/dbraw/zinc/88/17/48/601881748.db2.gz APBANVAZVXSAJY-UHFFFAOYSA-N -3 0 375.811 2.907 20 0 GFADRL Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)c(Cl)cc1F ZINC000832864759 601972344 /nfs/dbraw/zinc/97/23/44/601972344.db2.gz FPMQZVIVXSYOKA-UHFFFAOYSA-N -2 0 377.802 2.666 20 0 GFADRL COC(=O)c1nscc1[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000831471847 602155221 /nfs/dbraw/zinc/15/52/21/602155221.db2.gz XAFMLHZSQTYOOJ-UHFFFAOYSA-N -2 0 398.443 2.643 20 0 GFADRL CC(C)CCn1ccc([N-]S(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)n1 ZINC000826865274 602201298 /nfs/dbraw/zinc/20/12/98/602201298.db2.gz KMPVUDVPBQSTJN-UHFFFAOYSA-N -2 0 381.454 2.584 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2cc(CCc3ccccc3)n[nH]2)cc1C(=O)[O-] ZINC000833027844 602306717 /nfs/dbraw/zinc/30/67/17/602306717.db2.gz YTSYCBNRFQPTFL-UHFFFAOYSA-N -2 0 375.406 2.595 20 0 GFADRL O=C([O-])c1ccc(Br)c(S(=O)(=O)[N-]c2cc(C3CC3)[nH]n2)c1 ZINC000833309673 602307153 /nfs/dbraw/zinc/30/71/53/602307153.db2.gz DWYWWAZNNPPLOK-UHFFFAOYSA-N -2 0 386.227 2.549 20 0 GFADRL Cc1ccn(-c2ccccc2[N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)n1 ZINC000759171438 602309422 /nfs/dbraw/zinc/30/94/22/602309422.db2.gz GEIWSLXEIKMLCR-UHFFFAOYSA-N -2 0 393.371 2.958 20 0 GFADRL C[C@](CC(=O)N[C@@H](CNC(=O)[O-])C1CCCCC1)(C(=O)[O-])c1ccccc1 ZINC000738895505 602570443 /nfs/dbraw/zinc/57/04/43/602570443.db2.gz NGWXOXGIYRVOEC-OXJNMPFZSA-N -2 0 376.453 2.752 20 0 GFADRL O=C([O-])Nc1ccc([N-]S(=O)(=O)c2cnn(-c3ccccc3F)c2)cc1 ZINC000738667230 602819619 /nfs/dbraw/zinc/81/96/19/602819619.db2.gz MLRVMAUUCXNSKZ-UHFFFAOYSA-N -2 0 376.369 2.902 20 0 GFADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CCC(CNC(=O)[O-])CC3)n2)c1 ZINC000738875468 603314660 /nfs/dbraw/zinc/31/46/60/603314660.db2.gz JDJMROWGIQKSLQ-UHFFFAOYSA-N -2 0 386.452 2.821 20 0 GFADRL O=C([O-])N1CCc2nc([N-]S(=O)(=O)/C=C\c3ccc(F)cc3)sc2C1 ZINC000832095093 603632127 /nfs/dbraw/zinc/63/21/27/603632127.db2.gz ZHNZTSAZCPJJNT-VURMDHGXSA-N -2 0 383.426 2.731 20 0 GFADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CC[C@H](NC(=O)[O-])[C@@H](C)C3)n2)cc1 ZINC000824463330 603659339 /nfs/dbraw/zinc/65/93/39/603659339.db2.gz HQQQSXQHYBJIIZ-BBRMVZONSA-N -2 0 386.452 2.820 20 0 GFADRL Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)[C@@H](C)[C@H](NC(=O)[O-])c2ccccc2)c1 ZINC000830275184 604208457 /nfs/dbraw/zinc/20/84/57/604208457.db2.gz QFURWZXGCFBZOC-YOEHRIQHSA-N -2 0 390.461 2.753 20 0 GFADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CCC[C@H]([C@@H](C)NC(=O)[O-])C2)n1 ZINC000830068832 604251107 /nfs/dbraw/zinc/25/11/07/604251107.db2.gz PLJUDLUNAHGZPL-OLZOCXBDSA-N -2 0 390.415 2.534 20 0 GFADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000829854496 604316213 /nfs/dbraw/zinc/31/62/13/604316213.db2.gz JHZWPCSSJZEODJ-UHFFFAOYSA-N -2 0 376.390 2.535 20 0 GFADRL C[C@@H](CC(=O)[N-]S(=O)(=O)c1cccc(Cl)c1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824678643 604394233 /nfs/dbraw/zinc/39/42/33/604394233.db2.gz DMDWAYKILHRHLY-NWDGAFQWSA-N -2 0 388.873 2.561 20 0 GFADRL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2nnc(C(F)(F)F)s2)c1 ZINC000833296854 604403615 /nfs/dbraw/zinc/40/36/15/604403615.db2.gz AJWGEVZVWLMTRH-UHFFFAOYSA-N -2 0 387.748 2.709 20 0 GFADRL CCc1nc(-c2ccccc2[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)n[nH]1 ZINC000535894782 604537048 /nfs/dbraw/zinc/53/70/48/604537048.db2.gz GPMXUPZFIJTQOC-UHFFFAOYSA-N -2 0 386.433 2.842 20 0 GFADRL CC(C)(C(=O)[O-])[C@@H](NC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1)c1ccccc1 ZINC000826103726 604707828 /nfs/dbraw/zinc/70/78/28/604707828.db2.gz VFFFXIBUPKAPGT-HNNXBMFYSA-N -2 0 381.388 2.612 20 0 GFADRL Cc1cc(C(=O)[N-]S(=O)(=O)c2cccc3ncccc32)ccc1NC(=O)[O-] ZINC000829962048 605350046 /nfs/dbraw/zinc/35/00/46/605350046.db2.gz STCVJKSMUBMCJI-UHFFFAOYSA-N -2 0 385.401 2.752 20 0 GFADRL C[C@@H](c1ccc(Cl)cc1Cl)S(=O)(=O)[N-]C(=O)c1cc(C(=O)[O-])no1 ZINC000833548570 605908280 /nfs/dbraw/zinc/90/82/80/605908280.db2.gz PDKKVBZCTIPISH-LURJTMIESA-N -2 0 393.204 2.500 20 0 GFADRL O=C([O-])N[C@@H](CNC(=O)c1ccc(Br)c(O)c1)c1ccccc1 ZINC000834146390 605936636 /nfs/dbraw/zinc/93/66/36/605936636.db2.gz IBFNQDWVRJBDSH-ZDUSSCGKSA-N -2 0 379.210 2.893 20 0 GFADRL O=C([O-])N[C@@H]1CC[C@@H](C(=O)N[C@@H](Cc2cc(Cl)cc(Cl)c2)C(=O)[O-])C1 ZINC000834165323 606072159 /nfs/dbraw/zinc/07/21/59/606072159.db2.gz SFXUSUKJUNZXID-WQAKAFBOSA-N -2 0 389.235 2.542 20 0 GFADRL Cc1onc(OC(F)F)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000821089127 660315077 /nfs/dbraw/zinc/31/50/77/660315077.db2.gz BIPHZGLGYOLXHU-UHFFFAOYSA-N -2 0 382.728 2.737 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C[N-]C(=O)C(F)(F)F)c2)o1 ZINC000830167160 660639344 /nfs/dbraw/zinc/63/93/44/660639344.db2.gz HVFRYHXXKIGXHW-UHFFFAOYSA-N -2 0 376.356 2.876 20 0 GFADRL C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC000029331494 654576016 /nfs/dbraw/zinc/57/60/16/654576016.db2.gz MJOUBKKDHVXIHC-UHFFFAOYSA-N -2 0 381.435 2.555 20 0 GFADRL CCn1nc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)c(Cl)c2F)c1C ZINC000272372254 655110374 /nfs/dbraw/zinc/11/03/74/655110374.db2.gz ACOSROVRAUQDMF-UHFFFAOYSA-N -2 0 393.799 2.950 20 0 GFADRL O=C([O-])c1c(F)cc([N-]S(=O)(=O)c2cncc(Br)c2)cc1F ZINC000317510476 655380969 /nfs/dbraw/zinc/38/09/69/655380969.db2.gz WNZCYMFPKZMFHJ-UHFFFAOYSA-N -2 0 393.165 2.621 20 0 GFADRL C[C@H]1CCN(C(=O)N=c2nc(-c3cccc(Cl)c3)[n-]s2)C[C@H]1C(=O)[O-] ZINC000566068974 655424700 /nfs/dbraw/zinc/42/47/00/655424700.db2.gz NJZRHIOZOJLILJ-JOYOIKCWSA-N -2 0 380.857 2.855 20 0 GFADRL O=C([O-])CCCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)nc2)cc1F ZINC000729247202 655563532 /nfs/dbraw/zinc/56/35/32/655563532.db2.gz KFNCRUZULBEDGQ-UHFFFAOYSA-N -2 0 388.804 2.919 20 0 GFADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1SC(=O)N(C)C ZINC000742235809 655712696 /nfs/dbraw/zinc/71/26/96/655712696.db2.gz YNWQDAJIJVTRCE-UHFFFAOYSA-N -2 0 384.435 2.861 20 0 GFADRL COC(=O)c1cc(Cl)cc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c1 ZINC000749145600 655800981 /nfs/dbraw/zinc/80/09/81/655800981.db2.gz KWUKKLBYXANXDP-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL O=C([O-])c1cc(F)c(Br)c(S(=O)(=O)[N-]c2ccccc2O)c1 ZINC000753524376 655855439 /nfs/dbraw/zinc/85/54/39/655855439.db2.gz RUQMJDROWDXSNE-UHFFFAOYSA-N -2 0 390.186 2.793 20 0 GFADRL COC(=O)c1sccc1[N-]S(=O)(=O)c1cc(C)c(Cl)c(C(=O)[O-])c1 ZINC000759094126 655947413 /nfs/dbraw/zinc/94/74/13/655947413.db2.gz IKALCFQZQKCNRI-UHFFFAOYSA-N -2 0 389.838 2.996 20 0 GFADRL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-]c2cccc(O)c2)s1 ZINC000769622377 656282697 /nfs/dbraw/zinc/28/26/97/656282697.db2.gz YFHZDYFJSCMGOZ-UHFFFAOYSA-N -2 0 378.225 2.715 20 0 GFADRL CC(=O)Nc1ccc([N-]S(=O)(=O)c2cnc(Cl)c(C)c2)c(C(=O)[O-])c1 ZINC000776442153 656742049 /nfs/dbraw/zinc/74/20/49/656742049.db2.gz FJFSSXBTGPNWJM-UHFFFAOYSA-N -2 0 383.813 2.501 20 0 GFADRL O=C([O-])[C@@H]([N-]S(=O)(=O)c1c(Cl)ccnc1Cl)c1c(F)cccc1F ZINC000776587231 656763417 /nfs/dbraw/zinc/76/34/17/656763417.db2.gz JVKBTUFDHSYJLF-JTQLQIEISA-N -2 0 397.186 2.771 20 0 GFADRL CC(C)(CCC[N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)[O-] ZINC000776625196 656769399 /nfs/dbraw/zinc/76/93/99/656769399.db2.gz XTICNCQWLMFQSP-UHFFFAOYSA-N -2 0 375.315 2.551 20 0 GFADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1[C@@H](O)C(F)(F)F ZINC000777742941 656833616 /nfs/dbraw/zinc/83/36/16/656833616.db2.gz BAYBYHNOTACERE-GFCCVEGCSA-N -2 0 379.312 2.683 20 0 GFADRL COc1cc(F)c(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C ZINC000793446033 658397717 /nfs/dbraw/zinc/39/77/17/658397717.db2.gz YGQGLKUBVFCCNA-UHFFFAOYSA-N -2 0 375.324 2.920 20 0 GFADRL CC(C)c1nn(C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)c(Cl)c1F ZINC000794884875 658631873 /nfs/dbraw/zinc/63/18/73/658631873.db2.gz VAOHDXNDVZPBKS-UHFFFAOYSA-N -2 0 393.799 2.974 20 0 GFADRL CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]c2cc(C)cc(C(=O)[O-])c2)s1 ZINC000795365419 658811431 /nfs/dbraw/zinc/81/14/31/658811431.db2.gz KZKKTLFNZVKFKF-SNVBAGLBSA-N -2 0 382.463 2.753 20 0 GFADRL O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1ccc(F)cc1Cl ZINC000852735796 661873011 /nfs/dbraw/zinc/87/30/11/661873011.db2.gz JPLVAHOPQFQUMO-NWDGAFQWSA-N -2 0 382.741 2.575 20 0 GFADRL C[C@H](C(=O)[O-])C1([N-]S(=O)(=O)c2oc3ccccc3c2Br)CC1 ZINC000864438304 662371489 /nfs/dbraw/zinc/37/14/89/662371489.db2.gz GSARIZXTCPWDFQ-MRVPVSSYSA-N -2 0 388.239 2.727 20 0 GFADRL O=C([O-])CCCCC(=O)N1CC[C@H](C(=O)[O-])c2cc(Br)ccc21 ZINC000902324880 663759459 /nfs/dbraw/zinc/75/94/59/663759459.db2.gz OEHSXGTUTJIHFF-NSHDSACASA-N -2 0 384.226 2.999 20 0 GFADRL CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC000015245551 551111004 /nfs/dbraw/zinc/11/10/04/551111004.db2.gz QBUPDESOSZYOQA-UHFFFAOYSA-N -2 0 382.463 2.729 20 0 GFADRL N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(C(=O)[O-])c2)c(F)c1 ZINC000161717279 551597674 /nfs/dbraw/zinc/59/76/74/551597674.db2.gz WKOXQJMVFBTDAQ-UHFFFAOYSA-N -2 0 399.197 2.959 20 0 GFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cnn(CC(F)(F)F)c2)cc1Cl ZINC000186966346 552403210 /nfs/dbraw/zinc/40/32/10/552403210.db2.gz JRHGSOJSQBNJCJ-UHFFFAOYSA-N -2 0 383.735 2.598 20 0 GFADRL O=C([O-])CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cccnc1C(F)(F)F ZINC000297232076 563320425 /nfs/dbraw/zinc/32/04/25/563320425.db2.gz PATGKPQDKPBYKN-QWRGUYRKSA-N -2 0 380.388 2.802 20 0 GFADRL CC(C)n1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2Br)n1 ZINC000280946186 563361829 /nfs/dbraw/zinc/36/18/29/563361829.db2.gz JHHDDZOMLMYYMR-UHFFFAOYSA-N -2 0 394.272 2.787 20 0 GFADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000320611121 563446918 /nfs/dbraw/zinc/44/69/18/563446918.db2.gz ZXKOFLCVIUHSEA-UHFFFAOYSA-N -2 0 375.811 2.907 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2cccc(-c3n[nH]c(C)n3)c2)sc1C(=O)[O-] ZINC000326577902 563455247 /nfs/dbraw/zinc/45/52/47/563455247.db2.gz CREBOWPXVIITDW-UHFFFAOYSA-N -2 0 378.435 2.649 20 0 GFADRL CCNC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)c(C)c1 ZINC000327349330 563457856 /nfs/dbraw/zinc/45/78/56/563457856.db2.gz UEWFQEUULXYKFM-UHFFFAOYSA-N -2 0 382.463 2.614 20 0 GFADRL Cc1ccc(NC(=O)N(C)C)cc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000435485210 563652856 /nfs/dbraw/zinc/65/28/56/563652856.db2.gz UIMVZWXIDFEKLD-UHFFFAOYSA-N -2 0 383.451 2.649 20 0 GFADRL Cc1cc(Br)cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)c1 ZINC000436997222 563687625 /nfs/dbraw/zinc/68/76/25/563687625.db2.gz WFNLEKZDFFOOPE-UHFFFAOYSA-N -2 0 386.223 2.962 20 0 GFADRL CC(=O)N(C)c1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000438755536 563709681 /nfs/dbraw/zinc/70/96/81/563709681.db2.gz NGCZGLXFUAZXAP-UHFFFAOYSA-N -2 0 382.825 2.822 20 0 GFADRL COC(=O)[C@H](C)c1ccc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc1 ZINC000414402705 563734423 /nfs/dbraw/zinc/73/44/23/563734423.db2.gz YPBPBWSBIVLHRY-SNVBAGLBSA-N -2 0 383.447 2.832 20 0 GFADRL Cn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)c(Cl)c2F)c(C2CC2)n1 ZINC000291250502 563736055 /nfs/dbraw/zinc/73/60/55/563736055.db2.gz XYYZTGSUZRJSRU-UHFFFAOYSA-N -2 0 391.783 2.728 20 0 GFADRL CC(C)(C)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1C(N)=O ZINC000446622584 563866664 /nfs/dbraw/zinc/86/66/64/563866664.db2.gz DURSBQSYMHOEMH-UHFFFAOYSA-N -2 0 382.463 2.644 20 0 GFADRL COC(=O)c1nscc1S(=O)(=O)[N-]c1c(C(=O)[O-])cccc1C(C)C ZINC000447339834 563880821 /nfs/dbraw/zinc/88/08/21/563880821.db2.gz IAVJHNCUVPIYJF-UHFFFAOYSA-N -2 0 384.435 2.552 20 0 GFADRL COCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)[O-])c1 ZINC000506729442 564211205 /nfs/dbraw/zinc/21/12/05/564211205.db2.gz IHLMRNGAITUUCJ-UHFFFAOYSA-N -2 0 385.825 2.994 20 0 GFADRL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2ccccc2OCC(F)F)c1 ZINC000474299167 564273233 /nfs/dbraw/zinc/27/32/33/564273233.db2.gz XOPZJPGDLLCFNJ-UHFFFAOYSA-N -2 0 375.324 2.969 20 0 GFADRL COC(=O)c1sccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C ZINC000476256157 564332257 /nfs/dbraw/zinc/33/22/57/564332257.db2.gz HLXAISFDRBZPRG-UHFFFAOYSA-N -2 0 389.838 2.996 20 0 GFADRL Cc1c(Cl)cc(S(=O)(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1C(=O)[O-] ZINC000479281110 564434456 /nfs/dbraw/zinc/43/44/56/564434456.db2.gz MCCUKSBSBDZIHH-UHFFFAOYSA-N -2 0 387.772 2.985 20 0 GFADRL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000546535003 564457901 /nfs/dbraw/zinc/45/79/01/564457901.db2.gz NZPZRLSDHQBDDW-UHFFFAOYSA-N -2 0 383.809 2.775 20 0 GFADRL COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc(C)c1C(=O)[O-] ZINC000548521542 564555742 /nfs/dbraw/zinc/55/57/42/564555742.db2.gz VFIZPQHMNPUATL-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL COCCOc1c(Cl)cccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000519124289 564569991 /nfs/dbraw/zinc/56/99/91/564569991.db2.gz MILASAQIJLCKMX-UHFFFAOYSA-N -2 0 385.825 2.864 20 0 GFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(F)ccc2Br)c(O)c1 ZINC000484494088 564589392 /nfs/dbraw/zinc/58/93/92/564589392.db2.gz CKGMKMAKFGMRLY-UHFFFAOYSA-N -2 0 390.186 2.793 20 0 GFADRL CCOc1cc2c(cc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1)O[C@@H](C)C2 ZINC000520700059 564610460 /nfs/dbraw/zinc/61/04/60/564610460.db2.gz ZNNOVZQYZPHMKK-VIFPVBQESA-N -2 0 383.447 2.969 20 0 GFADRL COC(=O)c1ccc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cc1Cl ZINC000485289550 564611711 /nfs/dbraw/zinc/61/17/11/564611711.db2.gz KKWIXNKTESBGQO-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL COC(=O)c1cccc(Cl)c1S(=O)(=O)[N-]c1cccc(CC(=O)[O-])c1 ZINC000551470649 564650483 /nfs/dbraw/zinc/65/04/83/564650483.db2.gz SQWYGYWKQKJVNI-UHFFFAOYSA-N -2 0 383.809 2.555 20 0 GFADRL Cc1cc(C)c([N-]S(=O)(=O)c2ccc(Br)cn2)c(C(=O)[O-])c1 ZINC000576802530 564719960 /nfs/dbraw/zinc/71/99/60/564719960.db2.gz MJFJRGCJEFSAIC-UHFFFAOYSA-N -2 0 385.239 2.960 20 0 GFADRL CCc1ncc(S(=O)(=O)N[C@@H](CC(=O)[O-])c2ccc(SC)cc2)s1 ZINC000579469460 564748413 /nfs/dbraw/zinc/74/84/13/564748413.db2.gz FKSBRRZRTRAQRO-LBPRGKRZSA-N -2 0 386.520 2.922 20 0 GFADRL Cc1nn(C)c(S(=O)(=O)[N-]c2c(C)cc(F)cc2C(=O)[O-])c1C(F)F ZINC000580408375 564757586 /nfs/dbraw/zinc/75/75/86/564757586.db2.gz OWOXYMLSVMCHJV-UHFFFAOYSA-N -2 0 377.344 2.613 20 0 GFADRL O=C([N-]c1nnc([N-]S(=O)(=O)c2ccccc2)s1)c1sccc1F ZINC000555422421 564793420 /nfs/dbraw/zinc/79/34/20/564793420.db2.gz ZNXBIQKXMZZUEB-UHFFFAOYSA-N -2 0 384.439 2.792 20 0 GFADRL COC(=O)c1sccc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C ZINC000499575919 564931273 /nfs/dbraw/zinc/93/12/73/564931273.db2.gz QTCLQDZWOXIAHR-UHFFFAOYSA-N -2 0 389.838 2.996 20 0 GFADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000534402505 564987900 /nfs/dbraw/zinc/98/79/00/564987900.db2.gz XXUYTKJBBVLGCF-UHFFFAOYSA-N -2 0 379.287 2.751 20 0 GFADRL Cc1ccc(O)c([N-]S(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2)c1 ZINC000534974058 565000246 /nfs/dbraw/zinc/00/02/46/565000246.db2.gz JIXNNGHMWXZSFX-UHFFFAOYSA-N -2 0 386.223 2.962 20 0 GFADRL CCn1cnnc1-c1cccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000614787809 565133243 /nfs/dbraw/zinc/13/32/43/565133243.db2.gz VSXDDZZPFCXWAW-UHFFFAOYSA-N -2 0 378.435 2.526 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)NCC(F)(F)c1ccccc1C ZINC000663429886 565419993 /nfs/dbraw/zinc/41/99/93/565419993.db2.gz JXVDGOIGNDEGEC-UHFFFAOYSA-N -2 0 391.417 2.834 20 0 GFADRL CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-]c1ccc(F)c(F)c1[O-] ZINC000629301035 565839692 /nfs/dbraw/zinc/83/96/92/565839692.db2.gz XGZNRNKRHXAIDU-GFCCVEGCSA-N -2 0 375.368 2.809 20 0 GFADRL CC[C@H](C(=O)[O-])N(C)C(=O)c1cc(Br)c([O-])c(Br)c1 ZINC000653344196 565963826 /nfs/dbraw/zinc/96/38/26/565963826.db2.gz QQDUBIFKLNDKEL-SECBINFHSA-N -2 0 395.047 2.852 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2O)cc1C(=O)[O-] ZINC000608005074 565996261 /nfs/dbraw/zinc/99/62/61/565996261.db2.gz KTUJSNYWAHVITE-UHFFFAOYSA-N -2 0 386.223 2.962 20 0 GFADRL Cc1ccc([C@@H]([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)C(F)(F)F)o1 ZINC000656181820 566111555 /nfs/dbraw/zinc/11/15/55/566111555.db2.gz WQPKRDIXHQHUSJ-CQSZACIVSA-N -2 0 377.340 2.797 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2OC[C@@H]2CCCCO2)o1 ZINC000740188034 599739644 /nfs/dbraw/zinc/73/96/44/599739644.db2.gz YYZXRICHVKRMIK-LBPRGKRZSA-N -2 0 381.406 2.727 20 0 GFADRL O=C([O-])C[C@H]1CN(S(=O)(=O)c2ccsc2C(=O)[O-])c2ccccc2S1 ZINC000739648047 599753406 /nfs/dbraw/zinc/75/34/06/599753406.db2.gz KZFKXFUQJUCVRM-VIFPVBQESA-N -2 0 399.471 2.591 20 0 GFADRL C[C@@]1(C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)CCCc2ccccc21 ZINC000736728032 599798582 /nfs/dbraw/zinc/79/85/82/599798582.db2.gz JEPVGQFQDZISEX-HXUWFJFHSA-N -2 0 387.457 2.625 20 0 GFADRL Cc1c[nH]c(=O)n1-c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000738306176 599801723 /nfs/dbraw/zinc/80/17/23/599801723.db2.gz XHMUCXAWCUESBU-UHFFFAOYSA-N -2 0 391.380 2.524 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ncc(Cc3cccc(F)c3)s2)o1 ZINC000740186659 599802893 /nfs/dbraw/zinc/80/28/93/599802893.db2.gz NBFMOOXJSSHLMV-UHFFFAOYSA-N -2 0 382.394 2.965 20 0 GFADRL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(SC)cc1 ZINC000737718335 599815164 /nfs/dbraw/zinc/81/51/64/599815164.db2.gz QQWSYOZFNZCBFG-UHFFFAOYSA-N -2 0 387.460 2.756 20 0 GFADRL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1cnn(Cc2ccccc2)c1 ZINC000509599634 599850820 /nfs/dbraw/zinc/85/08/20/599850820.db2.gz HCRYSXHJHRHQQK-UHFFFAOYSA-N -2 0 375.381 2.570 20 0 GFADRL COC(=O)CCc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cc1 ZINC000489713356 599853205 /nfs/dbraw/zinc/85/32/05/599853205.db2.gz WYGZWGULKRSGBA-UHFFFAOYSA-N -2 0 397.836 2.945 20 0 GFADRL CCOc1ccc(S(=O)(=O)Nc2ccc(CCC(=O)[O-])cc2)cc1C(=O)[O-] ZINC000737211086 599853294 /nfs/dbraw/zinc/85/32/94/599853294.db2.gz VUIYQIYNPNOENT-UHFFFAOYSA-N -2 0 393.417 2.602 20 0 GFADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccnn1CCc1ccccc1 ZINC000738277189 599907655 /nfs/dbraw/zinc/90/76/55/599907655.db2.gz PVWKMNLSUHYJGF-UHFFFAOYSA-N -2 0 385.445 2.933 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2cc3c(cc2Cl)NC(=O)C3)ccc1C(=O)[O-] ZINC000066290398 599925876 /nfs/dbraw/zinc/92/58/76/599925876.db2.gz YZIRRYIWSJGOLE-UHFFFAOYSA-N -2 0 380.809 2.642 20 0 GFADRL CNC(=O)c1cccc([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])c1 ZINC000737551604 600051737 /nfs/dbraw/zinc/05/17/37/600051737.db2.gz JCMWVCIIEQIJLP-UHFFFAOYSA-N -2 0 390.442 2.760 20 0 GFADRL Cc1nc([N-]S(=O)(=O)c2ccccc2Br)sc1C(=O)[O-] ZINC000738364913 600054673 /nfs/dbraw/zinc/05/46/73/600054673.db2.gz YRZMEQLODKYUJW-UHFFFAOYSA-N -2 0 377.241 2.713 20 0 GFADRL Cc1cccnc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Br ZINC000738790454 600102313 /nfs/dbraw/zinc/10/23/13/600102313.db2.gz WUXYGDGWXCNAMM-UHFFFAOYSA-N -2 0 389.202 2.791 20 0 GFADRL O=C([O-])CCOc1ccc(S(=O)(=O)[N-]c2cc(-c3cccs3)[nH]n2)cc1 ZINC000739738488 600179710 /nfs/dbraw/zinc/17/97/10/600179710.db2.gz HWACBEJTVWDMND-UHFFFAOYSA-N -2 0 393.446 2.793 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(N3CCCC3=O)c2)c(F)cc1F ZINC000740089701 600231491 /nfs/dbraw/zinc/23/14/91/600231491.db2.gz IPEMMLZKIWJSQF-UHFFFAOYSA-N -2 0 396.371 2.591 20 0 GFADRL O=C([O-])c1ccc2c(c1)CCCN2S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000740188968 600236081 /nfs/dbraw/zinc/23/60/81/600236081.db2.gz MFOSZVPTEZSUMA-UHFFFAOYSA-N -2 0 397.355 2.503 20 0 GFADRL CCCn1cc([C@H]2NC(=O)N(Cc3ccc(C(=O)[O-])cc3)C(C)=C2C(=O)[O-])cn1 ZINC000737049623 600254058 /nfs/dbraw/zinc/25/40/58/600254058.db2.gz DXPCXMDWMNCITL-QGZVFWFLSA-N -2 0 398.419 2.616 20 0 GFADRL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]c1ccc(CN(C)C(=O)[O-])cc1 ZINC000737695830 600300778 /nfs/dbraw/zinc/30/07/78/600300778.db2.gz VGJDRAGNTLEOCG-UHFFFAOYSA-N -2 0 396.396 2.523 20 0 GFADRL CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(CNC(=O)[O-])cc2)s1 ZINC000736144705 600302273 /nfs/dbraw/zinc/30/22/73/600302273.db2.gz GVGQIXSWEVPJBJ-JTQLQIEISA-N -2 0 397.478 2.514 20 0 GFADRL O=C([O-])CSCc1cccc(NC(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)c1 ZINC000739871179 600364182 /nfs/dbraw/zinc/36/41/82/600364182.db2.gz LLEWJZBVJXGGAW-UHFFFAOYSA-N -2 0 385.401 2.600 20 0 GFADRL C[C@H](CSc1ccccc1)C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000736619317 600420174 /nfs/dbraw/zinc/42/01/74/600420174.db2.gz YRNQYFOFWVAVGG-SNVBAGLBSA-N -2 0 385.488 2.680 20 0 GFADRL CC[C@@H](Sc1ccccc1)C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000736928349 600421747 /nfs/dbraw/zinc/42/17/47/600421747.db2.gz HDXLPLBCXXZUKK-MRXNPFEDSA-N -2 0 393.486 2.902 20 0 GFADRL C[C@H](CSc1ccccc1)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000736619264 600421817 /nfs/dbraw/zinc/42/18/17/600421817.db2.gz XPFZKIGTYQMQLH-SNVBAGLBSA-N -2 0 385.488 2.680 20 0 GFADRL C[C@@H](c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cc1)N1CCOCC1 ZINC000736718167 600423564 /nfs/dbraw/zinc/42/35/64/600423564.db2.gz RGRYBHHJFRRTEL-LBPRGKRZSA-N -2 0 396.490 2.640 20 0 GFADRL Cc1cc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c(C)n1[C@H](C)c1ccccc1 ZINC000738332573 600465114 /nfs/dbraw/zinc/46/51/14/600465114.db2.gz JTXBCZMYJHLBDD-CQSZACIVSA-N -2 0 392.477 2.639 20 0 GFADRL COc1ccccc1CC(C)(C)C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000738124132 600549766 /nfs/dbraw/zinc/54/97/66/600549766.db2.gz LCFKSBRLGOIHKM-UHFFFAOYSA-N -2 0 397.474 2.529 20 0 GFADRL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC000738342701 600637832 /nfs/dbraw/zinc/63/78/32/600637832.db2.gz OVHVPEIQZDCBPF-UHFFFAOYSA-N -3 0 385.781 2.551 20 0 GFADRL CC(C)[C@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000736358322 600658067 /nfs/dbraw/zinc/65/80/67/600658067.db2.gz IWULNEDRCDAQMT-ZDUSSCGKSA-N -2 0 381.475 2.766 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])c(F)cc2F)cc1Cl ZINC000392983678 600673128 /nfs/dbraw/zinc/67/31/28/600673128.db2.gz GVWUGWPREQKTHG-UHFFFAOYSA-N -2 0 391.735 2.815 20 0 GFADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2cc(F)cc(C(=O)[O-])c2F)c1 ZINC000740133770 600678956 /nfs/dbraw/zinc/67/89/56/600678956.db2.gz DAGHMZCOVLADBN-UHFFFAOYSA-N -2 0 391.735 2.815 20 0 GFADRL CCOCCOc1ccc(Cl)cc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000263985227 600680830 /nfs/dbraw/zinc/68/08/30/600680830.db2.gz LANIDPPGLWMDRQ-UHFFFAOYSA-N -2 0 388.829 2.582 20 0 GFADRL C[C@@H](CN(Cc1ccccc1)C(=O)c1nn(-c2ccccc2)cc1[O-])C(=O)[O-] ZINC000827455924 600724262 /nfs/dbraw/zinc/72/42/62/600724262.db2.gz PKKQOVYGYBYMRD-HNNXBMFYSA-N -2 0 379.416 2.941 20 0 GFADRL Cn1cc(S(=O)(=O)[N-]c2ccc(-c3cn4ccccc4n3)cc2)cc1C(=O)[O-] ZINC000833055560 600830393 /nfs/dbraw/zinc/83/03/93/600830393.db2.gz YRTVRRMWUYTWDI-UHFFFAOYSA-N -2 0 396.428 2.839 20 0 GFADRL Cc1ccc(-n2[n-]c(C(=O)N(Cc3ccccc3)C[C@H](C)C(=O)[O-])cc2=O)cc1 ZINC000832910156 600837710 /nfs/dbraw/zinc/83/77/10/600837710.db2.gz QDMZACPRZJBXQZ-INIZCTEOSA-N -2 0 393.443 2.837 20 0 GFADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000736424195 600894250 /nfs/dbraw/zinc/89/42/50/600894250.db2.gz RYSPUMZDFOTQMQ-SNVBAGLBSA-N -2 0 381.431 2.522 20 0 GFADRL COC(=O)C(C)(C)c1ccc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])cc1 ZINC000737562422 600900415 /nfs/dbraw/zinc/90/04/15/600900415.db2.gz KIEAFXDTZBFKPW-UHFFFAOYSA-N -2 0 383.447 2.698 20 0 GFADRL CC(=O)Nc1ccc2nc([N-]S(=O)(=O)c3csc(C(=O)[O-])c3)sc2c1 ZINC000825913339 600976059 /nfs/dbraw/zinc/97/60/59/600976059.db2.gz OXPGYVPVFREWJR-UHFFFAOYSA-N -2 0 397.459 2.815 20 0 GFADRL Cc1ccc(Cn2nccc2[N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)o1 ZINC000832935979 600981227 /nfs/dbraw/zinc/98/12/27/600981227.db2.gz UUERIRVAYDMAQG-UHFFFAOYSA-N -2 0 395.824 2.985 20 0 GFADRL CN(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2cnn(-c3ccccc3F)c2)cc1 ZINC000737336227 601047375 /nfs/dbraw/zinc/04/73/75/601047375.db2.gz NPKKTKNVNNDVCG-UHFFFAOYSA-N -2 0 390.396 2.926 20 0 GFADRL Cc1ccc(S(=O)(=O)N(CCC(=O)[O-])c2cccc(F)c2)cc1C(=O)[O-] ZINC000738652269 601117285 /nfs/dbraw/zinc/11/72/85/601117285.db2.gz ISICIXIOJPMNHF-UHFFFAOYSA-N -2 0 381.381 2.502 20 0 GFADRL Cc1ccc2[nH]cc(CCC(=O)[N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)c2c1 ZINC000832959796 601192895 /nfs/dbraw/zinc/19/28/95/601192895.db2.gz YUQLAJFIPUQEKN-UHFFFAOYSA-N -2 0 386.429 2.612 20 0 GFADRL COCc1nc2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(F)cc3F)ccc2o1 ZINC000831831361 601230118 /nfs/dbraw/zinc/23/01/18/601230118.db2.gz IVBKCRPFEXMKSP-UHFFFAOYSA-N -2 0 398.343 2.751 20 0 GFADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)n1 ZINC000832889596 601243780 /nfs/dbraw/zinc/24/37/80/601243780.db2.gz JWNWECUQISXDJZ-UHFFFAOYSA-N -2 0 383.379 2.996 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2ccc([S@@](=O)C(F)(F)F)cc2)cc1C(=O)[O-] ZINC000833029073 601250942 /nfs/dbraw/zinc/25/09/42/601250942.db2.gz AOTDDHWRIUHGBP-XMMPIXPASA-N -2 0 397.352 2.714 20 0 GFADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)n1 ZINC000248608138 601278654 /nfs/dbraw/zinc/27/86/54/601278654.db2.gz VYAZPMXPMRFOHC-RCBQFDQVSA-N -2 0 387.411 2.883 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2N2CCOC2=O)c1C ZINC000726518844 601328333 /nfs/dbraw/zinc/32/83/33/601328333.db2.gz KBYXXMQYOWYDDP-UHFFFAOYSA-N -2 0 390.417 2.759 20 0 GFADRL CCOC(=O)c1sc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)nc1C ZINC000829895317 601358925 /nfs/dbraw/zinc/35/89/25/601358925.db2.gz OBOHHQYPAXAAPD-RMKNXTFCSA-N -2 0 396.446 2.527 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-n2ccnc2)c(F)c1 ZINC000832204135 601360289 /nfs/dbraw/zinc/36/02/89/601360289.db2.gz FUYXUUWMRLNRAQ-UHFFFAOYSA-N -2 0 391.380 2.519 20 0 GFADRL O=C([O-])c1cc(-c2csc([N-]S(=O)(=O)Cc3cccc(F)c3)n2)c[nH]1 ZINC000833293943 601474521 /nfs/dbraw/zinc/47/45/21/601474521.db2.gz JLGHDYJCYYTYKL-UHFFFAOYSA-N -2 0 381.410 2.917 20 0 GFADRL CC(C)COc1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])cn1 ZINC000826905396 601483770 /nfs/dbraw/zinc/48/37/70/601483770.db2.gz IBGWIXXYGNMQAB-UHFFFAOYSA-N -2 0 385.829 2.664 20 0 GFADRL CC(C)Cc1nnc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)s1 ZINC000323357658 601501673 /nfs/dbraw/zinc/50/16/73/601501673.db2.gz ASPPPHBZLROWRG-UHFFFAOYSA-N -2 0 375.859 2.889 20 0 GFADRL C[C@@H]1CC/C(=C\C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000828201726 601546250 /nfs/dbraw/zinc/54/62/50/601546250.db2.gz VJRHAPGRFLXXFQ-RAJVOEEQSA-N -2 0 391.367 2.955 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cc(-c2ccccc2C)[nH]n1 ZINC000831939336 601604727 /nfs/dbraw/zinc/60/47/27/601604727.db2.gz IFOOLZBVARXDLD-UHFFFAOYSA-N -2 0 393.446 2.954 20 0 GFADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ncc(Cc2cccc(F)c2)s1 ZINC000833346122 601767780 /nfs/dbraw/zinc/76/77/80/601767780.db2.gz KPPDIRSGDFECIZ-UHFFFAOYSA-N -2 0 399.450 2.829 20 0 GFADRL O=C([O-])c1ccc(Br)c(S(=O)(=O)[N-]c2cc(Cl)ccn2)c1 ZINC000236486475 601768921 /nfs/dbraw/zinc/76/89/21/601768921.db2.gz NODBBZQPCUGENZ-UHFFFAOYSA-N -2 0 391.630 2.997 20 0 GFADRL Cc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2C(=O)[O-])c(C)n1 ZINC000832952874 601771344 /nfs/dbraw/zinc/77/13/44/601771344.db2.gz IINXOYNRQIHTSF-UHFFFAOYSA-N -2 0 385.239 2.960 20 0 GFADRL O=C([O-])c1nc(Cl)ccc1S(=O)(=O)[N-]c1cccc(-c2cc[nH]n2)c1 ZINC000833344703 601835031 /nfs/dbraw/zinc/83/50/31/601835031.db2.gz GORBEHUYVSPLFW-UHFFFAOYSA-N -2 0 378.797 2.624 20 0 GFADRL Cc1cc(F)cc(C(=O)[O-])c1NS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000832887589 601838991 /nfs/dbraw/zinc/83/89/91/601838991.db2.gz OEBKZSNVGALUPO-UHFFFAOYSA-N -2 0 389.307 2.610 20 0 GFADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ccc(Oc2ccncc2)cc1 ZINC000833346720 601840157 /nfs/dbraw/zinc/84/01/57/601840157.db2.gz UTWGEVPSBIULOX-UHFFFAOYSA-N -2 0 377.403 2.829 20 0 GFADRL Cc1cc(CCCC(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])c(C)s1 ZINC000832881569 601843383 /nfs/dbraw/zinc/84/33/83/601843383.db2.gz GUJBUMQLBMHAJI-UHFFFAOYSA-N -2 0 387.504 2.952 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccnc2N2CCCC2)ccc1Cl ZINC000326780452 601843645 /nfs/dbraw/zinc/84/36/45/601843645.db2.gz OQXBMAVFPLFVAW-UHFFFAOYSA-N -2 0 381.841 2.834 20 0 GFADRL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccnn1Cc1ccccc1 ZINC000833295066 601847583 /nfs/dbraw/zinc/84/75/83/601847583.db2.gz YCADNDZGNOJBRT-UHFFFAOYSA-N -2 0 375.381 2.570 20 0 GFADRL CCn1cnnc1-c1ccccc1[N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000830434155 601847764 /nfs/dbraw/zinc/84/77/64/601847764.db2.gz BBOMIJBJOPQGFG-UHFFFAOYSA-N -2 0 390.396 2.603 20 0 GFADRL COc1ccccc1-c1cc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])n[nH]1 ZINC000832578255 601863041 /nfs/dbraw/zinc/86/30/41/601863041.db2.gz UTQBMINGPGLKSZ-UHFFFAOYSA-N -2 0 391.380 2.723 20 0 GFADRL CS(=O)(=O)[N-]c1cc2ccccc2cc1C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000776209506 601918024 /nfs/dbraw/zinc/91/80/24/601918024.db2.gz WHBHRPYCLAXWTE-UHFFFAOYSA-N -2 0 398.440 2.840 20 0 GFADRL Cc1cc(S(=O)(=O)Nc2cc(C(=O)[O-])c(F)cc2F)cc(C(=O)[O-])c1F ZINC000832903778 601983885 /nfs/dbraw/zinc/98/38/85/601983885.db2.gz UFCASMZSXBRESE-UHFFFAOYSA-N -2 0 389.307 2.610 20 0 GFADRL Cc1cc(S(=O)(=O)N2CCCc3cc(C(=O)[O-])ccc32)cc(C(=O)[O-])c1F ZINC000763281664 601984415 /nfs/dbraw/zinc/98/44/15/601984415.db2.gz QTPICTVUHRQURR-UHFFFAOYSA-N -2 0 393.392 2.672 20 0 GFADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000832852671 601984782 /nfs/dbraw/zinc/98/47/82/601984782.db2.gz FQKDPPYJOFEQOQ-UHFFFAOYSA-N -2 0 395.458 2.812 20 0 GFADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC000832852826 601984847 /nfs/dbraw/zinc/98/48/47/601984847.db2.gz LUROLLRAJDOPTL-UHFFFAOYSA-N -2 0 393.417 2.738 20 0 GFADRL COc1ccsc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1N1CCCC1 ZINC000832642866 602101845 /nfs/dbraw/zinc/10/18/45/602101845.db2.gz JMLJSFQLYCIJDR-UHFFFAOYSA-N -2 0 382.463 2.856 20 0 GFADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cc(-c2cccc(F)c2F)[nH]n1 ZINC000833334879 602119626 /nfs/dbraw/zinc/11/96/26/602119626.db2.gz JBKMJBFKGKCPTC-UHFFFAOYSA-N -2 0 379.344 2.854 20 0 GFADRL Cc1noc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Br)c1C ZINC000833022400 602212853 /nfs/dbraw/zinc/21/28/53/602212853.db2.gz LOBITNQYSYVUQK-UHFFFAOYSA-N -2 0 393.190 2.692 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])ccc1Cl ZINC000740715543 602246252 /nfs/dbraw/zinc/24/62/52/602246252.db2.gz DZMQPGPFZYGBHH-UHFFFAOYSA-N -2 0 396.808 2.880 20 0 GFADRL O=C([O-])N1CCc2cc([N-]S(=O)(=O)c3c(Cl)nc4sccn43)ccc21 ZINC000740529980 602296574 /nfs/dbraw/zinc/29/65/74/602296574.db2.gz RKKDBEWXYXLPBU-UHFFFAOYSA-N -2 0 398.853 2.891 20 0 GFADRL Cc1ccn(-c2ccccc2[N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])n1 ZINC000832982655 602309988 /nfs/dbraw/zinc/30/99/88/602309988.db2.gz PJYJSSRPYKVCEB-UHFFFAOYSA-N -2 0 375.406 2.890 20 0 GFADRL Cc1ccccc1S(=O)(=O)[N-]C(=O)CC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000740192340 602670198 /nfs/dbraw/zinc/67/01/98/602670198.db2.gz ZHLRPCLXIPSLTN-OAHLLOKOSA-N -2 0 376.434 2.589 20 0 GFADRL O=C([O-])N1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000740458401 602959476 /nfs/dbraw/zinc/95/94/76/602959476.db2.gz WYQVNTAZJYBSSF-HNNXBMFYSA-N -2 0 380.466 2.539 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc([C@H](C)NC(=O)[O-])cc2)cs1 ZINC000828761481 603400851 /nfs/dbraw/zinc/40/08/51/603400851.db2.gz VZGDGOZRLAIMTB-VIFPVBQESA-N -2 0 384.435 2.664 20 0 GFADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N(C)C2CCC(NC(=O)[O-])CC2)n1 ZINC000830067706 603553449 /nfs/dbraw/zinc/55/34/49/603553449.db2.gz BZRWHEOORCYNLP-UHFFFAOYSA-N -2 0 390.415 2.676 20 0 GFADRL O=C([O-])NC1CCN(C(=O)c2cc(Cl)cc(Br)c2[O-])CC1 ZINC000832376525 603747678 /nfs/dbraw/zinc/74/76/78/603747678.db2.gz WSCRCDGHPKREJO-UHFFFAOYSA-N -2 0 377.622 2.680 20 0 GFADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)N(C)C3CCN(C(=O)[O-])CC3)n2)c1 ZINC000824469878 603838878 /nfs/dbraw/zinc/83/88/78/603838878.db2.gz GXKJQUXZRMZLFP-UHFFFAOYSA-N -2 0 386.452 2.916 20 0 GFADRL Cc1cc(C)c(S(=O)(=O)Nc2cccc3c2CCN3C(=O)[O-])cc1C(=O)[O-] ZINC000829998858 604014156 /nfs/dbraw/zinc/01/41/56/604014156.db2.gz XYUFNWCITPWYQT-UHFFFAOYSA-N -2 0 390.417 2.843 20 0 GFADRL CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc([C@@H](C)NC(=O)[O-])cc2)o1 ZINC000827350055 604044941 /nfs/dbraw/zinc/04/49/41/604044941.db2.gz QCLPXCPSWDSVQJ-SNVBAGLBSA-N -2 0 382.394 2.586 20 0 GFADRL C[C@@H](NC(=O)[O-])c1ccc(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cc1 ZINC000825449659 604200368 /nfs/dbraw/zinc/20/03/68/604200368.db2.gz WBUZDGWHUYKBNZ-SECBINFHSA-N -2 0 382.369 2.653 20 0 GFADRL Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@H](NC(=O)[O-])C2)c1C ZINC000829986206 604212848 /nfs/dbraw/zinc/21/28/48/604212848.db2.gz LNRQSJASHXUUKS-CABCVRRESA-N -2 0 382.482 2.552 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2ccc3nc(C)oc3c2)c(OC)c1C(=O)[O-] ZINC000833734565 604861862 /nfs/dbraw/zinc/86/18/62/604861862.db2.gz NATVFVODIDBBEC-UHFFFAOYSA-N -2 0 392.389 2.652 20 0 GFADRL Cc1ccc(F)c(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1C(=O)[O-] ZINC000833749615 604944080 /nfs/dbraw/zinc/94/40/80/604944080.db2.gz PIKATWYTAYATAU-UHFFFAOYSA-N -2 0 389.307 2.610 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(-c2ccccc2)c1C ZINC000435132173 605009621 /nfs/dbraw/zinc/00/96/21/605009621.db2.gz IGTXPJHJKWJTBW-UHFFFAOYSA-N -2 0 387.417 2.688 20 0 GFADRL CC(=O)N1CCCc2ccc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])s3)cc21 ZINC000833394002 605022369 /nfs/dbraw/zinc/02/23/69/605022369.db2.gz RGQMTAFJYQLNDQ-UHFFFAOYSA-N -2 0 380.447 2.546 20 0 GFADRL O=C([O-])c1csc([N-]S(=O)(=O)c2ccc(C(=O)N3CCCC3)c(F)c2)c1 ZINC000833784587 605029229 /nfs/dbraw/zinc/02/92/29/605029229.db2.gz CXVLJVLLGPBCTI-UHFFFAOYSA-N -2 0 398.437 2.622 20 0 GFADRL C[C@H](CC(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1)C1CCN(C(=O)[O-])CC1 ZINC000824680260 605079903 /nfs/dbraw/zinc/07/99/03/605079903.db2.gz SRFNBWCFXFFKFA-KGLIPLIRSA-N -2 0 382.482 2.610 20 0 GFADRL CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2ccccc2NC(=O)[O-])c1C ZINC000827339301 605339088 /nfs/dbraw/zinc/33/90/88/605339088.db2.gz TUMLRTKGQARWCM-UHFFFAOYSA-N -2 0 381.410 2.699 20 0 GFADRL CS(=O)(=O)[N-]c1cc(F)ccc1C(=O)OCc1cccc(NC(=O)[O-])c1 ZINC000829691498 605542683 /nfs/dbraw/zinc/54/26/83/605542683.db2.gz JWQKRZHVWLTGQO-UHFFFAOYSA-N -2 0 382.369 2.644 20 0 GFADRL O=C([O-])NC[C@@H](NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-])c1ccc2ccccc2c1 ZINC000834208764 605622441 /nfs/dbraw/zinc/62/24/41/605622441.db2.gz VTJZZIQQEOUJEH-FGTMMUONSA-N -2 0 382.416 2.932 20 0 GFADRL CC[C@@H](C)[C@H](C)C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000833639842 605679966 /nfs/dbraw/zinc/67/99/66/605679966.db2.gz ZFIIWVADINYBQY-BDAKNGLRSA-N -2 0 381.372 2.891 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2cnc3c(c2)CN(C(=O)[O-])CC3)c(F)cc1F ZINC000833901653 605876581 /nfs/dbraw/zinc/87/65/81/605876581.db2.gz RKEXTZBBSBAJAB-UHFFFAOYSA-N -2 0 383.376 2.505 20 0 GFADRL O=C([O-])CN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000834065423 606048598 /nfs/dbraw/zinc/04/85/98/606048598.db2.gz MCDZPWRGVLZROH-WCQYABFASA-N -2 0 388.342 2.555 20 0 GFADRL O=C([O-])c1cccc(CNC(=O)C2(c3ccccc3)CCN(C(=O)[O-])CC2)c1 ZINC000834283777 606058562 /nfs/dbraw/zinc/05/85/62/606058562.db2.gz XALNAEJMKCWSBL-UHFFFAOYSA-N -2 0 382.416 2.713 20 0 GFADRL O=C([O-])N[C@@H]1CCc2ncc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1 ZINC000834192914 606080127 /nfs/dbraw/zinc/08/01/27/606080127.db2.gz HTKQYZWPUVONCU-GFCCVEGCSA-N -2 0 381.841 2.661 20 0 GFADRL Cc1c(C(=O)[O-])cc(Br)cc1S(=O)(=O)[N-]c1ccc(F)nc1 ZINC000165802821 655140619 /nfs/dbraw/zinc/14/06/19/655140619.db2.gz HHXDNHSWALSOIK-UHFFFAOYSA-N -2 0 389.202 2.791 20 0 GFADRL N#Cc1ccc(S(=O)(=O)[N-][N-]C(=O)c2cc3ccccc3o2)c(Cl)c1 ZINC000183082171 655348954 /nfs/dbraw/zinc/34/89/54/655348954.db2.gz RJEXAJHUYZNXJD-UHFFFAOYSA-N -2 0 375.793 2.581 20 0 GFADRL Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3cc(Cl)c([O-])c(Cl)c3)ccc21 ZINC000184533458 655357730 /nfs/dbraw/zinc/35/77/30/655357730.db2.gz LHLZUTHWWONPQO-UHFFFAOYSA-N -2 0 389.216 2.945 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Br)nc2)cc1Cl ZINC000222060206 655421979 /nfs/dbraw/zinc/42/19/79/655421979.db2.gz OYBWMJJKCBPTLZ-UHFFFAOYSA-N -2 0 391.630 2.997 20 0 GFADRL CCN(C)C(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)c1 ZINC000574788150 655430750 /nfs/dbraw/zinc/43/07/50/655430750.db2.gz RYHROGPJVGRVHK-UHFFFAOYSA-N -2 0 382.463 2.647 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2O)c(Br)s1 ZINC000751203318 655822856 /nfs/dbraw/zinc/82/28/56/655822856.db2.gz STKWLPCHEULRCS-UHFFFAOYSA-N -2 0 378.225 2.715 20 0 GFADRL Cc1cc(C(N)=O)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1Cl ZINC000753774244 655858373 /nfs/dbraw/zinc/85/83/73/655858373.db2.gz CZKYLYHCDYKVLL-UHFFFAOYSA-N -2 0 382.825 2.555 20 0 GFADRL Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)[O-])cc(C(=O)[O-])c1F ZINC000758148998 655924126 /nfs/dbraw/zinc/92/41/26/655924126.db2.gz QVBWWKCKWLJWQF-UHFFFAOYSA-N -2 0 387.772 2.985 20 0 GFADRL COc1cc(S(=O)(=O)[N-]c2ccc(C[C@@H](C)C(=O)[O-])cc2)cnc1Cl ZINC000767474207 656205600 /nfs/dbraw/zinc/20/56/00/656205600.db2.gz WCHNDEYDDSVWNM-SNVBAGLBSA-N -2 0 384.841 2.808 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(O)cc(F)c2)c(Br)s1 ZINC000768055454 656231486 /nfs/dbraw/zinc/23/14/86/656231486.db2.gz KRRHYWVMNTZJGN-UHFFFAOYSA-N -2 0 396.215 2.854 20 0 GFADRL O=C([O-])c1c(F)cc([N-]S(=O)(=O)c2cccnc2C(F)(F)F)cc1F ZINC000808097209 659876307 /nfs/dbraw/zinc/87/63/07/659876307.db2.gz VCMSGFNPWCSJPJ-UHFFFAOYSA-N -2 0 382.266 2.878 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]C(=O)CCCCC(=O)[O-])cc(Br)c1C ZINC000863955311 662350962 /nfs/dbraw/zinc/35/09/62/662350962.db2.gz HSBQVJBQOLZCSQ-UHFFFAOYSA-N -2 0 392.271 2.516 20 0 GFADRL O=C(N[C@H]1C[C@H](C(=O)[O-])C1)c1cc(Br)c([O-])c(Br)c1 ZINC000902660048 663765478 /nfs/dbraw/zinc/76/54/78/663765478.db2.gz DTRWHQIEJQYFJZ-LJGSYFOKSA-N -2 0 393.031 2.510 20 0 GFADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2ccc(SC(F)(F)F)cc2)C1 ZINC000910190306 664198696 /nfs/dbraw/zinc/19/86/96/664198696.db2.gz WEKQVALYHLOAQD-KOLCDFICSA-N -2 0 377.340 2.689 20 0 GFADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)OC2 ZINC000917731065 664489338 /nfs/dbraw/zinc/48/93/38/664489338.db2.gz IILJDRDTHGBRPV-UHFFFAOYSA-N -2 0 379.415 2.578 20 0 GFADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])c1OC ZINC000436476644 450598914 /nfs/dbraw/zinc/59/89/14/450598914.db2.gz JUFRFRKQLBUCOU-UHFFFAOYSA-N -3 0 387.797 2.562 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(Br)c1 ZINC000013358511 551109003 /nfs/dbraw/zinc/10/90/03/551109003.db2.gz KIRCQLQIBZQWMW-UHFFFAOYSA-N -2 0 386.223 2.957 20 0 GFADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(Br)s2)c1O ZINC000124644073 551316346 /nfs/dbraw/zinc/31/63/46/551316346.db2.gz XNJHKBTWWUWJML-UHFFFAOYSA-N -2 0 378.225 2.715 20 0 GFADRL Cc1ccc(-c2cc([N-]S(=O)(=O)c3ccc(CC(=O)[O-])cc3)n[nH]2)s1 ZINC000153210591 551448662 /nfs/dbraw/zinc/44/86/62/551448662.db2.gz KOUIFAOSXZDKKZ-UHFFFAOYSA-N -2 0 377.447 2.875 20 0 GFADRL CC[C@@H](CCC(=O)[O-])NS(=O)(=O)c1cc(Cl)ccc1OCCCOC ZINC000296858505 563305465 /nfs/dbraw/zinc/30/54/65/563305465.db2.gz DBVSDSAZQHGSMI-ZDUSSCGKSA-N -2 0 393.889 2.677 20 0 GFADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(Br)c(F)c2)c1O ZINC000318698151 563443971 /nfs/dbraw/zinc/44/39/71/563443971.db2.gz HYZYYMLJFXIRSY-UHFFFAOYSA-N -2 0 390.186 2.793 20 0 GFADRL NC(=O)c1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)ccc1Cl ZINC000326633946 563455201 /nfs/dbraw/zinc/45/52/01/563455201.db2.gz RIOBATGWDINNNN-UHFFFAOYSA-N -2 0 389.216 2.591 20 0 GFADRL Cc1ccc([N-]S(=O)(=O)c2cc3c(cc2Cl)NC(=O)C3)cc1C(=O)[O-] ZINC000393129256 563528673 /nfs/dbraw/zinc/52/86/73/563528673.db2.gz UUXPXDCMWQVZHC-UHFFFAOYSA-N -2 0 380.809 2.642 20 0 GFADRL CCc1ccc(O)c([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(Cl)c2)c1 ZINC000433490116 563613978 /nfs/dbraw/zinc/61/39/78/563613978.db2.gz USYHKEVWNVCGGM-UHFFFAOYSA-N -2 0 385.825 2.872 20 0 GFADRL Cn1nc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)c(Cl)c2F)cc1C1CC1 ZINC000290522597 563712606 /nfs/dbraw/zinc/71/26/06/563712606.db2.gz NARYWYPEXVGALE-UHFFFAOYSA-N -2 0 391.783 2.728 20 0 GFADRL Cc1oncc1[N-]S(=O)(=O)c1cc(Br)c(C)c(C(=O)[O-])c1 ZINC000507000580 564215577 /nfs/dbraw/zinc/21/55/77/564215577.db2.gz DVJJHVWCGIKMJG-UHFFFAOYSA-N -2 0 375.200 2.553 20 0 GFADRL C[C@H](Cc1ccc([N-]S(=O)(=O)c2cncc(Br)c2)cc1)C(=O)[O-] ZINC000507903164 564247097 /nfs/dbraw/zinc/24/70/97/564247097.db2.gz PIWPLWTYOLGFCA-SNVBAGLBSA-N -2 0 399.266 2.908 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2cc3c(cc2C(=O)[O-])OCO3)sc1Cl ZINC000473445236 564247334 /nfs/dbraw/zinc/24/73/34/564247334.db2.gz SKNYTWRGDSLBCS-UHFFFAOYSA-N -2 0 375.811 2.938 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)c(C(=O)[O-])c2)cn1 ZINC000507934768 564248390 /nfs/dbraw/zinc/24/83/90/564248390.db2.gz GFXZUVLJBURDKZ-UHFFFAOYSA-N -2 0 377.205 2.896 20 0 GFADRL Cc1cccc(S(=O)(=O)[N-]c2cc3c(c(C(=O)[O-])c2)OCCO3)c1Cl ZINC000540497902 564249828 /nfs/dbraw/zinc/24/98/28/564249828.db2.gz JWLDDBIBXKTGCC-UHFFFAOYSA-N -2 0 383.809 2.919 20 0 GFADRL CCO[C@@H]1C[C@]([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)(C(=O)[O-])C1(C)C ZINC000568000704 564399936 /nfs/dbraw/zinc/39/99/36/564399936.db2.gz AILURLOQQTUNDT-BMIGLBTASA-N -2 0 397.827 2.555 20 0 GFADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2)c1 ZINC000512724456 564409541 /nfs/dbraw/zinc/40/95/41/564409541.db2.gz CWMQFYDLGWISJO-DEOSSOPVSA-N -2 0 385.438 2.512 20 0 GFADRL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1ccn(CC(F)F)n1 ZINC000479453454 564440759 /nfs/dbraw/zinc/44/07/59/564440759.db2.gz HSVGRPOXWXJCJS-UHFFFAOYSA-N -2 0 379.772 2.609 20 0 GFADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1Br ZINC000548248935 564543081 /nfs/dbraw/zinc/54/30/81/564543081.db2.gz UQMHJJWVHFWBIW-YFKPBYRVSA-N -2 0 376.150 2.840 20 0 GFADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@H](CC(=O)[O-])C12CC3CC(CC(C3)C1)C2 ZINC000548531667 564556230 /nfs/dbraw/zinc/55/62/30/564556230.db2.gz UYJQDOKWSCQAEE-DNXSLQQOSA-N -2 0 383.432 2.916 20 0 GFADRL CC(C)=CCSC[C@@H](NS(=O)(=O)c1cc(F)c(F)c(F)c1)C(=O)[O-] ZINC000548590820 564564458 /nfs/dbraw/zinc/56/44/58/564564458.db2.gz AGPSNIYVZTZGKP-GFCCVEGCSA-N -2 0 383.413 2.535 20 0 GFADRL CC(C)=CCSC[C@H](NS(=O)(=O)c1cc(F)c(F)cc1F)C(=O)[O-] ZINC000548591716 564564720 /nfs/dbraw/zinc/56/47/20/564564720.db2.gz MFAGTTNWSXPSBB-LBPRGKRZSA-N -2 0 383.413 2.535 20 0 GFADRL COc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(C(=O)[O-])c2)c(Cl)c1 ZINC000572404151 564593548 /nfs/dbraw/zinc/59/35/48/564593548.db2.gz XEMUMALVLGRCOB-UHFFFAOYSA-N -2 0 385.781 2.546 20 0 GFADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)c(Cl)c1 ZINC000484795478 564598617 /nfs/dbraw/zinc/59/86/17/564598617.db2.gz JPILMFSSBBOXJF-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL CCCc1nc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(C)c2)s1 ZINC000486116878 564639466 /nfs/dbraw/zinc/63/94/66/564639466.db2.gz GPSPOYONVMDBCR-UHFFFAOYSA-N -2 0 384.479 2.977 20 0 GFADRL Cc1ccc(-c2cc([N-]S(=O)(=O)c3cccc(CC(=O)[O-])c3)n[nH]2)s1 ZINC000574127446 564669684 /nfs/dbraw/zinc/66/96/84/564669684.db2.gz DRTARNKJZJPDHZ-UHFFFAOYSA-N -2 0 377.447 2.875 20 0 GFADRL C[S@](=O)Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000489731454 564750887 /nfs/dbraw/zinc/75/08/87/564750887.db2.gz AYVVFPBEPBFYSI-QHCPKHFHSA-N -2 0 387.866 2.718 20 0 GFADRL CCc1ncc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2C(=O)[O-])s1 ZINC000460752840 564780159 /nfs/dbraw/zinc/78/01/59/564780159.db2.gz GLDTXQOJTAUVSV-UHFFFAOYSA-N -2 0 381.479 2.805 20 0 GFADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)N1CCCc2cc(C(=O)[O-])ccc21 ZINC000556351573 564820572 /nfs/dbraw/zinc/82/05/72/564820572.db2.gz BRTGWJLPZHXMDX-UHFFFAOYSA-N -2 0 381.431 2.594 20 0 GFADRL Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(C(F)(F)F)nn1C ZINC000530138087 564866200 /nfs/dbraw/zinc/86/62/00/564866200.db2.gz URAOHPQTYGWSRR-UHFFFAOYSA-N -2 0 377.344 2.555 20 0 GFADRL Cc1nc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(Cl)c2)s1 ZINC000532292524 564934309 /nfs/dbraw/zinc/93/43/09/564934309.db2.gz ZSGMWWGJEDMXLW-UHFFFAOYSA-N -2 0 376.843 2.678 20 0 GFADRL CCc1c([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cnn1-c1ccccc1 ZINC000466472673 564941382 /nfs/dbraw/zinc/94/13/82/564941382.db2.gz GZRNQDVKRVZGQQ-UHFFFAOYSA-N -2 0 377.447 2.995 20 0 GFADRL Cn1cc(S(=O)(=O)[N-]c2ccc(Cl)c(OC(F)F)c2)cc1C(=O)[O-] ZINC000504027821 565033615 /nfs/dbraw/zinc/03/36/15/565033615.db2.gz YXXVKIHIYYZPPS-UHFFFAOYSA-N -2 0 380.756 2.779 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)NC[C@H](C)Oc1ccc(C)cc1 ZINC000563075073 565054742 /nfs/dbraw/zinc/05/47/42/565054742.db2.gz JAHSYTAIOXWHKX-NSHDSACASA-N -2 0 385.463 2.509 20 0 GFADRL COc1cc(S(=O)(=O)[N-]c2cnc(C3CC3)nc2)c(Cl)cc1C(=O)[O-] ZINC000674049945 565857970 /nfs/dbraw/zinc/85/79/70/565857970.db2.gz BZNUKNJQBWWSGO-UHFFFAOYSA-N -2 0 383.813 2.515 20 0 GFADRL Cc1sc(C(N)=O)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C ZINC000676076133 565925314 /nfs/dbraw/zinc/92/53/14/565925314.db2.gz JBHYLOHXVWDBHQ-UHFFFAOYSA-N -2 0 388.854 2.616 20 0 GFADRL CC(C)[C@@H](CNC(=O)N=c1[n-]nc(SCc2ccccc2)s1)C(=O)[O-] ZINC000653534318 565971914 /nfs/dbraw/zinc/97/19/14/565971914.db2.gz GZKXRUSHZNIATN-GFCCVEGCSA-N -2 0 380.495 2.731 20 0 GFADRL Cc1cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)sc1C(=O)[O-] ZINC000656647671 566153280 /nfs/dbraw/zinc/15/32/80/566153280.db2.gz XLWAGEZWBGKQIM-LLVKDONJSA-N -2 0 381.431 2.522 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(N3CCCC3=O)ccc2Cl)o1 ZINC000740177604 599738255 /nfs/dbraw/zinc/73/82/55/599738255.db2.gz LUQYFZYKWDTMSY-UHFFFAOYSA-N -2 0 384.797 2.559 20 0 GFADRL CN(CCCC(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccccc1)C(=O)[O-] ZINC000737430461 599746594 /nfs/dbraw/zinc/74/65/94/599746594.db2.gz BHOPZCGQTNCXPZ-UHFFFAOYSA-N -2 0 391.449 2.816 20 0 GFADRL Cc1nc(CC(C)C)sc1C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000738850954 599793246 /nfs/dbraw/zinc/79/32/46/599793246.db2.gz GIJBSGPQBAMWKI-UHFFFAOYSA-N -2 0 396.490 2.608 20 0 GFADRL Cc1cccc(S(=O)(=O)N2CCCc3cc(C(=O)[O-])ccc32)c1C(=O)[O-] ZINC000738745550 599851386 /nfs/dbraw/zinc/85/13/86/599851386.db2.gz RFBCOZXGCCQKFN-UHFFFAOYSA-N -2 0 375.402 2.533 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)Cc2ccccc2C(F)(F)F)s1 ZINC000739344532 599912325 /nfs/dbraw/zinc/91/23/25/599912325.db2.gz ARVKYYWNRDVQPQ-UHFFFAOYSA-N -2 0 393.364 2.513 20 0 GFADRL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2c(Cl)nc3sccn32)c1 ZINC000321477886 599924102 /nfs/dbraw/zinc/92/41/02/599924102.db2.gz AWZWOXNIMJCFSE-UHFFFAOYSA-N -2 0 375.790 2.687 20 0 GFADRL CC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])cc1 ZINC000736887633 600096965 /nfs/dbraw/zinc/09/69/65/600096965.db2.gz UGQOOXCSVVQVQR-NSHDSACASA-N -2 0 394.424 2.853 20 0 GFADRL COCCOc1cc(C)ccc1[N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000737814308 600097823 /nfs/dbraw/zinc/09/78/23/600097823.db2.gz MWGLSMYUKLUSJF-UHFFFAOYSA-N -2 0 383.397 2.658 20 0 GFADRL COC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1 ZINC000737643309 600233761 /nfs/dbraw/zinc/23/37/61/600233761.db2.gz KPCFALOSKCAUOL-UHFFFAOYSA-N -2 0 386.332 2.642 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)c(F)cc1F ZINC000740090090 600234329 /nfs/dbraw/zinc/23/43/29/600234329.db2.gz RULGCBPCGZOTHL-UHFFFAOYSA-N -3 0 391.735 2.815 20 0 GFADRL Cc1nc([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])sc1-c1ccccc1 ZINC000738363083 600423756 /nfs/dbraw/zinc/42/37/56/600423756.db2.gz BZFVRBUUFJZGLW-UHFFFAOYSA-N -2 0 378.435 2.649 20 0 GFADRL O=C([O-])Nc1ccc(CCNC(=O)c2nn(-c3ccccc3F)cc2[O-])cc1 ZINC000740019241 600464949 /nfs/dbraw/zinc/46/49/49/600464949.db2.gz ATKKLSIMFFZABC-UHFFFAOYSA-N -2 0 384.367 2.779 20 0 GFADRL O=C([O-])Cn1cc([N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)cn1 ZINC000739911638 600530372 /nfs/dbraw/zinc/53/03/72/600530372.db2.gz JDYPIPCCZYZPQJ-UHFFFAOYSA-N -2 0 398.853 2.545 20 0 GFADRL CC1=C(C(=O)[O-])[C@@H](c2cccc(OCC(=O)[O-])c2)NC(=O)N1CCC(C)C ZINC000736750286 600625200 /nfs/dbraw/zinc/62/52/00/600625200.db2.gz JDJCZBHTRMXKDN-QGZVFWFLSA-N -2 0 376.409 2.621 20 0 GFADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2-n2cccn2)cc1 ZINC000193930370 600626262 /nfs/dbraw/zinc/62/62/62/600626262.db2.gz ZMKMOTBLNDIPMI-UHFFFAOYSA-N -2 0 391.836 2.954 20 0 GFADRL Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3cnn(CC(=O)[O-])c3)cc2)cc1 ZINC000832953164 600671792 /nfs/dbraw/zinc/67/17/92/600671792.db2.gz AVBOXFWPCOUSPA-UHFFFAOYSA-N -2 0 387.417 2.869 20 0 GFADRL CN(Cc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cc1)C(=O)[O-] ZINC000830840492 600684417 /nfs/dbraw/zinc/68/44/17/600684417.db2.gz OHYUBYPGJPMFCW-UHFFFAOYSA-N -2 0 398.824 2.949 20 0 GFADRL O=C(/C=C/c1ccnc2ccccc12)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000739217196 600756583 /nfs/dbraw/zinc/75/65/83/600756583.db2.gz XEGWSHOYBKMUKR-MDZDMXLPSA-N -2 0 396.424 2.592 20 0 GFADRL Cc1cc(C(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000738336123 600758451 /nfs/dbraw/zinc/75/84/51/600758451.db2.gz YTYSKJIIMOZXDI-UHFFFAOYSA-N -3 0 382.376 2.818 20 0 GFADRL O=C([O-])C[C@@H]1CN(C(=O)c2nn(-c3ccccc3F)cc2[O-])c2ccccc21 ZINC000833219508 600764230 /nfs/dbraw/zinc/76/42/30/600764230.db2.gz PYWCRUODVYLZJH-GFCCVEGCSA-N -2 0 381.363 2.936 20 0 GFADRL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1OCC1CCOCC1 ZINC000738632516 600784495 /nfs/dbraw/zinc/78/44/95/600784495.db2.gz FERPJLMFVSKYKC-UHFFFAOYSA-N -2 0 395.433 2.892 20 0 GFADRL CCOc1ccc2nc([N-]S(=O)(=O)c3cc(C(=O)[O-])n(C)c3)sc2c1 ZINC000326734926 600827117 /nfs/dbraw/zinc/82/71/17/600827117.db2.gz IBPVGOVNIROQSU-UHFFFAOYSA-N -2 0 381.435 2.533 20 0 GFADRL Cn1cc(S(=O)(=O)[N-]c2cccc(N3CCCCCC3)c2)cc1C(=O)[O-] ZINC000833055567 600830657 /nfs/dbraw/zinc/83/06/57/600830657.db2.gz ZGHSEUCTFOOBLE-UHFFFAOYSA-N -2 0 377.466 2.905 20 0 GFADRL Cc1ccc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])cc1N1CCOC1=O ZINC000832950241 600868275 /nfs/dbraw/zinc/86/82/75/600868275.db2.gz GVHSTHJCVVRUND-UHFFFAOYSA-N -2 0 382.419 2.512 20 0 GFADRL COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)c1 ZINC000525330353 600899328 /nfs/dbraw/zinc/89/93/28/600899328.db2.gz YVCJCXHWZCQKNW-UHFFFAOYSA-N -2 0 379.434 2.867 20 0 GFADRL C[C@@H](CCc1cccc(F)c1)C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000827427287 600937555 /nfs/dbraw/zinc/93/75/55/600937555.db2.gz DCBFFRWKVQFBGP-JTQLQIEISA-N -2 0 385.438 2.659 20 0 GFADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)[C@@H]1CCSc2ccccc21 ZINC000833348551 600938662 /nfs/dbraw/zinc/93/86/62/600938662.db2.gz ZFRJFHLTKYYQNE-SNVBAGLBSA-N -2 0 383.472 2.531 20 0 GFADRL CCCn1nccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Br ZINC000737837454 600976019 /nfs/dbraw/zinc/97/60/19/600976019.db2.gz QGHNGXJHTBCURV-UHFFFAOYSA-N -2 0 388.243 2.555 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ncc(Cc3cc(F)cc(F)c3)s2)c[nH]1 ZINC000833306104 600977363 /nfs/dbraw/zinc/97/73/63/600977363.db2.gz DRDIAKCAEFLGGA-UHFFFAOYSA-N -2 0 399.400 2.839 20 0 GFADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ncc(C(C)C)s1 ZINC000831375545 600984383 /nfs/dbraw/zinc/98/43/83/600984383.db2.gz ZYBAQOKNVVYOPL-UHFFFAOYSA-N -2 0 384.435 2.552 20 0 GFADRL O=C([O-])C[C@H]1CN(S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)c2ccccc21 ZINC000739654893 601049190 /nfs/dbraw/zinc/04/91/90/601049190.db2.gz ZGQCACVEHKRCMS-NSHDSACASA-N -2 0 395.820 2.805 20 0 GFADRL CCOc1cc([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2OC)ccc1OC ZINC000830049632 601202693 /nfs/dbraw/zinc/20/26/93/601202693.db2.gz LABZEMCDOJFVNS-UHFFFAOYSA-N -2 0 387.435 2.663 20 0 GFADRL CCCc1ccc([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2OC)c(C(=O)[O-])c1 ZINC000829566413 601202818 /nfs/dbraw/zinc/20/28/18/601202818.db2.gz LPJDPVHNFBUJKW-UHFFFAOYSA-N -3 0 399.446 2.906 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(O[C@H]3CCCC[C@H]3O)cc2)s1 ZINC000833323573 601204301 /nfs/dbraw/zinc/20/43/01/601204301.db2.gz OIIZPEVFVFLXOE-KGLIPLIRSA-N -2 0 397.474 2.929 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCCC[C@@H]3O)cc2)cc1C(=O)[O-] ZINC000833029155 601233918 /nfs/dbraw/zinc/23/39/18/601233918.db2.gz DANQNWWHWFYKSP-JKSUJKDBSA-N -2 0 395.433 2.769 20 0 GFADRL O=C([O-])c1cc(-c2csc(NC(=O)CSc3n[n-]c(=S)s3)n2)c[nH]1 ZINC000833116134 601284146 /nfs/dbraw/zinc/28/41/46/601284146.db2.gz MABOJOQZFSYVHJ-UHFFFAOYSA-N -2 0 399.504 2.707 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)c1C ZINC000521961992 601330761 /nfs/dbraw/zinc/33/07/61/601330761.db2.gz FUNVRHGNCOSXKC-UHFFFAOYSA-N -2 0 388.401 2.982 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)c(F)cc1F ZINC000743266100 601334643 /nfs/dbraw/zinc/33/46/43/601334643.db2.gz FQZARIONDQEOBS-UHFFFAOYSA-N -2 0 385.344 2.559 20 0 GFADRL Cc1sc(NC(=O)COC(=O)c2cc(F)c([O-])c(F)c2)c(C(=O)[O-])c1C ZINC000833035749 601446796 /nfs/dbraw/zinc/44/67/96/601446796.db2.gz AMVPRWXEXUNMBC-UHFFFAOYSA-N -2 0 385.344 2.842 20 0 GFADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ccc(Br)c(F)c1 ZINC000833345197 601485534 /nfs/dbraw/zinc/48/55/34/601485534.db2.gz NFSMOVJABBRAMA-UHFFFAOYSA-N -2 0 381.204 2.544 20 0 GFADRL Cc1cc(C(=O)[N-]S(=O)(=O)[C@@H](C)c2ccccc2)cc(C)c1OCC(=O)[O-] ZINC000832864951 601500823 /nfs/dbraw/zinc/50/08/23/601500823.db2.gz YDRDKDOIHKSPSN-AWEZNQCLSA-N -2 0 391.445 2.588 20 0 GFADRL O=C([O-])c1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1nnc(C2CC2)s1 ZINC000833311771 601502765 /nfs/dbraw/zinc/50/27/65/601502765.db2.gz COULRLBKTXBFQQ-UHFFFAOYSA-N -2 0 393.368 2.933 20 0 GFADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000477420663 601575706 /nfs/dbraw/zinc/57/57/06/601575706.db2.gz GFKPFBOTZBBAHY-UHFFFAOYSA-N -3 0 393.417 2.981 20 0 GFADRL Cc1nc(CC(C)C)c(C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])s1 ZINC000832998838 601597818 /nfs/dbraw/zinc/59/78/18/601597818.db2.gz ODSUXRAZTMDHNK-UHFFFAOYSA-N -2 0 388.492 2.528 20 0 GFADRL C[C@@H](CS(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1Oc1ccccc1)C(=O)[O-] ZINC000827571482 601615666 /nfs/dbraw/zinc/61/56/66/601615666.db2.gz KLRPGLJKMHZNMT-NSHDSACASA-N -3 0 379.390 2.640 20 0 GFADRL COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)[N-]c2cc(Cl)ccn2)c1OC ZINC000831971942 601769523 /nfs/dbraw/zinc/76/95/23/601769523.db2.gz ALJMBOLUCDERGV-ONEGZZNKSA-N -2 0 398.824 2.651 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2c(-c3cccnc3)nc3ccccn32)cc1C(=O)[O-] ZINC000833027799 601769994 /nfs/dbraw/zinc/76/99/94/601769994.db2.gz XJONWSASPCLXLT-UHFFFAOYSA-N -2 0 398.400 2.797 20 0 GFADRL Cn1cc(S(=O)(=O)[N-]c2c(-c3ccccc3)nc3ccccn32)cc1C(=O)[O-] ZINC000833054388 601770578 /nfs/dbraw/zinc/77/05/78/601770578.db2.gz XNOYMSCVESQBAD-UHFFFAOYSA-N -2 0 396.428 2.839 20 0 GFADRL O=C([O-])CCCc1csc([N-]S(=O)(=O)c2cccc3cnccc32)n1 ZINC000327147461 601771118 /nfs/dbraw/zinc/77/11/18/601771118.db2.gz NMQWYYURFLOYQJ-UHFFFAOYSA-N -2 0 377.447 2.899 20 0 GFADRL Cc1ccc(-n2[n-]c(C(=O)Nc3nc(CCCC(=O)[O-])cs3)cc2=O)cc1 ZINC000832909521 601783022 /nfs/dbraw/zinc/78/30/22/601783022.db2.gz GKYSBQCLEZSMCD-UHFFFAOYSA-N -2 0 386.433 2.590 20 0 GFADRL CC(=O)N(C)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000735646602 601830071 /nfs/dbraw/zinc/83/00/71/601830071.db2.gz FVPNLPSWSXLALK-UHFFFAOYSA-N -2 0 382.825 2.822 20 0 GFADRL CCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000751142818 601832194 /nfs/dbraw/zinc/83/21/94/601832194.db2.gz RXQNQKJTLIJJFN-UHFFFAOYSA-N -2 0 398.387 2.604 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ccsc2C(=O)[O-])c(Cl)cc1F ZINC000831353986 601832393 /nfs/dbraw/zinc/83/23/93/601832393.db2.gz REFDPWWMOFAHAY-UHFFFAOYSA-N -2 0 393.801 2.826 20 0 GFADRL O=C([O-])c1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc(-c2cnco2)cc1 ZINC000833345554 601836165 /nfs/dbraw/zinc/83/61/65/601836165.db2.gz YRKVEWLDFXYYDW-UHFFFAOYSA-N -2 0 379.781 2.889 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2ccccc2O[C@@H]2CCOC2)cc1C(=O)[O-] ZINC000268309986 601853818 /nfs/dbraw/zinc/85/38/18/601853818.db2.gz JMPZYAIDTJPWSS-CYBMUJFWSA-N -2 0 377.418 2.662 20 0 GFADRL CCC[C@H](C)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C(=O)OC)c2)n[nH]1 ZINC000829216253 601861765 /nfs/dbraw/zinc/86/17/65/601861765.db2.gz LQOBJLPOLFGYPK-JTQLQIEISA-N -2 0 395.437 2.599 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1c(C)ccc(Cl)c1C(=O)[O-] ZINC000475737656 601881300 /nfs/dbraw/zinc/88/13/00/601881300.db2.gz FSJLITOZCQWHSU-UHFFFAOYSA-N -3 0 399.808 2.854 20 0 GFADRL O=C([O-])Nc1cc(C(=O)[N-]S(=O)(=O)c2ccccc2)cc(C(F)(F)F)c1 ZINC000833282993 602030965 /nfs/dbraw/zinc/03/09/65/602030965.db2.gz CQRWEXVHDABQQZ-UHFFFAOYSA-N -2 0 388.323 2.914 20 0 GFADRL Cc1cc(S(=O)(=O)Nc2ccc(CCC(=O)[O-])cc2)cc(C(=O)[O-])c1C ZINC000832904741 602113160 /nfs/dbraw/zinc/11/31/60/602113160.db2.gz ZWEQAOPGTRJECN-UHFFFAOYSA-N -2 0 377.418 2.820 20 0 GFADRL O=C([O-])c1nscc1[N-]S(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000833306153 602201852 /nfs/dbraw/zinc/20/18/52/602201852.db2.gz HVPDWWJGTIGMRY-UHFFFAOYSA-N -3 0 397.217 2.647 20 0 GFADRL CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(OCC(=O)[O-])cc2)c1 ZINC000825951784 602316123 /nfs/dbraw/zinc/31/61/23/602316123.db2.gz OOFSSLGQPXZRJB-UHFFFAOYSA-N -2 0 383.809 2.807 20 0 GFADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(=O)[O-])c1 ZINC000740715178 602646699 /nfs/dbraw/zinc/64/66/99/602646699.db2.gz ATUHZRWSIXYLIO-UHFFFAOYSA-N -3 0 382.419 2.678 20 0 GFADRL C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000739057432 602778813 /nfs/dbraw/zinc/77/88/13/602778813.db2.gz IFAIRRUOCKEARN-RHSMWYFYSA-N -2 0 390.461 2.983 20 0 GFADRL O=C([O-])NC[C@H]1CCCN(C(=O)c2cc(Br)cc(Cl)c2[O-])C1 ZINC000740623629 603148649 /nfs/dbraw/zinc/14/86/49/603148649.db2.gz HWKJNHYFCKULOX-MRVPVSSYSA-N -2 0 391.649 2.928 20 0 GFADRL O=C([O-])N[C@H](C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1)c1cccc(Cl)c1 ZINC000740530948 603299994 /nfs/dbraw/zinc/29/99/94/603299994.db2.gz ASLYUDJIQMGVJD-ZDUSSCGKSA-N -2 0 388.767 2.631 20 0 GFADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc([C@@H](C)NC(=O)[O-])cc2)s1 ZINC000828788560 603402939 /nfs/dbraw/zinc/40/29/39/603402939.db2.gz HWCRQCXCYNXPGC-SECBINFHSA-N -2 0 384.435 2.664 20 0 GFADRL C[C@@H]1CN(C(=O)c2cc(Br)cc(Cl)c2[O-])CCN1C(=O)[O-] ZINC000826035106 603545449 /nfs/dbraw/zinc/54/54/49/603545449.db2.gz OXVGVPMCIKIRKM-SSDOTTSWSA-N -2 0 377.622 2.632 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2cc3c(cc2NC(=O)[O-])OCO3)cnc1Cl ZINC000830138480 603888316 /nfs/dbraw/zinc/88/83/16/603888316.db2.gz VPPOQBANAYVHFX-UHFFFAOYSA-N -2 0 385.785 2.663 20 0 GFADRL Cc1c(C(F)(F)F)cccc1S(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])s1 ZINC000832853378 604397171 /nfs/dbraw/zinc/39/71/71/604397171.db2.gz HYDMIHGYYCKHSA-UHFFFAOYSA-N -2 0 393.364 2.892 20 0 GFADRL O=C([O-])C[C@@H]1CCCN1c1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)cn1 ZINC000833211081 604470746 /nfs/dbraw/zinc/47/07/46/604470746.db2.gz ASMKHLUAHYONQU-AWEZNQCLSA-N -2 0 397.403 2.604 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])c2cccnc12 ZINC000832413216 604621526 /nfs/dbraw/zinc/62/15/26/604621526.db2.gz KKCWCCHBEUBYDV-UHFFFAOYSA-N -2 0 376.390 2.952 20 0 GFADRL Cc1cc(Br)cnc1[N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000832858096 604621541 /nfs/dbraw/zinc/62/15/41/604621541.db2.gz AMPXFBIUBUVJSG-UHFFFAOYSA-N -2 0 389.202 2.791 20 0 GFADRL O=C([O-])c1csc([N-]S(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)c1 ZINC000833343455 604633863 /nfs/dbraw/zinc/63/38/63/604633863.db2.gz FZLDFDQDMOBJNI-UHFFFAOYSA-N -3 0 379.774 2.738 20 0 GFADRL Cc1[nH]c(C([O-])=CS(=O)(=O)Cc2cc3ccccc3o2)c(C)c1C(=O)[O-] ZINC000832842646 604655463 /nfs/dbraw/zinc/65/54/63/604655463.db2.gz AKWMDCXQHZLLGC-UHFFFAOYSA-N -2 0 375.402 2.874 20 0 GFADRL CC1=C(C(=O)[O-])[C@@H](c2cc(F)c(F)cc2F)NC(=O)N1CCCCC(=O)[O-] ZINC000828134459 604667847 /nfs/dbraw/zinc/66/78/47/604667847.db2.gz HBAZDHGDWCRPFE-OAHLLOKOSA-N -2 0 386.326 2.784 20 0 GFADRL CC(C)(C(=O)[O-])c1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000489763499 604769146 /nfs/dbraw/zinc/76/91/46/604769146.db2.gz ILJAPWQLWUMNPK-UHFFFAOYSA-N -2 0 381.381 2.687 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(OC)c2C)c(OC)c1C(=O)[O-] ZINC000833734512 604862052 /nfs/dbraw/zinc/86/20/52/604862052.db2.gz JMCGHCBSHKQGBG-UHFFFAOYSA-N -2 0 395.433 2.828 20 0 GFADRL CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2ccc3c(=O)[nH]c(=S)[n-]c3c2)C1 ZINC000833419045 605002471 /nfs/dbraw/zinc/00/24/71/605002471.db2.gz XFMXFHQGLVJBDQ-LLVKDONJSA-N -2 0 375.450 2.587 20 0 GFADRL CC(C)C[C@H](C)OCCC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000833475964 605118784 /nfs/dbraw/zinc/11/87/84/605118784.db2.gz VRXPDYYEALGSCT-NSHDSACASA-N -2 0 391.873 2.684 20 0 GFADRL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)c1ccc(C)c(OCC(=O)[O-])c1C ZINC000833751318 605128372 /nfs/dbraw/zinc/12/83/72/605128372.db2.gz UAQQXSUATXRPGR-UHFFFAOYSA-N -3 0 399.446 2.636 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])nn1-c1cccc(F)c1 ZINC000833746881 605128427 /nfs/dbraw/zinc/12/84/27/605128427.db2.gz KTTCNBQQEPMVPN-UHFFFAOYSA-N -2 0 381.410 2.880 20 0 GFADRL CC(C)NC(=O)Nc1ccccc1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000485273180 605161002 /nfs/dbraw/zinc/16/10/02/605161002.db2.gz JWUUWBYFHFPOPA-UHFFFAOYSA-N -2 0 395.412 2.855 20 0 GFADRL C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])co3)cc2F)C[C@H](C)O1 ZINC000833635474 605185446 /nfs/dbraw/zinc/18/54/46/605185446.db2.gz UFPQFOOCHLYKIO-PHIMTYICSA-N -2 0 398.412 2.531 20 0 GFADRL Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])c(F)c2)cc1C(=O)[O-] ZINC000833744834 605265601 /nfs/dbraw/zinc/26/56/01/605265601.db2.gz RIAZAGPUVHUXTO-UHFFFAOYSA-N -3 0 386.332 2.862 20 0 GFADRL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000833741221 605290392 /nfs/dbraw/zinc/29/03/92/605290392.db2.gz CLBBTFFQSBJNKT-UHFFFAOYSA-N -2 0 396.368 2.892 20 0 GFADRL CC(C)N1CCc2nc([N-]S(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)sc2C1 ZINC000833502698 605343192 /nfs/dbraw/zinc/34/31/92/605343192.db2.gz UHAUBDPRYLTIHM-UHFFFAOYSA-N -2 0 399.469 2.548 20 0 GFADRL COc1cc(O)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c1 ZINC000779847398 605594793 /nfs/dbraw/zinc/59/47/93/605594793.db2.gz ZQQUPMGLTRQUFF-UHFFFAOYSA-N -2 0 375.761 2.692 20 0 GFADRL O=C([O-])NCCCCC(=O)[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000834233696 605912232 /nfs/dbraw/zinc/91/22/32/605912232.db2.gz BLTNAGJMPOUGDR-UHFFFAOYSA-N -2 0 376.434 2.596 20 0 GFADRL O=C([O-])N1CCc2c1cccc2[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000834117830 605944239 /nfs/dbraw/zinc/94/42/39/605944239.db2.gz HZZITVCGVOVHJL-UHFFFAOYSA-N -2 0 387.339 2.942 20 0 GFADRL O=C([O-])N1CCc2cc([N-]S(=O)(=O)c3ccc(C(F)(F)F)nc3)ccc21 ZINC000834121643 605944259 /nfs/dbraw/zinc/94/42/59/605944259.db2.gz BHELNJGDXZTUJE-UHFFFAOYSA-N -2 0 387.339 2.942 20 0 GFADRL COC(=O)c1ccc(S(=O)(=O)Nc2cc(NC(=O)[O-])ccc2C)cc1C ZINC000833880798 605991844 /nfs/dbraw/zinc/99/18/44/605991844.db2.gz NKSBXNMJEMDJPG-UHFFFAOYSA-N -2 0 378.406 2.981 20 0 GFADRL COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(Cl)c(C(=O)[O-])c1 ZINC000047318145 654693002 /nfs/dbraw/zinc/69/30/02/654693002.db2.gz OQCRSVDUPLGZEV-UHFFFAOYSA-N -2 0 386.769 2.756 20 0 GFADRL COC(=O)Nc1cc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)ccc1F ZINC000066587829 654908356 /nfs/dbraw/zinc/90/83/56/654908356.db2.gz QRHBRUMQYOZHJB-UHFFFAOYSA-N -2 0 388.398 2.873 20 0 GFADRL COc1ncccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000066813803 654916531 /nfs/dbraw/zinc/91/65/31/654916531.db2.gz OEDBEIWIUSLKIG-UHFFFAOYSA-N -2 0 377.205 2.896 20 0 GFADRL O=C([O-])c1cc(C(=O)[O-])cc(S(=O)(=O)Nc2c(F)cc(Cl)cc2F)c1 ZINC000577663965 655463992 /nfs/dbraw/zinc/46/39/92/655463992.db2.gz XMXQODHNAOONDX-UHFFFAOYSA-N -2 0 391.735 2.815 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2c(F)cccc2-n2cccn2)sc1C(=O)[O-] ZINC000730206448 655572262 /nfs/dbraw/zinc/57/22/62/655572262.db2.gz WSFRPDJRUBZTNJ-UHFFFAOYSA-N -2 0 381.410 2.880 20 0 GFADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000742234018 655712636 /nfs/dbraw/zinc/71/26/36/655712636.db2.gz ULYNXRCGBVMHIW-UHFFFAOYSA-N -2 0 377.205 2.896 20 0 GFADRL O=C([O-])c1c(F)cc([N-]S(=O)(=O)c2c(Cl)nc3ccccn32)cc1F ZINC000743261414 655727516 /nfs/dbraw/zinc/72/75/16/655727516.db2.gz GFRASTFEZVUMMT-UHFFFAOYSA-N -2 0 387.751 2.765 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc3oc(=O)[nH]c3c2)c1Cl ZINC000753773693 655858370 /nfs/dbraw/zinc/85/83/70/655858370.db2.gz ZJOQXGWGLFKHQC-UHFFFAOYSA-N -2 0 382.781 2.994 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)CCC(=O)[O-])cc2)cnc1Cl ZINC000759681358 655961175 /nfs/dbraw/zinc/96/11/75/655961175.db2.gz WQCKBXIYEYZWEB-UHFFFAOYSA-N -2 0 382.825 2.892 20 0 GFADRL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-]c2ccc(F)cc2O)s1 ZINC000769632708 656283235 /nfs/dbraw/zinc/28/32/35/656283235.db2.gz BFDGVFBGUDHDCY-UHFFFAOYSA-N -2 0 396.215 2.854 20 0 GFADRL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-]c2ccc(F)nc2)s1 ZINC000769633917 656283510 /nfs/dbraw/zinc/28/35/10/656283510.db2.gz MKYWQZMSFSNQMX-UHFFFAOYSA-N -2 0 381.204 2.544 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2O)cc(F)c1F ZINC000769891710 656297381 /nfs/dbraw/zinc/29/73/81/656297381.db2.gz YWFXWQIAPGWXSW-UHFFFAOYSA-N -2 0 381.715 2.962 20 0 GFADRL COC(=O)c1scc(C)c1[N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000780406847 657004417 /nfs/dbraw/zinc/00/44/17/657004417.db2.gz ZHFHKJCLBCYLSB-UHFFFAOYSA-N -2 0 391.373 2.620 20 0 GFADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1c(C)onc1OC(F)F ZINC000788131008 657655709 /nfs/dbraw/zinc/65/57/09/657655709.db2.gz LPKHNPWMYHBKMC-UHFFFAOYSA-N -2 0 376.337 2.646 20 0 GFADRL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(Cl)c1C(=O)[O-] ZINC000793394910 658393073 /nfs/dbraw/zinc/39/30/73/658393073.db2.gz PRXBDWPZHWBHLB-UHFFFAOYSA-N -2 0 387.772 2.985 20 0 GFADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)C2CCC(C(F)(F)F)CC2)cc1 ZINC000863962543 662351600 /nfs/dbraw/zinc/35/16/00/662351600.db2.gz OFLAOTDYLBWGOB-UHFFFAOYSA-N -2 0 379.356 2.566 20 0 GFADRL O=C([O-])[C@@H](CC(F)F)[N-]S(=O)(=O)c1oc2ccccc2c1Br ZINC000864430978 662370405 /nfs/dbraw/zinc/37/04/05/662370405.db2.gz GXIXMYCJIRYYOJ-SSDOTTSWSA-N -2 0 398.181 2.582 20 0 GFADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)/C=C/c2ccsc2C(F)(F)F)C1 ZINC000910184036 664198300 /nfs/dbraw/zinc/19/83/00/664198300.db2.gz PLSKVCNIRFWYPR-WMSLEYKJSA-N -2 0 377.340 2.557 20 0 GFADRL COCCOc1ccc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c(C)c1 ZINC000055643400 551173931 /nfs/dbraw/zinc/17/39/31/551173931.db2.gz UQWLPBYTUBGVRZ-UHFFFAOYSA-N -2 0 385.463 2.889 20 0 GFADRL Cc1ccc(Br)cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1O ZINC000148720294 551398539 /nfs/dbraw/zinc/39/85/39/551398539.db2.gz FWRARRGEZCLLHV-UHFFFAOYSA-N -2 0 386.223 2.962 20 0 GFADRL CCC(CC)(CNS(=O)(=O)c1ccc(F)cc1Br)C(=O)[O-] ZINC000165038341 551628500 /nfs/dbraw/zinc/62/85/00/551628500.db2.gz PNAXJPNHGKNNLI-UHFFFAOYSA-N -2 0 382.251 2.758 20 0 GFADRL COc1ccccc1S(=O)(=O)[N-]c1ccc(Br)c(C(=O)[O-])c1 ZINC000316637201 563441662 /nfs/dbraw/zinc/44/16/62/563441662.db2.gz OBQRHCINARGWPR-UHFFFAOYSA-N -2 0 386.223 2.957 20 0 GFADRL O=C([O-])[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000320164859 563446470 /nfs/dbraw/zinc/44/64/70/563446470.db2.gz QNZKFCQXXZJMHA-RXMQYKEDSA-N -2 0 384.134 2.816 20 0 GFADRL Cn1ncc([N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)c1C(=O)[O-] ZINC000539191790 564212358 /nfs/dbraw/zinc/21/23/58/564212358.db2.gz STFUHTHNZZUNCR-UHFFFAOYSA-N -2 0 383.735 2.591 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2cc3c(cc2Cl)NC(=O)C3)cc(C(=O)[O-])c1 ZINC000507570293 564232676 /nfs/dbraw/zinc/23/26/76/564232676.db2.gz SNPMDKKZINFKBM-UHFFFAOYSA-N -2 0 380.809 2.642 20 0 GFADRL COc1c(Cl)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cc1Cl ZINC000509577386 564304625 /nfs/dbraw/zinc/30/46/25/564304625.db2.gz MLZDTGSANFGGSK-UHFFFAOYSA-N -2 0 379.221 2.840 20 0 GFADRL CC(C)(C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000511252929 564363859 /nfs/dbraw/zinc/36/38/59/564363859.db2.gz QRAIIXGFBBOPQI-UHFFFAOYSA-N -2 0 382.463 2.775 20 0 GFADRL Cc1cccc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)c1C(N)=O ZINC000479457007 564440662 /nfs/dbraw/zinc/44/06/62/564440662.db2.gz NOEOXIMAIVUTBI-UHFFFAOYSA-N -2 0 382.825 2.555 20 0 GFADRL O=C([O-])CC1(C[N-]S(=O)(=O)c2cc(F)c(Br)cc2F)CCC1 ZINC000569990168 564486782 /nfs/dbraw/zinc/48/67/82/564486782.db2.gz MGNCNIVVHVPUHC-UHFFFAOYSA-N -2 0 398.225 2.651 20 0 GFADRL N#Cc1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C(=O)[O-])ccc1Cl ZINC000547569418 564495970 /nfs/dbraw/zinc/49/59/70/564495970.db2.gz PKHSWCSUYHFFKU-UHFFFAOYSA-N -2 0 381.753 2.619 20 0 GFADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC(F)(F)F ZINC000547590409 564499383 /nfs/dbraw/zinc/49/93/83/564499383.db2.gz UNEUDQCJTDMYQC-RXMQYKEDSA-N -2 0 381.250 2.976 20 0 GFADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-]c1ccc(Br)cc1C(=O)[O-] ZINC000547869576 564514272 /nfs/dbraw/zinc/51/42/72/564514272.db2.gz MUXDYOPQZCYBAV-YFKPBYRVSA-N -2 0 376.150 2.840 20 0 GFADRL CC(=O)Nc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000481979606 564530862 /nfs/dbraw/zinc/53/08/62/564530862.db2.gz VFEBPHRMKNQKSU-UHFFFAOYSA-N -2 0 382.825 2.726 20 0 GFADRL O=C([O-])C[C@@H](CC[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)C(F)(F)F ZINC000571927227 564572726 /nfs/dbraw/zinc/57/27/26/564572726.db2.gz SOQFLKLBVHADOD-ZCFIWIBFSA-N -2 0 395.733 2.940 20 0 GFADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2ccc(SC)cc2)c1OC ZINC000484956369 564602904 /nfs/dbraw/zinc/60/29/04/564602904.db2.gz WRAWGASCDLZALV-UHFFFAOYSA-N -2 0 383.447 2.925 20 0 GFADRL C[C@H]1CCN(C(=O)N=c2nc(-c3ccccc3Cl)[n-]s2)C[C@@H]1C(=O)[O-] ZINC000575749462 564703070 /nfs/dbraw/zinc/70/30/70/564703070.db2.gz SQWWBHMVFKJWRN-ONGXEEELSA-N -2 0 380.857 2.855 20 0 GFADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000489752269 564751803 /nfs/dbraw/zinc/75/18/03/564751803.db2.gz JRSBWIMBUXNVQX-UHFFFAOYSA-N -3 0 385.781 2.546 20 0 GFADRL COc1cc(OC)c(OC)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000531950438 564925298 /nfs/dbraw/zinc/92/52/98/564925298.db2.gz PBACSJOLPYVSNP-UHFFFAOYSA-N -2 0 387.435 2.581 20 0 GFADRL COc1cc(OC)c([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc1F ZINC000562492246 565031531 /nfs/dbraw/zinc/03/15/31/565031531.db2.gz LDHCHQUFQRJOPB-UHFFFAOYSA-N -2 0 375.399 2.712 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(O)cc(F)c2)c(Br)c1 ZINC000504306005 565038000 /nfs/dbraw/zinc/03/80/00/565038000.db2.gz ZBZFKPJEDXTWJG-UHFFFAOYSA-N -2 0 390.186 2.793 20 0 GFADRL CC(=O)Nc1nc(C)c(S(=O)(=O)[N-]c2c(C)cc(C)cc2C(=O)[O-])s1 ZINC000589436305 565163560 /nfs/dbraw/zinc/16/35/60/565163560.db2.gz AIFMXWAMHDZYMV-UHFFFAOYSA-N -2 0 383.451 2.526 20 0 GFADRL C[C@H](NC(=O)N=c1nc(-c2ccsc2)[n-]s1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653542116 565971694 /nfs/dbraw/zinc/97/16/94/565971694.db2.gz GUVWDSBCFYWWRK-INTQDDNPSA-N -2 0 380.495 2.945 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2SC)c(C)o1 ZINC000611103232 566115381 /nfs/dbraw/zinc/11/53/81/566115381.db2.gz OFGFRYIIABOGRD-UHFFFAOYSA-N -2 0 385.419 2.596 20 0 GFADRL Cc1c(Cl)cc(S(=O)(=O)[N-]c2cnn(C)c2C(F)F)cc1C(=O)[O-] ZINC000684558328 566238856 /nfs/dbraw/zinc/23/88/56/566238856.db2.gz HNIDRANASLNBBD-UHFFFAOYSA-N -2 0 379.772 2.819 20 0 GFADRL CC1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)cc2)CC1 ZINC000736791573 599738554 /nfs/dbraw/zinc/73/85/54/599738554.db2.gz PDBVADQQJTXAMK-UHFFFAOYSA-N -2 0 392.433 2.651 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccnn2[C@@H]2CCCc3ccccc32)o1 ZINC000740186979 599740363 /nfs/dbraw/zinc/74/03/63/599740363.db2.gz ASNUQBSTUKOEPH-CQSZACIVSA-N -2 0 387.417 2.901 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)Cc2c[nH]c3cc(Cl)ccc23)s1 ZINC000739338654 599793693 /nfs/dbraw/zinc/79/36/93/599793693.db2.gz LZHXXSMWGGHUFG-UHFFFAOYSA-N -2 0 398.849 2.629 20 0 GFADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)CCCC(=O)N3)c1C(=O)[O-] ZINC000738969698 599926960 /nfs/dbraw/zinc/92/69/60/599926960.db2.gz OZQJAJBBCMGCBZ-UHFFFAOYSA-N -2 0 378.406 2.670 20 0 GFADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cccnc1N1CCCCC1 ZINC000738277406 599966819 /nfs/dbraw/zinc/96/68/19/599966819.db2.gz WTOYCLNSLPIOBJ-UHFFFAOYSA-N -2 0 375.450 2.879 20 0 GFADRL CC[C@H](C)N1C(=O)N[C@H](c2ccc(OCCC(=O)[O-])cc2)C(C(=O)[O-])=C1C ZINC000736884999 599984755 /nfs/dbraw/zinc/98/47/55/599984755.db2.gz UGLLOEJFVGCDSJ-APPDUMDISA-N -2 0 376.409 2.764 20 0 GFADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccnn1Cc1ccccc1F ZINC000738546319 599998335 /nfs/dbraw/zinc/99/83/35/599998335.db2.gz STWJOPKQQQIRNJ-UHFFFAOYSA-N -2 0 389.408 2.878 20 0 GFADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(OC)ccc2C(=O)[O-])c(Cl)c1 ZINC000509608595 600005408 /nfs/dbraw/zinc/00/54/08/600005408.db2.gz CRJUZBNFHRQKRQ-UHFFFAOYSA-N -2 0 399.808 2.634 20 0 GFADRL O=C([O-])c1cc(C(F)(F)F)cc(S(=O)(=O)[N-]C(=O)/C=C/c2ccccc2)c1 ZINC000739217192 600045028 /nfs/dbraw/zinc/04/50/28/600045028.db2.gz WYQXAUIPJZYRJA-VOTSOKGWSA-N -2 0 399.346 2.922 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2nc(CN3CCCCC3)cs2)s1 ZINC000740188037 600054333 /nfs/dbraw/zinc/05/43/33/600054333.db2.gz ZLUXJXIOJAHCLY-UHFFFAOYSA-N -2 0 387.508 2.690 20 0 GFADRL O=C([O-])Cc1csc([N-]S(=O)(=O)c2ccc(OC3CCCC3)cc2)n1 ZINC000738633899 600054349 /nfs/dbraw/zinc/05/43/49/600054349.db2.gz WGERRBRYBZQPNX-UHFFFAOYSA-N -2 0 382.463 2.892 20 0 GFADRL COc1cc(CN(CC(=O)[O-])Cc2nc(=O)c3sccc3[n-]2)cc(OC)c1 ZINC000737882041 600089216 /nfs/dbraw/zinc/08/92/16/600089216.db2.gz UYXQKMZCQIYHJY-UHFFFAOYSA-N -2 0 389.433 2.501 20 0 GFADRL COC(=O)Nc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)ccc1F ZINC000737642598 600098670 /nfs/dbraw/zinc/09/86/70/600098670.db2.gz ZNAHEYZSELUENY-UHFFFAOYSA-N -2 0 386.332 2.642 20 0 GFADRL CCCc1ccc(S(=O)(=O)[N-]C(=O)CCc2ccc(C(=O)[O-])cc2)cc1 ZINC000737051572 600099114 /nfs/dbraw/zinc/09/91/14/600099114.db2.gz VVFJQOBKCQMKBL-UHFFFAOYSA-N -2 0 375.446 2.775 20 0 GFADRL Cc1cc(C(=O)[O-])c2sc([N-]S(=O)(=O)c3cc(F)cc(F)c3)nc2n1 ZINC000738346512 600102467 /nfs/dbraw/zinc/10/24/67/600102467.db2.gz VGTXNYVXMKNSIB-UHFFFAOYSA-N -2 0 385.373 2.777 20 0 GFADRL CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000737154605 600228739 /nfs/dbraw/zinc/22/87/39/600228739.db2.gz FFWSAFQOWAEOJE-UHFFFAOYSA-N -2 0 385.344 2.641 20 0 GFADRL C[C@@H](CC(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)c1cccc(F)c1 ZINC000736547531 600245499 /nfs/dbraw/zinc/24/54/99/600245499.db2.gz DMJMASCCUJMHBF-LBPRGKRZSA-N -2 0 379.409 2.664 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)c1C ZINC000738345598 600301405 /nfs/dbraw/zinc/30/14/05/600301405.db2.gz NYXLILMNZPUEBH-UHFFFAOYSA-N -2 0 392.433 2.912 20 0 GFADRL COC(=O)NCc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cc1 ZINC000737638813 600301988 /nfs/dbraw/zinc/30/19/88/600301988.db2.gz XJUXGHUONZOHKQ-UHFFFAOYSA-N -2 0 398.824 2.695 20 0 GFADRL C[C@H]1Cc2cc(S(=O)(=O)[N-]c3nc(CC(=O)[O-])cs3)cc(Cl)c2O1 ZINC000736825384 600360593 /nfs/dbraw/zinc/36/05/93/600360593.db2.gz KUEIAZQEWWLSTD-ZETCQYMHSA-N -2 0 388.854 2.548 20 0 GFADRL CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cc1C(=O)[O-] ZINC000068076171 600481958 /nfs/dbraw/zinc/48/19/58/600481958.db2.gz KEJUTIFNRLXOCD-UHFFFAOYSA-N -2 0 399.808 2.936 20 0 GFADRL CCCc1ccc(NS(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)c(C(=O)[O-])c1 ZINC000515633498 600543145 /nfs/dbraw/zinc/54/31/45/600543145.db2.gz PVHYQSYDQNDDGX-UHFFFAOYSA-N -2 0 393.417 2.845 20 0 GFADRL CCCC1=C(C(=O)[O-])[C@@H](c2cccc(OCC(=O)[O-])c2)NC(=O)N1CC1CC1 ZINC000736976251 600625144 /nfs/dbraw/zinc/62/51/44/600625144.db2.gz XRUQTKQEZPYMIS-GOSISDBHSA-N -2 0 388.420 2.765 20 0 GFADRL CC(C)[C@@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000736357945 600657929 /nfs/dbraw/zinc/65/79/29/600657929.db2.gz DRVNUVXAWUENKL-QGZVFWFLSA-N -2 0 375.446 2.705 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCCCC3)cc2)c[nH]1 ZINC000299557440 600676184 /nfs/dbraw/zinc/67/61/84/600676184.db2.gz FGMJMNUJVRFIDU-UHFFFAOYSA-N -2 0 391.449 2.530 20 0 GFADRL O=C([O-])C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c2ccccc21 ZINC000369791766 600684603 /nfs/dbraw/zinc/68/46/03/600684603.db2.gz SGUNIKNKTSHLML-JTQLQIEISA-N -2 0 395.820 2.805 20 0 GFADRL NC(=O)c1c(Cl)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000743265696 600686833 /nfs/dbraw/zinc/68/68/33/600686833.db2.gz UJHOCMKJSKBWMT-UHFFFAOYSA-N -2 0 389.216 2.591 20 0 GFADRL CCCCOc1ccc(OC)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000512592435 600811045 /nfs/dbraw/zinc/81/10/45/600811045.db2.gz ILNWOFYYIAXLAV-UHFFFAOYSA-N -2 0 382.438 2.712 20 0 GFADRL Cn1cc(S(=O)(=O)[N-]c2nc(COc3ccccc3)cs2)cc1C(=O)[O-] ZINC000833055710 600828510 /nfs/dbraw/zinc/82/85/10/600828510.db2.gz MOLBAFRJNFDUJX-UHFFFAOYSA-N -2 0 393.446 2.560 20 0 GFADRL Cc1c[nH]c(=O)n1-c1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000506601654 600891614 /nfs/dbraw/zinc/89/16/14/600891614.db2.gz LWFFYKRXNCSVDB-UHFFFAOYSA-N -2 0 387.417 2.694 20 0 GFADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CC3)c1 ZINC000740306251 600898568 /nfs/dbraw/zinc/89/85/68/600898568.db2.gz UXDQCYVCWSQOEQ-UHFFFAOYSA-N -2 0 380.809 2.724 20 0 GFADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)[C@H]2CCSc3ccccc32)cc1 ZINC000833315580 600944437 /nfs/dbraw/zinc/94/44/37/600944437.db2.gz URUYOVJHDOMWPZ-HNNXBMFYSA-N -2 0 391.470 2.610 20 0 GFADRL Cc1ccc(-n2[n-]c(C(=O)N3C[C@H](CC(=O)[O-])c4ccccc43)cc2=O)cc1 ZINC000832910225 600968133 /nfs/dbraw/zinc/96/81/33/600968133.db2.gz UYVLTNMYRHQDRM-AWEZNQCLSA-N -2 0 377.400 2.693 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2ccnn2Cc2ccccc2F)ccc1C(=O)[O-] ZINC000832904283 600978986 /nfs/dbraw/zinc/97/89/86/600978986.db2.gz DSRYPPIBJBLOBK-UHFFFAOYSA-N -2 0 389.408 2.878 20 0 GFADRL Cc1ccc(-n2[n-]c(C(=O)N3C[C@H](C4CCCCC4)C[C@H]3C(=O)[O-])cc2=O)cc1 ZINC000832909739 600979368 /nfs/dbraw/zinc/97/93/68/600979368.db2.gz ITNFKBQEWZDHDQ-APWZRJJASA-N -2 0 397.475 2.970 20 0 GFADRL C[C@@H]1CN(c2ccccc2[N-]S(=O)(=O)c2csc(C(=O)[O-])c2)C[C@@H](C)O1 ZINC000828499810 600980533 /nfs/dbraw/zinc/98/05/33/600980533.db2.gz ISGWRUWVUGWJGG-VXGBXAGGSA-N -2 0 396.490 2.861 20 0 GFADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccnn2-c2ccc(Cl)cc2)cc1 ZINC000833267619 600988897 /nfs/dbraw/zinc/98/88/97/600988897.db2.gz RTKJXBHEYSHYET-UHFFFAOYSA-N -2 0 391.836 2.954 20 0 GFADRL Cc1cc(C)c([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)c(C(=O)[O-])c1 ZINC000738357213 601120258 /nfs/dbraw/zinc/12/02/58/601120258.db2.gz BONKGEALBRISCM-UHFFFAOYSA-N -3 0 385.344 2.779 20 0 GFADRL CC[C@H](C)Oc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC000828765169 601142013 /nfs/dbraw/zinc/14/20/13/601142013.db2.gz YPBZORUOADKRMJ-JTQLQIEISA-N -2 0 383.447 2.742 20 0 GFADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(O[C@H]3CCCC[C@@H]3O)cc2)c1 ZINC000521313167 601203410 /nfs/dbraw/zinc/20/34/10/601203410.db2.gz NRJSYVVVRPUIJR-GJZGRUSLSA-N -2 0 397.474 2.929 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1nn(-c2ccccc2)cc1C ZINC000831950033 601204403 /nfs/dbraw/zinc/20/44/03/601204403.db2.gz LSZZSOSZZFZMIU-UHFFFAOYSA-N -2 0 393.446 2.750 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2ccc(-n3cnc4ccccc43)nc2)cc1C(=O)[O-] ZINC000833030152 601229634 /nfs/dbraw/zinc/22/96/34/601229634.db2.gz SDDHYIDLPDGCIT-UHFFFAOYSA-N -2 0 398.400 2.821 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2cc(NC(=O)C(C)C)ccc2C)cc1C(=O)[O-] ZINC000832943447 601231898 /nfs/dbraw/zinc/23/18/98/601231898.db2.gz ZKSZFRBZTCNTQG-UHFFFAOYSA-N -2 0 380.422 2.990 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2ccc(F)cc2Br)cc1C(=O)[O-] ZINC000833030002 601232392 /nfs/dbraw/zinc/23/23/92/601232392.db2.gz PULBUJOBRDTASO-UHFFFAOYSA-N -2 0 378.175 2.989 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccoc3)c2)cc1C(=O)[O-] ZINC000833029412 601233263 /nfs/dbraw/zinc/23/32/63/601233263.db2.gz ILXONPFUTLTBNF-UHFFFAOYSA-N -2 0 390.373 2.932 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2ccc(OCC3CCOCC3)cc2)cc1C(=O)[O-] ZINC000833030471 601234246 /nfs/dbraw/zinc/23/42/46/601234246.db2.gz YDHHFSIJKLTLLQ-UHFFFAOYSA-N -2 0 395.433 2.892 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2cc(F)ccc2OC[C@H]2CCCO2)cc1C(=O)[O-] ZINC000833029389 601234301 /nfs/dbraw/zinc/23/43/01/601234301.db2.gz HZBDZLKOQQGTMW-GFCCVEGCSA-N -2 0 399.396 2.784 20 0 GFADRL O=C([O-])[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000833183215 601235845 /nfs/dbraw/zinc/23/58/45/601235845.db2.gz BMMRQHGLCSMHSI-IUCAKERBSA-N -2 0 380.249 2.689 20 0 GFADRL O=C([O-])c1ccc(NC(=O)CSc2n[n-]c(=S)s2)c(OC(F)F)c1 ZINC000833115977 601284871 /nfs/dbraw/zinc/28/48/71/601284871.db2.gz JNOLFJNOLDIFNJ-UHFFFAOYSA-N -2 0 393.418 2.857 20 0 GFADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)n1 ZINC000832889007 601287059 /nfs/dbraw/zinc/28/70/59/601287059.db2.gz AZSVTGJVQOVRET-AWEZNQCLSA-N -2 0 381.363 2.854 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)ccc1NC(C)=O ZINC000058495355 601326874 /nfs/dbraw/zinc/32/68/74/601326874.db2.gz SDMDYAYJAVAVNL-UHFFFAOYSA-N -2 0 398.824 2.806 20 0 GFADRL CCN1CCc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3OC)cc21 ZINC000829785576 601330359 /nfs/dbraw/zinc/33/03/59/601330359.db2.gz CCINLCYRIGEPSK-UHFFFAOYSA-N -2 0 376.434 2.577 20 0 GFADRL O=C([O-])/C=C\c1ccc(S(=O)(=O)N2CCCc3cc(C(=O)[O-])ccc32)cc1 ZINC000833197564 601331016 /nfs/dbraw/zinc/33/10/16/601331016.db2.gz RJLBIEVBCPOXBJ-YHYXMXQVSA-N -2 0 387.413 2.624 20 0 GFADRL Cc1nc2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(F)cc3F)ccc2n1C ZINC000833004340 601340369 /nfs/dbraw/zinc/34/03/69/601340369.db2.gz NWOTUHJKHGHTCI-UHFFFAOYSA-N -2 0 381.360 2.659 20 0 GFADRL Cn1nc(CC(C)(C)C)cc1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000833060563 601360472 /nfs/dbraw/zinc/36/04/72/601360472.db2.gz QUJSRAWKADDZRH-JXMROGBWSA-N -2 0 377.466 2.907 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccnc2N2CCCCC2)ccc1F ZINC000833306337 601360547 /nfs/dbraw/zinc/36/05/47/601360547.db2.gz RRWVJTQKCZARSP-UHFFFAOYSA-N -2 0 379.413 2.710 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2nc(-c3ccccc3)ns2)cc1C(=O)[O-] ZINC000832468413 601361500 /nfs/dbraw/zinc/36/15/00/601361500.db2.gz BJASZOBNWNEYJV-UHFFFAOYSA-N -2 0 391.430 2.713 20 0 GFADRL O=C([O-])c1cc(-c2csc([N-]S(=O)(=O)CCc3ccccc3)n2)c[nH]1 ZINC000833293565 601474553 /nfs/dbraw/zinc/47/45/53/601474553.db2.gz CDZGCWCQQYEMBU-UHFFFAOYSA-N -2 0 377.447 2.821 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC(C)C)cc1C(=O)[O-] ZINC000443385855 601574875 /nfs/dbraw/zinc/57/48/75/601574875.db2.gz MAWQJIRRSFFNHT-UHFFFAOYSA-N -3 0 393.417 2.979 20 0 GFADRL Cc1sc(C(=O)[O-])cc1COC(=O)c1cc(F)ccc1[N-]S(C)(=O)=O ZINC000833032961 601722351 /nfs/dbraw/zinc/72/23/51/601722351.db2.gz MKTMEVXYINNSKO-UHFFFAOYSA-N -2 0 387.410 2.622 20 0 GFADRL O=C([O-])c1cc(Br)cc(S(=O)(=O)[N-]c2cc(Cl)ccn2)c1 ZINC000833295027 601769566 /nfs/dbraw/zinc/76/95/66/601769566.db2.gz WKVCIOSMMMZQFY-UHFFFAOYSA-N -2 0 391.630 2.997 20 0 GFADRL COC(=O)c1cc([N-]S(=O)(=O)c2cnc3ccsc3c2)ccc1C(=O)[O-] ZINC000831327349 601783462 /nfs/dbraw/zinc/78/34/62/601783462.db2.gz IDFZRILSRJHRGG-UHFFFAOYSA-N -2 0 392.414 2.582 20 0 GFADRL COCCc1nc2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)ccc2o1 ZINC000831795691 601795101 /nfs/dbraw/zinc/79/51/01/601795101.db2.gz FXNHHUCVZDETDW-UHFFFAOYSA-N -2 0 382.419 2.577 20 0 GFADRL CCCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000576895704 601821715 /nfs/dbraw/zinc/82/17/15/601821715.db2.gz GWFYSSAMOAGCGO-UHFFFAOYSA-N -2 0 382.482 2.555 20 0 GFADRL CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000751142802 601830118 /nfs/dbraw/zinc/83/01/18/601830118.db2.gz QZTAYWPSXJCKNB-UHFFFAOYSA-N -2 0 385.344 2.641 20 0 GFADRL Cc1cc(Oc2ncccn2)ccc1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000832900932 601838931 /nfs/dbraw/zinc/83/89/31/601838931.db2.gz GRIJYMYUTDVQSD-UHFFFAOYSA-N -2 0 392.418 2.533 20 0 GFADRL O=C([O-])c1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc2c(c1)CCCC(=O)N2 ZINC000833356140 601841512 /nfs/dbraw/zinc/84/15/12/601841512.db2.gz ISRXRRPYNYENSD-UHFFFAOYSA-N -2 0 395.824 2.509 20 0 GFADRL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1cccnc1N1CCCCC1 ZINC000833295088 601848132 /nfs/dbraw/zinc/84/81/32/601848132.db2.gz ZAJBPWVTKISTRH-UHFFFAOYSA-N -2 0 379.413 2.710 20 0 GFADRL O=C([O-])N1CCc2nc([N-]S(=O)(=O)c3cccc4ncccc43)sc2C1 ZINC000740530041 601977020 /nfs/dbraw/zinc/97/70/20/601977020.db2.gz JXSHTIQXPBYHQJ-UHFFFAOYSA-N -2 0 390.446 2.528 20 0 GFADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)c2cncc(-c3ccccc3)c2)cc1 ZINC000833317386 601982246 /nfs/dbraw/zinc/98/22/46/601982246.db2.gz SONBKIPYQMIOOD-UHFFFAOYSA-N -2 0 396.424 2.707 20 0 GFADRL Cc1cc(S(=O)(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)cc(C(=O)[O-])c1F ZINC000763286442 601985654 /nfs/dbraw/zinc/98/56/54/601985654.db2.gz FTAXHNSMGRDRMP-UHFFFAOYSA-N -2 0 395.408 2.995 20 0 GFADRL CCn1c(=O)c2ccc(C(=O)Nc3cccc(CC(=O)[O-])c3)cc2[n-]c1=S ZINC000737916941 602076892 /nfs/dbraw/zinc/07/68/92/602076892.db2.gz YNGFFWVHGINTBC-UHFFFAOYSA-N -2 0 383.429 2.585 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2nnc(CCCC(=O)[O-])s2)ccc1OC(C)C ZINC000832904449 602105254 /nfs/dbraw/zinc/10/52/54/602105254.db2.gz OEOKGKGKAWYKMZ-UHFFFAOYSA-N -2 0 399.494 2.842 20 0 GFADRL Cc1cc(S(=O)(=O)N(CCC(=O)[O-])c2cccc(F)c2)cc(C(=O)[O-])c1C ZINC000832901237 602114556 /nfs/dbraw/zinc/11/45/56/602114556.db2.gz MIWRLOPDIKZXKX-UHFFFAOYSA-N -2 0 395.408 2.811 20 0 GFADRL COc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cs2)c(Cl)cc1C(=O)[O-] ZINC000832098096 602117912 /nfs/dbraw/zinc/11/79/12/602117912.db2.gz SVQFIPMKNNNGOS-UHFFFAOYSA-N -3 0 391.810 2.607 20 0 GFADRL CCCCN(C)C(=O)c1ccccc1S(=O)(=O)[N-]c1csnc1C(=O)[O-] ZINC000829381302 602154875 /nfs/dbraw/zinc/15/48/75/602154875.db2.gz NPZFOQJWPLVYSL-UHFFFAOYSA-N -2 0 397.478 2.514 20 0 GFADRL O=C([O-])Nc1ccccc1NC(=O)CCn1c(=O)c2ccccc2[n-]c1=S ZINC000740714640 602176647 /nfs/dbraw/zinc/17/66/47/602176647.db2.gz WDJXPDKDWCSGIV-UHFFFAOYSA-N -2 0 384.417 2.804 20 0 GFADRL Cc1c(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)[O-])c2)cnn1-c1ccccn1 ZINC000832855859 602199182 /nfs/dbraw/zinc/19/91/82/602199182.db2.gz GFNRYTUQLMTFEJ-UHFFFAOYSA-N -2 0 391.384 2.606 20 0 GFADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cc(CCc3ccccc3)[nH]n2)c1 ZINC000833318913 602308474 /nfs/dbraw/zinc/30/84/74/602308474.db2.gz YLHLPWSAMPEGBP-UHFFFAOYSA-N -2 0 389.408 2.833 20 0 GFADRL COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc2c(c1)CCCN2C(=O)[O-] ZINC000739793783 602646095 /nfs/dbraw/zinc/64/60/95/602646095.db2.gz SKPFCSAHXWDRAO-UHFFFAOYSA-N -2 0 396.446 2.766 20 0 GFADRL COc1cc(F)c(S(=O)(=O)[N-]c2cccc(CN(C)C(=O)[O-])c2)c(F)c1 ZINC000739867296 602655556 /nfs/dbraw/zinc/65/55/56/602655556.db2.gz RNLHSMJNLKPQLS-UHFFFAOYSA-N -2 0 386.376 2.884 20 0 GFADRL CC(C)(CCC(=O)[N-]S(=O)(=O)c1c(Cl)cccc1Cl)NC(=O)[O-] ZINC000738742054 602926084 /nfs/dbraw/zinc/92/60/84/602926084.db2.gz YDQWTJUVMJGANR-UHFFFAOYSA-N -2 0 383.253 2.625 20 0 GFADRL O=C([O-])NCc1cccc([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)c1 ZINC000740679537 602930853 /nfs/dbraw/zinc/93/08/53/602930853.db2.gz KFRMKBCFILCBLS-UHFFFAOYSA-N -2 0 376.221 2.957 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2c(C)nn(C(C)C)c2C)cc1NC(=O)[O-] ZINC000739924980 603420569 /nfs/dbraw/zinc/42/05/69/603420569.db2.gz GEGLVABUPNQEHS-UHFFFAOYSA-N -2 0 382.442 2.980 20 0 GFADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CC[C@@H](NC(=O)[O-])[C@H](C)C3)n2)cc1 ZINC000824463332 603659435 /nfs/dbraw/zinc/65/94/35/603659435.db2.gz HQQQSXQHYBJIIZ-CZUORRHYSA-N -2 0 386.452 2.820 20 0 GFADRL C[C@H]1CN(C(=O)c2cc(Cl)cc(Br)c2[O-])CC[C@H]1NC(=O)[O-] ZINC000826034578 603838991 /nfs/dbraw/zinc/83/89/91/603838991.db2.gz KSLJVOGGKFPATL-WRWORJQWSA-N -2 0 391.649 2.926 20 0 GFADRL CC(=O)c1cccc(S(=O)(=O)[N-]c2cc3c(cc2NC(=O)[O-])OCO3)c1 ZINC000823641646 603886932 /nfs/dbraw/zinc/88/69/32/603886932.db2.gz WTPXPHCPUVSHIL-UHFFFAOYSA-N -2 0 378.362 2.509 20 0 GFADRL Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]C(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000830245844 604208743 /nfs/dbraw/zinc/20/87/43/604208743.db2.gz UCWRFJJHDCFPIV-GXTWGEPZSA-N -2 0 382.482 2.534 20 0 GFADRL Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)[C@H]2CCC[C@H](NC(=O)[O-])C2)c1C ZINC000829986207 604212519 /nfs/dbraw/zinc/21/25/19/604212519.db2.gz LNRQSJASHXUUKS-GJZGRUSLSA-N -2 0 382.482 2.552 20 0 GFADRL COc1cc(NS(=O)(=O)c2cccc(C(=O)[O-])c2C)ccc1NC(=O)[O-] ZINC000829197115 604312864 /nfs/dbraw/zinc/31/28/64/604312864.db2.gz FABHXMANEWSAJI-UHFFFAOYSA-N -2 0 380.378 2.593 20 0 GFADRL CC(C)Cn1cnc(S(=O)(=O)[N-]c2cccc(SCCC(=O)[O-])c2)c1 ZINC000833493599 604538234 /nfs/dbraw/zinc/53/82/34/604538234.db2.gz HGNCHUNBHXTNRW-UHFFFAOYSA-N -2 0 383.495 2.907 20 0 GFADRL CC(C)[C@H](C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1 ZINC000833465007 604609300 /nfs/dbraw/zinc/60/93/00/604609300.db2.gz GFYOJTBAOBSYIB-KRWDZBQOSA-N -2 0 393.436 2.910 20 0 GFADRL O=C([O-])CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cc1 ZINC000507567422 604766392 /nfs/dbraw/zinc/76/63/92/604766392.db2.gz QGFQCZDOLUOJDG-UHFFFAOYSA-N -2 0 399.808 2.693 20 0 GFADRL CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1OC ZINC000833661023 604861179 /nfs/dbraw/zinc/86/11/79/604861179.db2.gz XWFRWZKVGBQHIZ-UHFFFAOYSA-N -2 0 399.396 2.741 20 0 GFADRL Cc1ccc(Br)c(S(=O)(=O)[N-]c2csnc2C(=O)[O-])c1 ZINC000833747529 605118018 /nfs/dbraw/zinc/11/80/18/605118018.db2.gz UBTXTQVDAHCROP-UHFFFAOYSA-N -2 0 377.241 2.713 20 0 GFADRL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000833741716 605127319 /nfs/dbraw/zinc/12/73/19/605127319.db2.gz VRPYZXQLGOIXDR-UHFFFAOYSA-N -2 0 380.447 2.785 20 0 GFADRL COc1ccc(S(=O)(=O)Nc2ccc([C@@H](C)CC(=O)[O-])cc2)cc1C(=O)[O-] ZINC000544096372 605332197 /nfs/dbraw/zinc/33/21/97/605332197.db2.gz GECYGBRECGAIEG-NSHDSACASA-N -2 0 393.417 2.772 20 0 GFADRL O=C([O-])N1CCc2ncc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2C1 ZINC000834121542 605878605 /nfs/dbraw/zinc/87/86/05/605878605.db2.gz SMRZCMYIQAWRPX-UHFFFAOYSA-N -2 0 385.804 2.711 20 0 GFADRL O=C([O-])N[C@@H]1CC[C@@H](C(=O)NC[C@H](Cc2cccc3ccccc32)C(=O)[O-])C1 ZINC000834170791 606062721 /nfs/dbraw/zinc/06/27/21/606062721.db2.gz QOVXFHNHRUDCCW-IXDOHACOSA-N -2 0 384.432 2.636 20 0 GFADRL O=C([O-])N[C@H](CCC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000834138788 606112753 /nfs/dbraw/zinc/11/27/53/606112753.db2.gz WYMRFFUOLULZIV-QZTJIDSGSA-N -2 0 382.416 2.986 20 0 GFADRL CCN(CC)C(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000013301157 654504351 /nfs/dbraw/zinc/50/43/51/654504351.db2.gz OHQNZMNHKLINKW-UHFFFAOYSA-N -2 0 382.463 2.729 20 0 GFADRL CCOc1cc2c(cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)O[C@@H](C)C2 ZINC000022244938 654532093 /nfs/dbraw/zinc/53/20/93/654532093.db2.gz OCRHRNRHTOWMKR-VIFPVBQESA-N -2 0 383.447 2.969 20 0 GFADRL COCCOCc1cccc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c1 ZINC000048382595 654705710 /nfs/dbraw/zinc/70/57/10/654705710.db2.gz BVTMYCAQMPNAEA-UHFFFAOYSA-N -2 0 385.463 2.719 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2ccc(Cn3cccn3)cc2)sc1C(=O)[O-] ZINC000048382553 654705792 /nfs/dbraw/zinc/70/57/92/654705792.db2.gz XVZVEYAZMCGTKI-UHFFFAOYSA-N -2 0 377.447 2.800 20 0 GFADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000055577533 654777949 /nfs/dbraw/zinc/77/79/49/654777949.db2.gz SMYNQZPDQAYWKW-UHFFFAOYSA-N -2 0 375.859 2.603 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)N(C)C)c2)sc1C(=O)[O-] ZINC000267494268 654931278 /nfs/dbraw/zinc/93/12/78/654931278.db2.gz GOYKUXGJZJLQOW-UHFFFAOYSA-N -2 0 382.463 2.566 20 0 GFADRL CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2cc(Cl)c([O-])c(Cl)c2)cn1C ZINC000184532637 655357803 /nfs/dbraw/zinc/35/78/03/655357803.db2.gz RTCCZAVPPLONMI-UHFFFAOYSA-N -2 0 392.264 2.540 20 0 GFADRL Nc1c(Cl)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)cc1Cl ZINC000748671140 655793766 /nfs/dbraw/zinc/79/37/66/655793766.db2.gz AOLIPZUMWPJFIJ-UHFFFAOYSA-N -2 0 377.205 2.780 20 0 GFADRL COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000756937356 655907273 /nfs/dbraw/zinc/90/72/73/655907273.db2.gz WSZFTKWCBRSQQU-UHFFFAOYSA-N -2 0 379.287 2.751 20 0 GFADRL CC(=O)c1ccc(O)c([N-]S(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)c1 ZINC000758171724 655925370 /nfs/dbraw/zinc/92/53/70/655925370.db2.gz XWBCVDZYZRXYTA-UHFFFAOYSA-N -2 0 387.772 2.886 20 0 GFADRL COC(=O)c1[nH]c(C)cc1[N-]S(=O)(=O)c1cc(C)c(Cl)c(C(=O)[O-])c1 ZINC000759096817 655947402 /nfs/dbraw/zinc/94/74/02/655947402.db2.gz LCBXQHREFNUXBG-UHFFFAOYSA-N -2 0 386.813 2.571 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2ccn(CC(F)F)n2)cc(C(=O)[O-])c1Cl ZINC000759102871 655947562 /nfs/dbraw/zinc/94/75/62/655947562.db2.gz PRVYKLFJQXQFCL-UHFFFAOYSA-N -2 0 379.772 2.609 20 0 GFADRL COc1cc(S(=O)(=O)[N-]c2ccc(CCCC(=O)[O-])cc2)cnc1Cl ZINC000767474788 656205622 /nfs/dbraw/zinc/20/56/22/656205622.db2.gz HEJBMYQIORGVHR-UHFFFAOYSA-N -2 0 384.841 2.952 20 0 GFADRL Cc1noc2ncc([N-]S(=O)(=O)c3cc(Cl)c(F)c(C(=O)[O-])c3)cc12 ZINC000767737679 656218045 /nfs/dbraw/zinc/21/80/45/656218045.db2.gz NCCZRWNHCLJZEH-UHFFFAOYSA-N -2 0 385.760 2.823 20 0 GFADRL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-]c2c(O)cccc2F)s1 ZINC000769630937 656283041 /nfs/dbraw/zinc/28/30/41/656283041.db2.gz ONXHQKWANYQNJH-UHFFFAOYSA-N -2 0 396.215 2.854 20 0 GFADRL COc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000775295980 656625638 /nfs/dbraw/zinc/62/56/38/656625638.db2.gz XAIMJIUFCWGEDK-UHFFFAOYSA-N -3 0 385.781 2.546 20 0 GFADRL C[C@@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000776575096 656761704 /nfs/dbraw/zinc/76/17/04/656761704.db2.gz YTGJVNSGYDPXQM-BQBZGAKWSA-N -2 0 389.342 2.940 20 0 GFADRL C[C@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000776638642 656773593 /nfs/dbraw/zinc/77/35/93/656773593.db2.gz PLMDJPAPYDCWDH-RCNPXXIZSA-N -2 0 387.326 2.694 20 0 GFADRL O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1cccc(Cl)c1F ZINC000852734794 661872572 /nfs/dbraw/zinc/87/25/72/661872572.db2.gz DFIFFHIPYQZDQM-PWSUYJOCSA-N -2 0 382.741 2.575 20 0 GFADRL CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000863961111 662351219 /nfs/dbraw/zinc/35/12/19/662351219.db2.gz HSFKHLOBHRPFSZ-UHFFFAOYSA-N -2 0 382.265 2.998 20 0 GFADRL O=C([O-])C1(C(=O)[N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC=CC1 ZINC000863958247 662351297 /nfs/dbraw/zinc/35/12/97/662351297.db2.gz QRQNHFKRWSNQKK-UHFFFAOYSA-N -2 0 397.758 2.585 20 0 GFADRL Cn1cnc(S(=O)(=O)[N-]c2cccc(CSCCC(=O)[O-])c2)c1Cl ZINC000739050412 677674463 /nfs/dbraw/zinc/67/44/63/677674463.db2.gz ZGFWURKNMCOTPL-UHFFFAOYSA-N -2 0 389.886 2.582 20 0 GFADRL CC(C)c1nc(S(=O)(=O)[N-]c2cc(Br)cc(C(=O)[O-])c2)c[nH]1 ZINC000156377004 551521875 /nfs/dbraw/zinc/52/18/75/551521875.db2.gz TXIVWTUCLVULSC-UHFFFAOYSA-N -2 0 388.243 2.795 20 0 GFADRL CCN(CC)C(=O)c1ccccc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000299127485 563376043 /nfs/dbraw/zinc/37/60/43/563376043.db2.gz BZFZTJDASXHACY-UHFFFAOYSA-N -2 0 382.463 2.729 20 0 GFADRL N#Cc1ccccc1S(=O)(=O)[N-]c1cc(Br)ccc1C(=O)[O-] ZINC000314481274 563439077 /nfs/dbraw/zinc/43/90/77/563439077.db2.gz AAWMGKZQBAFYON-UHFFFAOYSA-N -2 0 381.207 2.820 20 0 GFADRL COc1ccc(Cl)c(S(=O)(=O)NCC[C@@H](CC(=O)[O-])C(F)(F)F)c1 ZINC000285161770 563506314 /nfs/dbraw/zinc/50/63/14/563506314.db2.gz PJENFOOKDZFHHO-QMMMGPOBSA-N -2 0 389.779 2.670 20 0 GFADRL CC(=O)Nc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000433511224 563614325 /nfs/dbraw/zinc/61/43/25/563614325.db2.gz QLOAOEPPPNHYNU-UHFFFAOYSA-N -2 0 384.797 2.503 20 0 GFADRL Cc1ccc(NC(=O)N(C)C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000435491567 563652984 /nfs/dbraw/zinc/65/29/84/563652984.db2.gz TWTSZRFYMWBQNW-UHFFFAOYSA-N -2 0 383.451 2.649 20 0 GFADRL CCn1cc(S(=O)(=O)[N-]c2ccc(-c3nncs3)cc2)cc1C(=O)[O-] ZINC000439249838 563720551 /nfs/dbraw/zinc/72/05/51/563720551.db2.gz TUEWOOCAOZMYTQ-UHFFFAOYSA-N -2 0 378.435 2.526 20 0 GFADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2O)c1 ZINC000442843763 563781493 /nfs/dbraw/zinc/78/14/93/563781493.db2.gz UFCUTLNCICGMET-UHFFFAOYSA-N -2 0 377.296 2.790 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2O)ccc1OCC(=O)[O-] ZINC000471968174 564209349 /nfs/dbraw/zinc/20/93/49/564209349.db2.gz OISXZTLHBLYDJU-UHFFFAOYSA-N -2 0 389.788 2.757 20 0 GFADRL O=C([O-])c1cc(N2CCSCC2)ccc1[N-]S(=O)(=O)c1cccs1 ZINC000508036253 564250785 /nfs/dbraw/zinc/25/07/85/564250785.db2.gz QJZXLFTZKXHYBY-UHFFFAOYSA-N -2 0 384.504 2.800 20 0 GFADRL COc1cc(S(=O)(=O)[N-]c2scnc2C(C)C)cc(C(=O)[O-])c1OC ZINC000451102681 564274793 /nfs/dbraw/zinc/27/47/93/564274793.db2.gz KYSPPLRIADJJFP-UHFFFAOYSA-N -2 0 386.451 2.783 20 0 GFADRL CCc1oncc1[N-]S(=O)(=O)c1cc(Br)c(C)c(C(=O)[O-])c1 ZINC000509376964 564294701 /nfs/dbraw/zinc/29/47/01/564294701.db2.gz VGFMXEVXDPJKDL-UHFFFAOYSA-N -2 0 389.227 2.807 20 0 GFADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cccc1NC(=O)N(C)C ZINC000475827432 564322311 /nfs/dbraw/zinc/32/23/11/564322311.db2.gz COTLMAHEAPPKOZ-UHFFFAOYSA-N -2 0 383.451 2.649 20 0 GFADRL COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000544629086 564390803 /nfs/dbraw/zinc/39/08/03/564390803.db2.gz FULHCBMNXXEMLT-SNVBAGLBSA-N -2 0 383.447 2.599 20 0 GFADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000479180976 564430275 /nfs/dbraw/zinc/43/02/75/564430275.db2.gz HUOAMOMMKPKKII-UHFFFAOYSA-N -2 0 376.312 2.608 20 0 GFADRL Cc1c(Cl)cc(S(=O)(=O)[N-]c2cccc3c2OCCO3)cc1C(=O)[O-] ZINC000479270542 564433747 /nfs/dbraw/zinc/43/37/47/564433747.db2.gz VKJRFEVEHMFXTR-UHFFFAOYSA-N -2 0 383.809 2.919 20 0 GFADRL O=C([O-])c1cc2c(cc1[N-]S(=O)(=O)c1c(F)cccc1Cl)OCCO2 ZINC000545913672 564437778 /nfs/dbraw/zinc/43/77/78/564437778.db2.gz KDQWUMYMQLKNLM-UHFFFAOYSA-N -2 0 387.772 2.749 20 0 GFADRL COc1cccc(OC)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1SC ZINC000479521021 564443836 /nfs/dbraw/zinc/44/38/36/564443836.db2.gz YSQVNXKNAUCIJW-UHFFFAOYSA-N -2 0 383.447 2.925 20 0 GFADRL C[S@](=O)Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000546539197 564458516 /nfs/dbraw/zinc/45/85/16/564458516.db2.gz UXQXNAHTUBWWJZ-QHCPKHFHSA-N -2 0 387.866 2.718 20 0 GFADRL C[C@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000547562900 564494499 /nfs/dbraw/zinc/49/44/99/564494499.db2.gz OQKULGZAUNYIKZ-SSDOTTSWSA-N -2 0 385.225 2.681 20 0 GFADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(CC(=O)OC)s1 ZINC000547936746 564523568 /nfs/dbraw/zinc/52/35/68/564523568.db2.gz QSUKKMCHCOEISC-UHFFFAOYSA-N -2 0 383.447 2.525 20 0 GFADRL O=C([O-])c1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000548521634 564555683 /nfs/dbraw/zinc/55/56/83/564555683.db2.gz HPWHMNXYKIRGDP-UHFFFAOYSA-N -2 0 391.630 2.997 20 0 GFADRL O=C([O-])C[C@@H](NS(=O)(=O)c1ccc(Br)o1)c1ccccc1F ZINC000548570066 564562286 /nfs/dbraw/zinc/56/22/86/564562286.db2.gz PMTKURSIJXVMDG-SNVBAGLBSA-N -2 0 392.202 2.676 20 0 GFADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@H](C(=O)[O-])c1c(Cl)cccc1Cl ZINC000548592241 564565355 /nfs/dbraw/zinc/56/53/55/564565355.db2.gz AWIFGEOXZHIQIX-ANLVUFKYSA-N -2 0 380.171 2.989 20 0 GFADRL Cn1ncc(Cl)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000485392992 564613251 /nfs/dbraw/zinc/61/32/51/564613251.db2.gz JNXDKYCYUFUNGV-UHFFFAOYSA-N -2 0 383.735 2.591 20 0 GFADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(Cl)c1C(=O)[O-] ZINC000523100561 564661969 /nfs/dbraw/zinc/66/19/69/564661969.db2.gz XPXNUPRERFXQJM-UHFFFAOYSA-N -2 0 387.772 2.985 20 0 GFADRL O=C([O-])c1ccc([N-]S(=O)(=O)C[C@H]2CCCCO2)c(OC(F)(F)F)c1 ZINC000488269027 564707934 /nfs/dbraw/zinc/70/79/34/564707934.db2.gz ZEPYZQJSTKPXEA-SNVBAGLBSA-N -2 0 383.344 2.594 20 0 GFADRL CSc1ccc(N(C)S(=O)(=O)c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1 ZINC000496089494 564858372 /nfs/dbraw/zinc/85/83/72/564858372.db2.gz JZGUVHWYOQMINF-UHFFFAOYSA-N -2 0 381.431 2.630 20 0 GFADRL CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1)C(=O)[O-] ZINC000463788052 564889743 /nfs/dbraw/zinc/88/97/43/564889743.db2.gz IMLWHAJLWXMNRC-NSHDSACASA-N -3 0 383.447 2.900 20 0 GFADRL COC(=O)c1sccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000499525495 564929747 /nfs/dbraw/zinc/92/97/47/564929747.db2.gz ILYFTOALKZSLPG-UHFFFAOYSA-N -2 0 375.811 2.687 20 0 GFADRL CCc1noc(C)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Br ZINC000533166876 564956083 /nfs/dbraw/zinc/95/60/83/564956083.db2.gz GNRGQPVKYSBDSI-UHFFFAOYSA-N -2 0 389.227 2.807 20 0 GFADRL O=C([O-])CCC(=O)c1ccc(S(=O)(=O)[N-]c2scnc2C2CC2)cc1 ZINC000534974204 565000805 /nfs/dbraw/zinc/00/08/05/565000805.db2.gz JRFUPCUXFXWWSK-UHFFFAOYSA-N -2 0 380.447 2.869 20 0 GFADRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000505123462 565049390 /nfs/dbraw/zinc/04/93/90/565049390.db2.gz HRFQMYXRQYQQND-UHFFFAOYSA-N -3 0 391.810 2.607 20 0 GFADRL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000588622300 565134424 /nfs/dbraw/zinc/13/44/24/565134424.db2.gz FWYDKZGVXHXXLQ-UHFFFAOYSA-N -2 0 383.809 2.919 20 0 GFADRL CCN(C(=O)c1cc(Br)c([O-])c(Br)c1)[C@@H](C)C(=O)[O-] ZINC000659776205 565223969 /nfs/dbraw/zinc/22/39/69/565223969.db2.gz PBCOKOKXCQNXJY-LURJTMIESA-N -2 0 395.047 2.852 20 0 GFADRL C[C@H]1C[C@@H](S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC(F)(F)F)CCO1 ZINC000650412555 565818045 /nfs/dbraw/zinc/81/80/45/565818045.db2.gz LVSRXKLNDLLHCM-WPRPVWTQSA-N -2 0 383.344 2.593 20 0 GFADRL CC(=O)Nc1nc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])s1 ZINC000606342894 565962077 /nfs/dbraw/zinc/96/20/77/565962077.db2.gz CHTGXPQSBPMUQN-UHFFFAOYSA-N -2 0 389.842 2.562 20 0 GFADRL CN(CCC(=O)[O-])C(=O)c1nn(-c2ccc(Cl)cc2C(F)(F)F)cc1[O-] ZINC000818457295 597013716 /nfs/dbraw/zinc/01/37/16/597013716.db2.gz PTRDHOGEJIEUHI-UHFFFAOYSA-N -2 0 391.733 2.797 20 0 GFADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2CC(=O)[O-])c(Cl)c1 ZINC000818523891 597312970 /nfs/dbraw/zinc/31/29/70/597312970.db2.gz MUYZAQVZIHUYLG-UHFFFAOYSA-N -2 0 383.809 2.555 20 0 GFADRL CC1(C)Oc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(F)cc3F)cc2O1 ZINC000736739024 600231542 /nfs/dbraw/zinc/23/15/42/600231542.db2.gz ZIIPOTVOKVFGOU-UHFFFAOYSA-N -2 0 385.344 2.971 20 0 GFADRL Cn1ccnc1Sc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000739047939 599739967 /nfs/dbraw/zinc/73/99/67/599739967.db2.gz JGYKWKFEZWMJOS-UHFFFAOYSA-N -2 0 379.419 2.663 20 0 GFADRL O=C([O-])C[C@@H]1CN(S(=O)(=O)c2ccsc2C(=O)[O-])c2ccccc2S1 ZINC000739648045 599753374 /nfs/dbraw/zinc/75/33/74/599753374.db2.gz KZFKXFUQJUCVRM-SECBINFHSA-N -2 0 399.471 2.591 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)c(C(=O)[O-])s1 ZINC000737679921 599813731 /nfs/dbraw/zinc/81/37/31/599813731.db2.gz DVPZGPPQVPXAHX-UHFFFAOYSA-N -2 0 389.838 2.996 20 0 GFADRL O=C([O-])c1cc2c(c(S(=O)(=O)Nc3cccc(F)c3C(=O)[O-])c1)CCCC2 ZINC000518646758 599852015 /nfs/dbraw/zinc/85/20/15/599852015.db2.gz KSIMWEYAYQZGFF-UHFFFAOYSA-N -2 0 393.392 2.902 20 0 GFADRL O=C([O-])CCc1ccc([N-]S(=O)(=O)c2cc3c(cc2Cl)NC(=O)C3)cc1 ZINC000739767640 599855511 /nfs/dbraw/zinc/85/55/11/599855511.db2.gz WPALOWMRMHZTKB-UHFFFAOYSA-N -2 0 394.836 2.653 20 0 GFADRL O=C([O-])CC[C@@H](NC(=O)c1ccc2c(=O)[nH]c(=S)[n-]c2c1)c1ccccc1 ZINC000739662740 599986248 /nfs/dbraw/zinc/98/62/48/599986248.db2.gz XPHZMXAEMOILNC-CQSZACIVSA-N -2 0 383.429 2.960 20 0 GFADRL CC1=C(C(=O)[O-])[C@@H](c2ccccc2OC(F)F)NC(=O)N1CCCCC(=O)[O-] ZINC000736750105 599989070 /nfs/dbraw/zinc/98/90/70/599989070.db2.gz IHZGNNFWSYLMQB-OAHLLOKOSA-N -2 0 398.362 2.968 20 0 GFADRL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2c(Cl)nc3sccn32)c1 ZINC000728507376 600006169 /nfs/dbraw/zinc/00/61/69/600006169.db2.gz SEGQLLYKRXZGIO-UHFFFAOYSA-N -2 0 387.826 2.557 20 0 GFADRL Cc1cccc(C(N)=O)c1[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000738695810 600052909 /nfs/dbraw/zinc/05/29/09/600052909.db2.gz RILQUJMZWUPNRL-UHFFFAOYSA-N -2 0 390.442 2.808 20 0 GFADRL NC(=O)c1cc([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])ccc1F ZINC000739177572 600053144 /nfs/dbraw/zinc/05/31/44/600053144.db2.gz OQJCRNLGWDJZEG-UHFFFAOYSA-N -2 0 394.405 2.638 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccnn2CCc2ccccc2)s1 ZINC000740187771 600055519 /nfs/dbraw/zinc/05/55/19/600055519.db2.gz UWSNRHKARKSJIR-UHFFFAOYSA-N -2 0 377.447 2.686 20 0 GFADRL Cc1ccc(NC(=O)CCn2c(=O)c3ccccc3[n-]c2=S)c(C(=O)[O-])c1 ZINC000738621782 600074249 /nfs/dbraw/zinc/07/42/49/600074249.db2.gz LXRQEXCQLKOABM-UHFFFAOYSA-N -2 0 383.429 2.721 20 0 GFADRL Cc1cc(C(=O)[O-])c2sc([N-]S(=O)(=O)c3ccc(F)cc3F)nc2n1 ZINC000738346565 600102269 /nfs/dbraw/zinc/10/22/69/600102269.db2.gz XAVYACCEHXYNLB-UHFFFAOYSA-N -2 0 385.373 2.777 20 0 GFADRL COc1ccccc1S(=O)(=O)[N-]c1nc2nc(C)cc(C(=O)[O-])c2s1 ZINC000738142442 600102285 /nfs/dbraw/zinc/10/22/85/600102285.db2.gz IOXHQUYQGMLVLF-UHFFFAOYSA-N -2 0 379.419 2.507 20 0 GFADRL O=C([O-])[C@H](CNC(=O)c1cccc(Br)c1[O-])Cc1ccc(O)cc1 ZINC000739397298 600179613 /nfs/dbraw/zinc/17/96/13/600179613.db2.gz NTWSMUJLXXHFFR-NSHDSACASA-N -2 0 394.221 2.534 20 0 GFADRL COC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1C ZINC000737712005 600232056 /nfs/dbraw/zinc/23/20/56/600232056.db2.gz DFOJPLJOIDVOIW-UHFFFAOYSA-N -2 0 385.344 2.559 20 0 GFADRL Cc1[nH]nc(S(=O)(=O)[N-]c2c(C)cc(Br)cc2C)c1C(=O)[O-] ZINC000738313951 600232071 /nfs/dbraw/zinc/23/20/71/600232071.db2.gz DHMODNNHTCSSLN-UHFFFAOYSA-N -2 0 388.243 2.596 20 0 GFADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccc3c(C(=O)[O-])c[nH]c3c2)c1C(=O)[O-] ZINC000738970249 600237014 /nfs/dbraw/zinc/23/70/14/600237014.db2.gz SWURJIJIPGOTDH-UHFFFAOYSA-N -3 0 378.362 2.575 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)c(Cl)cc1F ZINC000740088396 600238742 /nfs/dbraw/zinc/23/87/42/600238742.db2.gz VPNCFMAYNDEEQY-SNVBAGLBSA-N -2 0 399.783 2.554 20 0 GFADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2c3c(nn2-c2ccccc2)CCC3)cc1 ZINC000739886354 600244349 /nfs/dbraw/zinc/24/43/49/600244349.db2.gz CKFUWHZRRURZIB-UHFFFAOYSA-N -2 0 397.456 2.789 20 0 GFADRL CS(=O)(=O)[N-]c1ccccc1C(=O)O[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000738167353 600323246 /nfs/dbraw/zinc/32/32/46/600323246.db2.gz ABATZWBIXZXANX-AWEZNQCLSA-N -2 0 383.809 2.694 20 0 GFADRL O=C([O-])c1cc(-c2csc(NC(=O)c3n[n-]c4ccccc4c3=O)n2)c[nH]1 ZINC000740068438 600360360 /nfs/dbraw/zinc/36/03/60/600360360.db2.gz GEKGYBANDRMMAL-UHFFFAOYSA-N -2 0 381.373 2.738 20 0 GFADRL Cc1cc(C(=O)[O-])c2sc([N-]S(=O)(=O)c3cnc(Cl)c(C)c3)nc2n1 ZINC000738346263 600377460 /nfs/dbraw/zinc/37/74/60/600377460.db2.gz ZPAYLIZLCNHXMH-UHFFFAOYSA-N -2 0 398.853 2.856 20 0 GFADRL O=C([O-])CCOc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C(=O)[O-])cc1 ZINC000739743775 600383593 /nfs/dbraw/zinc/38/35/93/600383593.db2.gz VVGTXHWPBPUSLB-UHFFFAOYSA-N -2 0 399.808 2.693 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2ccc(OCCCC(=O)[O-])cc2)sc1C(=O)[O-] ZINC000738477070 600487968 /nfs/dbraw/zinc/48/79/68/600487968.db2.gz HFHBVXSOABYIBO-UHFFFAOYSA-N -3 0 399.446 2.799 20 0 GFADRL CCNC([S-])=C(C([O-])=C1[NH+]=C(C)C(C(=O)[O-])=C1C)[n+]1cccc([O-])c1Cl ZINC000737121892 600488818 /nfs/dbraw/zinc/48/88/18/600488818.db2.gz CLLOTHNOJBNDNA-UHFFFAOYSA-O -2 0 396.876 2.644 20 0 GFADRL Cc1ccc(CN2CCSCC2)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000738598033 600513401 /nfs/dbraw/zinc/51/34/01/600513401.db2.gz NXUSZXRBBFTYBY-UHFFFAOYSA-N -2 0 396.490 2.636 20 0 GFADRL CC(C)(C)[C@H](NC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1)C(=O)[O-] ZINC000675984495 600552409 /nfs/dbraw/zinc/55/24/09/600552409.db2.gz DALRWLAPCCXUHK-CQSZACIVSA-N -2 0 396.490 2.778 20 0 GFADRL C[S@@](=O)Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC000734415737 600613544 /nfs/dbraw/zinc/61/35/44/600613544.db2.gz GLLXMIOYAMAUQA-HSZRJFAPSA-N -2 0 387.866 2.718 20 0 GFADRL CCNC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000481978620 600628749 /nfs/dbraw/zinc/62/87/49/600628749.db2.gz DWWUKVHFUQONJJ-UHFFFAOYSA-N -2 0 396.852 2.518 20 0 GFADRL Cn1nc(-c2ccncc2)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000739057286 600672805 /nfs/dbraw/zinc/67/28/05/600672805.db2.gz JLPCTXCKEDGIEY-UHFFFAOYSA-N -2 0 392.824 2.635 20 0 GFADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2ccc(Oc3cccc(F)c3)cc2)cn1 ZINC000833274882 600677124 /nfs/dbraw/zinc/67/71/24/600677124.db2.gz LTQFBIXONFMVFB-UHFFFAOYSA-N -2 0 391.380 2.700 20 0 GFADRL COC(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2F)ccc1C(=O)[O-] ZINC000831326841 600689056 /nfs/dbraw/zinc/68/90/56/600689056.db2.gz BEYRWHXFVZYJQW-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL Cn1cc(S(=O)(=O)[N-]c2cc(C(C)(C)C)nn2C(C)(C)C)cc1C(=O)[O-] ZINC000833055509 600815619 /nfs/dbraw/zinc/81/56/19/600815619.db2.gz KLFPCTDQYLBJEC-UHFFFAOYSA-N -2 0 382.486 2.773 20 0 GFADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)c1OC ZINC000267503732 600898978 /nfs/dbraw/zinc/89/89/78/600898978.db2.gz IBIPFXDWIABFHT-SNVBAGLBSA-N -2 0 393.417 2.526 20 0 GFADRL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)ccc1Cl ZINC000327028474 601119829 /nfs/dbraw/zinc/11/98/29/601119829.db2.gz UNYIYXNGKWYIHY-UHFFFAOYSA-N -3 0 391.735 2.815 20 0 GFADRL COc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)c(Cl)cc1C(=O)[O-] ZINC000832097790 601224472 /nfs/dbraw/zinc/22/44/72/601224472.db2.gz MQHPVKGJVDVHKV-UHFFFAOYSA-N -3 0 399.808 2.854 20 0 GFADRL COCc1nc2cc([N-]S(=O)(=O)c3cc(F)ccc3C(=O)[O-])ccc2o1 ZINC000831831587 601230201 /nfs/dbraw/zinc/23/02/01/601230201.db2.gz MJDVWIHMCOTIAH-UHFFFAOYSA-N -2 0 380.353 2.612 20 0 GFADRL CC(=O)N(Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)cc1)C1CC1 ZINC000825823801 601233554 /nfs/dbraw/zinc/23/35/54/601233554.db2.gz UYTGNTRUHUEHIP-UHFFFAOYSA-N -2 0 392.433 2.598 20 0 GFADRL COc1ccc(NC(C)=O)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c1 ZINC000516240441 601326198 /nfs/dbraw/zinc/32/61/98/601326198.db2.gz LWIDKKDJYMVWFO-UHFFFAOYSA-N -2 0 392.433 2.769 20 0 GFADRL COc1ccc(NC(C)=O)c([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)c1 ZINC000832408614 601326770 /nfs/dbraw/zinc/32/67/70/601326770.db2.gz XNNJKRPQGXNKIO-YHYXMXQVSA-N -2 0 390.417 2.552 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OCC2CC2)cc1 ZINC000497947067 601330886 /nfs/dbraw/zinc/33/08/86/601330886.db2.gz WIPSZOXMVBWPNP-UHFFFAOYSA-N -2 0 377.418 2.983 20 0 GFADRL Cc1cc(C)c(C(=O)[O-])c(NS(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)c1 ZINC000832871950 601335414 /nfs/dbraw/zinc/33/54/14/601335414.db2.gz FBWJLDBEDSXKDZ-VMPITWQZSA-N -2 0 375.402 2.900 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2-c2nc(C3CC3)no2)o1 ZINC000833323649 601335734 /nfs/dbraw/zinc/33/57/34/601335734.db2.gz WTBMBCOFLFFLMK-UHFFFAOYSA-N -2 0 393.352 2.845 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccnn1[C@H](C)CC(C)C ZINC000832208706 601359025 /nfs/dbraw/zinc/35/90/25/601359025.db2.gz OIJZJPGHSOWLQU-GFCCVEGCSA-N -2 0 381.454 2.998 20 0 GFADRL CC(C)COc1ccc([N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)cn1 ZINC000751143955 601483705 /nfs/dbraw/zinc/48/37/05/601483705.db2.gz ZTWMDPRFOMWWHJ-UHFFFAOYSA-N -2 0 386.376 2.894 20 0 GFADRL COc1cc(OC)c([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)cc1F ZINC000832034521 601489875 /nfs/dbraw/zinc/48/98/75/601489875.db2.gz WYKYMNLKRPMFGT-VMPITWQZSA-N -2 0 381.381 2.742 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2nnc(Cc3ccccc3)s2)s1 ZINC000833323915 601502787 /nfs/dbraw/zinc/50/27/87/601502787.db2.gz BPJJEQIDGCCDBU-UHFFFAOYSA-N -2 0 381.460 2.689 20 0 GFADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1nnc(Cc2ccccc2)s1 ZINC000832869146 601502791 /nfs/dbraw/zinc/50/27/91/601502791.db2.gz ZUITWYAGQZWFNN-UHFFFAOYSA-N -2 0 389.458 2.936 20 0 GFADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2nnc(Cc3ccccc3)s2)cc1 ZINC000833267604 601502812 /nfs/dbraw/zinc/50/28/12/601502812.db2.gz NWIVATAQEIROPA-UHFFFAOYSA-N -2 0 389.458 2.557 20 0 GFADRL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000443368291 601574969 /nfs/dbraw/zinc/57/49/69/601574969.db2.gz FHTZTSFDYOBMMP-UHFFFAOYSA-N -3 0 393.417 2.600 20 0 GFADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000443355253 601575784 /nfs/dbraw/zinc/57/57/84/601575784.db2.gz BOOMBDVVHZQETN-UHFFFAOYSA-N -3 0 379.390 2.673 20 0 GFADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1cc(C2CC2)nn1-c1ccccc1 ZINC000833345354 601769372 /nfs/dbraw/zinc/76/93/72/601769372.db2.gz RELWDUAEOYWOBI-UHFFFAOYSA-N -2 0 390.446 2.705 20 0 GFADRL COc1cccc([C@H](C)CC(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)c1 ZINC000832529008 601843288 /nfs/dbraw/zinc/84/32/88/601843288.db2.gz UTZZAZDUDQYIAB-CYBMUJFWSA-N -2 0 391.445 2.533 20 0 GFADRL CC(C)CCS(=O)(=O)[N-]C(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000826860686 602036679 /nfs/dbraw/zinc/03/66/79/602036679.db2.gz AMQJVYVQJCVYJX-UHFFFAOYSA-N -2 0 382.360 2.901 20 0 GFADRL CC[C@@H](c1nnc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)s1)c1ccccc1 ZINC000829033886 602102579 /nfs/dbraw/zinc/10/25/79/602102579.db2.gz ZKTMKETXFCZPHK-GFCCVEGCSA-N -2 0 392.462 2.907 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2nnc(-c3ccsc3)s2)cc1C(=O)[O-] ZINC000832468496 602103173 /nfs/dbraw/zinc/10/31/73/602103173.db2.gz FTYJQLFTMYCTFA-UHFFFAOYSA-N -2 0 397.459 2.774 20 0 GFADRL Cc1c(Br)cccc1S(=O)(=O)[N-]c1csnc1C(=O)[O-] ZINC000832849656 602157892 /nfs/dbraw/zinc/15/78/92/602157892.db2.gz OBFIUIJBGKZUNH-UHFFFAOYSA-N -2 0 377.241 2.713 20 0 GFADRL CN1CCCc2ccc(S(=O)(=O)[N-]c3nc(CCCC(=O)[O-])cs3)cc21 ZINC000830946573 602306203 /nfs/dbraw/zinc/30/62/03/602306203.db2.gz QDYBILCXJSNXCN-UHFFFAOYSA-N -2 0 395.506 2.734 20 0 GFADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1cccc(C(=O)CCC(=O)[O-])c1 ZINC000468873765 602308774 /nfs/dbraw/zinc/30/87/74/602308774.db2.gz GZGSHFGXXGHRQI-UHFFFAOYSA-N -2 0 391.401 2.542 20 0 GFADRL CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(OC)ccc2NC(=O)[O-])cc1 ZINC000739210211 602651829 /nfs/dbraw/zinc/65/18/29/602651829.db2.gz RSQNOMKQBCGHNG-UHFFFAOYSA-N -2 0 393.421 2.934 20 0 GFADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2c1CCN2C(=O)[O-] ZINC000830957336 604015741 /nfs/dbraw/zinc/01/57/41/604015741.db2.gz OXMMWDHTCQYPIP-UHFFFAOYSA-N -3 0 382.419 2.596 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@@H](C)C2CCN(C(=O)[O-])CC2)c(C)c1 ZINC000830415440 604383056 /nfs/dbraw/zinc/38/30/56/604383056.db2.gz RJHXZQBURNOHDW-CYBMUJFWSA-N -2 0 382.482 2.525 20 0 GFADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Br)cn1 ZINC000832953030 604402619 /nfs/dbraw/zinc/40/26/19/604402619.db2.gz YKMUAFPNGSNJJF-UHFFFAOYSA-N -2 0 389.202 2.791 20 0 GFADRL COC(=O)c1cncc([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])c1 ZINC000833716869 604536113 /nfs/dbraw/zinc/53/61/13/604536113.db2.gz CSVGBPQFRLDRKP-UHFFFAOYSA-N -2 0 392.414 2.582 20 0 GFADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(-c3cccnc3)[nH]n2)c1 ZINC000833317017 604773704 /nfs/dbraw/zinc/77/37/04/604773704.db2.gz KHPDNVWSMWAVAC-UHFFFAOYSA-N -2 0 378.797 2.624 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2ccc3ncccc3c2)c(OC)c1C(=O)[O-] ZINC000833734569 604861882 /nfs/dbraw/zinc/86/18/82/604861882.db2.gz NIDFHNLJDWWQNR-UHFFFAOYSA-N -2 0 388.401 2.751 20 0 GFADRL CC(C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000438811117 604990763 /nfs/dbraw/zinc/99/07/63/604990763.db2.gz LLDGTXYLCOHVRR-UHFFFAOYSA-N -2 0 396.852 2.977 20 0 GFADRL CC(C)Oc1ccc(S(=O)(=O)[N-]C(=O)c2cccc(NC(=O)[O-])c2)cc1 ZINC000833506508 605021762 /nfs/dbraw/zinc/02/17/62/605021762.db2.gz GBUVXYPRPQUCJF-UHFFFAOYSA-N -2 0 378.406 2.682 20 0 GFADRL COCc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2OC(F)F)cc1 ZINC000833725797 605042037 /nfs/dbraw/zinc/04/20/37/605042037.db2.gz GJDNDKTZRZNDHW-UHFFFAOYSA-N -2 0 387.360 2.933 20 0 GFADRL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000833741660 605127411 /nfs/dbraw/zinc/12/74/11/605127411.db2.gz SNVZSLJWNPKTOG-UHFFFAOYSA-N -3 0 375.811 2.907 20 0 GFADRL COc1ccc2nc(Cl)ccc2c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])nc1 ZINC000833734975 605165686 /nfs/dbraw/zinc/16/56/86/605165686.db2.gz OQNSNTYWAORDEA-UHFFFAOYSA-N -2 0 393.808 2.791 20 0 GFADRL COc1cc(OC)c([N-]S(=O)(=O)c2ccc(Cl)cc2C(=O)[O-])cc1F ZINC000833728366 605168292 /nfs/dbraw/zinc/16/82/92/605168292.db2.gz BUZQYDYYAIKBMZ-UHFFFAOYSA-N -2 0 389.788 2.995 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cc1OCC(F)(F)F ZINC000833733303 605186574 /nfs/dbraw/zinc/18/65/74/605186574.db2.gz NDDNBSPGZJWXQE-UHFFFAOYSA-N -2 0 395.311 2.728 20 0 GFADRL C[C@]1([N-]S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)CCCC[C@@H]1C(=O)[O-] ZINC000833570864 605246601 /nfs/dbraw/zinc/24/66/01/605246601.db2.gz UKOXJNZWYYNSTB-RCNPXXIZSA-N -2 0 387.326 2.694 20 0 GFADRL CCOc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(NC(=O)[O-])c(C)c2)cc1 ZINC000827444100 605342816 /nfs/dbraw/zinc/34/28/16/605342816.db2.gz BYTIBUOLMOKALJ-UHFFFAOYSA-N -2 0 378.406 2.602 20 0 GFADRL O=C([O-])CCOc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccn2)cc1 ZINC000833774977 605586431 /nfs/dbraw/zinc/58/64/31/605586431.db2.gz PRHVUAHWXSFFFF-UHFFFAOYSA-N -2 0 390.339 2.755 20 0 GFADRL O=C([O-])NC[C@H](NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-])c1ccc2ccccc2c1 ZINC000834211290 605622582 /nfs/dbraw/zinc/62/25/82/605622582.db2.gz VTJZZIQQEOUJEH-KURKYZTESA-N -2 0 382.416 2.932 20 0 GFADRL O=C([O-])CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccc(CNC(=O)[O-])cc1 ZINC000834060049 606050386 /nfs/dbraw/zinc/05/03/86/606050386.db2.gz MZIYCEYNIBZFNK-UHFFFAOYSA-N -2 0 392.358 2.850 20 0 GFADRL O=C(CCc1ccco1)[N-][N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000158108264 655104900 /nfs/dbraw/zinc/10/49/00/655104900.db2.gz VLECSIZPCUETQD-UHFFFAOYSA-N -2 0 396.774 2.894 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnn(CC(F)(F)F)c2)cc1Cl ZINC000174725547 655206918 /nfs/dbraw/zinc/20/69/18/655206918.db2.gz WVCYGZRSNQJJTM-UHFFFAOYSA-N -2 0 383.735 2.598 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCCC(=O)N3)sc1C(=O)[O-] ZINC000264073279 655456995 /nfs/dbraw/zinc/45/69/95/655456995.db2.gz GXZSROBEFKTJNM-UHFFFAOYSA-N -2 0 380.447 2.830 20 0 GFADRL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)C(F)F ZINC000577757732 655466631 /nfs/dbraw/zinc/46/66/31/655466631.db2.gz DZXQOARFUBJFLX-YFKPBYRVSA-N -2 0 380.171 2.767 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Cl)ccc1C(N)=O ZINC000753778262 655858511 /nfs/dbraw/zinc/85/85/11/655858511.db2.gz FBMXRSXDTIROBB-UHFFFAOYSA-N -2 0 382.825 2.555 20 0 GFADRL O=C([O-])c1cc(N2CCCC2)ccc1[N-]S(=O)(=O)c1cccnc1Cl ZINC000758164144 655924796 /nfs/dbraw/zinc/92/47/96/655924796.db2.gz UDIPTBNYYNEWMP-UHFFFAOYSA-N -2 0 381.841 2.834 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2O)c1Br ZINC000762463427 656043019 /nfs/dbraw/zinc/04/30/19/656043019.db2.gz OUNGFPINWBISGY-UHFFFAOYSA-N -2 0 386.223 2.962 20 0 GFADRL COc1cc(S(=O)(=O)[N-]c2ccc(C[C@H](C)C(=O)[O-])cc2)cnc1Cl ZINC000767474104 656205592 /nfs/dbraw/zinc/20/55/92/656205592.db2.gz WCHNDEYDDSVWNM-JTQLQIEISA-N -2 0 384.841 2.808 20 0 GFADRL CN(c1ccc(C(=O)[O-])cc1)S(=O)(=O)c1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC000783531321 657238176 /nfs/dbraw/zinc/23/81/76/657238176.db2.gz CAIVSEUTUJJBSG-UHFFFAOYSA-N -2 0 387.772 2.701 20 0 GFADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(N3CCC3=O)c2)c1 ZINC000790351313 657957290 /nfs/dbraw/zinc/95/72/90/657957290.db2.gz LVPVCZKFZKUBKG-UHFFFAOYSA-N -2 0 380.809 2.576 20 0 GFADRL COc1cc(O)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(OC)cc2Cl)c1 ZINC000790406545 657970047 /nfs/dbraw/zinc/97/00/47/657970047.db2.gz VNYXWCMVZQFSAI-UHFFFAOYSA-N -2 0 387.797 2.562 20 0 GFADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000799744516 659220828 /nfs/dbraw/zinc/22/08/28/659220828.db2.gz DSXVNSGRENNUTO-QUBYGPBYSA-N -2 0 394.198 2.859 20 0 GFADRL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1cc2c(cc1C(=O)[O-])CCCC2 ZINC000800844452 659338892 /nfs/dbraw/zinc/33/88/92/659338892.db2.gz KDGZZUWXQTWPHM-UHFFFAOYSA-N -2 0 383.857 2.760 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(OC(F)F)nc2)c(Cl)cc1F ZINC000802722796 659496468 /nfs/dbraw/zinc/49/64/68/659496468.db2.gz JRWHMAIGBMQYNQ-UHFFFAOYSA-N -2 0 396.730 2.975 20 0 GFADRL CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc3oc(=S)[n-]c3c2)c1 ZINC000816823200 660169629 /nfs/dbraw/zinc/16/96/29/660169629.db2.gz LWVKDEUVGPUHTI-UHFFFAOYSA-N -2 0 378.431 2.868 20 0 GFADRL COc1ccc(NC(C)=O)cc1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000045774681 551147946 /nfs/dbraw/zinc/14/79/46/551147946.db2.gz RUCAVPVIBSONJK-UHFFFAOYSA-N -2 0 384.435 2.523 20 0 GFADRL COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1Cl ZINC000054795618 551170333 /nfs/dbraw/zinc/17/03/33/551170333.db2.gz OFTIFTIKSRNXSG-UHFFFAOYSA-N -2 0 385.781 2.546 20 0 GFADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C)cc(Br)c1O ZINC000477314913 564373005 /nfs/dbraw/zinc/37/30/05/564373005.db2.gz DUHRULGWDFCLLI-UHFFFAOYSA-N -2 0 390.211 2.864 20 0 GFADRL CC[C@H](CCC(=O)[O-])NS(=O)(=O)c1cc(Cl)ccc1OCCCOC ZINC000296858500 563305679 /nfs/dbraw/zinc/30/56/79/563305679.db2.gz DBVSDSAZQHGSMI-CYBMUJFWSA-N -2 0 393.889 2.677 20 0 GFADRL CC(C)n1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)n1 ZINC000281153771 563367648 /nfs/dbraw/zinc/36/76/48/563367648.db2.gz OSBXHGYVWLSPTC-UHFFFAOYSA-N -2 0 377.344 2.982 20 0 GFADRL COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)[O-] ZINC000326758029 563456012 /nfs/dbraw/zinc/45/60/12/563456012.db2.gz NQKANJRBMMEIGK-UHFFFAOYSA-N -2 0 387.797 2.835 20 0 GFADRL COC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C ZINC000327041451 563456741 /nfs/dbraw/zinc/45/67/41/563456741.db2.gz PPYHNRKPSDMKOM-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL O=C([O-])C[C@H](CCNS(=O)(=O)c1cc(F)cc(Cl)c1)C(F)(F)F ZINC000285195738 563508168 /nfs/dbraw/zinc/50/81/68/563508168.db2.gz QYBCPABBIDVKOP-ZETCQYMHSA-N -2 0 377.743 2.801 20 0 GFADRL COCCOc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000393078625 563528615 /nfs/dbraw/zinc/52/86/15/563528615.db2.gz KRKFCVCUNSZOJU-UHFFFAOYSA-N -2 0 385.825 2.864 20 0 GFADRL Cn1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1C(F)(F)F ZINC000436149458 563665806 /nfs/dbraw/zinc/66/58/06/563665806.db2.gz DUHXLUXIIAMXTM-UHFFFAOYSA-N -2 0 383.735 2.591 20 0 GFADRL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2O)c1 ZINC000436869216 563683105 /nfs/dbraw/zinc/68/31/05/563683105.db2.gz JOBIKQWMTPJHFS-UHFFFAOYSA-N -2 0 375.761 2.698 20 0 GFADRL Cc1cnn(C)c1S(=O)(=O)[N-]c1cc(-c2ccccc2)sc1C(=O)[O-] ZINC000506584375 564205385 /nfs/dbraw/zinc/20/53/85/564205385.db2.gz KVXFKQONJDBGIL-UHFFFAOYSA-N -2 0 377.447 2.956 20 0 GFADRL C[C@@H](Cc1ccc([N-]S(=O)(=O)c2cncc(Br)c2)cc1)C(=O)[O-] ZINC000507903163 564246920 /nfs/dbraw/zinc/24/69/20/564246920.db2.gz PIWPLWTYOLGFCA-JTQLQIEISA-N -2 0 399.266 2.908 20 0 GFADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(=O)[O-])c(Cl)c1 ZINC000509576977 564304828 /nfs/dbraw/zinc/30/48/28/564304828.db2.gz JFWHGWSAGUESTM-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(N(C)C)cc1C(=O)[O-] ZINC000567606660 564379763 /nfs/dbraw/zinc/37/97/63/564379763.db2.gz DKCGEVUIINVADB-UHFFFAOYSA-N -2 0 384.841 2.914 20 0 GFADRL Cc1c(Cl)cc(S(=O)(=O)[N-]c2cnn(CC(F)F)c2)cc1C(=O)[O-] ZINC000479250726 564432947 /nfs/dbraw/zinc/43/29/47/564432947.db2.gz QEWDXQVFSQHLIK-UHFFFAOYSA-N -2 0 379.772 2.609 20 0 GFADRL COC(=O)Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)s1 ZINC000547546716 564492726 /nfs/dbraw/zinc/49/27/26/564492726.db2.gz OZEGKEVYLLMXQC-UHFFFAOYSA-N -2 0 389.838 2.616 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)ccc1Br ZINC000481465498 564513651 /nfs/dbraw/zinc/51/36/51/564513651.db2.gz KILMBLQHADPBKQ-UHFFFAOYSA-N -2 0 386.223 2.962 20 0 GFADRL O=C([O-])[C@@H](CC1CCCC1)NS(=O)(=O)c1ccc(F)cc1Br ZINC000547893113 564516624 /nfs/dbraw/zinc/51/66/24/564516624.db2.gz XTNNHTICMILHNV-GFCCVEGCSA-N -2 0 394.262 2.900 20 0 GFADRL C[C@@H](CC[N-]S(=O)(=O)c1cc(F)c(Br)cc1F)CC(=O)[O-] ZINC000548265774 564545370 /nfs/dbraw/zinc/54/53/70/564545370.db2.gz JKDMJPQSWJZRLS-ZETCQYMHSA-N -2 0 386.214 2.507 20 0 GFADRL COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]c1cccc(Cl)c1C(=O)[O-] ZINC000548521651 564555331 /nfs/dbraw/zinc/55/53/31/564555331.db2.gz LERIFKQHOASPDN-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2cc(Cl)cc(Br)c2[O-])C1 ZINC000571680371 564561391 /nfs/dbraw/zinc/56/13/91/564561391.db2.gz VIQTWYDXEWARGA-YUMQZZPRSA-N -2 0 376.634 2.991 20 0 GFADRL Cc1c([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)cccc1C(=O)[O-] ZINC000485202327 564609871 /nfs/dbraw/zinc/60/98/71/564609871.db2.gz FMZBYIHQDGBZHW-UHFFFAOYSA-N -2 0 382.781 2.582 20 0 GFADRL O=C([O-])C[C@@H]([N-]S(=O)(=O)CC(F)(F)F)c1ccc(OC(F)(F)F)cc1 ZINC000573960705 564661959 /nfs/dbraw/zinc/66/19/59/564661959.db2.gz GJYOFSJJPMRVQC-SECBINFHSA-N -2 0 395.277 2.583 20 0 GFADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Br)cc1O ZINC000525173989 564694113 /nfs/dbraw/zinc/69/41/13/564694113.db2.gz CFWIGWCBXKTPLB-UHFFFAOYSA-N -2 0 386.223 2.962 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(Br)ccc2O)cc1F ZINC000489558092 564744008 /nfs/dbraw/zinc/74/40/08/564744008.db2.gz NUBHVDCRNPCGRA-UHFFFAOYSA-N -2 0 390.186 2.793 20 0 GFADRL COc1ccc(Br)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccccc1 ZINC000462099174 564818365 /nfs/dbraw/zinc/81/83/65/564818365.db2.gz FOXCFCWMRCRZKY-UHFFFAOYSA-N -2 0 386.223 2.957 20 0 GFADRL CCCCOc1ccc(CCNS(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC000582963436 564869927 /nfs/dbraw/zinc/86/99/27/564869927.db2.gz ZXVTXYYROTZMLT-UHFFFAOYSA-N -2 0 384.479 2.541 20 0 GFADRL Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000558861906 564916970 /nfs/dbraw/zinc/91/69/70/564916970.db2.gz VHIWTALJLGILOA-UHFFFAOYSA-N -2 0 389.202 2.791 20 0 GFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(Br)ccc2F)c(O)c1 ZINC000467751757 564971099 /nfs/dbraw/zinc/97/10/99/564971099.db2.gz ICBGSTNJEYBGCP-UHFFFAOYSA-N -2 0 390.186 2.793 20 0 GFADRL O=C([O-])c1cc(Br)cc(S(=O)(=O)[N-]c2cc(F)ccc2O)c1 ZINC000534973876 565000727 /nfs/dbraw/zinc/00/07/27/565000727.db2.gz CFOMXCYNZBLXEK-UHFFFAOYSA-N -2 0 390.186 2.793 20 0 GFADRL O=C([O-])CC[C@H](C[N-]S(=O)(=O)c1cc2cc(F)ccc2o1)C(F)(F)F ZINC000663293969 565408395 /nfs/dbraw/zinc/40/83/95/565408395.db2.gz NQCCLUYKONWPTL-SECBINFHSA-N -2 0 383.319 2.894 20 0 GFADRL CC[C@H](NC(=O)c1cc(Br)c([O-])c(Br)c1)C(=O)[O-] ZINC000647257577 565649076 /nfs/dbraw/zinc/64/90/76/565649076.db2.gz MIPKDYBNVKSBEL-QMMMGPOBSA-N -2 0 381.020 2.510 20 0 GFADRL O=C(N=c1nc(C2CCOCC2)[n-]s1)c1ccc(Br)cc1[O-] ZINC000629102021 565823600 /nfs/dbraw/zinc/82/36/00/565823600.db2.gz OYIWOLRTLFRKMF-UHFFFAOYSA-N -2 0 384.255 2.574 20 0 GFADRL C[C@@H]1CN(C(=O)N=c2nc(-c3cccc(Cl)c3)[n-]s2)CC[C@H]1C(=O)[O-] ZINC000630565536 565910393 /nfs/dbraw/zinc/91/03/93/565910393.db2.gz IPLFHBZWRXBAIA-BXKDBHETSA-N -2 0 380.857 2.855 20 0 GFADRL C[C@@H](NC(=O)N=c1[n-]nc(-c2ccsc2)s1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653536647 565971413 /nfs/dbraw/zinc/97/14/13/565971413.db2.gz CVRHKCYYHYCDLA-DVVUODLYSA-N -2 0 380.495 2.945 20 0 GFADRL CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1CC(=O)[O-] ZINC000817985948 597312934 /nfs/dbraw/zinc/31/29/34/597312934.db2.gz LDSVTZGKTJJKDA-UHFFFAOYSA-N -2 0 377.418 2.936 20 0 GFADRL COC(=O)c1cc2ccccc2cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000737679332 599737740 /nfs/dbraw/zinc/73/77/40/599737740.db2.gz XMCGVXPRHPTZPZ-UHFFFAOYSA-N -2 0 375.358 2.718 20 0 GFADRL C[C@@H]1CCCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000736784978 599738606 /nfs/dbraw/zinc/73/86/06/599738606.db2.gz NSAVWUFRMOXUDA-GFCCVEGCSA-N -2 0 392.433 2.793 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)ccc1NC(=O)c1ccco1 ZINC000738463875 599738959 /nfs/dbraw/zinc/73/89/59/599738959.db2.gz ZBOBGQSFSWCOHH-UHFFFAOYSA-N -2 0 390.373 2.932 20 0 GFADRL Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC000738945324 599801667 /nfs/dbraw/zinc/80/16/67/599801667.db2.gz QZELAAVXMXVQJL-UHFFFAOYSA-N -2 0 394.327 2.732 20 0 GFADRL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2c1CCCC2 ZINC000737717818 599815020 /nfs/dbraw/zinc/81/50/20/599815020.db2.gz OIWUWAPNAXXXLI-UHFFFAOYSA-N -2 0 395.458 2.913 20 0 GFADRL O=C([O-])c1cc2ccccc2cc1NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000739461659 599849869 /nfs/dbraw/zinc/84/98/69/599849869.db2.gz DWBCKTXTWZNCME-UHFFFAOYSA-N -2 0 376.328 2.540 20 0 GFADRL COc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(F)c(C)c2)c(OC)c1OC ZINC000591795913 599885606 /nfs/dbraw/zinc/88/56/06/599885606.db2.gz XIBJKIXWFZMNNN-UHFFFAOYSA-N -2 0 399.396 2.659 20 0 GFADRL Cc1cc(NS(=O)(=O)c2ccc(OCC(=O)[O-])c(Cl)c2)ccc1C(=O)[O-] ZINC000476729661 599925047 /nfs/dbraw/zinc/92/50/47/599925047.db2.gz CBPHUCCYBNJSPI-UHFFFAOYSA-N -2 0 399.808 2.611 20 0 GFADRL COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)c1 ZINC000066290277 599925952 /nfs/dbraw/zinc/92/59/52/599925952.db2.gz SRUKMGJTVGZHMU-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)n(Cc2ccccc2)n1 ZINC000738463865 600055025 /nfs/dbraw/zinc/05/50/25/600055025.db2.gz YOVAFRXPMDTZIQ-UHFFFAOYSA-N -2 0 389.408 2.878 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2nc(C(C)C)cs2)c(C(=O)[O-])s1 ZINC000737682246 600055056 /nfs/dbraw/zinc/05/50/56/600055056.db2.gz XYRVHXJZFDPPKE-UHFFFAOYSA-N -2 0 390.464 2.614 20 0 GFADRL Cc1cc(C(=O)[O-])c2sc([N-]S(=O)(=O)c3c(F)cccc3F)nc2n1 ZINC000738345039 600102289 /nfs/dbraw/zinc/10/22/89/600102289.db2.gz ATRBQWJRHVUZLJ-UHFFFAOYSA-N -2 0 385.373 2.777 20 0 GFADRL CN(C)c1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000737377682 600103088 /nfs/dbraw/zinc/10/30/88/600103088.db2.gz NOWDEONZRZTZNV-UHFFFAOYSA-N -2 0 378.328 2.863 20 0 GFADRL CC[C@H](CC(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000736892235 600130932 /nfs/dbraw/zinc/13/09/32/600130932.db2.gz LIQMBLVGLDHAMG-OAHLLOKOSA-N -2 0 375.446 2.915 20 0 GFADRL O=C([O-])Cn1ccc([N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)n1 ZINC000739919672 600149850 /nfs/dbraw/zinc/14/98/50/600149850.db2.gz JATFKTIFLQMSSJ-UHFFFAOYSA-N -2 0 398.853 2.545 20 0 GFADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc3c(c2)OC2(CCCCC2)O3)c1C(=O)[O-] ZINC000738828181 600231129 /nfs/dbraw/zinc/23/11/29/600231129.db2.gz QDRDFXJRFQIZNI-UHFFFAOYSA-N -2 0 393.421 2.649 20 0 GFADRL O=C([O-])NCc1ccc([N-]S(=O)(=O)c2c(Cl)nc3ccccn32)cc1 ZINC000740001818 600301423 /nfs/dbraw/zinc/30/14/23/600301423.db2.gz RGDVTHUNSAQCEU-UHFFFAOYSA-N -2 0 380.813 2.556 20 0 GFADRL CCN(CC)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cn1 ZINC000737094374 600423337 /nfs/dbraw/zinc/42/33/37/600423337.db2.gz PPOQTUGNQJENRK-UHFFFAOYSA-N -2 0 385.392 2.705 20 0 GFADRL Cn1nc(CC(C)(C)C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000739051157 600424891 /nfs/dbraw/zinc/42/48/91/600424891.db2.gz OLWNPWZQZHFUBC-UHFFFAOYSA-N -2 0 387.408 2.786 20 0 GFADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000739693103 600464652 /nfs/dbraw/zinc/46/46/52/600464652.db2.gz VOAIOGDSNBZZMO-UHFFFAOYSA-N -2 0 387.866 2.993 20 0 GFADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000738291773 600637845 /nfs/dbraw/zinc/63/78/45/600637845.db2.gz YHZUPATVWJFBBX-UHFFFAOYSA-N -2 0 387.772 2.985 20 0 GFADRL CCOC(=O)c1sc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)cc1C ZINC000737157739 600659018 /nfs/dbraw/zinc/65/90/18/600659018.db2.gz XDSBVIXSIWXFMO-UHFFFAOYSA-N -2 0 399.446 2.741 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(-c3n[nH]c(C4CC4)n3)c2)cs1 ZINC000588633520 600679857 /nfs/dbraw/zinc/67/98/57/600679857.db2.gz PUNBWVBSYUQRSA-UHFFFAOYSA-N -2 0 390.446 2.910 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccnn2[C@@H]2CCCc3ccccc32)c[nH]1 ZINC000833306274 600680758 /nfs/dbraw/zinc/68/07/58/600680758.db2.gz LZGNZYVRBZRVTH-MRXNPFEDSA-N -2 0 386.433 2.636 20 0 GFADRL Cc1ccc(N2CCOC2=O)cc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000743268255 600691442 /nfs/dbraw/zinc/69/14/42/600691442.db2.gz IEUSRAKPBHKXND-UHFFFAOYSA-N -2 0 382.419 2.512 20 0 GFADRL Cc1nc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)sc1Cc1ccccc1 ZINC000833002915 600828302 /nfs/dbraw/zinc/82/83/02/600828302.db2.gz IRBBAUAYLJHKAF-UHFFFAOYSA-N -2 0 391.474 2.880 20 0 GFADRL O=C([O-])c1sc2ccccc2c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1O ZINC000833320851 600867980 /nfs/dbraw/zinc/86/79/80/600867980.db2.gz SKTLEGJQPJGIND-UHFFFAOYSA-N -3 0 393.398 2.804 20 0 GFADRL CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000737123132 600889231 /nfs/dbraw/zinc/88/92/31/600889231.db2.gz UUWGZWSSELLLCL-UHFFFAOYSA-N -2 0 382.825 2.589 20 0 GFADRL O=C([O-])C[C@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c2ccccc21 ZINC000363259086 600895261 /nfs/dbraw/zinc/89/52/61/600895261.db2.gz LNMQFPRWMAIPCX-NSHDSACASA-N -2 0 395.820 2.805 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc(OC)c2OC)c(C)c1 ZINC000467324581 600897524 /nfs/dbraw/zinc/89/75/24/600897524.db2.gz ONBXHGVIULOYSE-UHFFFAOYSA-N -2 0 381.406 2.520 20 0 GFADRL Cc1c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccn2)cnn1-c1ccc(Cl)cc1 ZINC000832856686 600983225 /nfs/dbraw/zinc/98/32/25/600983225.db2.gz YMKSZOQOYRRZBK-UHFFFAOYSA-N -2 0 392.824 2.728 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2O)ccc1O ZINC000740088582 601117056 /nfs/dbraw/zinc/11/70/56/601117056.db2.gz ZRXQCJMZHVVXMY-UHFFFAOYSA-N -2 0 377.296 2.616 20 0 GFADRL CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2OC)c1 ZINC000828570776 601202377 /nfs/dbraw/zinc/20/23/77/601202377.db2.gz WOBUTCFOWSXCAW-UHFFFAOYSA-N -2 0 398.462 2.913 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc(Cl)c(C(=O)[O-])c1 ZINC000831945381 601204077 /nfs/dbraw/zinc/20/40/77/601204077.db2.gz FZDJHMCWHINQAG-UHFFFAOYSA-N -3 0 391.810 2.607 20 0 GFADRL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000443367423 601224058 /nfs/dbraw/zinc/22/40/58/601224058.db2.gz VZDLRPDBWPMSFF-UHFFFAOYSA-N -3 0 397.380 2.810 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)cc1C(=O)[O-] ZINC000833030348 601230777 /nfs/dbraw/zinc/23/07/77/601230777.db2.gz TXPYNZPLHYMXMI-RYUDHWBXSA-N -2 0 394.449 2.701 20 0 GFADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)ccc1Br ZINC000832027229 601235096 /nfs/dbraw/zinc/23/50/96/601235096.db2.gz WOARXUIEOORGDN-UHFFFAOYSA-N -2 0 390.211 2.858 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2C(=O)N(C)C)c1C ZINC000032090909 601321640 /nfs/dbraw/zinc/32/16/40/601321640.db2.gz QNYFGXJNPISZMF-UHFFFAOYSA-N -2 0 376.434 2.504 20 0 GFADRL CC(C)Oc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000057122690 601325766 /nfs/dbraw/zinc/32/57/66/601325766.db2.gz RUQZSSCFJJSNOV-UHFFFAOYSA-N -2 0 378.381 2.984 20 0 GFADRL COCCOc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000619533503 601327053 /nfs/dbraw/zinc/32/70/53/601327053.db2.gz LVAFAAOVPFEWDM-UHFFFAOYSA-N -2 0 379.434 2.828 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2nnc3ccccn32)c(Cl)cc1Cl ZINC000833306403 601360413 /nfs/dbraw/zinc/36/04/13/601360413.db2.gz QMKULTXOWDHFLK-UHFFFAOYSA-N -2 0 387.204 2.535 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nc2cc(Cl)ccc2n1C ZINC000832208611 601360596 /nfs/dbraw/zinc/36/05/96/601360596.db2.gz IMEOKXAKZCPHAC-UHFFFAOYSA-N -2 0 395.824 2.734 20 0 GFADRL O=C([O-])c1sc2ccccc2c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(O)c1 ZINC000833320913 601388178 /nfs/dbraw/zinc/38/81/78/601388178.db2.gz ZOCGELWKBNDFIA-UHFFFAOYSA-N -3 0 393.398 2.804 20 0 GFADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ccc(Oc2ccccn2)cc1 ZINC000833346723 601484780 /nfs/dbraw/zinc/48/47/80/601484780.db2.gz UVVMSSCSYCIKCI-UHFFFAOYSA-N -2 0 377.403 2.829 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnn(-c3ccccc3F)c2)ccc1F ZINC000755986320 601491614 /nfs/dbraw/zinc/49/16/14/601491614.db2.gz RGFCVJQUVHFCCB-UHFFFAOYSA-N -2 0 379.344 2.650 20 0 GFADRL CCCCCc1nnc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)s1 ZINC000829373458 601502236 /nfs/dbraw/zinc/50/22/36/601502236.db2.gz XBZOJPKTBNAHOF-UHFFFAOYSA-N -2 0 385.467 2.535 20 0 GFADRL COc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000064478971 601838246 /nfs/dbraw/zinc/83/82/46/601838246.db2.gz QYHNNJSBUMMTFH-UHFFFAOYSA-N -2 0 384.772 2.858 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])n(-c2ccccc2)n1 ZINC000832899340 601847581 /nfs/dbraw/zinc/84/75/81/601847581.db2.gz IHYXXSZJHQGXQX-UHFFFAOYSA-N -2 0 375.381 2.819 20 0 GFADRL Cc1cccc(S(=O)(=O)[N-]c2ccccc2O[C@H]2CCOC2)c1C(=O)[O-] ZINC000832972853 601854393 /nfs/dbraw/zinc/85/43/93/601854393.db2.gz OCZAELRUALYXHF-ZDUSSCGKSA-N -2 0 377.418 2.662 20 0 GFADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1O[C@@H]1CCOC1 ZINC000268309982 601855069 /nfs/dbraw/zinc/85/50/69/601855069.db2.gz JMKAMOCVLQJCGN-CQSZACIVSA-N -2 0 377.418 2.662 20 0 GFADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)c1cncc(-c2ccccc2)c1 ZINC000833148387 601980668 /nfs/dbraw/zinc/98/06/68/601980668.db2.gz IJQAFSKVAQFMKF-UHFFFAOYSA-N -2 0 388.426 2.627 20 0 GFADRL O=C([O-])COc1ccc(NC(=O)C[C@@]2(C(=O)[O-])CCSC2)c2ccccc12 ZINC000833256940 602069291 /nfs/dbraw/zinc/06/92/91/602069291.db2.gz VAEFHAPJAACFDC-IBGZPJMESA-N -2 0 389.429 2.840 20 0 GFADRL C[C@H](CC(=O)[O-])C(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2cccs2)c1 ZINC000827310617 602101960 /nfs/dbraw/zinc/10/19/60/602101960.db2.gz JZUVKJMVKIBGPU-SECBINFHSA-N -2 0 386.426 2.737 20 0 GFADRL O=C([O-])CCCc1nnc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)s1 ZINC000833232365 602105891 /nfs/dbraw/zinc/10/58/91/602105891.db2.gz PHYHIYCIXAVSOE-UHFFFAOYSA-N -2 0 379.822 2.539 20 0 GFADRL Cc1cc(S(=O)(=O)N2CCCc3cc(C(=O)[O-])ccc32)cc(C(=O)[O-])c1C ZINC000551473665 602112616 /nfs/dbraw/zinc/11/26/16/602112616.db2.gz FHHLVBRTVRARSH-UHFFFAOYSA-N -2 0 389.429 2.841 20 0 GFADRL Cc1noc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Br)cc2F)c1C ZINC000833022586 602212766 /nfs/dbraw/zinc/21/27/66/602212766.db2.gz WEJWIBMEGDNDEU-UHFFFAOYSA-N -2 0 393.190 2.692 20 0 GFADRL O=C([O-])NCCOc1cccc(NC(=O)CC2(C(=O)[O-])Cc3ccccc3C2)c1 ZINC000740667909 602282990 /nfs/dbraw/zinc/28/29/90/602282990.db2.gz BAXIPJCKWNUMSK-UHFFFAOYSA-N -2 0 398.415 2.531 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2nnc(-c3ccccc3)s2)cc1C(=O)[O-] ZINC000832468375 602306211 /nfs/dbraw/zinc/30/62/11/602306211.db2.gz AWUHDOAPOWJUDE-UHFFFAOYSA-N -2 0 391.430 2.713 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc2c(c1)CC(C)(C)O2 ZINC000831944980 602309868 /nfs/dbraw/zinc/30/98/68/602309868.db2.gz CVKYUTMWTDPGJI-UHFFFAOYSA-N -2 0 383.447 2.969 20 0 GFADRL Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CN(C(=O)[O-])CC3)cc1C(=O)[O-] ZINC000740147983 602491097 /nfs/dbraw/zinc/49/10/97/602491097.db2.gz RRAZCXBPUPAPAY-UHFFFAOYSA-N -2 0 390.417 2.530 20 0 GFADRL COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(=O)[O-])c1 ZINC000739928970 602645873 /nfs/dbraw/zinc/64/58/73/602645873.db2.gz GSJNGYLIFAXMLV-UHFFFAOYSA-N -2 0 392.433 2.935 20 0 GFADRL C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CC[C@H](NC(=O)[O-])c1ccccc1 ZINC000739057437 602779113 /nfs/dbraw/zinc/77/91/13/602779113.db2.gz IFAIRRUOCKEARN-YOEHRIQHSA-N -2 0 390.461 2.983 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]C(=O)c2cccc(NC(=O)[O-])c2)c(C)c1C ZINC000738061593 603004900 /nfs/dbraw/zinc/00/49/00/603004900.db2.gz BFNUKRNEGRHWPV-UHFFFAOYSA-N -2 0 378.406 2.521 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2cc3c(cc2NC(=O)[O-])OCO3)c(F)cc1F ZINC000830138289 603877705 /nfs/dbraw/zinc/87/77/05/603877705.db2.gz QXJFFORACLILHU-UHFFFAOYSA-N -2 0 386.332 2.893 20 0 GFADRL O=C([O-])N1CCc2c1cccc2NC(=O)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC000831797888 604022223 /nfs/dbraw/zinc/02/22/23/604022223.db2.gz XXWSEVWZRKIGSL-UHFFFAOYSA-N -2 0 382.401 2.917 20 0 GFADRL C[C@H](C(=O)[N-]S(=O)(=O)/C=C\c1ccccc1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823701730 604210352 /nfs/dbraw/zinc/21/03/52/604210352.db2.gz GKDNDXVDFRISJW-CUCQIJPSSA-N -2 0 388.445 2.748 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@H](C)C2CCN(C(=O)[O-])CC2)cc1C ZINC000830414376 604383272 /nfs/dbraw/zinc/38/32/72/604383272.db2.gz JRMCRPWZOBNBIV-AWEZNQCLSA-N -2 0 382.482 2.525 20 0 GFADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc3c(c2)ncn3-c2ccccc2)c1C(=O)[O-] ZINC000832990424 604404618 /nfs/dbraw/zinc/40/46/18/604404618.db2.gz AOYNLPIDFWJWKT-UHFFFAOYSA-N -2 0 397.416 2.556 20 0 GFADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3ccco3)s2)c1 ZINC000833333278 604410758 /nfs/dbraw/zinc/41/07/58/604410758.db2.gz LYPGKEXPXKHZDX-UHFFFAOYSA-N -2 0 377.399 2.825 20 0 GFADRL Cc1cccc(S(=O)(=O)[N-]c2ncc(Br)cc2C)c1C(=O)[O-] ZINC000832859021 604621726 /nfs/dbraw/zinc/62/17/26/604621726.db2.gz UNDWPOAYVFMBBH-UHFFFAOYSA-N -2 0 385.239 2.960 20 0 GFADRL O=C([O-])CCc1csc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)n1 ZINC000833244034 604626137 /nfs/dbraw/zinc/62/61/37/604626137.db2.gz PHOHUADQKBBSHK-UHFFFAOYSA-N -2 0 396.368 2.860 20 0 GFADRL O=C([O-])Cc1cccc(NS(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)c1 ZINC000767740023 604631949 /nfs/dbraw/zinc/63/19/49/604631949.db2.gz VIOKMUZYJYBARY-UHFFFAOYSA-N -2 0 387.772 2.605 20 0 GFADRL CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)cc1 ZINC000756935695 604632906 /nfs/dbraw/zinc/63/29/06/604632906.db2.gz HTFTZMKDQXOFFY-UHFFFAOYSA-N -3 0 399.371 2.826 20 0 GFADRL CC1(C)CC(C)(C)c2cc([N-]S(=O)(=O)c3cnn(CC(=O)[O-])c3)ccc21 ZINC000833556387 604747469 /nfs/dbraw/zinc/74/74/69/604747469.db2.gz VGWLJWVBJXNQFV-UHFFFAOYSA-N -2 0 377.466 2.727 20 0 GFADRL CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2ccc(N(C)C(=O)[O-])cc2)c1C ZINC000829869917 604767532 /nfs/dbraw/zinc/76/75/32/604767532.db2.gz UFXHCIPRQKLHRD-UHFFFAOYSA-N -2 0 395.437 2.723 20 0 GFADRL C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)c2cc(Cl)c3ccccc3c2[O-])CCO1 ZINC000825324959 604773891 /nfs/dbraw/zinc/77/38/91/604773891.db2.gz HMLSLCCXYLTLSY-MEBBXXQBSA-N -2 0 378.812 2.696 20 0 GFADRL CCC(CC)n1ccc(CS(=O)(=O)C=C([O-])c2[nH]c(C)c(C(=O)[O-])c2C)n1 ZINC000828874532 604797999 /nfs/dbraw/zinc/79/79/99/604797999.db2.gz KKFBGJGZYYHTNK-UHFFFAOYSA-N -2 0 395.481 2.685 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)n(C2CCOCC2)n1 ZINC000832898179 604798804 /nfs/dbraw/zinc/79/88/04/604798804.db2.gz FHJONRVIUORLJP-UHFFFAOYSA-N -2 0 399.856 2.695 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1[nH]nc(-c2ccc(C)o2)c1C ZINC000433601175 604808655 /nfs/dbraw/zinc/80/86/55/604808655.db2.gz WPYDMIRWJZOBFX-UHFFFAOYSA-N -2 0 391.405 2.794 20 0 GFADRL O=C([O-])COc1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)cc1Cl ZINC000833259175 604809086 /nfs/dbraw/zinc/80/90/86/604809086.db2.gz LCZXFYHKQOJFEM-UHFFFAOYSA-N -2 0 377.752 2.882 20 0 GFADRL C[C@@H](CSCc1ccccc1)C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000827581539 604816115 /nfs/dbraw/zinc/81/61/15/604816115.db2.gz NGLFGINDWJMSIG-ZDUSSCGKSA-N -2 0 393.486 2.759 20 0 GFADRL COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1OC ZINC000833730967 604859357 /nfs/dbraw/zinc/85/93/57/604859357.db2.gz NEDCDPYEKXJXKV-UHFFFAOYSA-N -2 0 381.406 2.520 20 0 GFADRL Cc1cccc(S(=O)(=O)[N-]c2csnc2C(=O)[O-])c1Br ZINC000832972642 605008554 /nfs/dbraw/zinc/00/85/54/605008554.db2.gz ISOWJKHILCITQI-UHFFFAOYSA-N -2 0 377.241 2.713 20 0 GFADRL O=C([O-])c1nscc1[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000833346186 605009083 /nfs/dbraw/zinc/00/90/83/605009083.db2.gz GIYLYERPWGMDKY-UHFFFAOYSA-N -2 0 381.204 2.544 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2cnn(-c3ccccc3)c2C)cc1C(=O)[O-] ZINC000435131684 605009529 /nfs/dbraw/zinc/00/95/29/605009529.db2.gz DXFPWYXOYAOXNA-UHFFFAOYSA-N -2 0 387.417 2.688 20 0 GFADRL C[C@H](OC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1)C(=O)[O-] ZINC000737710268 605013482 /nfs/dbraw/zinc/01/34/82/605013482.db2.gz AMFDZSFQQVFTEK-JTQLQIEISA-N -2 0 383.809 2.771 20 0 GFADRL C[C@@H](CC(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1)C1CCN(C(=O)[O-])CC1 ZINC000824680259 605079963 /nfs/dbraw/zinc/07/99/63/605079963.db2.gz SRFNBWCFXFFKFA-KBPBESRZSA-N -2 0 382.482 2.610 20 0 GFADRL CC(=O)N(C)c1ccccc1[N-]S(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC000833389124 605124011 /nfs/dbraw/zinc/12/40/11/605124011.db2.gz FUAMTEPWKSTRTR-UHFFFAOYSA-N -2 0 388.445 2.586 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2cccc3c2ccnc3C(=O)[O-])c(OC)c1 ZINC000833733269 605150550 /nfs/dbraw/zinc/15/05/50/605150550.db2.gz KOWITKJBXLCNNJ-UHFFFAOYSA-N -2 0 388.401 2.751 20 0 GFADRL CC(C)(C)[S@@](=O)Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)c1 ZINC000833447756 605187087 /nfs/dbraw/zinc/18/70/87/605187087.db2.gz UZVZEFIQDIKEQS-DEOSSOPVSA-N -2 0 385.463 2.826 20 0 GFADRL Cc1cnn(-c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2c[nH]c(C(C)C)n2)c1 ZINC000833754148 605190763 /nfs/dbraw/zinc/19/07/63/605190763.db2.gz JFMGSIGFEWYPIF-UHFFFAOYSA-N -2 0 389.437 2.526 20 0 GFADRL CCOc1ccc(C[C@H](CNC(=O)c2cccc(NC(=O)[O-])c2)C(=O)[O-])cc1 ZINC000833664286 605198084 /nfs/dbraw/zinc/19/80/84/605198084.db2.gz PBCJBFISMFVMQW-OAHLLOKOSA-N -2 0 386.404 2.849 20 0 GFADRL Cc1sc([N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)c(C(=O)[O-])c1C ZINC000833757933 605303205 /nfs/dbraw/zinc/30/32/05/605303205.db2.gz DTTBNHHDKHHOAZ-UHFFFAOYSA-N -2 0 398.437 2.888 20 0 GFADRL COc1cc([N-]S(=O)(=O)c2csnc2C(=O)[O-])cc(OC)c1C(C)C ZINC000833729718 605420646 /nfs/dbraw/zinc/42/06/46/605420646.db2.gz MIBJRYLOTFJFMI-UHFFFAOYSA-N -2 0 386.451 2.783 20 0 GFADRL O=C([O-])NCc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2)c1 ZINC000834247755 605944397 /nfs/dbraw/zinc/94/43/97/605944397.db2.gz WEJDAIJHGNLPLR-UHFFFAOYSA-N -2 0 375.328 2.669 20 0 GFADRL O=C([O-])N(CC(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccccc1)C1CC1 ZINC000834003949 605982372 /nfs/dbraw/zinc/98/23/72/605982372.db2.gz UHCWIMKKYIKHMX-UHFFFAOYSA-N -2 0 389.433 2.568 20 0 GFADRL O=C([O-])CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(CNC(=O)[O-])cc1 ZINC000834065688 606047482 /nfs/dbraw/zinc/04/74/82/606047482.db2.gz OYHLEGFTPSSMBG-UHFFFAOYSA-N -2 0 376.796 2.835 20 0 GFADRL O=C([O-])Nc1cnc(C(=O)Nc2cc(Cl)cc(Br)c2[O-])cn1 ZINC000834278337 606064208 /nfs/dbraw/zinc/06/42/08/606064208.db2.gz ZONVYCOZGXHHFH-UHFFFAOYSA-N -2 0 387.577 2.940 20 0 GFADRL O=C([O-])COc1ccc(NC(=O)[C@@H](CNC(=O)[O-])c2ccccc2)cc1Cl ZINC000834065650 606069919 /nfs/dbraw/zinc/06/99/19/606069919.db2.gz OEQFIDKQRRMYCW-ZDUSSCGKSA-N -2 0 392.795 2.793 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)N(C)C)ccc2C)sc1C(=O)[O-] ZINC000042793276 654644815 /nfs/dbraw/zinc/64/48/15/654644815.db2.gz OSQVEJKCLUSRKB-UHFFFAOYSA-N -2 0 382.463 2.566 20 0 GFADRL COC(=O)c1csc(S(=O)(=O)[N-]c2ccccc2CCCC(=O)[O-])c1 ZINC000281876273 655339794 /nfs/dbraw/zinc/33/97/94/655339794.db2.gz NVBLBUQIXQFRRX-UHFFFAOYSA-N -2 0 383.447 2.743 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)NCc2ccc(Cl)cc2F)c(F)cc1F ZINC000187000121 655372431 /nfs/dbraw/zinc/37/24/31/655372431.db2.gz QATYGFZCNLKUON-UHFFFAOYSA-N -2 0 379.743 2.934 20 0 GFADRL CNC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)cc1Cl ZINC000517924637 655419196 /nfs/dbraw/zinc/41/91/96/655419196.db2.gz BBABROWKSNTPOL-UHFFFAOYSA-N -2 0 388.854 2.569 20 0 GFADRL C[C@H]1CCN(C(=O)N=c2nc(-c3cccc(Cl)c3)[n-]s2)C[C@@H]1C(=O)[O-] ZINC000566068973 655424706 /nfs/dbraw/zinc/42/47/06/655424706.db2.gz NJZRHIOZOJLILJ-CABZTGNLSA-N -2 0 380.857 2.855 20 0 GFADRL Cc1nc(-c2ccccc2[N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)no1 ZINC000729666653 655566525 /nfs/dbraw/zinc/56/65/25/655566525.db2.gz YCTPJIRJRAIXAC-UHFFFAOYSA-N -2 0 379.419 2.914 20 0 GFADRL O=C([O-])c1cc(F)c(F)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000756935472 655907108 /nfs/dbraw/zinc/90/71/08/655907108.db2.gz CYSQOMIGMRKTNJ-UHFFFAOYSA-N -3 0 391.735 2.815 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccnc2OCC(F)F)ccc1Cl ZINC000765657135 656147024 /nfs/dbraw/zinc/14/70/24/656147024.db2.gz GDANMKQUFOSHOW-UHFFFAOYSA-N -2 0 392.767 2.878 20 0 GFADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cccnc2OCC(F)F)c1 ZINC000765658250 656147088 /nfs/dbraw/zinc/14/70/88/656147088.db2.gz JEKDDXYORJZEOK-UHFFFAOYSA-N -2 0 392.767 2.878 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnn(C(F)F)c2)ccc1Br ZINC000766374503 656169921 /nfs/dbraw/zinc/16/99/21/656169921.db2.gz DVJRFZVDKRVHEQ-UHFFFAOYSA-N -2 0 396.169 2.540 20 0 GFADRL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-]c2ccccc2O)s1 ZINC000769620994 656282711 /nfs/dbraw/zinc/28/27/11/656282711.db2.gz JNTDYFQATXCALV-UHFFFAOYSA-N -2 0 378.225 2.715 20 0 GFADRL O=C([O-])c1cc(F)c(F)c(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2O)c1 ZINC000769887965 656297364 /nfs/dbraw/zinc/29/73/64/656297364.db2.gz LPADXDAWYHUZSW-UHFFFAOYSA-N -2 0 381.715 2.962 20 0 GFADRL CC(C)(C)C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000776587538 656763883 /nfs/dbraw/zinc/76/38/83/656763883.db2.gz JXHHONDENGZOIK-ZCFIWIBFSA-N -2 0 389.342 2.940 20 0 GFADRL CC(C)(C)CC[C@@H]([N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)[O-] ZINC000776618408 656769091 /nfs/dbraw/zinc/76/90/91/656769091.db2.gz ZWPYQVZWMXQTGO-ZCFIWIBFSA-N -2 0 389.342 2.940 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)c(Cl)c2F)c[nH]c1=O ZINC000779837390 656948009 /nfs/dbraw/zinc/94/80/09/656948009.db2.gz OEPRELCXONILSQ-UHFFFAOYSA-N -2 0 378.740 2.526 20 0 GFADRL CO[C@H]1Cc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3Cl)cc2C1 ZINC000783863092 657265990 /nfs/dbraw/zinc/26/59/90/657265990.db2.gz OTYCJFKJUDACJT-AWEZNQCLSA-N -2 0 381.837 2.953 20 0 GFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2sc(C)nc2C)cc1C(=O)[O-] ZINC000790394242 657968097 /nfs/dbraw/zinc/96/80/97/657968097.db2.gz OCXGKZYFYULFJN-UHFFFAOYSA-N -2 0 376.843 2.921 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(OC)cc2Cl)c(O)c1 ZINC000790401950 657969023 /nfs/dbraw/zinc/96/90/23/657969023.db2.gz DPKINCNFSXRKFN-UHFFFAOYSA-N -2 0 387.797 2.562 20 0 GFADRL O=S(=O)(C[C@@H]1CCCOC1)[N-]c1cc(Cl)cc(Br)c1[O-] ZINC000795332655 658806901 /nfs/dbraw/zinc/80/69/01/658806901.db2.gz MWXVKPAZSVAPLE-MRVPVSSYSA-N -2 0 384.679 2.976 20 0 GFADRL O=C([O-])Cc1ccc([N-]S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)cc1 ZINC000800830756 659333376 /nfs/dbraw/zinc/33/33/76/659333376.db2.gz HKFVCTIJIBPKAI-UHFFFAOYSA-N -2 0 379.821 2.897 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2cccc3[nH]c(=O)oc32)cc(C(=O)[O-])c1Cl ZINC000811706441 660014474 /nfs/dbraw/zinc/01/44/74/660014474.db2.gz DWINPBNAFVQLOW-UHFFFAOYSA-N -2 0 382.781 2.994 20 0 GFADRL O=C([O-])CC[C@@H](C[N-]S(=O)(=O)c1c(Cl)ccnc1Cl)C(F)(F)F ZINC000853071461 661880922 /nfs/dbraw/zinc/88/09/22/661880922.db2.gz KZIBOGSULCESNY-LURJTMIESA-N -2 0 395.186 2.710 20 0 GFADRL CC(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000863958416 662351207 /nfs/dbraw/zinc/35/12/07/662351207.db2.gz XVFJAJASFLUONP-JTQLQIEISA-N -2 0 387.763 2.521 20 0 GFADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2ccc(SC(F)(F)F)cc2)C1 ZINC000910190309 664198576 /nfs/dbraw/zinc/19/85/76/664198576.db2.gz WEKQVALYHLOAQD-ONGXEEELSA-N -2 0 377.340 2.689 20 0 GFADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cccc2c1COC2=O ZINC000918726630 664503505 /nfs/dbraw/zinc/50/35/05/664503505.db2.gz KFMLZIMKJQSDCU-UHFFFAOYSA-N -2 0 379.415 2.578 20 0 GFADRL COc1ccc(Br)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000055688633 551174770 /nfs/dbraw/zinc/17/47/70/551174770.db2.gz UREWPIBMZQPHOS-UHFFFAOYSA-N -2 0 386.223 2.957 20 0 GFADRL CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(Br)cc1O ZINC000126008980 551325537 /nfs/dbraw/zinc/32/55/37/551325537.db2.gz USSDLKUYFAXHQW-UHFFFAOYSA-N -2 0 385.239 2.779 20 0 GFADRL CCCS(=O)(=O)[N-]c1ccccc1C(=O)NCc1ccc(C(=O)[O-])s1 ZINC000263224739 553184658 /nfs/dbraw/zinc/18/46/58/553184658.db2.gz PTGKOUCCTYDUQF-UHFFFAOYSA-N -2 0 382.463 2.528 20 0 GFADRL CC(C)CNC(=O)c1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1 ZINC000298871949 563369780 /nfs/dbraw/zinc/36/97/80/563369780.db2.gz UTZJUTSMYUFTOU-UHFFFAOYSA-N -2 0 382.463 2.633 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2ccn(CCC(F)(F)F)n2)cc1C(=O)[O-] ZINC000424086774 563369916 /nfs/dbraw/zinc/36/99/16/563369916.db2.gz QMDLPRZTQLQFFS-UHFFFAOYSA-N -2 0 377.344 2.643 20 0 GFADRL COc1cc(Br)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)c1 ZINC000317344890 563442238 /nfs/dbraw/zinc/44/22/38/563442238.db2.gz GRMAOXNZZBSIQO-UHFFFAOYSA-N -2 0 390.211 2.858 20 0 GFADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)ccc1-n1cncn1 ZINC000327429829 563457742 /nfs/dbraw/zinc/45/77/42/563457742.db2.gz OGATUKDJIBXXFP-UHFFFAOYSA-N -2 0 398.853 2.790 20 0 GFADRL CC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1 ZINC000327715880 563459137 /nfs/dbraw/zinc/45/91/37/563459137.db2.gz JLFVMNOTUAYZKT-UHFFFAOYSA-N -2 0 382.463 2.775 20 0 GFADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000443378825 563803399 /nfs/dbraw/zinc/80/33/99/563803399.db2.gz WJOVKEHWCPTADG-UHFFFAOYSA-N -3 0 385.419 2.734 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3c2OCC[C@@H]3O)ccc1Cl ZINC000367139664 563832181 /nfs/dbraw/zinc/83/21/81/563832181.db2.gz ZVGRMPVJOFANRM-AWEZNQCLSA-N -2 0 383.809 2.655 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3c2OCC[C@H]3O)ccc1Cl ZINC000367139665 563832257 /nfs/dbraw/zinc/83/22/57/563832257.db2.gz ZVGRMPVJOFANRM-CQSZACIVSA-N -2 0 383.809 2.655 20 0 GFADRL COCCn1ccc2ccc([N-]S(=O)(=O)c3csc(C(=O)[O-])c3)cc21 ZINC000539941712 564233656 /nfs/dbraw/zinc/23/36/56/564233656.db2.gz VZVGZVRMLNIHBB-UHFFFAOYSA-N -2 0 380.447 2.848 20 0 GFADRL C[C@H](Sc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1)C(=O)[O-] ZINC000507617041 564234129 /nfs/dbraw/zinc/23/41/29/564234129.db2.gz NGXHEKBBORWQJJ-QMMMGPOBSA-N -3 0 387.460 2.812 20 0 GFADRL CC(C)Oc1ncc(Cl)cc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000451094947 564274287 /nfs/dbraw/zinc/27/42/87/564274287.db2.gz JLDJIQUAPHSNNH-UHFFFAOYSA-N -2 0 384.841 2.950 20 0 GFADRL CCOc1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c(C(F)(F)F)c1 ZINC000509613748 564305477 /nfs/dbraw/zinc/30/54/77/564305477.db2.gz OOCZKXJKNOIMNW-UHFFFAOYSA-N -2 0 378.328 2.931 20 0 GFADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)c(Cl)c1 ZINC000547244377 564481304 /nfs/dbraw/zinc/48/13/04/564481304.db2.gz OGCXODHJEJTDSI-UHFFFAOYSA-N -2 0 383.809 2.555 20 0 GFADRL COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(F)cc1C(=O)[O-] ZINC000548198905 564536077 /nfs/dbraw/zinc/53/60/77/564536077.db2.gz ACKJLVLAAMZENR-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000548268510 564546613 /nfs/dbraw/zinc/54/66/13/564546613.db2.gz DMFCCXPDWMVOKR-UHFFFAOYSA-N -2 0 385.239 2.906 20 0 GFADRL C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2cc(Cl)cc(Br)c2[O-])C1 ZINC000571680368 564561973 /nfs/dbraw/zinc/56/19/73/564561973.db2.gz VIQTWYDXEWARGA-JGVFFNPUSA-N -2 0 376.634 2.991 20 0 GFADRL CCCc1nc(C)c([N-]S(=O)(=O)c2ccc(OC)c(CC(=O)[O-])c2)s1 ZINC000486119909 564640320 /nfs/dbraw/zinc/64/03/20/564640320.db2.gz XDMZYWAPSVXVTC-UHFFFAOYSA-N -2 0 384.479 2.841 20 0 GFADRL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2O)cc1Cl ZINC000525370379 564699331 /nfs/dbraw/zinc/69/93/31/564699331.db2.gz RRGVRVCYGZGUFT-UHFFFAOYSA-N -2 0 392.216 2.963 20 0 GFADRL COc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2O)cc(C(=O)[O-])c1OC ZINC000525372087 564699465 /nfs/dbraw/zinc/69/94/65/564699465.db2.gz LVXAJNISRRFHIU-UHFFFAOYSA-N -2 0 387.797 2.562 20 0 GFADRL COC(=O)c1sccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000499524755 564929897 /nfs/dbraw/zinc/92/98/97/564929897.db2.gz GDVUCMIZPHRFHF-UHFFFAOYSA-N -2 0 375.811 2.687 20 0 GFADRL O=C([O-])c1ccc(CNC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)o1 ZINC000562877052 565046363 /nfs/dbraw/zinc/04/63/63/565046363.db2.gz JRJXSFVFDBBRME-UHFFFAOYSA-N -2 0 391.177 2.512 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2c(C)c(Cl)ccc2C(=O)[O-])c(C)o1 ZINC000614325861 565107718 /nfs/dbraw/zinc/10/77/18/565107718.db2.gz NRERLNUDHJBYEE-UHFFFAOYSA-N -2 0 387.797 2.835 20 0 GFADRL CCN(Cc1cccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1)C(C)=O ZINC000614790198 565133189 /nfs/dbraw/zinc/13/31/89/565133189.db2.gz BWSCYFRFZMCLOG-UHFFFAOYSA-N -2 0 382.463 2.616 20 0 GFADRL CC(=O)Nc1cc(F)c(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000591682150 565236428 /nfs/dbraw/zinc/23/64/28/565236428.db2.gz AWYCBLPDRWQAEZ-UHFFFAOYSA-N -2 0 390.389 2.792 20 0 GFADRL Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Br)c2)c1O ZINC000674755264 565882096 /nfs/dbraw/zinc/88/20/96/565882096.db2.gz UVPNMQRPDOWMGR-UHFFFAOYSA-N -2 0 386.223 2.962 20 0 GFADRL COc1ccccc1-c1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)n[nH]1 ZINC000674755114 565883035 /nfs/dbraw/zinc/88/30/35/565883035.db2.gz RISMGWGJKFNFBO-UHFFFAOYSA-N -2 0 379.419 2.646 20 0 GFADRL O=C([O-])CCCCC(=O)Nc1cccc(S(=O)(=O)[N-]c2nccs2)c1 ZINC000655549758 566066351 /nfs/dbraw/zinc/06/63/51/566066351.db2.gz DLMGKNYJBUVJFM-UHFFFAOYSA-N -2 0 383.451 2.527 20 0 GFADRL Cc1ccc([C@H]([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)C(F)(F)F)o1 ZINC000656180513 566111664 /nfs/dbraw/zinc/11/16/64/566111664.db2.gz INLCNQIVSSMSFH-AWEZNQCLSA-N -2 0 377.340 2.797 20 0 GFADRL C/C(=C\C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)c1ccccc1Cl ZINC000736120778 599729572 /nfs/dbraw/zinc/72/95/72/599729572.db2.gz KWUBMKLDLVREHU-PKNBQFBNSA-N -2 0 379.821 2.947 20 0 GFADRL Cn1ccnc1Sc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000739047854 599736127 /nfs/dbraw/zinc/73/61/27/599736127.db2.gz HUVSRSVILJAYSA-UHFFFAOYSA-N -2 0 379.419 2.663 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2OCC(F)(F)F)o1 ZINC000740177638 599736745 /nfs/dbraw/zinc/73/67/45/599736745.db2.gz OWUOEOADPZRISO-UHFFFAOYSA-N -2 0 383.275 2.859 20 0 GFADRL Cc1cc(C(=O)NC2CCCC2)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000738330941 599738944 /nfs/dbraw/zinc/73/89/44/599738944.db2.gz BRCAOUPBVQMEQU-UHFFFAOYSA-N -2 0 392.433 2.759 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2OC[C@@H]2CCCO2)cc1 ZINC000502906452 599739367 /nfs/dbraw/zinc/73/93/67/599739367.db2.gz HNJWKDIFXXFGJR-AWEZNQCLSA-N -2 0 395.408 2.883 20 0 GFADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cc(F)ccc2OC[C@H]2CCCO2)c1 ZINC000502865511 599739575 /nfs/dbraw/zinc/73/95/75/599739575.db2.gz ZNJCBWXHCOXJHT-CQSZACIVSA-N -2 0 395.408 2.883 20 0 GFADRL O=C([O-])C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)[O-])c2)c2ccccc2S1 ZINC000739648638 599753360 /nfs/dbraw/zinc/75/33/60/599753360.db2.gz RUIBOEMUANTVIX-LBPRGKRZSA-N -2 0 393.442 2.529 20 0 GFADRL O=C([O-])CCc1ccc(NC(=O)CCn2c(=O)c3ccccc3[n-]c2=S)cc1 ZINC000739755977 599769325 /nfs/dbraw/zinc/76/93/25/599769325.db2.gz IIJVZJJCSUWGHP-UHFFFAOYSA-N -2 0 397.456 2.731 20 0 GFADRL Cc1cnn(Cc2cc(F)ccc2F)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000738813628 599802317 /nfs/dbraw/zinc/80/23/17/599802317.db2.gz BXPZMVCTDREGTH-UHFFFAOYSA-N -2 0 397.359 2.610 20 0 GFADRL CCCc1ccc([N-]S(=O)(=O)c2cc(C(=O)OC)sc2C(=O)[O-])cc1 ZINC000737050370 599812936 /nfs/dbraw/zinc/81/29/36/599812936.db2.gz IFFNWUHJARDJPO-UHFFFAOYSA-N -2 0 383.447 2.986 20 0 GFADRL COC(=O)c1c(F)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000729664238 599852010 /nfs/dbraw/zinc/85/20/10/599852010.db2.gz FSGBCJJHZSBANR-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL Cc1cc(C)c(S(=O)(=O)Nc2ccc(CCC(=O)[O-])cc2)cc1C(=O)[O-] ZINC000738226155 599853321 /nfs/dbraw/zinc/85/33/21/599853321.db2.gz KXSHOFYGUWMESZ-UHFFFAOYSA-N -2 0 377.418 2.820 20 0 GFADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccccc1C(=O)N1CCCC1 ZINC000268602198 599904707 /nfs/dbraw/zinc/90/47/07/599904707.db2.gz IRRBRPIHIBUUGC-UHFFFAOYSA-N -2 0 388.445 2.730 20 0 GFADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NC(C)C)c(C)c2)c1C(=O)[O-] ZINC000738461434 599908810 /nfs/dbraw/zinc/90/88/10/599908810.db2.gz CAELBMYBTYESFU-UHFFFAOYSA-N -2 0 394.449 2.842 20 0 GFADRL COC(=O)c1sc(S(=O)(=O)[N-]c2ccc(F)c(C)c2)c(C(=O)[O-])c1C ZINC000737721555 599925960 /nfs/dbraw/zinc/92/59/60/599925960.db2.gz ZPVCERLSAPQXTB-UHFFFAOYSA-N -2 0 387.410 2.790 20 0 GFADRL COc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(CSCC(=O)[O-])c2)c1 ZINC000738047190 599926566 /nfs/dbraw/zinc/92/65/66/599926566.db2.gz DCMSRGPJFAJXEO-UHFFFAOYSA-N -2 0 397.474 2.822 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2cccc3[nH]ccc32)c(C(=O)[O-])s1 ZINC000737681854 599926618 /nfs/dbraw/zinc/92/66/18/599926618.db2.gz VRGVIXIBRYBCTK-UHFFFAOYSA-N -2 0 380.403 2.515 20 0 GFADRL O=C([O-])CSCc1cccc([N-]S(=O)(=O)c2c[nH]c3ncccc23)c1 ZINC000739874658 599927087 /nfs/dbraw/zinc/92/70/87/599927087.db2.gz VINFQLWGKAOVET-UHFFFAOYSA-N -2 0 377.447 2.682 20 0 GFADRL C/C(=C\C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1)C1CC1 ZINC000736122398 600043917 /nfs/dbraw/zinc/04/39/17/600043917.db2.gz ZZDNYXONGAQFTB-XBXARRHUSA-N -2 0 377.340 2.565 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])ccc1C(N)=O ZINC000738461494 600052989 /nfs/dbraw/zinc/05/29/89/600052989.db2.gz FMJGEBBSQWGGJU-UHFFFAOYSA-N -2 0 390.442 2.808 20 0 GFADRL NC(=O)c1ccc([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])cc1F ZINC000739181194 600053332 /nfs/dbraw/zinc/05/33/32/600053332.db2.gz WKRDLLUVJRHEPP-UHFFFAOYSA-N -2 0 394.405 2.638 20 0 GFADRL COCCOc1ccc(F)cc1[N-]S(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC000737829616 600099531 /nfs/dbraw/zinc/09/95/31/600099531.db2.gz SFAGGZOWTJAJMJ-UHFFFAOYSA-N -2 0 383.397 2.658 20 0 GFADRL Cc1cnc2c(cccc2S(=O)(=O)[N-]C(=O)CCc2ccc(C(=O)[O-])cc2)c1 ZINC000738802724 600099761 /nfs/dbraw/zinc/09/97/61/600099761.db2.gz ORQFUQUIXOZIFL-UHFFFAOYSA-N -2 0 398.440 2.679 20 0 GFADRL O=C([O-])c1ccc(CCC(=O)[N-]S(=O)(=O)C2=Cc3ccccc3CC2)cc1 ZINC000739256559 600101009 /nfs/dbraw/zinc/10/10/09/600101009.db2.gz ZHRNOWFSWNGSJU-UHFFFAOYSA-N -2 0 385.441 2.751 20 0 GFADRL Cc1[nH]nc(S(=O)(=O)[N-]c2cccc(C3SCCS3)c2)c1C(=O)[O-] ZINC000738827686 600231067 /nfs/dbraw/zinc/23/10/67/600231067.db2.gz MWVYCOAWADQUPE-UHFFFAOYSA-N -2 0 385.492 2.696 20 0 GFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cc1Cl ZINC000740090174 600234364 /nfs/dbraw/zinc/23/43/64/600234364.db2.gz WEKWWTOQVQDETM-UHFFFAOYSA-N -3 0 391.735 2.815 20 0 GFADRL CN(Cc1ccc(NC(=O)c2cc(F)ccc2[N-]S(C)(=O)=O)cc1)C(=O)[O-] ZINC000737485239 600305874 /nfs/dbraw/zinc/30/58/74/600305874.db2.gz DMDRVYLDICRDOM-UHFFFAOYSA-N -2 0 395.412 2.559 20 0 GFADRL C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC000736723589 600352576 /nfs/dbraw/zinc/35/25/76/600352576.db2.gz HLPCPOAWNGLFSB-ZDUSSCGKSA-N -2 0 386.429 2.547 20 0 GFADRL Cc1cc(OC(F)F)c(C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])s1 ZINC000738465114 600459385 /nfs/dbraw/zinc/45/93/85/600459385.db2.gz NOTVYQVFGOFIBX-UHFFFAOYSA-N -2 0 397.402 2.536 20 0 GFADRL COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(Cl)c1 ZINC000146191882 600482932 /nfs/dbraw/zinc/48/29/32/600482932.db2.gz FRWIQRWLJHEQFL-UHFFFAOYSA-N -2 0 398.824 2.806 20 0 GFADRL O=C([O-])CCCOc1ccc(NC(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)cc1 ZINC000739686782 600506355 /nfs/dbraw/zinc/50/63/55/600506355.db2.gz UIKBOLOADZGACU-UHFFFAOYSA-N -2 0 383.360 2.526 20 0 GFADRL O=C([O-])c1ccc(CNC(=O)c2nn(-c3ccccc3C(F)(F)F)cc2[O-])o1 ZINC000740130862 600536325 /nfs/dbraw/zinc/53/63/25/600536325.db2.gz WZTIMCQAXGASKI-UHFFFAOYSA-N -2 0 395.293 2.818 20 0 GFADRL CC(=O)N1CCCc2ccc(S(=O)(=O)[N-]c3ccsc3C(=O)[O-])cc21 ZINC000736134758 600633928 /nfs/dbraw/zinc/63/39/28/600633928.db2.gz OTLPPYJFAGFQMZ-UHFFFAOYSA-N -2 0 380.447 2.546 20 0 GFADRL COC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000320903690 600670861 /nfs/dbraw/zinc/67/08/61/600670861.db2.gz VRGKZTZKFHJPQO-UHFFFAOYSA-N -2 0 375.811 2.687 20 0 GFADRL COc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2Cl)cc1C(=O)[O-] ZINC000738064009 600679229 /nfs/dbraw/zinc/67/92/29/600679229.db2.gz ONNUHIYTAXZCNY-UHFFFAOYSA-N -2 0 385.781 2.546 20 0 GFADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2cc(F)ccc2Oc2ccccc2)cn1 ZINC000833274874 600680762 /nfs/dbraw/zinc/68/07/62/600680762.db2.gz LMDNMWWTAMZQRG-UHFFFAOYSA-N -2 0 391.380 2.700 20 0 GFADRL COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)cc2Cl)ccc1C(=O)[O-] ZINC000831327001 600688045 /nfs/dbraw/zinc/68/80/45/600688045.db2.gz FSDVHUFLOGGUIJ-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000547557252 600688667 /nfs/dbraw/zinc/68/86/67/600688667.db2.gz LFVNCLCIWIKHIE-OAHLLOKOSA-N -2 0 398.362 2.559 20 0 GFADRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000505128986 600814023 /nfs/dbraw/zinc/81/40/23/600814023.db2.gz MWIHMGLWBZZHOY-UHFFFAOYSA-N -3 0 399.808 2.854 20 0 GFADRL O=C([O-])c1cc(Cl)cc(S(=O)(=O)Nc2cc(F)c(F)cc2C(=O)[O-])c1 ZINC000740075295 600892564 /nfs/dbraw/zinc/89/25/64/600892564.db2.gz IMDKMAHYSWKRJQ-UHFFFAOYSA-N -2 0 391.735 2.815 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc(OC)c2OC)c(C)c1C ZINC000484979646 600899628 /nfs/dbraw/zinc/89/96/28/600899628.db2.gz VUFDLNXVWRFUNF-UHFFFAOYSA-N -2 0 395.433 2.828 20 0 GFADRL Cc1ccc(-n2[n-]c(C(=O)Nc3ccc(CN(C)C(=O)[O-])cc3)cc2=O)cc1 ZINC000832909354 600958054 /nfs/dbraw/zinc/95/80/54/600958054.db2.gz BMLLBQOYQMVERO-UHFFFAOYSA-N -2 0 380.404 2.836 20 0 GFADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2nc3c(ccc4ccccc34)s2)cn1 ZINC000833273718 600975196 /nfs/dbraw/zinc/97/51/96/600975196.db2.gz FGANDMRDBFRODL-UHFFFAOYSA-N -2 0 388.430 2.531 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2cnn(-c3ccccc3F)c2)sc1C(=O)[O-] ZINC000738464000 601046381 /nfs/dbraw/zinc/04/63/81/601046381.db2.gz SPMRZCVCGMVDBD-UHFFFAOYSA-N -2 0 381.410 2.880 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc(-c2cnco2)cc1 ZINC000831946293 601203019 /nfs/dbraw/zinc/20/30/19/601203019.db2.gz SGPKOAAEGHGUOX-UHFFFAOYSA-N -2 0 380.403 2.911 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc(OCC(C)C)nc1 ZINC000831946782 601204171 /nfs/dbraw/zinc/20/41/71/601204171.db2.gz YMVWODAKMMGKJZ-UHFFFAOYSA-N -2 0 386.451 2.686 20 0 GFADRL COc1cc(S(=O)(=O)[N-]c2ccsc2C(=O)[O-])c(Cl)cc1C(=O)[O-] ZINC000832098141 601224449 /nfs/dbraw/zinc/22/44/49/601224449.db2.gz VITRCTSYIRBSIW-UHFFFAOYSA-N -3 0 391.810 2.607 20 0 GFADRL Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000832924509 601235911 /nfs/dbraw/zinc/23/59/11/601235911.db2.gz QFAFJLLMWPPITF-UONOGXRCSA-N -2 0 381.494 2.988 20 0 GFADRL COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)[N-]c2c(C)cccc2O)c1OC ZINC000831972845 601251869 /nfs/dbraw/zinc/25/18/69/601251869.db2.gz SKCSHWDJKWUKGZ-BQYQJAHWSA-N -2 0 393.417 2.616 20 0 GFADRL CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)cc1 ZINC000042793673 601322654 /nfs/dbraw/zinc/32/26/54/601322654.db2.gz CEELHKXWGVNWPN-UHFFFAOYSA-N -2 0 394.405 2.763 20 0 GFADRL COc1ncc(C)cc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000832654733 601333894 /nfs/dbraw/zinc/33/38/94/601333894.db2.gz VNBVAGCMYAJOCO-UHFFFAOYSA-N -2 0 390.339 2.916 20 0 GFADRL CC(C)CNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000013059545 601356942 /nfs/dbraw/zinc/35/69/42/601356942.db2.gz IZCROBROUSJSPO-UHFFFAOYSA-N -2 0 376.434 2.571 20 0 GFADRL O=C([O-])c1nc(Cl)ccc1S(=O)(=O)[N-]c1cccc(NC(=O)C2CC2)c1 ZINC000833344693 601384228 /nfs/dbraw/zinc/38/42/28/601384228.db2.gz FWXARIPRRWNNAP-UHFFFAOYSA-N -2 0 395.824 2.583 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ncn(Cc3ccc(Cl)cc3)n2)s1 ZINC000833323889 601473442 /nfs/dbraw/zinc/47/34/42/601473442.db2.gz AAMPFNSSRYBRAG-UHFFFAOYSA-N -2 0 398.853 2.540 20 0 GFADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccc(OCC(F)F)cc2)c1 ZINC000748647394 601475819 /nfs/dbraw/zinc/47/58/19/601475819.db2.gz KSBYPUSVQYJQCW-UHFFFAOYSA-N -2 0 375.324 2.969 20 0 GFADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)c1ccc2ccc(Cl)cc2n1 ZINC000833149013 601499462 /nfs/dbraw/zinc/49/94/62/601499462.db2.gz WFBDRAZVGHHCMA-UHFFFAOYSA-N -2 0 396.833 2.767 20 0 GFADRL CCC(CC)c1nnc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)s1 ZINC000828870290 601501884 /nfs/dbraw/zinc/50/18/84/601501884.db2.gz MSCBLDPXXRRHMR-UHFFFAOYSA-N -2 0 385.467 2.949 20 0 GFADRL COc1ccccc1-c1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)n[nH]1 ZINC000671660373 601604080 /nfs/dbraw/zinc/60/40/80/601604080.db2.gz ZYOTWXDIYRWBII-UHFFFAOYSA-N -2 0 387.417 2.893 20 0 GFADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ncc(Cc2ccc(F)cc2)s1 ZINC000833346993 601767774 /nfs/dbraw/zinc/76/77/74/601767774.db2.gz ZAQZBEFQJYHXOH-UHFFFAOYSA-N -2 0 399.450 2.829 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccn2)c(Br)c1 ZINC000236465000 601768966 /nfs/dbraw/zinc/76/89/66/601768966.db2.gz RMFTZXKGBZISGY-UHFFFAOYSA-N -2 0 391.630 2.997 20 0 GFADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1c(-c2ccco2)nc2ccccn21 ZINC000833345834 601770375 /nfs/dbraw/zinc/77/03/75/601770375.db2.gz ZLPDWUXNPRREOL-UHFFFAOYSA-N -2 0 390.402 2.550 20 0 GFADRL CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000032630038 601827151 /nfs/dbraw/zinc/82/71/51/601827151.db2.gz PANCLQGWIXQFBL-UHFFFAOYSA-N -2 0 382.825 2.589 20 0 GFADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1cccc(OCc2cccnc2)c1 ZINC000833346319 601836154 /nfs/dbraw/zinc/83/61/54/601836154.db2.gz NJODRGDKWRBWPR-UHFFFAOYSA-N -2 0 391.430 2.616 20 0 GFADRL CCOc1ccc(OC)cc1[N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC000830088594 601840841 /nfs/dbraw/zinc/84/08/41/601840841.db2.gz AWTCEMCZIKXLGZ-UHFFFAOYSA-N -2 0 386.813 2.641 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)ccc2OC(F)F)ccc1O ZINC000833304050 601856262 /nfs/dbraw/zinc/85/62/62/601856262.db2.gz NBFYYDMLEJQVSW-UHFFFAOYSA-N -2 0 377.296 2.632 20 0 GFADRL CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2cc(C(=O)OC)ccc2C(=O)[O-])n[nH]1 ZINC000829216034 601862018 /nfs/dbraw/zinc/86/20/18/601862018.db2.gz IPGSMHZKFXJVDH-SNVBAGLBSA-N -2 0 395.437 2.599 20 0 GFADRL O=C([O-])N1CCc2nc([N-]S(=O)(=O)c3ccc(Cl)cc3F)sc2C1 ZINC000740529075 601977433 /nfs/dbraw/zinc/97/74/33/601977433.db2.gz DKCAPOUAOXOGDV-UHFFFAOYSA-N -2 0 391.833 2.773 20 0 GFADRL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]c1ccc(OC)c(NC(=O)[O-])c1 ZINC000739783742 601999743 /nfs/dbraw/zinc/99/97/43/601999743.db2.gz BKHZVNGPKWMWLM-UHFFFAOYSA-N -2 0 398.368 2.512 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2nnc(-c3ccco3)s2)ccc1Cl ZINC000833306290 602102147 /nfs/dbraw/zinc/10/21/47/602102147.db2.gz MVEYREMJICVOQN-UHFFFAOYSA-N -2 0 385.810 2.951 20 0 GFADRL Cc1ccc(Cc2nnc([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)s2)cc1 ZINC000832933916 602105318 /nfs/dbraw/zinc/10/53/18/602105318.db2.gz JBVRKROQPHODQQ-UHFFFAOYSA-N -2 0 395.487 2.998 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2nnc(-c3ccccc3Cl)s2)c[nH]1 ZINC000833306111 602212773 /nfs/dbraw/zinc/21/27/73/602212773.db2.gz DXYFWXCHJUSIMG-UHFFFAOYSA-N -2 0 384.826 2.686 20 0 GFADRL COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1cccc(CN(C)C(=O)[O-])c1 ZINC000739777754 602655570 /nfs/dbraw/zinc/65/55/70/602655570.db2.gz FYNIOXIUFKUEIG-UHFFFAOYSA-N -2 0 392.433 2.692 20 0 GFADRL CCC[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000739320586 602686777 /nfs/dbraw/zinc/68/67/77/602686777.db2.gz PUTDOZGAWUGYFN-INIZCTEOSA-N -2 0 376.434 2.595 20 0 GFADRL Cc1ccc(-n2[n-]c(C(=O)Nc3cccc4c3CCN(C(=O)[O-])C4)cc2=O)cc1 ZINC000830165189 603802287 /nfs/dbraw/zinc/80/22/87/603802287.db2.gz KJKPFNKHTGJLOK-UHFFFAOYSA-N -2 0 392.415 2.762 20 0 GFADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000829971440 603838620 /nfs/dbraw/zinc/83/86/20/603838620.db2.gz MBVZEKKYIRATCW-LLVKDONJSA-N -2 0 378.406 2.823 20 0 GFADRL C[C@H](NC(=O)[O-])c1ccc(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cc1 ZINC000825449660 604200326 /nfs/dbraw/zinc/20/03/26/604200326.db2.gz WBUZDGWHUYKBNZ-VIFPVBQESA-N -2 0 382.369 2.653 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2ncc(Br)cc2C)ccc1C(=O)[O-] ZINC000389104183 604620494 /nfs/dbraw/zinc/62/04/94/604620494.db2.gz FRIRURJPKXVRJN-UHFFFAOYSA-N -2 0 385.239 2.960 20 0 GFADRL COc1ccc(Cl)c(S(=O)(=O)[N-]c2nc(CCC(=O)[O-])cs2)c1 ZINC000832363039 604624261 /nfs/dbraw/zinc/62/42/61/604624261.db2.gz VASLPUYVIWSHDA-UHFFFAOYSA-N -2 0 376.843 2.623 20 0 GFADRL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]c2sccc2C(=O)[O-])cc1Cl ZINC000833398689 605022314 /nfs/dbraw/zinc/02/23/14/605022314.db2.gz QNHXJIIGYGMBPC-UHFFFAOYSA-N -2 0 392.817 2.998 20 0 GFADRL CC(C)(C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1)c1ccc(F)cc1 ZINC000833411689 605118096 /nfs/dbraw/zinc/11/80/96/605118096.db2.gz NUVSTGZEHBBILH-UHFFFAOYSA-N -2 0 399.827 2.960 20 0 GFADRL CC(C)Oc1ccccc1C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000833507366 605121846 /nfs/dbraw/zinc/12/18/46/605121846.db2.gz IJVBZMNEQHXGCC-UHFFFAOYSA-N -2 0 397.836 2.944 20 0 GFADRL COc1cc([N-]S(=O)(=O)c2cccc3c2ccnc3C(=O)[O-])cc(OC)c1 ZINC000833729322 605150391 /nfs/dbraw/zinc/15/03/91/605150391.db2.gz KVJXTPCLBCZTPO-UHFFFAOYSA-N -2 0 388.401 2.751 20 0 GFADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000443351600 605162945 /nfs/dbraw/zinc/16/29/45/605162945.db2.gz AEWOHYVJNYGIJD-UHFFFAOYSA-N -3 0 397.380 2.812 20 0 GFADRL Cc1cnn(-c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2c[nH]c3ncccc23)c1 ZINC000833753903 605189875 /nfs/dbraw/zinc/18/98/75/605189875.db2.gz BQEJWMZMSWFBRO-UHFFFAOYSA-N -2 0 397.416 2.556 20 0 GFADRL Cc1cnn(-c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2ccc3c(c2)COC3)c1 ZINC000833754473 605190992 /nfs/dbraw/zinc/19/09/92/605190992.db2.gz QHORFLNHZQNITD-UHFFFAOYSA-N -2 0 399.428 2.710 20 0 GFADRL CC(C)N1CCc2nc([N-]S(=O)(=O)c3cc(F)ccc3C(=O)[O-])sc2C1 ZINC000833501542 605343353 /nfs/dbraw/zinc/34/33/53/605343353.db2.gz BSFZZWFCEBNXKH-UHFFFAOYSA-N -2 0 399.469 2.548 20 0 GFADRL O=C([O-])c1ccc(NC(=O)C2(Nc3ccccc3)CCN(C(=O)[O-])CC2)cc1 ZINC000834283374 606037260 /nfs/dbraw/zinc/03/72/60/606037260.db2.gz NZSOZIMQKHKOGK-UHFFFAOYSA-N -2 0 383.404 2.948 20 0 GFADRL O=C([O-])N[C@@H](CCC(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F)c1ccccc1 ZINC000834137185 606050086 /nfs/dbraw/zinc/05/00/86/606050086.db2.gz JQFFLXRYZAFKMZ-DOTOQJQBSA-N -2 0 392.358 2.996 20 0 GFADRL O=C([O-])Cn1ccc2cc(NC(=O)[C@H](Cc3ccccc3)NC(=O)[O-])ccc21 ZINC000834067634 606059717 /nfs/dbraw/zinc/05/97/17/606059717.db2.gz FYGCLJKXZNHOLP-INIZCTEOSA-N -2 0 381.388 2.543 20 0 GFADRL Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1cccc2c1CCN2C(=O)[O-] ZINC000833921543 606079516 /nfs/dbraw/zinc/07/95/16/606079516.db2.gz KPPSDPZHSRNORV-UHFFFAOYSA-N -2 0 392.481 2.997 20 0 GFADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(F)(F)F)c1C(=O)[O-] ZINC000832991326 660804164 /nfs/dbraw/zinc/80/41/64/660804164.db2.gz LRLQAIQBJHBZKK-UHFFFAOYSA-N -2 0 383.735 2.889 20 0 GFADRL COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Br ZINC000013264823 654503694 /nfs/dbraw/zinc/50/36/94/654503694.db2.gz LYOURFXKSHXZEW-UHFFFAOYSA-N -2 0 386.223 2.957 20 0 GFADRL COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)c1 ZINC000026529505 654557469 /nfs/dbraw/zinc/55/74/69/654557469.db2.gz BGZQUTUCGWWZFH-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL COc1cc(OC)c([N-]S(=O)(=O)c2ccc(Cl)cc2F)c(C(=O)[O-])c1 ZINC000060362438 654828427 /nfs/dbraw/zinc/82/84/27/654828427.db2.gz DIYJAFZZUWZGAT-UHFFFAOYSA-N -2 0 389.788 2.995 20 0 GFADRL Cc1ccc([N-]S(=O)(=O)c2ccsc2C(=O)[N-]c2nncs2)cc1 ZINC000072060334 655003032 /nfs/dbraw/zinc/00/30/32/655003032.db2.gz STHFNWRIYNQFRW-UHFFFAOYSA-N -2 0 380.476 2.961 20 0 GFADRL CNC(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])c(Cl)c2)cc1 ZINC000180529872 655327938 /nfs/dbraw/zinc/32/79/38/655327938.db2.gz WECYLZAIOAJSMO-UHFFFAOYSA-N -2 0 375.233 2.859 20 0 GFADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Br)nc1C ZINC000222851675 655422186 /nfs/dbraw/zinc/42/21/86/655422186.db2.gz KTSHMPBWLYJBSD-UHFFFAOYSA-N -2 0 375.200 2.553 20 0 GFADRL CC(C)(C)C[C@H]([N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)[O-] ZINC000776552236 656756793 /nfs/dbraw/zinc/75/67/93/656756793.db2.gz PETMBNWRWVNYBR-YFKPBYRVSA-N -2 0 375.315 2.550 20 0 GFADRL C[C@@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000776561493 656757892 /nfs/dbraw/zinc/75/78/92/656757892.db2.gz LWJWAHZJXOSJRE-LURJTMIESA-N -2 0 375.315 2.694 20 0 GFADRL COc1cccc([N-]S(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)c1O ZINC000778567636 656884510 /nfs/dbraw/zinc/88/45/10/656884510.db2.gz HSQIVQKRPAZPQV-UHFFFAOYSA-N -2 0 375.761 2.692 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(O)cc(F)c2)c(F)c(Cl)c1F ZINC000779837101 656948245 /nfs/dbraw/zinc/94/82/45/656948245.db2.gz LJSFRACHCFWRLX-UHFFFAOYSA-N -2 0 381.715 2.962 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3c2OCO3)c(F)c(Cl)c1F ZINC000782261428 657121946 /nfs/dbraw/zinc/12/19/46/657121946.db2.gz LFQADRKXMNAFGB-UHFFFAOYSA-N -2 0 391.735 2.846 20 0 GFADRL COc1cc([N-]S(=O)(=O)c2c(Cl)ccnc2Cl)ccc1C(=O)[O-] ZINC000788488612 657728265 /nfs/dbraw/zinc/72/82/65/657728265.db2.gz CQHNKGZKBKJITQ-UHFFFAOYSA-N -2 0 377.205 2.896 20 0 GFADRL Cn1nc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1C(=O)[O-] ZINC000790006026 657907021 /nfs/dbraw/zinc/90/70/21/657907021.db2.gz TZKKOPJZMDYBGV-UHFFFAOYSA-N -2 0 383.735 2.591 20 0 GFADRL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000793386117 658392224 /nfs/dbraw/zinc/39/22/24/658392224.db2.gz SIPAUYRIMXUCAD-UHFFFAOYSA-N -2 0 387.772 2.985 20 0 GFADRL CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cc(C)cc(C(=O)[O-])c2)s1 ZINC000795365418 658811636 /nfs/dbraw/zinc/81/16/36/658811636.db2.gz KZKKTLFNZVKFKF-JTQLQIEISA-N -2 0 382.463 2.753 20 0 GFADRL COc1cc(F)c(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC000811712455 660014614 /nfs/dbraw/zinc/01/46/14/660014614.db2.gz AIDXAJGFEHGXTK-UHFFFAOYSA-N -2 0 375.324 2.920 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3[nH]c(=O)[nH]c32)c(Cl)cc1F ZINC000811717779 660014744 /nfs/dbraw/zinc/01/47/44/660014744.db2.gz VYAZNGMDHPEPNV-UHFFFAOYSA-N -2 0 385.760 2.560 20 0 GFADRL O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1ccc(Cl)cc1F ZINC000852734791 661872739 /nfs/dbraw/zinc/87/27/39/661872739.db2.gz DFFAMRDXRHBLOH-VXGBXAGGSA-N -2 0 382.741 2.575 20 0 GFADRL O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1ccc(Cl)c(F)c1 ZINC000852738528 661873124 /nfs/dbraw/zinc/87/31/24/661873124.db2.gz ZWIUCFMFCGYTJV-VXGBXAGGSA-N -2 0 382.741 2.575 20 0 GFADRL CC[C@@H](C[N-]S(=O)(=O)c1oc2ccccc2c1Br)C(=O)[O-] ZINC000864432445 662370712 /nfs/dbraw/zinc/37/07/12/662370712.db2.gz ZXWZBXINUAWFCN-QMMMGPOBSA-N -2 0 376.228 2.584 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)c(C(=O)[O-])c2)sn1 ZINC000872346192 662761361 /nfs/dbraw/zinc/76/13/61/662761361.db2.gz KZRAHGCUTJDHDA-UHFFFAOYSA-N -2 0 399.519 2.504 20 0 GFADRL O=C([N-]CCCc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)C(F)(F)F ZINC000903569745 663789038 /nfs/dbraw/zinc/78/90/38/663789038.db2.gz NJSICSSUBOAFGN-UHFFFAOYSA-N -2 0 393.412 2.555 20 0 GFADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000910182683 664198312 /nfs/dbraw/zinc/19/83/12/664198312.db2.gz IGAIMZVGGCBGMV-HQJQHLMTSA-N -2 0 379.718 2.749 20 0 GFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cncc(Br)c2)cc1Cl ZINC000044243109 551143751 /nfs/dbraw/zinc/14/37/51/551143751.db2.gz APZDXULGYTYJJA-UHFFFAOYSA-N -2 0 391.630 2.997 20 0 GFADRL CCNC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000055633717 551173958 /nfs/dbraw/zinc/17/39/58/551173958.db2.gz DSRYULGQCKMIPN-UHFFFAOYSA-N -2 0 382.825 2.589 20 0 GFADRL Cc1cc(C)c(S(=O)(=O)[N-]c2ccn(CC(F)(F)F)n2)cc1C(=O)[O-] ZINC000160234268 551577659 /nfs/dbraw/zinc/57/76/59/551577659.db2.gz GVJIETRBBUXBSN-UHFFFAOYSA-N -2 0 377.344 2.561 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(F)(F)F)c2)cs1 ZINC000431183976 563556567 /nfs/dbraw/zinc/55/65/67/563556567.db2.gz SIUQXZJFJYHWPN-UHFFFAOYSA-N -3 0 395.336 2.964 20 0 GFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc(Br)c2F)c(O)c1 ZINC000410364619 563587449 /nfs/dbraw/zinc/58/74/49/563587449.db2.gz IZEORIUWAMFQFU-UHFFFAOYSA-N -2 0 390.186 2.793 20 0 GFADRL O=C(N=c1nc(-c2cccnc2)[n-]s1)c1ccc(Br)cc1[O-] ZINC000436675778 563677118 /nfs/dbraw/zinc/67/71/18/563677118.db2.gz XMZDEOMLEBMKOL-UHFFFAOYSA-N -2 0 377.223 2.742 20 0 GFADRL COC(=O)c1csc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)[O-])c1 ZINC000542727042 564322515 /nfs/dbraw/zinc/32/25/15/564322515.db2.gz DEPQZASTCGNOIU-UHFFFAOYSA-N -2 0 375.811 2.687 20 0 GFADRL Cc1c(Cl)cc(S(=O)(=O)[N-]c2cn(C)nc2C(F)(F)F)cc1C(=O)[O-] ZINC000479268361 564433722 /nfs/dbraw/zinc/43/37/22/564433722.db2.gz ZYCUGFYWGYVPGM-UHFFFAOYSA-N -2 0 397.762 2.900 20 0 GFADRL COc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2O)cc(C(=O)[O-])c1OC ZINC000513812984 564439445 /nfs/dbraw/zinc/43/94/45/564439445.db2.gz VLYNKEZYWDSVRF-UHFFFAOYSA-N -2 0 387.797 2.562 20 0 GFADRL Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc3c(cc2C(=O)[O-])OCCO3)c1 ZINC000547547234 564493651 /nfs/dbraw/zinc/49/36/51/564493651.db2.gz XRDYKAQPEFGDPK-UHFFFAOYSA-N -2 0 383.809 2.919 20 0 GFADRL CC(C)[C@@H](C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000547608546 564501661 /nfs/dbraw/zinc/50/16/61/564501661.db2.gz HIHQOLLWZNRCAR-MRVPVSSYSA-N -2 0 385.225 2.537 20 0 GFADRL CCOc1cc([N-]S(=O)(=O)[C@@H](C)C(F)(F)F)c(C(=O)[O-])cc1OCC ZINC000548208393 564536964 /nfs/dbraw/zinc/53/69/64/564536964.db2.gz WEAWNRKRKHMDHN-QMMMGPOBSA-N -2 0 385.360 2.875 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2c(Cl)cc(C)cc2C(=O)[O-])oc1C ZINC000548265004 564545477 /nfs/dbraw/zinc/54/54/77/564545477.db2.gz ZYAFTTRWGLOCOQ-UHFFFAOYSA-N -2 0 387.797 2.835 20 0 GFADRL CC(C)(C)[C@@H](CC(=O)[O-])NS(=O)(=O)c1cc(F)ccc1Br ZINC000548590619 564564707 /nfs/dbraw/zinc/56/47/07/564564707.db2.gz QWXFKZJPLJAKHV-LLVKDONJSA-N -2 0 382.251 2.756 20 0 GFADRL Cn1ncc(Cl)c1S(=O)(=O)[N-]c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000485404253 564614368 /nfs/dbraw/zinc/61/43/68/564614368.db2.gz YGUWTYJDJBOEML-UHFFFAOYSA-N -2 0 384.628 2.879 20 0 GFADRL COC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc1Cl ZINC000522809479 564657728 /nfs/dbraw/zinc/65/77/28/564657728.db2.gz LHUVSYKKXLFBGR-UHFFFAOYSA-N -2 0 389.838 2.996 20 0 GFADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000489344972 564737020 /nfs/dbraw/zinc/73/70/20/564737020.db2.gz LPUDUJJCGFEWLH-UHFFFAOYSA-N -2 0 376.312 2.608 20 0 GFADRL CCOC[C@H](C)CS(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC(F)(F)F ZINC000582549950 564852212 /nfs/dbraw/zinc/85/22/12/564852212.db2.gz LASPOAXKINTSEY-VIFPVBQESA-N -2 0 385.360 2.698 20 0 GFADRL COc1cc([N-]S(=O)(=O)c2cccnc2C(F)(F)F)ccc1C(=O)[O-] ZINC000558039460 564889986 /nfs/dbraw/zinc/88/99/86/564889986.db2.gz SJSIFLNUITUEHY-UHFFFAOYSA-N -2 0 376.312 2.608 20 0 GFADRL CNC(=O)c1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2C)cc1Cl ZINC000466352995 564938459 /nfs/dbraw/zinc/93/84/59/564938459.db2.gz PRMQCUQCQQYYBO-UHFFFAOYSA-N -2 0 382.825 2.507 20 0 GFADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC000533691286 564970340 /nfs/dbraw/zinc/97/03/40/564970340.db2.gz DPQOTELZMLZAHX-UHFFFAOYSA-N -2 0 375.324 2.920 20 0 GFADRL Cc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])c1Br ZINC000469017923 565002337 /nfs/dbraw/zinc/00/23/37/565002337.db2.gz RZEJONMCEGUFPW-UHFFFAOYSA-N -2 0 386.223 2.962 20 0 GFADRL CCc1noc(C)c1[N-]S(=O)(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC000536493247 565038501 /nfs/dbraw/zinc/03/85/01/565038501.db2.gz SJMIMJZWFQLDGS-UHFFFAOYSA-N -2 0 389.227 2.807 20 0 GFADRL COC(=O)c1sc(C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C ZINC000594698029 565408631 /nfs/dbraw/zinc/40/86/31/565408631.db2.gz SZMNTJWPNKUFHO-UHFFFAOYSA-N -2 0 383.447 2.959 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2ccc3[nH]c(=O)c(C)cc3c2)sc1C(=O)[O-] ZINC000647919623 565683903 /nfs/dbraw/zinc/68/39/03/565683903.db2.gz HTSOEQVLORABCZ-UHFFFAOYSA-N -2 0 378.431 2.705 20 0 GFADRL COc1cc(C[NH2+][C@H](CC(=O)[O-])c2ccncc2)cc(Br)c1O ZINC000656567523 566142325 /nfs/dbraw/zinc/14/23/25/566142325.db2.gz RYOCQEQMJSKOJK-CYBMUJFWSA-N -2 0 381.226 2.864 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c(Br)c1 ZINC000738042472 599739901 /nfs/dbraw/zinc/73/99/01/599739901.db2.gz WLAVCKATLOWDJO-UHFFFAOYSA-N -2 0 376.184 2.550 20 0 GFADRL O=C([O-])c1cc2c(c(S(=O)(=O)Nc3cccc(F)c3C(=O)[O-])c1)CCC2 ZINC000516771942 599851908 /nfs/dbraw/zinc/85/19/08/599851908.db2.gz JBVWRUYXKYESTI-UHFFFAOYSA-N -2 0 379.365 2.512 20 0 GFADRL COC(=O)CCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000729667767 599854545 /nfs/dbraw/zinc/85/45/45/599854545.db2.gz SIGVCJZSWDJZPG-UHFFFAOYSA-N -2 0 397.836 2.945 20 0 GFADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccc(C)c(C(=O)NC(C)C)c2)c1C(=O)[O-] ZINC000738632482 599908838 /nfs/dbraw/zinc/90/88/38/599908838.db2.gz APDQNUUWMVQTFT-UHFFFAOYSA-N -2 0 394.449 2.842 20 0 GFADRL Cn1c(=O)c2ccc(C(=O)N[C@@H](CCC(=O)[O-])c3ccccc3)cc2[n-]c1=S ZINC000739013744 599952715 /nfs/dbraw/zinc/95/27/15/599952715.db2.gz INTLFKFIEHGZFY-HNNXBMFYSA-N -2 0 397.456 2.558 20 0 GFADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1nc(CN2CCCCC2)cs1 ZINC000738277309 599966522 /nfs/dbraw/zinc/96/65/22/599966522.db2.gz SZWMOIYIEQVRDF-UHFFFAOYSA-N -2 0 395.506 2.936 20 0 GFADRL CCNC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000067244336 600004515 /nfs/dbraw/zinc/00/45/15/600004515.db2.gz WKMXXVOAIZSLTC-UHFFFAOYSA-N -2 0 382.825 2.589 20 0 GFADRL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2cc3c(cc2Cl)OCCO3)c1 ZINC000588621692 600005942 /nfs/dbraw/zinc/00/59/42/600005942.db2.gz CCMWXVXKJBLWEX-UHFFFAOYSA-N -2 0 399.808 2.619 20 0 GFADRL Cc1cc(C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C(F)(F)F)c2)c(C)o1 ZINC000738332512 600044987 /nfs/dbraw/zinc/04/49/87/600044987.db2.gz INSHMNLKRDGYFR-UHFFFAOYSA-N -2 0 391.323 2.732 20 0 GFADRL O=C([O-])Cc1csc([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)n1 ZINC000323891660 600052731 /nfs/dbraw/zinc/05/27/31/600052731.db2.gz NOEYCRMDTRCVQN-UHFFFAOYSA-N -2 0 398.796 2.826 20 0 GFADRL COCCOc1ccc(F)cc1[N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)[O-] ZINC000737830423 600099404 /nfs/dbraw/zinc/09/94/04/600099404.db2.gz YAAVTHCZSFMYGJ-UHFFFAOYSA-N -2 0 387.385 2.560 20 0 GFADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(CSC)cc1 ZINC000737686958 600102080 /nfs/dbraw/zinc/10/20/80/600102080.db2.gz ATNKHYIGWODMQV-UHFFFAOYSA-N -2 0 395.458 2.835 20 0 GFADRL Cc1ccc(Cn2nccc2[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)o1 ZINC000738605233 600102388 /nfs/dbraw/zinc/10/23/88/600102388.db2.gz SPBXLKVRXCQQJZ-UHFFFAOYSA-N -2 0 375.406 2.640 20 0 GFADRL CCC[C@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000736970422 600241698 /nfs/dbraw/zinc/24/16/98/600241698.db2.gz MLESLRXKARNSRC-MRXNPFEDSA-N -2 0 388.530 2.531 20 0 GFADRL CCc1csc([N-]S(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2)n1 ZINC000737274477 600360498 /nfs/dbraw/zinc/36/04/98/600360498.db2.gz KVJWYEPDJJHGTP-UHFFFAOYSA-N -2 0 391.268 2.967 20 0 GFADRL O=C([O-])CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000739672050 600383702 /nfs/dbraw/zinc/38/37/02/600383702.db2.gz NRRYFZPYLZIVLV-UHFFFAOYSA-N -3 0 399.808 2.693 20 0 GFADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccccc2N2CCCCCC2)c1C(=O)[O-] ZINC000738339244 600424037 /nfs/dbraw/zinc/42/40/37/600424037.db2.gz YIASTMZMVCDGFA-UHFFFAOYSA-N -2 0 378.454 2.598 20 0 GFADRL COc1ccc(-c2cc3[n-]c(CN4CCC[C@@H]4C(=O)[O-])nc(=O)c3s2)cc1 ZINC000737910183 600436963 /nfs/dbraw/zinc/43/69/63/600436963.db2.gz VNKJWLQSOCZJHP-CQSZACIVSA-N -2 0 385.445 2.709 20 0 GFADRL O=C([O-])Nc1ccc(CCNC(=O)c2ccc3c(=O)[nH]c(=S)[n-]c3c2)cc1 ZINC000740019701 600465136 /nfs/dbraw/zinc/46/51/36/600465136.db2.gz HELXXELZFVFGJF-UHFFFAOYSA-N -2 0 384.417 2.687 20 0 GFADRL Cc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)ccc1OCC(=O)[O-] ZINC000500314378 600482458 /nfs/dbraw/zinc/48/24/58/600482458.db2.gz JKJBRKFLEPDQRH-UHFFFAOYSA-N -2 0 399.808 2.611 20 0 GFADRL COC(=O)c1csc(S(=O)(=O)[N-]c2ccc(OCCCC(=O)[O-])cc2)c1 ZINC000737712922 600489114 /nfs/dbraw/zinc/48/91/14/600489114.db2.gz GPYPFAJPDAZKNS-UHFFFAOYSA-N -2 0 399.446 2.579 20 0 GFADRL COC(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(OCCCC(=O)[O-])cc1 ZINC000737710898 600489118 /nfs/dbraw/zinc/48/91/18/600489118.db2.gz CGHHFSOLMJURJC-UHFFFAOYSA-N -2 0 393.417 2.518 20 0 GFADRL CCOC(=O)c1sc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cc1C ZINC000737156600 600512559 /nfs/dbraw/zinc/51/25/59/600512559.db2.gz MSMQTDXQHHMZJP-UHFFFAOYSA-N -2 0 375.449 2.794 20 0 GFADRL CCCn1nccc1[N-]S(=O)(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC000737051821 600635541 /nfs/dbraw/zinc/63/55/41/600635541.db2.gz UUGBKBXDZAQFOS-UHFFFAOYSA-N -2 0 388.243 2.555 20 0 GFADRL Cc1[nH]c(C([O-])=CS(=O)(=O)Cc2ccc3c(c2)CCC3)c(C)c1C(=O)[O-] ZINC000738156972 600649946 /nfs/dbraw/zinc/64/99/46/600649946.db2.gz YSRARFWXGBEYKI-UHFFFAOYSA-N -2 0 375.446 2.616 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2-c2n[nH]c(C3CC3)n2)cs1 ZINC000614781955 600673878 /nfs/dbraw/zinc/67/38/78/600673878.db2.gz MNENNKMAZYQBMO-UHFFFAOYSA-N -2 0 390.446 2.910 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(-c3n[nH]c(C4CC4)n3)cc2)cs1 ZINC000522397802 600679655 /nfs/dbraw/zinc/67/96/55/600679655.db2.gz SNSXNIQTXZGRCB-UHFFFAOYSA-N -2 0 390.446 2.910 20 0 GFADRL COC(=O)c1cc(Cl)cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000736064770 600683646 /nfs/dbraw/zinc/68/36/46/600683646.db2.gz SKLKNPMYZQRBNP-UHFFFAOYSA-N -2 0 375.811 2.687 20 0 GFADRL Cc1ccc(N2CCOC2=O)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000832938989 600691641 /nfs/dbraw/zinc/69/16/41/600691641.db2.gz PCVJEDLXJGAOCH-UHFFFAOYSA-N -2 0 382.419 2.512 20 0 GFADRL CNC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC000737543296 600784300 /nfs/dbraw/zinc/78/43/00/600784300.db2.gz PXYZHTJDFASUPP-UHFFFAOYSA-N -2 0 382.825 2.507 20 0 GFADRL CC(C)(CC(=O)[O-])NC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000736311433 600788047 /nfs/dbraw/zinc/78/80/47/600788047.db2.gz VMJBMFSYSRJTOK-UHFFFAOYSA-N -2 0 382.463 2.532 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCC(C)C)cc1C(=O)[O-] ZINC000013262197 600808760 /nfs/dbraw/zinc/80/87/60/600808760.db2.gz HNODYEWHJRXUQD-UHFFFAOYSA-N -2 0 390.461 2.880 20 0 GFADRL Cc1cc(S(=O)(=O)N2CCCc3cc(C(=O)[O-])ccc32)ccc1C(=O)[O-] ZINC000506598796 600892811 /nfs/dbraw/zinc/89/28/11/600892811.db2.gz DIYGHCLCPVKASM-UHFFFAOYSA-N -2 0 375.402 2.533 20 0 GFADRL CCNC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000506659054 600893091 /nfs/dbraw/zinc/89/30/91/600893091.db2.gz BHSGTSCBKDGLRW-UHFFFAOYSA-N -2 0 396.852 2.897 20 0 GFADRL O=C([O-])c1ccc2c(c1)CCCN2S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000740075351 600893637 /nfs/dbraw/zinc/89/36/37/600893637.db2.gz LTPITZILZSEDAN-UHFFFAOYSA-N -2 0 395.820 2.878 20 0 GFADRL Cc1ccc(-n2[n-]c(C(=O)N[C@@H](CC(=O)[O-])c3ccc(F)cc3)cc2=O)cc1 ZINC000832909334 600909293 /nfs/dbraw/zinc/90/92/93/600909293.db2.gz BGIDPEVCIQYSLO-INIZCTEOSA-N -2 0 383.379 2.559 20 0 GFADRL CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000829009825 600940943 /nfs/dbraw/zinc/94/09/43/600940943.db2.gz RYLRHBMOQZEMOA-UTUOFQBUSA-N -2 0 389.495 2.625 20 0 GFADRL O=C([O-])c1cc([N-]S(=O)(=O)c2cnn(-c3ccccc3F)c2)ccc1F ZINC000460428802 601045474 /nfs/dbraw/zinc/04/54/74/601045474.db2.gz AFMINURXBUNNNW-UHFFFAOYSA-N -2 0 379.344 2.650 20 0 GFADRL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000507970206 601116592 /nfs/dbraw/zinc/11/65/92/601116592.db2.gz ZYBUCSSZJVGNAU-UHFFFAOYSA-N -3 0 397.380 2.730 20 0 GFADRL O=C([O-])c1ccc(Cl)cc1S(=O)(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC000740134733 601120941 /nfs/dbraw/zinc/12/09/41/601120941.db2.gz JWKOAHVBXHDDLL-UHFFFAOYSA-N -2 0 391.735 2.815 20 0 GFADRL CCn1c(=O)c2ccc(C(=O)NC3(CC(=O)[O-])CCCCC3)cc2[n-]c1=S ZINC000830412677 601187502 /nfs/dbraw/zinc/18/75/02/601187502.db2.gz YAWJEZUBZMOHGH-UHFFFAOYSA-N -2 0 389.477 2.613 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1nc2c(s1)CCCCC2 ZINC000831949620 601200943 /nfs/dbraw/zinc/20/09/43/601200943.db2.gz CTNBGIUBUKLKCA-UHFFFAOYSA-N -2 0 388.492 2.981 20 0 GFADRL COc1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)c(Cl)cc1C(=O)[O-] ZINC000485275843 601224152 /nfs/dbraw/zinc/22/41/52/601224152.db2.gz SMLIICVFYKHBAN-UHFFFAOYSA-N -3 0 399.808 2.854 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)n(-c2ccc(F)cc2)n1 ZINC000832898468 601229471 /nfs/dbraw/zinc/22/94/71/601229471.db2.gz LIQIYAKERBJGHQ-UHFFFAOYSA-N -2 0 379.369 2.720 20 0 GFADRL COC(=O)c1cc(C(C)C)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000831243214 601232677 /nfs/dbraw/zinc/23/26/77/601232677.db2.gz XHRSBTXFBDUIGZ-UHFFFAOYSA-N -2 0 381.406 2.997 20 0 GFADRL CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(OCCC(=O)[O-])cc1 ZINC000830232294 601250697 /nfs/dbraw/zinc/25/06/97/601250697.db2.gz MEYKJXGYNLFLTN-UHFFFAOYSA-N -2 0 393.417 2.602 20 0 GFADRL COc1cc(/C=C\C(=O)[O-])cc(S(=O)(=O)[N-]c2sc(C)nc2C)c1OC ZINC000831972575 601251725 /nfs/dbraw/zinc/25/17/25/601251725.db2.gz LOTYBTBBRYBRSY-WAYWQWQTSA-N -2 0 398.462 2.676 20 0 GFADRL COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)[N-]c2cc(C)ccc2O)c1OC ZINC000831972858 601251826 /nfs/dbraw/zinc/25/18/26/601251826.db2.gz SZGSZOBFPFDKGI-FNORWQNLSA-N -2 0 393.417 2.616 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])cc1Cl ZINC000832419692 601382733 /nfs/dbraw/zinc/38/27/33/601382733.db2.gz ZDXLIIRJSMMQGH-UHFFFAOYSA-N -2 0 377.205 2.896 20 0 GFADRL COc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc(F)c([O-])c(F)c2)cc1OC ZINC000832236008 601386018 /nfs/dbraw/zinc/38/60/18/601386018.db2.gz SYPYPLDIIOOITE-ZDUSSCGKSA-N -2 0 381.331 2.633 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)n(-c2cccc(Cl)c2)n1 ZINC000832898935 601402563 /nfs/dbraw/zinc/40/25/63/601402563.db2.gz ZTYYTRVQIWYYKV-UHFFFAOYSA-N -2 0 394.840 2.672 20 0 GFADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nnc(Cc2ccccc2)s1 ZINC000832918717 601502864 /nfs/dbraw/zinc/50/28/64/601502864.db2.gz NTFMEVYXABGRJS-UHFFFAOYSA-N -2 0 389.458 2.936 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2nnc(Cc3cccc(Cl)c3)s2)o1 ZINC000833324642 601504371 /nfs/dbraw/zinc/50/43/71/601504371.db2.gz XSVVPOYGPMKSCN-UHFFFAOYSA-N -2 0 399.837 2.874 20 0 GFADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000507966949 601575744 /nfs/dbraw/zinc/57/57/44/601575744.db2.gz NWTVUYCQTARVBU-UHFFFAOYSA-N -3 0 393.417 2.981 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(-c3cccc(Cl)c3)[nH]n2)ccc1O ZINC000833303978 601605691 /nfs/dbraw/zinc/60/56/91/601605691.db2.gz CORFAMXCLHWIDF-UHFFFAOYSA-N -2 0 393.808 2.935 20 0 GFADRL Cc1[nH]c(C([O-])=CS(=O)(=O)Cc2nc(C(C)(C)C)cs2)c(C)c1C(=O)[O-] ZINC000832842902 601766586 /nfs/dbraw/zinc/76/65/86/601766586.db2.gz GEDXDVMKDHIONK-UHFFFAOYSA-N -2 0 398.506 2.881 20 0 GFADRL COc1cc(C)c(S(=O)(=O)[N-]c2nc(CCCC(=O)[O-])cs2)cc1C ZINC000831967454 601771487 /nfs/dbraw/zinc/77/14/87/601771487.db2.gz YEBQLOPKRAYXJP-UHFFFAOYSA-N -2 0 384.479 2.977 20 0 GFADRL COC(=O)c1cc(OC)ccc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000831331263 601828994 /nfs/dbraw/zinc/82/89/94/601828994.db2.gz FPQRWXFIJRXPJO-UHFFFAOYSA-N -2 0 399.808 2.634 20 0 GFADRL COC(=O)c1cc([N-]S(=O)(=O)c2cc(C)c(F)cc2F)ccc1C(=O)[O-] ZINC000831327396 601830624 /nfs/dbraw/zinc/83/06/24/601830624.db2.gz KSBYRDOCCMJLBH-UHFFFAOYSA-N -2 0 385.344 2.559 20 0 GFADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1cccc(OCc2ccccn2)c1 ZINC000833346415 601834963 /nfs/dbraw/zinc/83/49/63/601834963.db2.gz PCSVQCWTTSWDFC-UHFFFAOYSA-N -2 0 391.430 2.616 20 0 GFADRL COc1c(Cl)cc([N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1Cl ZINC000831852242 601839872 /nfs/dbraw/zinc/83/98/72/601839872.db2.gz SRKQYFAHMLHETA-UHFFFAOYSA-N -2 0 383.234 2.958 20 0 GFADRL COc1cccc([C@@H](C)CC(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)c1 ZINC000832529009 601843333 /nfs/dbraw/zinc/84/33/33/601843333.db2.gz UTZZAZDUDQYIAB-ZDUSSCGKSA-N -2 0 391.445 2.533 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2ccccc2O[C@H]2CCOC2)ccc1C(=O)[O-] ZINC000285097512 601854731 /nfs/dbraw/zinc/85/47/31/601854731.db2.gz LSNQDWTZUHQMEI-ZDUSSCGKSA-N -2 0 377.418 2.662 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2O[C@@H]2CCOC2)cc(F)c1F ZINC000759679801 601855716 /nfs/dbraw/zinc/85/57/16/601855716.db2.gz FPRPPPSNEMGKBY-SNVBAGLBSA-N -2 0 399.371 2.632 20 0 GFADRL Cc1cc(S(=O)(=O)N2CCCc3c(C(=O)[O-])cccc32)cc(C(=O)[O-])c1F ZINC000832901869 601983811 /nfs/dbraw/zinc/98/38/11/601983811.db2.gz KMSVQVYFAHFDQT-UHFFFAOYSA-N -2 0 393.392 2.672 20 0 GFADRL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2nnc(-c3ccsc3)s2)cc1 ZINC000833259164 602103640 /nfs/dbraw/zinc/10/36/40/602103640.db2.gz KSHYSBSHIJDCED-UHFFFAOYSA-N -2 0 397.459 2.531 20 0 GFADRL CC1=C(C(=O)[O-])[C@H](c2cccc(-n3cccn3)c2)NC(=O)N1CCCCC(=O)[O-] ZINC000828134595 602111271 /nfs/dbraw/zinc/11/12/71/602111271.db2.gz IHILMVNNCXJPCU-SFHVURJKSA-N -2 0 398.419 2.552 20 0 GFADRL COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cs2)c1 ZINC000831250720 602115730 /nfs/dbraw/zinc/11/57/30/602115730.db2.gz DBNHEVJLMCHIMI-UHFFFAOYSA-N -2 0 375.811 2.687 20 0 GFADRL Cc1ccnc(-n2nccc2[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC000832983400 602159497 /nfs/dbraw/zinc/15/94/97/602159497.db2.gz UUGXTJNFRZWOCQ-UHFFFAOYSA-N -2 0 392.824 2.728 20 0 GFADRL Cn1cc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c(-c2ccccn2)n1 ZINC000833053134 602308082 /nfs/dbraw/zinc/30/80/82/602308082.db2.gz RGNAZSZNYUJRJZ-UHFFFAOYSA-N -2 0 392.824 2.635 20 0 GFADRL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccccc1OCC(F)F ZINC000833294818 602320385 /nfs/dbraw/zinc/32/03/85/602320385.db2.gz VNGLJWNTHKAAOF-UHFFFAOYSA-N -2 0 375.324 2.969 20 0 GFADRL COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3c(c2)CN(C(=O)[O-])CC3)c1 ZINC000739928952 602490974 /nfs/dbraw/zinc/49/09/74/602490974.db2.gz FUGLQRPZGNXJQN-UHFFFAOYSA-N -2 0 392.433 2.541 20 0 GFADRL COc1ccc(OC)c(S(=O)(=O)[N-]c2cccc3c2CCN(C(=O)[O-])C3)c1 ZINC000739933024 603182792 /nfs/dbraw/zinc/18/27/92/603182792.db2.gz YQJUPKHWBPEUNT-UHFFFAOYSA-N -2 0 392.433 2.541 20 0 GFADRL CCn1nc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(=O)[O-])c1C ZINC000739571708 603229865 /nfs/dbraw/zinc/22/98/65/603229865.db2.gz YVNDVBDNOFELBB-UHFFFAOYSA-N -2 0 378.454 2.751 20 0 GFADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CC[C@H](NC(=O)[O-])[C@H](C)C3)n2)c1 ZINC000824469903 603838830 /nfs/dbraw/zinc/83/88/30/603838830.db2.gz HSHJWWKHLBCYNW-CJNGLKHVSA-N -2 0 386.452 2.820 20 0 GFADRL CN(C(=O)[O-])[C@@H]1CCN(C(=O)c2cc(Cl)cc(Br)c2[O-])C1 ZINC000827864831 603840946 /nfs/dbraw/zinc/84/09/46/603840946.db2.gz IHNZKGNLBRZFDV-MRVPVSSYSA-N -2 0 377.622 2.632 20 0 GFADRL CN(C(=O)[O-])[C@H]1CCN(C(=O)c2cc(Cl)cc(Br)c2[O-])C1 ZINC000827864836 603841025 /nfs/dbraw/zinc/84/10/25/603841025.db2.gz IHNZKGNLBRZFDV-QMMMGPOBSA-N -2 0 377.622 2.632 20 0 GFADRL Cc1c(C(F)(F)F)cccc1S(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000832853762 604396985 /nfs/dbraw/zinc/39/69/85/604396985.db2.gz UVKMDAJFJLINGD-GHMZBOCLSA-N -2 0 393.383 2.710 20 0 GFADRL Cc1cc(C)cc(-c2nnc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)s2)c1 ZINC000832873858 604402441 /nfs/dbraw/zinc/40/24/41/604402441.db2.gz BCMHRTHDPFOIMS-UHFFFAOYSA-N -2 0 379.419 2.914 20 0 GFADRL Cc1cc(C)cc(-c2nnc([N-]S(=O)(=O)c3csnc3C(=O)[O-])s2)c1 ZINC000832875847 604402849 /nfs/dbraw/zinc/40/28/49/604402849.db2.gz YHMWPOJZUPXAOO-UHFFFAOYSA-N -2 0 396.475 2.777 20 0 GFADRL COC(=O)c1sc(S(=O)(=O)[N-]c2cc(C)cc(F)c2)c(C(=O)[O-])c1C ZINC000831478982 604642502 /nfs/dbraw/zinc/64/25/02/604642502.db2.gz HQUMKPBPHZLRSZ-UHFFFAOYSA-N -2 0 387.410 2.790 20 0 GFADRL C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)c2cc(Cl)c3ccccc3c2[O-])CCO1 ZINC000825324958 604774081 /nfs/dbraw/zinc/77/40/81/604774081.db2.gz HMLSLCCXYLTLSY-BONVTDFDSA-N -2 0 378.812 2.696 20 0 GFADRL O=C([O-])COc1ccc([N-]S(=O)(=O)c2c(F)cccc2F)cc1Cl ZINC000833258915 604807317 /nfs/dbraw/zinc/80/73/17/604807317.db2.gz ASZXPLBAJAUNJZ-UHFFFAOYSA-N -2 0 377.752 2.882 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2ccc3ccccc3n2)c(OC)c1C(=O)[O-] ZINC000833734413 604861052 /nfs/dbraw/zinc/86/10/52/604861052.db2.gz CPFLNAUVRYOOKY-UHFFFAOYSA-N -2 0 388.401 2.751 20 0 GFADRL CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2ccc3c(=O)[nH]c(=S)[n-]c3c2)C1 ZINC000833419047 605002379 /nfs/dbraw/zinc/00/23/79/605002379.db2.gz XFMXFHQGLVJBDQ-NSHDSACASA-N -2 0 375.450 2.587 20 0 GFADRL CC(C)(CNC(=O)c1cc(Br)c([O-])c(Br)c1)C(=O)[O-] ZINC000833458714 605054085 /nfs/dbraw/zinc/05/40/85/605054085.db2.gz BTRKXOPWDKQWQD-UHFFFAOYSA-N -2 0 395.047 2.758 20 0 GFADRL C[C@H](CCCc1ccccc1)C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000833514803 605086703 /nfs/dbraw/zinc/08/67/03/605086703.db2.gz BCYIUXJAFCLFHJ-OAHLLOKOSA-N -2 0 389.473 2.990 20 0 GFADRL Cc1ccc(F)c(NS(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)c1C(=O)[O-] ZINC000833749188 605125589 /nfs/dbraw/zinc/12/55/89/605125589.db2.gz COORUKHPZUPZQH-UHFFFAOYSA-N -2 0 393.392 2.749 20 0 GFADRL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000833741280 605126548 /nfs/dbraw/zinc/12/65/48/605126548.db2.gz FXFVMAHQXDONCS-UHFFFAOYSA-N -3 0 375.811 2.907 20 0 GFADRL CC(C)(C(=O)[O-])c1ccc(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cc1 ZINC000485279926 605164889 /nfs/dbraw/zinc/16/48/89/605164889.db2.gz AOJWXPFDFVMSSQ-UHFFFAOYSA-N -2 0 381.381 2.687 20 0 GFADRL CC(C)c1nc(-c2ccccc2[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)n[nH]1 ZINC000833511374 605185419 /nfs/dbraw/zinc/18/54/19/605185419.db2.gz OEKSFGPOOBFWMG-UHFFFAOYSA-N -2 0 376.394 2.687 20 0 GFADRL COc1ccc(O)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC(C)C)c1 ZINC000540501948 605238952 /nfs/dbraw/zinc/23/89/52/605238952.db2.gz ZFSDRJLFIPVOST-UHFFFAOYSA-N -2 0 381.406 2.687 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(NC(=O)[O-])c(C)c2)cc1N(C)C ZINC000829962022 605426194 /nfs/dbraw/zinc/42/61/94/605426194.db2.gz RQIZGZXDAXKUAZ-UHFFFAOYSA-N -2 0 391.449 2.578 20 0 GFADRL CCCN(C(=O)c1nn(-c2ccc(F)cc2)cc1[O-])C1CCN(C(=O)[O-])CC1 ZINC000826886838 605821168 /nfs/dbraw/zinc/82/11/68/605821168.db2.gz ASMKMKYAANBESE-UHFFFAOYSA-N -2 0 390.415 2.712 20 0 GFADRL O=S(=O)([N-]c1ccnn1C1CCCC1)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826493170 609529617 /nfs/dbraw/zinc/52/96/17/609529617.db2.gz WVNZQFAQJSJVHH-UHFFFAOYSA-N -2 0 393.860 2.633 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2-n2cncn2)sc1C(=O)[O-] ZINC000042792907 654644920 /nfs/dbraw/zinc/64/49/20/654644920.db2.gz GJDCPPNLBIZNJO-UHFFFAOYSA-N -2 0 398.853 2.790 20 0 GFADRL CNC(=O)c1cc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)ccc1Cl ZINC000048382743 654705824 /nfs/dbraw/zinc/70/58/24/654705824.db2.gz XUYSLGRSUJIAMI-UHFFFAOYSA-N -2 0 388.854 2.569 20 0 GFADRL O=C([O-])c1ccc(Br)c(S(=O)(=O)[N-]c2cccc3n[nH]cc32)c1 ZINC000320160976 655382106 /nfs/dbraw/zinc/38/21/06/655382106.db2.gz KXNDEXCURPBHCK-UHFFFAOYSA-N -2 0 396.222 2.824 20 0 GFADRL Cc1cc(S(=O)(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc(C(=O)[O-])c1Cl ZINC000759094151 655947416 /nfs/dbraw/zinc/94/74/16/655947416.db2.gz JCOHEVAVJBUJNH-UHFFFAOYSA-N -2 0 387.772 2.985 20 0 GFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2cnn(CC(C)C)c2)cc1C(=O)[O-] ZINC000790395774 657967750 /nfs/dbraw/zinc/96/77/50/657967750.db2.gz YMNOELWHBFWCES-UHFFFAOYSA-N -2 0 387.845 2.700 20 0 GFADRL CCc1oncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1Br ZINC000800844114 659338681 /nfs/dbraw/zinc/33/86/81/659338681.db2.gz FGCBJRDXWNHBAI-UHFFFAOYSA-N -2 0 389.227 2.807 20 0 GFADRL C[C@H]1CCN(c2ncc(C(=O)[O-])cc2Cl)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000843035341 661365100 /nfs/dbraw/zinc/36/51/00/661365100.db2.gz ITBPROWCZBPVPJ-LAEOZQHASA-N -2 0 379.766 2.715 20 0 GFADRL O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1cc(F)ccc1Cl ZINC000852732708 661872436 /nfs/dbraw/zinc/87/24/36/661872436.db2.gz GKAMBJCNRWSPLP-RYUDHWBXSA-N -2 0 382.741 2.575 20 0 GFADRL O=C([O-])[C@H](C(=O)[N-]S(=O)(=O)c1cc(Cl)sc1Cl)C1CCCC1 ZINC000863953222 662350783 /nfs/dbraw/zinc/35/07/83/662350783.db2.gz LXBVDLYSSNPDEN-VIFPVBQESA-N -2 0 386.278 2.751 20 0 GFADRL C[C@H](CCC[N-]S(=O)(=O)c1oc2ccccc2c1Br)C(=O)[O-] ZINC000864431486 662370576 /nfs/dbraw/zinc/37/05/76/662370576.db2.gz RSTGUZXHRGOSCT-SECBINFHSA-N -2 0 390.255 2.975 20 0 GFADRL O=S(=O)(CCOCC1CC1)[N-]c1c([O-])cc(Br)cc1Cl ZINC000905103805 663853348 /nfs/dbraw/zinc/85/33/48/663853348.db2.gz FAUPLDQBAYXIDF-UHFFFAOYSA-N -2 0 384.679 2.976 20 0 GFADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@H](C(=O)[O-])c1csc(Br)c1 ZINC000906003235 663907559 /nfs/dbraw/zinc/90/75/59/663907559.db2.gz AWIYEVJHWVQZSJ-FBCQKBJTSA-N -2 0 396.206 2.507 20 0 GFADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2ccc(C3SCCS3)cc2)C1 ZINC000910186223 664198336 /nfs/dbraw/zinc/19/83/36/664198336.db2.gz ONOAFYMEZQLPRO-OLZOCXBDSA-N -2 0 381.475 2.555 20 0 GFADRL COC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2cc(Cl)ccc2C(=O)[O-])c1 ZINC000920314206 664524849 /nfs/dbraw/zinc/52/48/49/664524849.db2.gz PCMJNUFRVMPKTJ-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL Cc1nc(Br)ccc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000389752911 677408455 /nfs/dbraw/zinc/40/84/55/677408455.db2.gz QLVSMQBUPCFBJS-UHFFFAOYSA-N -2 0 389.202 2.791 20 0 GFADRL COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)c1 ZINC000392241577 677409804 /nfs/dbraw/zinc/40/98/04/677409804.db2.gz NQPMFLURCJTGPE-UHFFFAOYSA-N -2 0 383.809 2.555 20 0 GFADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2sccc2Br)c1O ZINC000124654635 551316127 /nfs/dbraw/zinc/31/61/27/551316127.db2.gz SSSSMLKWPJFMAG-UHFFFAOYSA-N -2 0 378.225 2.715 20 0 GFADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccn(CC(F)(F)F)n1 ZINC000160217485 551577387 /nfs/dbraw/zinc/57/73/87/551577387.db2.gz PJXHRCHHISQIBC-UHFFFAOYSA-N -2 0 377.344 2.507 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2CCCC(=O)[O-])cs1 ZINC000281979819 563393000 /nfs/dbraw/zinc/39/30/00/563393000.db2.gz UYESREOGDTZDHJ-UHFFFAOYSA-N -2 0 383.447 2.743 20 0 GFADRL COc1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c(OC)cc1Cl ZINC000320691346 563447201 /nfs/dbraw/zinc/44/72/01/563447201.db2.gz OGYYGSSHYVIHAQ-UHFFFAOYSA-N -2 0 377.827 2.918 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3)c(Cl)c1 ZINC000327921782 563460206 /nfs/dbraw/zinc/46/02/06/563460206.db2.gz LQJZMCMQRXOGBG-UHFFFAOYSA-N -2 0 380.809 2.724 20 0 GFADRL COc1cc(OC)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1Cl ZINC000393103229 563528434 /nfs/dbraw/zinc/52/84/34/563528434.db2.gz PMJWXTKPLMTKQT-UHFFFAOYSA-N -2 0 389.788 2.995 20 0 GFADRL COc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)c(OC)cc1Cl ZINC000393070933 563528452 /nfs/dbraw/zinc/52/84/52/563528452.db2.gz MGJJEHGLJLRGNO-UHFFFAOYSA-N -2 0 389.788 2.995 20 0 GFADRL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(C)c1C(F)(F)F ZINC000436176643 563666234 /nfs/dbraw/zinc/66/62/34/563666234.db2.gz INTIWEXBAJMDEL-UHFFFAOYSA-N -2 0 397.762 2.900 20 0 GFADRL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)N(C)c1ccc(C(=O)[O-])cc1 ZINC000437672420 563698336 /nfs/dbraw/zinc/69/83/36/563698336.db2.gz JVVDPYBSWZVWSB-UHFFFAOYSA-N -2 0 383.809 2.870 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2-c2nc[nH]n2)ccc1Cl ZINC000362672712 563708528 /nfs/dbraw/zinc/70/85/28/563708528.db2.gz ZIAFGMLVNPEQJB-UHFFFAOYSA-N -2 0 378.797 2.624 20 0 GFADRL O=S(=O)([N-]c1ccc(-c2nn[nH]n2)cc1)c1ccc(Br)c(F)c1 ZINC000438755301 563709716 /nfs/dbraw/zinc/70/97/16/563709716.db2.gz RSJWCOCGSIWTHN-UHFFFAOYSA-N -2 0 398.217 2.569 20 0 GFADRL O=C([O-])c1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cc(Cl)cc(F)c2F)c1 ZINC000442239294 563769984 /nfs/dbraw/zinc/76/99/84/563769984.db2.gz CPHWOYJRKYYONF-UHFFFAOYSA-N -2 0 391.735 2.815 20 0 GFADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000443363694 563802711 /nfs/dbraw/zinc/80/27/11/563802711.db2.gz XJFHMQQKURIIRR-UHFFFAOYSA-N -3 0 385.419 2.734 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2OC)cc1CC(=O)[O-] ZINC000539239676 564214989 /nfs/dbraw/zinc/21/49/89/564214989.db2.gz YSJXTMOJXRGBRV-UHFFFAOYSA-N -2 0 385.825 2.785 20 0 GFADRL CCn1cc(S(=O)(=O)[N-]c2cc(Cl)cnc2OC(C)C)cc1C(=O)[O-] ZINC000451096896 564273969 /nfs/dbraw/zinc/27/39/69/564273969.db2.gz QFEZIHFVQWJGGW-UHFFFAOYSA-N -2 0 387.845 2.843 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)[O-])cs1 ZINC000541802132 564290068 /nfs/dbraw/zinc/29/00/68/564290068.db2.gz WUNSMNXGVDIKSC-UHFFFAOYSA-N -2 0 375.811 2.687 20 0 GFADRL COc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])c(F)c1 ZINC000509576975 564304973 /nfs/dbraw/zinc/30/49/73/564304973.db2.gz JFSKOQPJEBANGA-UHFFFAOYSA-N -2 0 389.788 2.752 20 0 GFADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000512740110 564409564 /nfs/dbraw/zinc/40/95/64/564409564.db2.gz YLZSGKBBJKNUOS-UHFFFAOYSA-N -3 0 387.772 2.985 20 0 GFADRL CC(C)n1ccc([N-]S(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2)n1 ZINC000479269398 564433853 /nfs/dbraw/zinc/43/38/53/564433853.db2.gz UAOJOMNAHQNXQS-UHFFFAOYSA-N -2 0 388.243 2.726 20 0 GFADRL COC(=O)c1cc(C)ccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(Cl)c1 ZINC000513812482 564439563 /nfs/dbraw/zinc/43/95/63/564439563.db2.gz LRDMHEYVHIUHAI-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000547602452 564501838 /nfs/dbraw/zinc/50/18/38/564501838.db2.gz ZZVVPMKLFWOYEG-UHFFFAOYSA-N -2 0 381.753 2.619 20 0 GFADRL COc1cc(OC)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)cc1Cl ZINC000481456681 564512460 /nfs/dbraw/zinc/51/24/60/564512460.db2.gz ZEBGWYIKUFCCFC-UHFFFAOYSA-N -2 0 387.797 2.562 20 0 GFADRL COC(=O)Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(C)cc2C)s1 ZINC000547874159 564515202 /nfs/dbraw/zinc/51/52/02/564515202.db2.gz PSQIUDILAXUFDK-UHFFFAOYSA-N -2 0 383.447 2.579 20 0 GFADRL Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000548198802 564535609 /nfs/dbraw/zinc/53/56/09/564535609.db2.gz AXFSWEWXKGSWCP-UHFFFAOYSA-N -2 0 378.175 2.989 20 0 GFADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-]c1ccc(Br)c(C(=O)[O-])c1 ZINC000548262151 564544580 /nfs/dbraw/zinc/54/45/80/564544580.db2.gz ZXFLKUMYGACWPZ-YFKPBYRVSA-N -2 0 376.150 2.840 20 0 GFADRL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl ZINC000484585691 564591819 /nfs/dbraw/zinc/59/18/19/564591819.db2.gz QIFXWDIXBJWAHB-UHFFFAOYSA-N -2 0 382.781 2.582 20 0 GFADRL Cc1oc(S(=O)(=O)[N-][C@@H](Cc2ccccc2)C(F)(F)F)cc1C(=O)[O-] ZINC000579349804 564747225 /nfs/dbraw/zinc/74/72/25/564747225.db2.gz QUHQTQKFDYXXFY-LBPRGKRZSA-N -2 0 377.340 2.738 20 0 GFADRL COCCn1ccc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)cc21 ZINC000557097167 564854343 /nfs/dbraw/zinc/85/43/43/564854343.db2.gz HUFQREXMCUSCAC-UHFFFAOYSA-N -2 0 380.447 2.848 20 0 GFADRL CC[C@H](Cc1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1)C(=O)[O-] ZINC000463788051 564890120 /nfs/dbraw/zinc/89/01/20/564890120.db2.gz IMLWHAJLWXMNRC-LLVKDONJSA-N -3 0 383.447 2.900 20 0 GFADRL O=C([O-])c1cc(Br)cc(S(=O)(=O)[N-]c2cccc3c[nH]nc32)c1 ZINC000560260449 564955316 /nfs/dbraw/zinc/95/53/16/564955316.db2.gz CCTJHSTXHLPQKN-UHFFFAOYSA-N -2 0 396.222 2.824 20 0 GFADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000533690879 564969901 /nfs/dbraw/zinc/96/99/01/564969901.db2.gz BAOJPTVCFKOESR-UHFFFAOYSA-N -2 0 379.287 2.751 20 0 GFADRL CSc1cc2c(cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C)OCCO2 ZINC000467754051 564971232 /nfs/dbraw/zinc/97/12/32/564971232.db2.gz MPQVRLCERJJTFM-UHFFFAOYSA-N -2 0 385.419 2.580 20 0 GFADRL CCn1cc(S(=O)(=O)[N-]c2cc(F)ccc2OC(F)F)cc1C(=O)[O-] ZINC000504260189 565037024 /nfs/dbraw/zinc/03/70/24/565037024.db2.gz LWMNPWQSCXIJEB-UHFFFAOYSA-N -2 0 378.328 2.748 20 0 GFADRL O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000588626118 565134407 /nfs/dbraw/zinc/13/44/07/565134407.db2.gz QLKBRWRYUDJTKH-UHFFFAOYSA-N -2 0 387.772 2.749 20 0 GFADRL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cc(F)c(Br)cc1F)C1CCC1 ZINC000663255901 565404109 /nfs/dbraw/zinc/40/41/09/565404109.db2.gz TYTZPKFBSFCLFG-MRVPVSSYSA-N -2 0 398.225 2.507 20 0 GFADRL CO[C@@H](CS(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1[O-])C1CCOCC1 ZINC000647129488 565639627 /nfs/dbraw/zinc/63/96/27/565639627.db2.gz COOHQMHGSUNBLV-ZDUSSCGKSA-N -2 0 384.281 2.882 20 0 GFADRL COc1ncc(S(=O)(=O)[N-]c2ccc(C[C@H](C)C(=O)[O-])cc2)cc1Cl ZINC000647130300 565640405 /nfs/dbraw/zinc/64/04/05/565640405.db2.gz OXIVYGSJGPSRBA-JTQLQIEISA-N -2 0 384.841 2.808 20 0 GFADRL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)Nc1ccccc1CC(=O)[O-] ZINC000820940071 597513430 /nfs/dbraw/zinc/51/34/30/597513430.db2.gz CPLPIOBGKXHRSF-UHFFFAOYSA-N -2 0 383.809 2.775 20 0 GFADRL COC(=O)c1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000737689388 599737739 /nfs/dbraw/zinc/73/77/39/599737739.db2.gz XHCLRTCZLAGKAI-UHFFFAOYSA-N -2 0 393.295 2.584 20 0 GFADRL CCC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000736859673 599737758 /nfs/dbraw/zinc/73/77/58/599737758.db2.gz ZQSNLMIUCZNKIY-UHFFFAOYSA-N -2 0 380.422 2.697 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccnn2[C@H]2CCCc3ccccc32)o1 ZINC000740186978 599740294 /nfs/dbraw/zinc/74/02/94/599740294.db2.gz ASNUQBSTUKOEPH-AWEZNQCLSA-N -2 0 387.417 2.901 20 0 GFADRL Cc1c[nH]c(=O)n1-c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000588774135 599801260 /nfs/dbraw/zinc/80/12/60/599801260.db2.gz RIOKCMFEZCODPS-UHFFFAOYSA-N -2 0 387.417 2.694 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)c(C(=O)[O-])s1 ZINC000737681484 599813859 /nfs/dbraw/zinc/81/38/59/599813859.db2.gz REPCLCYPZRJQMJ-UHFFFAOYSA-N -2 0 383.447 2.959 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)c(C(=O)[O-])s1 ZINC000737682281 599814180 /nfs/dbraw/zinc/81/41/80/599814180.db2.gz ZADVUOHTEKBSGK-UHFFFAOYSA-N -2 0 389.838 2.996 20 0 GFADRL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)c(OC)c1C ZINC000737716714 599814305 /nfs/dbraw/zinc/81/43/05/599814305.db2.gz DYJKEZZXUBUNBE-UHFFFAOYSA-N -2 0 399.446 2.659 20 0 GFADRL Cc1nc(COc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)cc2)no1 ZINC000521712716 599838575 /nfs/dbraw/zinc/83/85/75/599838575.db2.gz LDNQSUFEBWTAFJ-UHFFFAOYSA-N -2 0 395.418 2.518 20 0 GFADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)N1CCCc2c(C(=O)[O-])cccc21 ZINC000738992809 599851589 /nfs/dbraw/zinc/85/15/89/599851589.db2.gz HWLRIQBHPGJEMN-UHFFFAOYSA-N -2 0 381.431 2.594 20 0 GFADRL O=C([O-])CCc1ccc(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc1 ZINC000739767632 599854167 /nfs/dbraw/zinc/85/41/67/599854167.db2.gz WJOGJNPMYRDFPJ-UHFFFAOYSA-N -2 0 377.418 2.522 20 0 GFADRL CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)c(F)c1 ZINC000736165543 599854448 /nfs/dbraw/zinc/85/44/48/599854448.db2.gz PDWFSESXBCNVGY-UHFFFAOYSA-N -2 0 380.397 2.602 20 0 GFADRL CC1=C(C(=O)[O-])[C@H](c2cccc(O[C@@H](C)C(=O)[O-])c2)NC(=O)N1CC(C)C ZINC000736750996 599984306 /nfs/dbraw/zinc/98/43/06/599984306.db2.gz NHZOMXHVLCYULL-LRDDRELGSA-N -2 0 376.409 2.619 20 0 GFADRL Cc1cccc(S(=O)(=O)[N-]c2ccnn2Cc2ccccc2F)c1C(=O)[O-] ZINC000738746148 599998223 /nfs/dbraw/zinc/99/82/23/599998223.db2.gz DTSHCGOGOOHTSD-UHFFFAOYSA-N -2 0 389.408 2.878 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)n(-c2ccc(F)cc2)n1 ZINC000738240369 600053802 /nfs/dbraw/zinc/05/38/02/600053802.db2.gz OOTFZQKPDKMVTQ-UHFFFAOYSA-N -2 0 375.381 2.819 20 0 GFADRL O=C([O-])CCSCc1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000739753183 600070124 /nfs/dbraw/zinc/07/01/24/600070124.db2.gz DLHHXUIRTOIFLP-UHFFFAOYSA-N -2 0 395.458 2.894 20 0 GFADRL CC(C)n1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Br)cn1 ZINC000314947185 600098706 /nfs/dbraw/zinc/09/87/06/600098706.db2.gz BVYLPPDUAPBXMS-UHFFFAOYSA-N -2 0 388.243 2.726 20 0 GFADRL COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1ccc(F)c(NC(=O)[O-])c1 ZINC000737648927 600100829 /nfs/dbraw/zinc/10/08/29/600100829.db2.gz IECIFYARALVUQJ-UHFFFAOYSA-N -2 0 382.369 2.811 20 0 GFADRL COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]c1ccc(F)c(NC(=O)[O-])c1 ZINC000737649342 600101019 /nfs/dbraw/zinc/10/10/19/600101019.db2.gz JMLOPUHSFIUFQZ-UHFFFAOYSA-N -2 0 386.357 2.713 20 0 GFADRL COCc1cccc(S(=O)(=O)[N-]c2nc3nc(C)cc(C(=O)[O-])c3s2)c1 ZINC000737834743 600101653 /nfs/dbraw/zinc/10/16/53/600101653.db2.gz HBQZJKUJPCOOSL-UHFFFAOYSA-N -2 0 393.446 2.645 20 0 GFADRL Cc1ccc(Cn2nccc2[N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])o1 ZINC000738605246 600102395 /nfs/dbraw/zinc/10/23/95/600102395.db2.gz TUAQONFKFZHZTG-UHFFFAOYSA-N -2 0 395.824 2.985 20 0 GFADRL O=C([O-])[C@H](CNC(=O)c1cccc(Br)c1[O-])Cc1cccc(F)c1 ZINC000739401589 600103035 /nfs/dbraw/zinc/10/30/35/600103035.db2.gz DDZVQHGGJNHSJI-NSHDSACASA-N -2 0 396.212 2.967 20 0 GFADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Br)cc2F)nc1 ZINC000738632530 600204096 /nfs/dbraw/zinc/20/40/96/600204096.db2.gz GIGKCVRVNDBJFJ-UHFFFAOYSA-N -2 0 389.202 2.791 20 0 GFADRL CC(C)NC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cc1 ZINC000736478151 600233313 /nfs/dbraw/zinc/23/33/13/600233313.db2.gz UIBSUJBDUKDHON-UHFFFAOYSA-N -2 0 398.387 2.602 20 0 GFADRL Cc1nc(C)c([C@@H]2NC(=O)N(CCCCCC(=O)[O-])C(C)=C2C(=O)[O-])s1 ZINC000736745168 600253758 /nfs/dbraw/zinc/25/37/58/600253758.db2.gz BEULCCUDZWIANZ-CQSZACIVSA-N -2 0 381.454 2.830 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OCC(F)(F)F)o1 ZINC000740177606 600258625 /nfs/dbraw/zinc/25/86/25/600258625.db2.gz LXIHLGDGKJOJCK-UHFFFAOYSA-N -2 0 383.275 2.859 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(CNC(=O)[O-])cc2)c1C ZINC000738346271 600303051 /nfs/dbraw/zinc/30/30/51/600303051.db2.gz ZUGNUXQJUJOBBC-UHFFFAOYSA-N -2 0 378.406 2.570 20 0 GFADRL CCOC(=O)Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000489780033 600395837 /nfs/dbraw/zinc/39/58/37/600395837.db2.gz ZOOMJZWFBDGYAY-UHFFFAOYSA-N -2 0 397.836 2.945 20 0 GFADRL CN1CCCc2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(F)cc3F)ccc21 ZINC000737518113 600423523 /nfs/dbraw/zinc/42/35/23/600423523.db2.gz NPCFPTIDNGYGLU-UHFFFAOYSA-N -2 0 382.388 2.846 20 0 GFADRL COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(OCCCC(=O)[O-])cc2)c1 ZINC000738049095 600489044 /nfs/dbraw/zinc/48/90/44/600489044.db2.gz VKLUUIAWJWSKPG-UHFFFAOYSA-N -2 0 395.433 2.748 20 0 GFADRL CC(C)(CC(=O)[O-])CC(=O)Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])c1 ZINC000736310893 600503769 /nfs/dbraw/zinc/50/37/69/600503769.db2.gz ZALNNGOORRJQSZ-OAHLLOKOSA-N -2 0 390.436 2.595 20 0 GFADRL CCOC(=O)CCc1ccc([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])cc1 ZINC000737137477 600545753 /nfs/dbraw/zinc/54/57/53/600545753.db2.gz AMIDXCUKPWZENJ-UHFFFAOYSA-N -2 0 395.433 2.891 20 0 GFADRL Cc1cc(C)n(-c2ccccc2[N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)n1 ZINC000174998613 600626183 /nfs/dbraw/zinc/62/61/83/600626183.db2.gz UZKAXRYUOGJRGO-UHFFFAOYSA-N -2 0 385.445 2.917 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)Cc2c[nH]c3ccc(Cl)cc23)s1 ZINC000739339497 600658250 /nfs/dbraw/zinc/65/82/50/600658250.db2.gz WMTCHSBJGJXIRI-UHFFFAOYSA-N -2 0 398.849 2.629 20 0 GFADRL CCOC(=O)/C=C/c1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1 ZINC000327636855 600672130 /nfs/dbraw/zinc/67/21/30/600672130.db2.gz RNSVKFXERUUYES-VMPITWQZSA-N -2 0 381.431 2.823 20 0 GFADRL COCc1cccc([C@@H]2NC(=O)N(CCCCC(=O)[O-])C(C)=C2C(=O)[O-])c1 ZINC000831817116 600783962 /nfs/dbraw/zinc/78/39/62/600783962.db2.gz BOASMJWPUWMFJQ-KRWDZBQOSA-N -2 0 376.409 2.513 20 0 GFADRL COC(=O)c1sc(S(=O)(=O)[N-]c2cccc(F)c2C)c(C(=O)[O-])c1C ZINC000831479816 600818038 /nfs/dbraw/zinc/81/80/38/600818038.db2.gz UPJHNCMSFZAPNG-UHFFFAOYSA-N -2 0 387.410 2.790 20 0 GFADRL NC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000739177400 600890099 /nfs/dbraw/zinc/89/00/99/600890099.db2.gz NJSJMWRCJLHDFU-UHFFFAOYSA-N -2 0 389.216 2.591 20 0 GFADRL CC(C)n1cc(S(=O)(=O)[N-]c2cccc(CSCCC(=O)[O-])c2)cn1 ZINC000736533474 600893101 /nfs/dbraw/zinc/89/31/01/600893101.db2.gz YKSFGHVNDJMJII-UHFFFAOYSA-N -2 0 383.495 2.973 20 0 GFADRL COC(=O)c1ccc(OC)cc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000737699591 600893299 /nfs/dbraw/zinc/89/32/99/600893299.db2.gz GPVCEHNAEYVBGI-UHFFFAOYSA-N -2 0 399.808 2.634 20 0 GFADRL COC(=O)c1csc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)c1 ZINC000266485440 600898778 /nfs/dbraw/zinc/89/87/78/600898778.db2.gz UPLRRBKSNOALOQ-UHFFFAOYSA-N -2 0 383.447 2.698 20 0 GFADRL Cc1ccc(-n2[n-]c(C(=O)Nc3ccc(OCCC(=O)[O-])cc3)cc2=O)cc1 ZINC000832909264 600917217 /nfs/dbraw/zinc/91/72/17/600917217.db2.gz AJNRXHNXJGIKPJ-UHFFFAOYSA-N -2 0 381.388 2.580 20 0 GFADRL Cn1c(C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)ccc1-c1ccccc1 ZINC000833038380 600943874 /nfs/dbraw/zinc/94/38/74/600943874.db2.gz FCBCTWIDWOAOMI-UHFFFAOYSA-N -2 0 398.440 2.650 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(-c3cn4c(n3)CCCC4)c2)c[nH]1 ZINC000833306040 600979663 /nfs/dbraw/zinc/97/96/63/600979663.db2.gz SWNACZAXYZJFGR-UHFFFAOYSA-N -2 0 386.433 2.714 20 0 GFADRL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2ncccc2OC(F)F)c1 ZINC000833297800 600981853 /nfs/dbraw/zinc/98/18/53/600981853.db2.gz VMLDHQFSRGHONQ-UHFFFAOYSA-N -2 0 378.740 2.835 20 0 GFADRL Cc1ccccc1-c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)n(C)n1 ZINC000832973413 600995907 /nfs/dbraw/zinc/99/59/07/600995907.db2.gz AZPVNGZWTJNQME-UHFFFAOYSA-N -2 0 377.447 2.956 20 0 GFADRL Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)CCC(=O)[O-])cc1 ZINC000832919161 601127483 /nfs/dbraw/zinc/12/74/83/601127483.db2.gz WLLZORUMMUALHL-UHFFFAOYSA-N -2 0 391.401 2.542 20 0 GFADRL C[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)c1ccc(Cl)s1 ZINC000826009244 601142092 /nfs/dbraw/zinc/14/20/92/601142092.db2.gz UJHMIOOQTJDPRO-ZCFIWIBFSA-N -2 0 379.868 2.770 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cc(OC)c(OC)cc1C ZINC000831967262 601150285 /nfs/dbraw/zinc/15/02/85/601150285.db2.gz VQXCSAIUBKGRQF-UHFFFAOYSA-N -2 0 387.435 2.581 20 0 GFADRL O=C([O-])[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000833184203 601235271 /nfs/dbraw/zinc/23/52/71/601235271.db2.gz ODWHUJUKUAGCKI-DTWKUNHWSA-N -2 0 380.249 2.689 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-c2nccc(C)n2)cc1 ZINC000582685602 601330714 /nfs/dbraw/zinc/33/07/14/601330714.db2.gz ILOLWUINVJWMAS-UHFFFAOYSA-N -2 0 399.428 2.960 20 0 GFADRL COc1cccnc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000832633862 601360387 /nfs/dbraw/zinc/36/03/87/601360387.db2.gz YSCWKHGTQUCOPN-UHFFFAOYSA-N -2 0 377.205 2.896 20 0 GFADRL CC[C@](C)(CC(=O)[O-])NC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000767056042 601471408 /nfs/dbraw/zinc/47/14/08/601471408.db2.gz NYUWKJLACZKTJL-QGZVFWFLSA-N -2 0 396.490 2.922 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2csnc2C(=O)[O-])ccc1OC1CCOCC1 ZINC000832899019 601485117 /nfs/dbraw/zinc/48/51/17/601485117.db2.gz NDHYFMQCNCYDTK-UHFFFAOYSA-N -2 0 398.462 2.508 20 0 GFADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1cc(-c2cccc(Cl)c2)[nH]n1 ZINC000833344881 601487918 /nfs/dbraw/zinc/48/79/18/601487918.db2.gz GGKXHQXSJFSEBH-UHFFFAOYSA-N -2 0 384.826 2.686 20 0 GFADRL Cc1cc(C)cc(-c2cc([N-]S(=O)(=O)c3csnc3C(=O)[O-])n[nH]2)c1 ZINC000832874533 601488224 /nfs/dbraw/zinc/48/82/24/601488224.db2.gz IVCUUOSQEXNUTG-UHFFFAOYSA-N -2 0 378.435 2.649 20 0 GFADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2ccncc21 ZINC000831373600 601492303 /nfs/dbraw/zinc/49/23/03/601492303.db2.gz JCIJUJYDUSZGTR-UHFFFAOYSA-N -2 0 386.385 2.520 20 0 GFADRL Cc1cc(C(=O)[N-]S(=O)(=O)[C@H](C)c2ccccc2)cc(C)c1OCC(=O)[O-] ZINC000832864953 601500980 /nfs/dbraw/zinc/50/09/80/601500980.db2.gz YDRDKDOIHKSPSN-CQSZACIVSA-N -2 0 391.445 2.588 20 0 GFADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000829527910 601575607 /nfs/dbraw/zinc/57/56/07/601575607.db2.gz MNXGPDLZOLJKRP-UHFFFAOYSA-N -3 0 383.378 2.574 20 0 GFADRL Cc1cc(Br)ncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000832858873 601576564 /nfs/dbraw/zinc/57/65/64/601576564.db2.gz JXTVAUOWMXNIQP-UHFFFAOYSA-N -2 0 389.202 2.791 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(-c2ccccc2C)[nH]n1 ZINC000444419674 601603878 /nfs/dbraw/zinc/60/38/78/601603878.db2.gz ATLUTKOUDTZGDA-UHFFFAOYSA-N -2 0 387.417 2.893 20 0 GFADRL CC[C@H](NC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C)ccc1C)C(=O)[O-] ZINC000262556254 601751071 /nfs/dbraw/zinc/75/10/71/601751071.db2.gz YGGSJZZSQBFTMK-HNNXBMFYSA-N -2 0 390.461 2.697 20 0 GFADRL CCOc1ccc2nc([N-]S(=O)(=O)c3csnc3C(=O)[O-])sc2c1 ZINC000830094538 601767070 /nfs/dbraw/zinc/76/70/70/601767070.db2.gz KTNHQAHMUZDKLC-UHFFFAOYSA-N -2 0 385.448 2.651 20 0 GFADRL CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc(CCCC(=O)[O-])cs2)cc1 ZINC000828570352 601770990 /nfs/dbraw/zinc/77/09/90/601770990.db2.gz ARNKLMPVSAGQIW-UHFFFAOYSA-N -2 0 397.478 2.700 20 0 GFADRL Cc1ccn2c(c1)nnc2[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000832982693 601771384 /nfs/dbraw/zinc/77/13/84/601771384.db2.gz QVXAGRGQWNLRQZ-UHFFFAOYSA-N -2 0 388.430 2.751 20 0 GFADRL CNC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000741200410 601830076 /nfs/dbraw/zinc/83/00/76/601830076.db2.gz CETLWHZVPNIVMD-UHFFFAOYSA-N -2 0 382.825 2.507 20 0 GFADRL CCC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC000828611732 601836609 /nfs/dbraw/zinc/83/66/09/601836609.db2.gz CKDHAVGJCSAZOO-UHFFFAOYSA-N -2 0 397.478 2.561 20 0 GFADRL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1nc(CN2CCCCC2)cs1 ZINC000833293595 601847730 /nfs/dbraw/zinc/84/77/30/601847730.db2.gz DMFNSCBCKQQFGJ-UHFFFAOYSA-N -2 0 399.469 2.767 20 0 GFADRL CC(C)(c1nnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)s1)c1ccccc1 ZINC000826642155 602104751 /nfs/dbraw/zinc/10/47/51/602104751.db2.gz QPRIUPSIXPNIQL-UHFFFAOYSA-N -2 0 393.446 2.956 20 0 GFADRL CCc1cccc(CC)c1S(=O)(=O)[N-]c1nnc(CCCC(=O)[O-])s1 ZINC000830265593 602106252 /nfs/dbraw/zinc/10/62/52/602106252.db2.gz FNISWBVUTLABHM-UHFFFAOYSA-N -2 0 383.495 2.871 20 0 GFADRL CCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1cc(C)c(C)c(C(=O)[O-])c1 ZINC000829740007 602114602 /nfs/dbraw/zinc/11/46/02/602114602.db2.gz BSASGMUQAATIEK-UHFFFAOYSA-N -2 0 377.418 2.915 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)nc2)c(F)cc1Br ZINC000165786979 602156589 /nfs/dbraw/zinc/15/65/89/602156589.db2.gz CNAQPDDOTGMYMJ-UHFFFAOYSA-N -2 0 393.165 2.621 20 0 GFADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-][C@@H](Cc2ccccc2)C(F)(F)F)c1 ZINC000833318678 602213492 /nfs/dbraw/zinc/21/34/92/602213492.db2.gz BWDOSTLPNAWVAA-AWEZNQCLSA-N -2 0 391.342 2.976 20 0 GFADRL O=C([O-])c1cccc(CS(=O)(=O)[N-][C@H](Cc2ccccc2)C(F)(F)F)c1 ZINC000833329694 602214724 /nfs/dbraw/zinc/21/47/24/602214724.db2.gz QYUGXINNNGDLAU-OAHLLOKOSA-N -2 0 387.379 2.978 20 0 GFADRL O=C([O-])c1nc(Cl)ccc1S(=O)(=O)[N-]c1ccccc1OCC(F)F ZINC000833344717 602321844 /nfs/dbraw/zinc/32/18/44/602321844.db2.gz GXRSYMFJPVFRRH-UHFFFAOYSA-N -2 0 392.767 2.878 20 0 GFADRL COc1ccc(NC(=O)[O-])c([N-]S(=O)(=O)c2cc(OC)ccc2OC)c1 ZINC000739923347 602652139 /nfs/dbraw/zinc/65/21/39/602652139.db2.gz GTRIARNKFYHOQM-UHFFFAOYSA-N -2 0 382.394 2.603 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]C(=O)CC[C@H](NC(=O)[O-])c2ccccc2)cc1C ZINC000740146361 602670244 /nfs/dbraw/zinc/67/02/44/602670244.db2.gz FPZYJOILDZWSMF-KRWDZBQOSA-N -2 0 390.461 2.897 20 0 GFADRL C[C@@H](NC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1 ZINC000825448642 603402306 /nfs/dbraw/zinc/40/23/06/603402306.db2.gz GGRUQEWJSYIPHD-SECBINFHSA-N -3 0 382.369 2.653 20 0 GFADRL C[C@@H]1CN(C(=O)c2cc(Br)cc(Cl)c2[O-])CC[C@@H]1NC(=O)[O-] ZINC000826033819 603545425 /nfs/dbraw/zinc/54/54/25/603545425.db2.gz BRFYOXSMGREPGU-HQJQHLMTSA-N -2 0 391.649 2.926 20 0 GFADRL CCc1ccccc1-n1cc([O-])c(C(=O)N2CCC([C@H](C)NC(=O)[O-])CC2)n1 ZINC000827599608 603839323 /nfs/dbraw/zinc/83/93/23/603839323.db2.gz HSROWMWVIXEEIL-ZDUSSCGKSA-N -2 0 386.452 2.649 20 0 GFADRL CCc1ccccc1-n1cc([O-])c(C(=O)N2CCC[C@@H]([C@H](C)NC(=O)[O-])C2)n1 ZINC000827599268 604298071 /nfs/dbraw/zinc/29/80/71/604298071.db2.gz GPAJJFKUOFAEOR-DZGCQCFKSA-N -2 0 386.452 2.649 20 0 GFADRL Cc1cc(C)cc(-c2nnc([N-]S(=O)(=O)c3cc(C(=O)[O-])n(C)c3)s2)c1 ZINC000832873780 604402469 /nfs/dbraw/zinc/40/24/69/604402469.db2.gz ATVJLNHYSDETTK-UHFFFAOYSA-N -2 0 392.462 2.659 20 0 GFADRL CC(C)[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)c1ccc(F)cc1 ZINC000833465873 604607807 /nfs/dbraw/zinc/60/78/07/604607807.db2.gz OTKYQQORHOXZPU-CQSZACIVSA-N -2 0 385.438 2.830 20 0 GFADRL CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2nc(CCC(=O)[O-])cs2)c1 ZINC000825951435 604623310 /nfs/dbraw/zinc/62/33/10/604623310.db2.gz IWBABUMWAOHLQU-UHFFFAOYSA-N -2 0 388.854 2.817 20 0 GFADRL O=C([O-])c1cc(NS(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)ccc1F ZINC000767735494 604631472 /nfs/dbraw/zinc/63/14/72/604631472.db2.gz HJRBJHCWCUTSDB-UHFFFAOYSA-N -2 0 391.735 2.815 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)N2C[C@H](C(=O)[O-])c3ccccc32)cc(Cl)c1F ZINC000366362495 604632172 /nfs/dbraw/zinc/63/21/72/604632172.db2.gz SSNJTYHWNOEBLE-NSHDSACASA-N -2 0 399.783 2.554 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Br)o1 ZINC000833323620 604666488 /nfs/dbraw/zinc/66/64/88/604666488.db2.gz UCOAWFAFVWPULZ-UHFFFAOYSA-N -2 0 382.138 2.819 20 0 GFADRL C[C@H]1Cc2cc(S(=O)(=O)[N-]c3nc(C4CC4)c(C(=O)[O-])s3)ccc2O1 ZINC000833633688 604759196 /nfs/dbraw/zinc/75/91/96/604759196.db2.gz YVODAVNWMGMSNF-QMMMGPOBSA-N -2 0 380.447 2.843 20 0 GFADRL CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)c1C ZINC000485192731 604766348 /nfs/dbraw/zinc/76/63/48/604766348.db2.gz FDSFINUQDANFNO-UHFFFAOYSA-N -2 0 380.422 2.616 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2ccc(SC(F)F)nc2)cc1C(=O)[O-] ZINC000832468942 604800523 /nfs/dbraw/zinc/80/05/23/604800523.db2.gz VIWOUSMTMDRGAX-UHFFFAOYSA-N -2 0 390.389 2.904 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2O)c(OC)c1C(=O)[O-] ZINC000833734431 604861263 /nfs/dbraw/zinc/86/12/63/604861263.db2.gz DSFGDUWQYRCQHJ-UHFFFAOYSA-N -2 0 387.797 2.562 20 0 GFADRL Cc1ccc(F)c(NS(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)c1C(=O)[O-] ZINC000833749393 604944109 /nfs/dbraw/zinc/94/41/09/604944109.db2.gz JIUGJMPHKBGAID-UHFFFAOYSA-N -2 0 389.307 2.610 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2csnc2C(=O)[O-])ccc1C(=O)OC(C)(C)C ZINC000833747042 604944360 /nfs/dbraw/zinc/94/43/60/604944360.db2.gz PHULAEXAHGEMHF-UHFFFAOYSA-N -2 0 398.462 2.906 20 0 GFADRL CC(C)[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)[C@@H](C)c1ccc(Cl)cc1Cl ZINC000833468255 604991734 /nfs/dbraw/zinc/99/17/34/604991734.db2.gz NTBYTTGRSOUVPG-UFBFGSQYSA-N -2 0 397.280 2.793 20 0 GFADRL CC(C)Oc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(NC(=O)[O-])cc2)cc1 ZINC000833506521 605021916 /nfs/dbraw/zinc/02/19/16/605021916.db2.gz GIKWHVOYJXJHSJ-UHFFFAOYSA-N -2 0 378.406 2.682 20 0 GFADRL CC(C)(C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1)c1cccs1 ZINC000833411810 605118041 /nfs/dbraw/zinc/11/80/41/605118041.db2.gz QFUCWZDOCDFHHD-UHFFFAOYSA-N -2 0 387.866 2.882 20 0 GFADRL CC(C)Oc1ncccc1[N-]S(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC000833508034 605124003 /nfs/dbraw/zinc/12/40/03/605124003.db2.gz SCJKMNSLXDLUPY-UHFFFAOYSA-N -2 0 376.434 2.786 20 0 GFADRL CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)cn1 ZINC000833506834 605124006 /nfs/dbraw/zinc/12/40/06/605124006.db2.gz PAWZMKIQBWQCRZ-UHFFFAOYSA-N -2 0 376.434 2.786 20 0 GFADRL COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC000833726899 605124977 /nfs/dbraw/zinc/12/49/77/605124977.db2.gz JZEPBBRJFPALDT-UHFFFAOYSA-N -2 0 383.372 2.890 20 0 GFADRL Cc1cc(F)c(S(=O)(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)cc1C(=O)[O-] ZINC000366806734 605166614 /nfs/dbraw/zinc/16/66/14/605166614.db2.gz XXFNCJCBYTVVJI-LLVKDONJSA-N -2 0 393.392 2.600 20 0 GFADRL C[C@]1([N-]S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)CCCC[C@H]1C(=O)[O-] ZINC000833570863 605246958 /nfs/dbraw/zinc/24/69/58/605246958.db2.gz UKOXJNZWYYNSTB-MDAAJZPYSA-N -2 0 387.326 2.694 20 0 GFADRL CC(C)N1CCc2nc([N-]S(=O)(=O)c3cc(F)cc(C(=O)[O-])c3)sc2C1 ZINC000833501626 605343587 /nfs/dbraw/zinc/34/35/87/605343587.db2.gz DZBNPZNVDGUTGC-UHFFFAOYSA-N -2 0 399.469 2.548 20 0 GFADRL O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000834162100 605698640 /nfs/dbraw/zinc/69/86/40/605698640.db2.gz OMLFTDCNBXAMBN-LQDVMPOASA-N -2 0 388.399 2.510 20 0 GFADRL O=C([O-])Nc1ccc(C(=O)[N-]S(=O)(=O)c2ccnc(Cl)c2)c(Cl)c1 ZINC000834255240 605975769 /nfs/dbraw/zinc/97/57/69/605975769.db2.gz GBYAJGRPCUIAAI-UHFFFAOYSA-N -2 0 390.204 2.597 20 0 GFADRL O=C([O-])N[C@@H]1CCC[C@H]1C(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000834174642 606062834 /nfs/dbraw/zinc/06/28/34/606062834.db2.gz XFABJRIKJQVDQI-RCCFBDPRSA-N -2 0 384.432 2.636 20 0 GFADRL O=C([O-])N[C@@H]1CCC[C@H]1C(=O)NC[C@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000834172617 606062844 /nfs/dbraw/zinc/06/28/44/606062844.db2.gz MXTSHMNKOONHMS-CGTJXYLNSA-N -2 0 384.432 2.636 20 0 GFADRL O=C([O-])C[C@H](NC(=O)C[C@H](NC(=O)[O-])c1ccccc1)c1ccc(F)cc1F ZINC000834061348 606067920 /nfs/dbraw/zinc/06/79/20/606067920.db2.gz UBCKZLDVHMOQDD-HOTGVXAUSA-N -2 0 392.358 2.996 20 0 GFADRL O=C([O-])N[C@@H](CCC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000834138786 606112625 /nfs/dbraw/zinc/11/26/25/606112625.db2.gz WYMRFFUOLULZIV-MSOLQXFVSA-N -2 0 382.416 2.986 20 0 GFADRL N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(Br)cc1C(=O)[O-] ZINC000013268026 654503653 /nfs/dbraw/zinc/50/36/53/654503653.db2.gz JWOTXKHQDPPIOR-UHFFFAOYSA-N -2 0 381.207 2.820 20 0 GFADRL CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000013278917 654504003 /nfs/dbraw/zinc/50/40/03/654504003.db2.gz SNAYLDOVCDYOOA-UHFFFAOYSA-N -2 0 384.391 2.521 20 0 GFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(Br)s2)c(O)c1 ZINC000037592403 654616101 /nfs/dbraw/zinc/61/61/01/654616101.db2.gz RQOKEHMKVJSCTN-UHFFFAOYSA-N -2 0 378.225 2.715 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2cccc(N3CCOC3=O)c2)sc1C(=O)[O-] ZINC000042795279 654644912 /nfs/dbraw/zinc/64/49/12/654644912.db2.gz SODDNBAKTWNWSU-UHFFFAOYSA-N -2 0 382.419 2.512 20 0 GFADRL COc1cc(OC)c([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c(C(=O)[O-])c1 ZINC000060362422 654828448 /nfs/dbraw/zinc/82/84/48/654828448.db2.gz CXAWHIKLDKKUNW-UHFFFAOYSA-N -2 0 389.788 2.995 20 0 GFADRL CCn1nc(C)c([N-]S(=O)(=O)c2cc(OC)c(C(=O)[O-])cc2Cl)c1C ZINC000267270962 654921163 /nfs/dbraw/zinc/92/11/63/654921163.db2.gz SEKAKVJAVFEQEU-UHFFFAOYSA-N -2 0 387.845 2.681 20 0 GFADRL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)nc2)cc1Cl ZINC000067244168 654934254 /nfs/dbraw/zinc/93/42/54/654934254.db2.gz AVFKRBXMSFERFJ-UHFFFAOYSA-N -2 0 377.205 2.653 20 0 GFADRL CCn1nc(C)c([N-]S(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)c1C ZINC000268984631 654994191 /nfs/dbraw/zinc/99/41/91/654994191.db2.gz SHPFFJAXMSYWNV-UHFFFAOYSA-N -2 0 375.809 2.811 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cnn(CC(F)(F)F)c2)c1Cl ZINC000156340616 655091825 /nfs/dbraw/zinc/09/18/25/655091825.db2.gz CCDIPGATKGELCQ-UHFFFAOYSA-N -2 0 397.762 2.906 20 0 GFADRL O=C([O-])c1c(Cl)cccc1[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000111278971 655167642 /nfs/dbraw/zinc/16/76/42/655167642.db2.gz SUTOEHAGPBMLSP-UHFFFAOYSA-N -2 0 391.630 2.997 20 0 GFADRL CCn1cc([N-]S(=O)(=O)c2ccc(OCCCC(=O)[O-])c(Cl)c2)cn1 ZINC000299543093 655376791 /nfs/dbraw/zinc/37/67/91/655376791.db2.gz BKXCPQJQPGZQCL-UHFFFAOYSA-N -2 0 387.845 2.601 20 0 GFADRL Cc1cc(F)c(Br)cc1S(=O)(=O)[N-]NC(=O)CC(C)(C)C ZINC000189286210 655385658 /nfs/dbraw/zinc/38/56/58/655385658.db2.gz AOYCZEJSFMNRPI-UHFFFAOYSA-N -2 0 381.267 2.642 20 0 GFADRL CC(=O)Nc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)ccc1Cl ZINC000745977867 655757187 /nfs/dbraw/zinc/75/71/87/655757187.db2.gz CVYUVROLVCEKKZ-UHFFFAOYSA-N -2 0 386.788 2.937 20 0 GFADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc([S@@](=O)C(F)(F)F)cc1 ZINC000751215967 655823093 /nfs/dbraw/zinc/82/30/93/655823093.db2.gz ZEKLTDNTMKVKHB-XMMPIXPASA-N -2 0 397.352 2.714 20 0 GFADRL CCc1onc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Br ZINC000759107860 655947769 /nfs/dbraw/zinc/94/77/69/655947769.db2.gz WOSYYOLUGAOOQV-UHFFFAOYSA-N -2 0 389.227 2.807 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2ccn(CC(F)(F)F)n2)cc(C(=O)[O-])c1Cl ZINC000759114108 655948065 /nfs/dbraw/zinc/94/80/65/655948065.db2.gz LRXMYZOVOQOBNM-UHFFFAOYSA-N -2 0 397.762 2.906 20 0 GFADRL CC(=O)N(C)c1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000768506073 656240450 /nfs/dbraw/zinc/24/04/50/656240450.db2.gz SZROBFNTIKWSEO-UHFFFAOYSA-N -2 0 382.825 2.822 20 0 GFADRL CCc1onc(C)c1[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000769635311 656283673 /nfs/dbraw/zinc/28/36/73/656283673.db2.gz BZEZWGNEIYMZJL-UHFFFAOYSA-N -2 0 395.256 2.868 20 0 GFADRL Cn1c(Cl)ncc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000769832100 656293928 /nfs/dbraw/zinc/29/39/28/656293928.db2.gz FEZJHLQCGOFABP-UHFFFAOYSA-N -2 0 383.735 2.591 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3n[nH]cc32)c(F)c(Cl)c1F ZINC000779833116 656946683 /nfs/dbraw/zinc/94/66/83/656946683.db2.gz AOUBUAFCTUSPIL-UHFFFAOYSA-N -2 0 387.751 2.994 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cc(C(=O)[O-])c1 ZINC000795367436 658811836 /nfs/dbraw/zinc/81/18/36/658811836.db2.gz YVSGJNLPWTYVNZ-UHFFFAOYSA-N -3 0 387.772 2.985 20 0 GFADRL COc1cc([N-]S(=O)(=O)c2ccc(C)nc2Cl)c(C(=O)[O-])cc1OC ZINC000800832138 659334294 /nfs/dbraw/zinc/33/42/94/659334294.db2.gz MJIAFENATJBAGI-UHFFFAOYSA-N -2 0 386.813 2.560 20 0 GFADRL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-][C@@H]2CCCC2(F)F)s1 ZINC000806567386 659836068 /nfs/dbraw/zinc/83/60/68/659836068.db2.gz WPJTYUIUWGHRIU-SSDOTTSWSA-N -2 0 390.227 2.675 20 0 GFADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@@H](C(=O)[O-])c1csc(Br)c1 ZINC000906003237 663907658 /nfs/dbraw/zinc/90/76/58/663907658.db2.gz AWIYEVJHWVQZSJ-MHTLYPKNSA-N -2 0 396.206 2.507 20 0 GFADRL O=C([O-])c1cc(Cl)ccc1[N-]S(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000186969520 552403106 /nfs/dbraw/zinc/40/31/06/552403106.db2.gz AZINQWLQLGCTTP-UHFFFAOYSA-N -2 0 383.735 2.598 20 0 GFADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)NC(=O)CS2 ZINC000324560544 563453174 /nfs/dbraw/zinc/45/31/74/563453174.db2.gz ILJHBXGWFJMTHZ-UHFFFAOYSA-N -2 0 384.460 2.600 20 0 GFADRL COc1cncc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)c(C(=O)[O-])c2)c1 ZINC000410386694 563589258 /nfs/dbraw/zinc/58/92/58/563589258.db2.gz XKGCBYXTCYNSGC-UHFFFAOYSA-N -2 0 377.205 2.896 20 0 GFADRL O=C([O-])c1ccc([O-])c(S(=O)(=O)Nc2ccc(OC(F)F)cc2F)c1 ZINC000436526536 563673507 /nfs/dbraw/zinc/67/35/07/563673507.db2.gz JLDLFLKKBZBCSH-UHFFFAOYSA-N -2 0 377.296 2.632 20 0 GFADRL NC(=O)c1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000438755500 563709496 /nfs/dbraw/zinc/70/94/96/563709496.db2.gz NESBSROQSALPDB-UHFFFAOYSA-N -2 0 389.216 2.591 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)Nc2cc(F)c(F)cc2C(=O)[O-])cc1Cl ZINC000438778511 563710601 /nfs/dbraw/zinc/71/06/01/563710601.db2.gz XIAAUDDPLHVHPC-UHFFFAOYSA-N -2 0 391.735 2.815 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2cc(OC)c(C(=O)[O-])cc2Cl)c(O)c1 ZINC000442850850 563781954 /nfs/dbraw/zinc/78/19/54/563781954.db2.gz PYNUPVAFTDYIKO-UHFFFAOYSA-N -2 0 387.797 2.562 20 0 GFADRL CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000506577748 564205367 /nfs/dbraw/zinc/20/53/67/564205367.db2.gz JIRJDOMVFDBNEG-UHFFFAOYSA-N -2 0 381.431 2.914 20 0 GFADRL CS(=O)(=O)[N-]c1cc(F)ccc1[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000539114684 564210375 /nfs/dbraw/zinc/21/03/75/564210375.db2.gz DLMCVTOUGHICKU-UHFFFAOYSA-N -2 0 396.824 2.791 20 0 GFADRL CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1Cl ZINC000511096009 564356702 /nfs/dbraw/zinc/35/67/02/564356702.db2.gz NICPJGDZNMOVMQ-UHFFFAOYSA-N -2 0 388.854 2.602 20 0 GFADRL Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccn(CC(F)(F)F)n2)cc1C(=O)[O-] ZINC000479273030 564434372 /nfs/dbraw/zinc/43/43/72/564434372.db2.gz RTLRDSGKBJKPDX-UHFFFAOYSA-N -2 0 397.762 2.906 20 0 GFADRL COC(=O)[C@H](C)Cc1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1 ZINC000546779759 564467411 /nfs/dbraw/zinc/46/74/11/564467411.db2.gz SRHYJDFVXLRALF-SNVBAGLBSA-N -2 0 383.447 2.599 20 0 GFADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)c(C(=O)[O-])c2)o1 ZINC000481453826 564512655 /nfs/dbraw/zinc/51/26/55/564512655.db2.gz XCCGGNUAELSQSB-UHFFFAOYSA-N -2 0 394.188 2.872 20 0 GFADRL CC(C)n1cnc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2C(=O)[O-])c1 ZINC000547883252 564515967 /nfs/dbraw/zinc/51/59/67/564515967.db2.gz MDHZQBKTNBMACG-UHFFFAOYSA-N -2 0 377.344 2.982 20 0 GFADRL COc1cc(OC)c([N-]S(=O)(=O)c2ccccc2SC)c(C(=O)[O-])c1 ZINC000548031759 564528970 /nfs/dbraw/zinc/52/89/70/564528970.db2.gz GZSPFQBHYXCCCP-UHFFFAOYSA-N -2 0 383.447 2.925 20 0 GFADRL COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)[O-] ZINC000548527289 564555765 /nfs/dbraw/zinc/55/57/65/564555765.db2.gz VZYVQXGFMSWFEX-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)[O-] ZINC000518645278 564558455 /nfs/dbraw/zinc/55/84/55/564558455.db2.gz ZUSOHNUQSDAQTA-UHFFFAOYSA-N -3 0 385.781 2.546 20 0 GFADRL CC[C@@](C)(NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)C(=O)[O-] ZINC000485379461 564613492 /nfs/dbraw/zinc/61/34/92/564613492.db2.gz ZWGXURSSSWCQDW-MRXNPFEDSA-N -2 0 382.463 2.532 20 0 GFADRL NC(=O)c1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000489757784 564751785 /nfs/dbraw/zinc/75/17/85/564751785.db2.gz UZVDOTGOWQAUPP-UHFFFAOYSA-N -2 0 389.216 2.591 20 0 GFADRL COc1cc(OC)c([N-]S(=O)(=O)c2cc(Cl)ccc2F)c(C(=O)[O-])c1 ZINC000556346824 564819808 /nfs/dbraw/zinc/81/98/08/564819808.db2.gz PLMVFUNCIOUSMM-UHFFFAOYSA-N -2 0 389.788 2.995 20 0 GFADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000583005417 564871673 /nfs/dbraw/zinc/87/16/73/564871673.db2.gz CTXOUDWQKLFRMC-UHFFFAOYSA-N -2 0 377.344 2.500 20 0 GFADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cc(Br)ccc1O ZINC000466282693 564936959 /nfs/dbraw/zinc/93/69/59/564936959.db2.gz HJSRALBRJIPOFL-UHFFFAOYSA-N -2 0 386.223 2.962 20 0 GFADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1cnc2ccsc2c1 ZINC000533690188 564970430 /nfs/dbraw/zinc/97/04/30/564970430.db2.gz PKTKWWODCMCCOU-UHFFFAOYSA-N -2 0 382.394 2.943 20 0 GFADRL COc1cc(F)c(S(=O)(=O)[N-]c2c(C)cc(F)cc2C(=O)[O-])c(F)c1 ZINC000588625172 565134766 /nfs/dbraw/zinc/13/47/66/565134766.db2.gz NPYBHVDKJABONL-UHFFFAOYSA-N -2 0 375.324 2.920 20 0 GFADRL CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000621575479 565430741 /nfs/dbraw/zinc/43/07/41/565430741.db2.gz XZRLHSBATFAAEX-UHFFFAOYSA-N -2 0 386.788 2.801 20 0 GFADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2c(C)c(Cl)ccc2C(=O)[O-])s1 ZINC000604307297 565926720 /nfs/dbraw/zinc/92/67/20/565926720.db2.gz OADMRLOOOOYARM-UHFFFAOYSA-N -2 0 389.838 2.996 20 0 GFADRL Cc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2F)cc(C(=O)[O-])c1Cl ZINC000759102059 597513669 /nfs/dbraw/zinc/51/36/69/597513669.db2.gz OYIPUEQWULJJGP-UHFFFAOYSA-N -2 0 387.772 2.985 20 0 GFADRL CC1CCN(C(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC000736798547 599738595 /nfs/dbraw/zinc/73/85/95/599738595.db2.gz YYWNTWZOTCLZSK-UHFFFAOYSA-N -2 0 392.433 2.651 20 0 GFADRL C[C@H](CNC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccccc1)C(=O)[O-] ZINC000736600626 599766330 /nfs/dbraw/zinc/76/63/30/599766330.db2.gz WAXZWCGERKEEMC-LLVKDONJSA-N -2 0 396.852 2.591 20 0 GFADRL Cc1nc(CC(C)C)sc1C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000738851250 599793192 /nfs/dbraw/zinc/79/31/92/599793192.db2.gz JZGSWKHYHHSUOW-UHFFFAOYSA-N -2 0 388.492 2.528 20 0 GFADRL O=C([O-])CCOc1ccc(NC(=O)c2nn(-c3ccccc3F)cc2[O-])cc1 ZINC000739740617 599809243 /nfs/dbraw/zinc/80/92/43/599809243.db2.gz YPUXQODPTZSYGW-UHFFFAOYSA-N -2 0 385.351 2.823 20 0 GFADRL O=C([O-])CCc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000739766997 599853783 /nfs/dbraw/zinc/85/37/83/599853783.db2.gz PYWFVJHTZRRANT-UHFFFAOYSA-N -2 0 383.809 2.856 20 0 GFADRL Cc1ccc(S(=O)(=O)Nc2cccc(CSCC(=O)[O-])c2)cc1C(=O)[O-] ZINC000738655282 599927600 /nfs/dbraw/zinc/92/76/00/599927600.db2.gz OZBCUZYMQOFZES-UHFFFAOYSA-N -2 0 395.458 2.812 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)c2cccc(OC3CCCC3)c2)s1 ZINC000739453351 599965747 /nfs/dbraw/zinc/96/57/47/599965747.db2.gz GAEFSIPVALFLNI-UHFFFAOYSA-N -2 0 395.458 2.886 20 0 GFADRL CCCCN1C(=O)N[C@H](c2ccc(OCCC(=O)[O-])cc2)C(C(=O)[O-])=C1C ZINC000736994559 599983905 /nfs/dbraw/zinc/98/39/05/599983905.db2.gz WZCCRSACXKYORR-QGZVFWFLSA-N -2 0 376.409 2.765 20 0 GFADRL O=C([O-])c1ccc(Br)c(S(=O)(=O)[N-]c2ccc(Cl)nc2)c1 ZINC000113709695 600004303 /nfs/dbraw/zinc/00/43/03/600004303.db2.gz XEQOQIIREVCQGD-UHFFFAOYSA-N -2 0 391.630 2.997 20 0 GFADRL CC(C)n1nccc1[N-]S(=O)(=O)c1ccc(Br)c(C(=O)[O-])c1 ZINC000386164189 600052791 /nfs/dbraw/zinc/05/27/91/600052791.db2.gz BRJFBZJCJSCQQD-UHFFFAOYSA-N -2 0 388.243 2.726 20 0 GFADRL CC[C@H]1CCc2nc([N-]S(=O)(=O)c3ccc(OCC(=O)[O-])cc3)sc2C1 ZINC000736941577 600054905 /nfs/dbraw/zinc/05/49/05/600054905.db2.gz YQDXGRRKDGJQKY-NSHDSACASA-N -2 0 396.490 2.922 20 0 GFADRL COC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)[O-])c2)c1 ZINC000737692930 600099690 /nfs/dbraw/zinc/09/96/90/600099690.db2.gz GYYTVOSAXAINRO-UHFFFAOYSA-N -2 0 386.332 2.642 20 0 GFADRL O=C([O-])CCSCc1cccc(NC(=O)C[C@@]2(C(=O)[O-])CCSC2)c1 ZINC000739754254 600108234 /nfs/dbraw/zinc/10/82/34/600108234.db2.gz MTHYAQSLFOBSLU-KRWDZBQOSA-N -2 0 383.491 2.931 20 0 GFADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000740114436 600122854 /nfs/dbraw/zinc/12/28/54/600122854.db2.gz GKWAKQJECHJNRL-UHFFFAOYSA-N -2 0 391.298 2.661 20 0 GFADRL CCCn1c2ccccc2nc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000737051193 600126562 /nfs/dbraw/zinc/12/65/62/600126562.db2.gz QSCJZCUDGBAJFT-UHFFFAOYSA-N -2 0 389.433 2.711 20 0 GFADRL O=C([O-])[C@@H](CNC(=O)c1cccc(Br)c1[O-])Cc1ccc(O)cc1 ZINC000739397296 600179722 /nfs/dbraw/zinc/17/97/22/600179722.db2.gz NTWSMUJLXXHFFR-LLVKDONJSA-N -2 0 394.221 2.534 20 0 GFADRL Cc1csc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Br)cc2F)n1 ZINC000738819673 600204416 /nfs/dbraw/zinc/20/44/16/600204416.db2.gz BWVAAXUGTNZSBU-UHFFFAOYSA-N -2 0 395.231 2.852 20 0 GFADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(OCC(C)C)c(Cl)c2)c1C(=O)[O-] ZINC000738829951 600232824 /nfs/dbraw/zinc/23/28/24/600232824.db2.gz VBZRETJTCKVMIR-UHFFFAOYSA-N -2 0 387.845 2.905 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccn(-c3ccccc3)n2)c(F)cc1F ZINC000740089713 600233246 /nfs/dbraw/zinc/23/32/46/600233246.db2.gz IZFMIZHCSCZLKN-UHFFFAOYSA-N -2 0 379.344 2.650 20 0 GFADRL CCOc1ccc(S(=O)(=O)N(CC)c2ccccc2C(=O)[O-])cc1C(=O)[O-] ZINC000737211072 600245549 /nfs/dbraw/zinc/24/55/49/600245549.db2.gz UQANDVSVPXZPML-UHFFFAOYSA-N -2 0 393.417 2.697 20 0 GFADRL CC(C)(C)/C=C/C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000736249907 600272811 /nfs/dbraw/zinc/27/28/11/600272811.db2.gz BUVNYTKQISBRSE-SNAWJCMRSA-N -2 0 379.356 2.811 20 0 GFADRL Cn1c(=O)c2ccc(C(=O)Nc3ccc(C(=O)[O-])c(Cl)c3)cc2[n-]c1=S ZINC000739013081 600487756 /nfs/dbraw/zinc/48/77/56/600487756.db2.gz AHFDNWABXUIKFK-UHFFFAOYSA-N -2 0 389.820 2.826 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2OC(C)C)cc1C(=O)[O-] ZINC000057122696 600543918 /nfs/dbraw/zinc/54/39/18/600543918.db2.gz BWGGJOBYOZBPLJ-UHFFFAOYSA-N -2 0 390.417 2.853 20 0 GFADRL O=C([O-])c1ccoc1COC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000740296200 600545930 /nfs/dbraw/zinc/54/59/30/600545930.db2.gz HVUIEVBANSATIF-UHFFFAOYSA-N -2 0 392.161 2.939 20 0 GFADRL CC(=O)N(Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cc1)C1CC1 ZINC000736130975 600635818 /nfs/dbraw/zinc/63/58/18/600635818.db2.gz PUKJRAJKIOUSIU-UHFFFAOYSA-N -2 0 394.474 2.758 20 0 GFADRL Cc1cc(S(=O)(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)ccc1OCC(=O)[O-] ZINC000738477121 600637740 /nfs/dbraw/zinc/63/77/40/600637740.db2.gz RLPBHAPUKSZKST-UHFFFAOYSA-N -2 0 399.808 2.611 20 0 GFADRL CCSc1ccc(Cl)cc1[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000830169804 600681172 /nfs/dbraw/zinc/68/11/72/600681172.db2.gz YVZMROXTLCKIRP-UHFFFAOYSA-N -2 0 375.859 2.534 20 0 GFADRL Cc1ccc(NC(=O)C(C)(C)C)cc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000264824093 600682173 /nfs/dbraw/zinc/68/21/73/600682173.db2.gz GQSBJZMYPNHNKY-UHFFFAOYSA-N -2 0 379.438 2.807 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2cc(Cl)cc(C(=O)[O-])c2)cs1 ZINC000831348461 600684134 /nfs/dbraw/zinc/68/41/34/600684134.db2.gz QBUKXHYBTBXAEH-UHFFFAOYSA-N -2 0 375.811 2.687 20 0 GFADRL COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)cc1C(=O)[O-] ZINC000831434822 600688225 /nfs/dbraw/zinc/68/82/25/600688225.db2.gz FPCHUNRLQVNOJA-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL Cn1cc(S(=O)(=O)[N-]c2cc(F)ccc2OCC(F)(F)F)cc1C(=O)[O-] ZINC000491129275 600809656 /nfs/dbraw/zinc/80/96/56/600809656.db2.gz AUKLMXAVYGWMAS-UHFFFAOYSA-N -2 0 396.318 2.604 20 0 GFADRL Cn1cc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccccc3)c2)cc1C(=O)[O-] ZINC000515630026 600811777 /nfs/dbraw/zinc/81/17/77/600811777.db2.gz QCNRMCUXNFAEAQ-UHFFFAOYSA-N -2 0 399.428 2.776 20 0 GFADRL COC(=O)c1c(F)cccc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000737647881 600893022 /nfs/dbraw/zinc/89/30/22/600893022.db2.gz BBIWBWYYYMMRSQ-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c1OC ZINC000484984894 600899574 /nfs/dbraw/zinc/89/95/74/600899574.db2.gz GJPYTKPSJGKVET-UHFFFAOYSA-N -2 0 391.323 2.620 20 0 GFADRL CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000829009283 600938023 /nfs/dbraw/zinc/93/80/23/600938023.db2.gz APZYKGTXVWDDDA-UTUOFQBUSA-N -2 0 389.495 2.625 20 0 GFADRL CCCN(CC)c1ccc(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC000829486709 600941048 /nfs/dbraw/zinc/94/10/48/600941048.db2.gz KMFMGGVMRZZCRA-UHFFFAOYSA-N -2 0 396.490 2.801 20 0 GFADRL C[C@H](CCc1cccc(F)c1)C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000827427131 600943504 /nfs/dbraw/zinc/94/35/04/600943504.db2.gz BWLOWEOTCJBECD-CYBMUJFWSA-N -2 0 393.436 2.739 20 0 GFADRL O=C([O-])c1cc(C(F)(F)F)cc(S(=O)(=O)[N-]C(=O)[C@H]2Cc3ccccc32)c1 ZINC000833298148 600945205 /nfs/dbraw/zinc/94/52/05/600945205.db2.gz PFTIDXMPYPVUQP-AWEZNQCLSA-N -2 0 399.346 2.548 20 0 GFADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)C1(Cc2cccc(Cl)c2)CCCC1 ZINC000833228309 600947481 /nfs/dbraw/zinc/94/74/81/600947481.db2.gz LGJCSOMVIZEARF-UHFFFAOYSA-N -2 0 387.885 2.754 20 0 GFADRL CC(C)n1nccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Br ZINC000314098423 600975968 /nfs/dbraw/zinc/97/59/68/600975968.db2.gz ILQDKCHRXMCLAN-UHFFFAOYSA-N -2 0 388.243 2.726 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2O)cc1C(=O)[O-] ZINC000462099640 601116518 /nfs/dbraw/zinc/11/65/18/601116518.db2.gz GJCGWKDQFOWGFA-UHFFFAOYSA-N -2 0 391.323 2.919 20 0 GFADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000737950097 601118054 /nfs/dbraw/zinc/11/80/54/601118054.db2.gz XGOISUDIBSZJJC-UHFFFAOYSA-N -3 0 385.781 2.546 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc(NC(C)=O)c(C)c1 ZINC000831944915 601151077 /nfs/dbraw/zinc/15/10/77/601151077.db2.gz BSHRXZNPEOBYEI-UHFFFAOYSA-N -2 0 384.435 2.523 20 0 GFADRL CCC[C@@](C)(NC(=O)c1ccc([N-]S(=O)(=O)C(F)(F)F)c(C)c1)C(=O)[O-] ZINC000766913789 601197989 /nfs/dbraw/zinc/19/79/89/601197989.db2.gz MHDSVEVQPOUHDF-CQSZACIVSA-N -2 0 396.387 2.630 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2c3c(nn2-c2ccccc2)CCC3)cc1C(=O)[O-] ZINC000833027834 601229798 /nfs/dbraw/zinc/22/97/98/601229798.db2.gz YIEHFJJCKOEAIL-UHFFFAOYSA-N -2 0 387.417 2.761 20 0 GFADRL COCc1nc2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3F)ccc2o1 ZINC000831831611 601230433 /nfs/dbraw/zinc/23/04/33/601230433.db2.gz NBVAYJLFFQVJAV-UHFFFAOYSA-N -2 0 380.353 2.612 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2ccc(Sc3nccn3C)cc2)cc1C(=O)[O-] ZINC000833029662 601232410 /nfs/dbraw/zinc/23/24/10/601232410.db2.gz KSBLXMHJAUSODJ-UHFFFAOYSA-N -2 0 393.446 2.972 20 0 GFADRL C[C@@H](CNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)COCc1ccccc1 ZINC000390420047 601232484 /nfs/dbraw/zinc/23/24/84/601232484.db2.gz PPXJLZPDRVPJIK-LBPRGKRZSA-N -2 0 399.415 2.794 20 0 GFADRL CCc1nnc(-c2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(C)o3)cc2)o1 ZINC000830329010 601234859 /nfs/dbraw/zinc/23/48/59/601234859.db2.gz ZEIXSEYQMRSMHW-UHFFFAOYSA-N -2 0 377.378 2.699 20 0 GFADRL O=C([O-])c1cc(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccccc2)ccn1 ZINC000485654192 601245106 /nfs/dbraw/zinc/24/51/06/601245106.db2.gz LPYLBDBRCAXCLB-UHFFFAOYSA-N -2 0 397.412 2.833 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(-c2ccnc(C)n2)c1 ZINC000042005334 601321526 /nfs/dbraw/zinc/32/15/26/601321526.db2.gz WIXIFXFGSHFJSV-UHFFFAOYSA-N -2 0 399.428 2.960 20 0 GFADRL COc1ccc(C(=O)[O-])c(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c1 ZINC000619533511 601327291 /nfs/dbraw/zinc/32/72/91/601327291.db2.gz VLDJHCJWHSRTMH-UHFFFAOYSA-N -2 0 379.390 2.509 20 0 GFADRL CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])s3)ccc21 ZINC000392235953 601357810 /nfs/dbraw/zinc/35/78/10/601357810.db2.gz FJDFWFWTPRJDFX-UHFFFAOYSA-N -2 0 380.447 2.546 20 0 GFADRL Cn1ccnc1Sc1ccc(F)cc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000833059097 601360592 /nfs/dbraw/zinc/36/05/92/601360592.db2.gz VLRUMPMUBQZGON-UHFFFAOYSA-N -2 0 396.425 2.538 20 0 GFADRL CC(C)Cc1nnc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)s1 ZINC000826913505 601501834 /nfs/dbraw/zinc/50/18/34/601501834.db2.gz YVYDMLAEGYXLCQ-UHFFFAOYSA-N -2 0 375.859 2.889 20 0 GFADRL Cc1[nH]nc(S(=O)(=O)[N-]c2cccc(CCC(F)(F)F)c2)c1C(=O)[O-] ZINC000832992155 601559276 /nfs/dbraw/zinc/55/92/76/601559276.db2.gz ZHBLWARQNFZXJP-UHFFFAOYSA-N -2 0 377.344 2.712 20 0 GFADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000466291252 601575917 /nfs/dbraw/zinc/57/59/17/601575917.db2.gz VJLKTMKSBZHQMB-UHFFFAOYSA-N -3 0 393.417 2.981 20 0 GFADRL Cc1ccc([N-]S(=O)(=O)c2ccc(Br)c(C(=O)[O-])c2)c(C)n1 ZINC000388082767 601770936 /nfs/dbraw/zinc/77/09/36/601770936.db2.gz BRKSYALNSPEGGH-UHFFFAOYSA-N -2 0 385.239 2.960 20 0 GFADRL CSc1nc2ccc([N-]S(=O)(=O)c3csnc3C(=O)[O-])cc2s1 ZINC000832798708 601831582 /nfs/dbraw/zinc/83/15/82/601831582.db2.gz KVZBAXHQNPTZSY-UHFFFAOYSA-N -2 0 387.489 2.974 20 0 GFADRL CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C(=O)OC)n[nH]1 ZINC000829215333 601861688 /nfs/dbraw/zinc/86/16/88/601861688.db2.gz AKMBBHBKHIQLLJ-SNVBAGLBSA-N -2 0 395.437 2.599 20 0 GFADRL CCOc1ccc(S(=O)(=O)[N-]c2nc3c(s2)CN(C(=O)[O-])CC3)cc1C ZINC000739504947 601976552 /nfs/dbraw/zinc/97/65/52/601976552.db2.gz ORADLCLFJQCULD-UHFFFAOYSA-N -2 0 397.478 2.687 20 0 GFADRL COc1c(C)cc(S(=O)(=O)[N-]c2nc3c(s2)CN(C(=O)[O-])CC3)cc1C ZINC000739846572 601976576 /nfs/dbraw/zinc/97/65/76/601976576.db2.gz UJBRCCZNGOGBDS-UHFFFAOYSA-N -2 0 397.478 2.605 20 0 GFADRL COc1ccc([C@H]2NC(=O)N(CCCCCC(=O)[O-])C(C)=C2C(=O)[O-])s1 ZINC000832273247 601993598 /nfs/dbraw/zinc/99/35/98/601993598.db2.gz QIYFOWXDQRJWDD-OAHLLOKOSA-N -2 0 382.438 2.827 20 0 GFADRL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])cs2)cc1Cl ZINC000825884533 602115125 /nfs/dbraw/zinc/11/51/25/602115125.db2.gz XBJVFLQBVKQODA-UHFFFAOYSA-N -2 0 392.817 2.998 20 0 GFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2csnc2C(=O)[O-])cc1Cl ZINC000832003870 602156020 /nfs/dbraw/zinc/15/60/20/602156020.db2.gz ASPCFHWZKWFHKW-UHFFFAOYSA-N -2 0 383.234 2.958 20 0 GFADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ccc2[nH]c(C3CCC3)nc2c1 ZINC000833346523 602169603 /nfs/dbraw/zinc/16/96/03/602169603.db2.gz RBHHBKBAAKKTKO-UHFFFAOYSA-N -2 0 378.435 2.786 20 0 GFADRL O=C([O-])c1cc(Br)ccc1S(=O)(=O)[N-]c1ccc(F)cc1O ZINC000833295928 602201987 /nfs/dbraw/zinc/20/19/87/602201987.db2.gz MGGXRFXIQZOBRW-UHFFFAOYSA-N -2 0 390.186 2.793 20 0 GFADRL O=C([O-])N1CCc2cc([N-]S(=O)(=O)c3c(Cl)nc4ccccn43)ccc21 ZINC000740529978 602244436 /nfs/dbraw/zinc/24/44/36/602244436.db2.gz RHYDPTMBDCFYEC-UHFFFAOYSA-N -2 0 392.824 2.829 20 0 GFADRL CCCc1cc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])n[nH]1 ZINC000829566048 602306111 /nfs/dbraw/zinc/30/61/11/602306111.db2.gz AHJHABQGKLBQBB-UHFFFAOYSA-N -2 0 377.344 2.880 20 0 GFADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2nnc(-c3ccccc3)s2)c1 ZINC000833318432 602307374 /nfs/dbraw/zinc/30/73/74/602307374.db2.gz ORXGHMNYWGGSEM-UHFFFAOYSA-N -2 0 379.394 2.843 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]C(=O)c2ccc(NC(=O)[O-])cc2)c(Cl)cc1F ZINC000832903001 602348774 /nfs/dbraw/zinc/34/87/74/602348774.db2.gz LFDLJOPDGYKZNL-UHFFFAOYSA-N -2 0 386.788 2.996 20 0 GFADRL CC(C)(CCC(=O)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)NC(=O)[O-] ZINC000738740915 602925989 /nfs/dbraw/zinc/92/59/89/602925989.db2.gz OESUYNWKTYWWAE-UHFFFAOYSA-N -2 0 383.253 2.625 20 0 GFADRL O=C([O-])N1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000740458403 602959456 /nfs/dbraw/zinc/95/94/56/602959456.db2.gz WYQVNTAZJYBSSF-OAHLLOKOSA-N -2 0 380.466 2.539 20 0 GFADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CCC[C@H](CNC(=O)[O-])C3)n2)cc1 ZINC000738877831 603147519 /nfs/dbraw/zinc/14/75/19/603147519.db2.gz PLJYTSJYZNKFCZ-CQSZACIVSA-N -2 0 386.452 2.821 20 0 GFADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CCC[C@H](CNC(=O)[O-])C3)n2)c1 ZINC000738877761 603314974 /nfs/dbraw/zinc/31/49/74/603314974.db2.gz UAKMWARPVHUNJY-CQSZACIVSA-N -2 0 386.452 2.821 20 0 GFADRL O=C([O-])Nc1cc2c(cc1[N-]S(=O)(=O)c1cccc3cccnc31)OCO2 ZINC000832828543 603889177 /nfs/dbraw/zinc/88/91/77/603889177.db2.gz HPQKWDNFYQJTIV-UHFFFAOYSA-N -2 0 387.373 2.854 20 0 GFADRL Cc1ccc(-c2nnc([N-]S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)s2)c(C)c1 ZINC000832907709 604402838 /nfs/dbraw/zinc/40/28/38/604402838.db2.gz IFVDYLBFMUNSTF-UHFFFAOYSA-N -2 0 378.435 2.649 20 0 GFADRL CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(=O)c2cccc(NC(=O)[O-])c2)c1 ZINC000825951830 604413174 /nfs/dbraw/zinc/41/31/74/604413174.db2.gz RBHTZAKHUCDLSH-UHFFFAOYSA-N -2 0 396.808 2.751 20 0 GFADRL CCn1cc(S(=O)(=O)[N-]c2cccc(CSCCC(=O)[O-])c2)nc1C ZINC000833683723 604511093 /nfs/dbraw/zinc/51/10/93/604511093.db2.gz TVHYJCBJDQOORN-UHFFFAOYSA-N -2 0 383.495 2.720 20 0 GFADRL CCOc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC000833664515 604688329 /nfs/dbraw/zinc/68/83/29/604688329.db2.gz WCXCAFXNESBHGG-UHFFFAOYSA-N -2 0 390.339 2.998 20 0 GFADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC000656643291 604746693 /nfs/dbraw/zinc/74/66/93/604746693.db2.gz ASADKBOGXOIIGK-OAHLLOKOSA-N -2 0 389.429 2.714 20 0 GFADRL COC(=O)c1cccc(S(=O)(=O)[N-]c2nc(C3CC3)c(C(=O)[O-])s2)c1C ZINC000833717341 604760178 /nfs/dbraw/zinc/76/01/78/604760178.db2.gz YZYRJNAVPUTFDK-UHFFFAOYSA-N -2 0 396.446 2.615 20 0 GFADRL COc1cc(F)c(S(=O)(=O)[N-]c2nc(C3CC3)c(C(=O)[O-])s2)c(F)c1 ZINC000833729697 604760243 /nfs/dbraw/zinc/76/02/43/604760243.db2.gz UBVNLSMXIGEYGX-UHFFFAOYSA-N -2 0 390.389 2.806 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)c(OC)c1C(=O)[O-] ZINC000833734636 604861841 /nfs/dbraw/zinc/86/18/41/604861841.db2.gz QOKXAAXMYZLBAE-UHFFFAOYSA-N -2 0 376.390 2.684 20 0 GFADRL COc1ccc(/C=C\C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000833732005 605120009 /nfs/dbraw/zinc/12/00/09/605120009.db2.gz GTCXINMXUIGSIC-WTKPLQERSA-N -2 0 395.820 2.565 20 0 GFADRL CC(C)(C)OC(=O)NCc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)c1 ZINC000833443269 605182870 /nfs/dbraw/zinc/18/28/70/605182870.db2.gz QLSOHNRQBAXRNW-UHFFFAOYSA-N -2 0 396.421 2.803 20 0 GFADRL CCNC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(C)cc1C(=O)[O-] ZINC000833656729 605187896 /nfs/dbraw/zinc/18/78/96/605187896.db2.gz GQHYPKXNALMHME-UHFFFAOYSA-N -2 0 396.852 2.897 20 0 GFADRL O=C([O-])N1CCO[C@@H](CC(=O)Nc2cc(Cl)cc(Br)c2[O-])C1 ZINC000831387714 605385247 /nfs/dbraw/zinc/38/52/47/605385247.db2.gz OMXJBXJXPCSTTK-QMMMGPOBSA-N -2 0 393.621 2.516 20 0 GFADRL O=C([O-])N1CCc2ncc([N-]S(=O)(=O)c3ccc(Cl)cc3F)cc2C1 ZINC000834121335 605877839 /nfs/dbraw/zinc/87/78/39/605877839.db2.gz QNJAZPLEYJMORQ-UHFFFAOYSA-N -2 0 385.804 2.711 20 0 GFADRL COc1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2)ccc1NC(=O)[O-] ZINC000833887498 605943017 /nfs/dbraw/zinc/94/30/17/605943017.db2.gz GYBCVQNTBHNGEA-UHFFFAOYSA-N -2 0 391.327 3.000 20 0 GFADRL CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]c1c(C)ccc(Cl)c1C(=O)[O-] ZINC000821185101 660318189 /nfs/dbraw/zinc/31/81/89/660318189.db2.gz KFGADQOIHSOLLE-LLVKDONJSA-N -2 0 377.846 2.820 20 0 GFADRL CCOc1cc2c(cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)O[C@H](C)C2 ZINC000022244937 654532170 /nfs/dbraw/zinc/53/21/70/654532170.db2.gz OCRHRNRHTOWMKR-SECBINFHSA-N -2 0 383.447 2.969 20 0 GFADRL NC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)cc1 ZINC000066813516 654916526 /nfs/dbraw/zinc/91/65/26/654916526.db2.gz BQDKDFMZZGHWLW-UHFFFAOYSA-N -2 0 389.216 2.591 20 0 GFADRL CCN1C(=O)CCc2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)ccc21 ZINC000273456316 655143958 /nfs/dbraw/zinc/14/39/58/655143958.db2.gz FPRFRSFFCICLJD-UHFFFAOYSA-N -2 0 380.447 2.546 20 0 GFADRL O=C([O-])c1cc(Br)cc(S(=O)(=O)[N-]c2ccc(F)nc2)c1F ZINC000178260858 655300708 /nfs/dbraw/zinc/30/07/08/655300708.db2.gz GKSZHUOFKVBWNN-UHFFFAOYSA-N -2 0 393.165 2.621 20 0 GFADRL COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)cc2C(=O)[O-])c1 ZINC000327174073 655385840 /nfs/dbraw/zinc/38/58/40/655385840.db2.gz AWVHCYSITOAVIK-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000327307810 655385978 /nfs/dbraw/zinc/38/59/78/655385978.db2.gz NETIQTQANJMFEY-UHFFFAOYSA-N -2 0 386.769 2.756 20 0 GFADRL Cc1nc(Br)ccc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000222854485 655422180 /nfs/dbraw/zinc/42/21/80/655422180.db2.gz YTLYKCRIBDGTOH-UHFFFAOYSA-N -2 0 377.241 2.713 20 0 GFADRL COC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C)c(Cl)c(C(=O)[O-])c1 ZINC000759092964 655947180 /nfs/dbraw/zinc/94/71/80/655947180.db2.gz ZWUOIVDDLSIGQD-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2cnn(CC(F)F)c2)cc(C(=O)[O-])c1Cl ZINC000759101155 655947626 /nfs/dbraw/zinc/94/76/26/655947626.db2.gz IODDXUJRJUWCCB-UHFFFAOYSA-N -2 0 379.772 2.609 20 0 GFADRL Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000765141746 656133370 /nfs/dbraw/zinc/13/33/70/656133370.db2.gz NRRYULUSOURSMT-UHFFFAOYSA-N -2 0 391.232 2.961 20 0 GFADRL CC(C)Cn1cc([N-]S(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)cn1 ZINC000767738889 656218084 /nfs/dbraw/zinc/21/80/84/656218084.db2.gz QOHJAKXBDRXWGU-UHFFFAOYSA-N -2 0 375.809 2.831 20 0 GFADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)cc1OC ZINC000775295546 656625870 /nfs/dbraw/zinc/62/58/70/656625870.db2.gz QPTVMQDUAHWPQK-UHFFFAOYSA-N -2 0 385.825 2.785 20 0 GFADRL Cn1nc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1C(=O)[O-] ZINC000776425446 656738828 /nfs/dbraw/zinc/73/88/28/656738828.db2.gz AFHYATNBYANQQY-UHFFFAOYSA-N -2 0 383.735 2.591 20 0 GFADRL O=C([O-])c1cc2c(cc1[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)OCO2 ZINC000776444205 656742136 /nfs/dbraw/zinc/74/21/36/656742136.db2.gz ZORKPQAAALYUMP-UHFFFAOYSA-N -2 0 391.188 2.616 20 0 GFADRL COC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc1F ZINC000782917058 657192518 /nfs/dbraw/zinc/19/25/18/657192518.db2.gz CDDHIRJHXBBIIL-UHFFFAOYSA-N -2 0 388.398 2.873 20 0 GFADRL O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1ccc(Cl)c(F)c1 ZINC000852738527 661873166 /nfs/dbraw/zinc/87/31/66/661873166.db2.gz ZWIUCFMFCGYTJV-RYUDHWBXSA-N -2 0 382.741 2.575 20 0 GFADRL CC(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)[C@@H](C)c1ccc(Cl)cc1Cl ZINC000863957625 662351006 /nfs/dbraw/zinc/35/10/06/662351006.db2.gz QUCKWZISDSCCDH-UFBFGSQYSA-N -2 0 382.265 2.857 20 0 GFADRL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1occc1Br)C1CCCC1 ZINC000899930242 663702941 /nfs/dbraw/zinc/70/29/41/663702941.db2.gz PXRJQBQPIUILRJ-JTQLQIEISA-N -2 0 380.260 2.602 20 0 GFADRL O=C([O-])C1CC(NC(=O)c2cc(Br)c([O-])c(Br)c2)C1 ZINC000902651374 663765350 /nfs/dbraw/zinc/76/53/50/663765350.db2.gz DTRWHQIEJQYFJZ-UHFFFAOYSA-N -2 0 393.031 2.510 20 0 GFADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)/C=C/c2csc(C(F)(F)F)c2)C1 ZINC000910183701 664198286 /nfs/dbraw/zinc/19/82/86/664198286.db2.gz NUZAIKQVAMOLKJ-NRNXRYRJSA-N -2 0 377.340 2.557 20 0 GFADRL CCCC[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl)C(=O)[O-] ZINC000916107787 664450370 /nfs/dbraw/zinc/45/03/70/664450370.db2.gz GFCRIGCLSPIKGC-SNVBAGLBSA-N -2 0 384.237 2.613 20 0 GFADRL Cc1c(Cl)ccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc2c1COC2=O ZINC000919728837 664517223 /nfs/dbraw/zinc/51/72/23/664517223.db2.gz JCGJBSGPBFXHRT-UHFFFAOYSA-N -2 0 381.793 2.818 20 0 GFADRL O=C([O-])CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1occc1Br ZINC000926487031 664690452 /nfs/dbraw/zinc/69/04/52/664690452.db2.gz RSKWLFPHXRXWGH-KOLCDFICSA-N -2 0 380.260 2.744 20 0 GFADRL Cc1cccc(S(=O)(=O)[N-]c2ccc(F)cc2[N-]S(C)(=O)=O)c1Cl ZINC000180010057 552209633 /nfs/dbraw/zinc/20/96/33/552209633.db2.gz SOSYRCKRPHBKRD-UHFFFAOYSA-N -2 0 392.861 2.960 20 0 GFADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)cc1-n1cccn1 ZINC000190838906 552510427 /nfs/dbraw/zinc/51/04/27/552510427.db2.gz ZMUYEQXCMGJHAE-UHFFFAOYSA-N -2 0 381.797 2.926 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(OC[C@H]3CCCO3)c2)cs1 ZINC000298869961 563369436 /nfs/dbraw/zinc/36/94/36/563369436.db2.gz SVGFTQRERKVMDW-CYBMUJFWSA-N -2 0 383.447 2.805 20 0 GFADRL COc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1Br ZINC000315711873 563440995 /nfs/dbraw/zinc/44/09/95/563440995.db2.gz HLSKDRHEDCATNQ-UHFFFAOYSA-N -2 0 386.223 2.957 20 0 GFADRL COC(=O)c1sccc1S(=O)(=O)[N-]c1cccc(Cl)c1C(=O)[O-] ZINC000320390765 563446560 /nfs/dbraw/zinc/44/65/60/563446560.db2.gz DCKFLVPSECJNGN-UHFFFAOYSA-N -2 0 375.811 2.687 20 0 GFADRL CC(C)Oc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cccc1C(=O)[O-] ZINC000410395702 563589235 /nfs/dbraw/zinc/58/92/35/563589235.db2.gz DHCAPTKDOOQTOS-UHFFFAOYSA-N -3 0 385.419 2.733 20 0 GFADRL COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1Cl ZINC000438759589 563710653 /nfs/dbraw/zinc/71/06/53/563710653.db2.gz YXYWJPNAGMQKPO-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL COc1cc([N-]S(=O)(=O)c2ccc(C)o2)c(C(=O)[O-])cc1OC(F)F ZINC000539112433 564209819 /nfs/dbraw/zinc/20/98/19/564209819.db2.gz WZWNZHHWWXIIRJ-UHFFFAOYSA-N -2 0 377.321 2.697 20 0 GFADRL Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)cc1C(=O)[O-] ZINC000479273589 564434296 /nfs/dbraw/zinc/43/42/96/564434296.db2.gz FJGKJKMZXQPUIJ-UHFFFAOYSA-N -3 0 385.781 2.551 20 0 GFADRL Cc1c(Cl)cc(S(=O)(=O)Nc2cccc(F)c2C(=O)[O-])cc1C(=O)[O-] ZINC000479276145 564434768 /nfs/dbraw/zinc/43/47/68/564434768.db2.gz CLOIWFFAJHHSCY-UHFFFAOYSA-N -2 0 387.772 2.985 20 0 GFADRL COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(C)cc1C(=O)[O-] ZINC000547865840 564514225 /nfs/dbraw/zinc/51/42/25/564514225.db2.gz PAYRUGZBKIBDNN-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL CC(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)s1 ZINC000547871499 564514517 /nfs/dbraw/zinc/51/45/17/564514517.db2.gz JJAIWDROJVXHSV-UHFFFAOYSA-N -2 0 388.854 2.537 20 0 GFADRL Cc1cc(C(=O)NC(C)C)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000517124837 564525325 /nfs/dbraw/zinc/52/53/25/564525325.db2.gz CEAIDMDEOGUCSG-UHFFFAOYSA-N -2 0 382.463 2.694 20 0 GFADRL Cn1ncc([N-]S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)c1C(=O)[O-] ZINC000548283337 564547042 /nfs/dbraw/zinc/54/70/42/564547042.db2.gz RZBLTSMTYMWQBG-UHFFFAOYSA-N -2 0 383.735 2.591 20 0 GFADRL CS(=O)(=O)[N-]c1nnc(NC(=O)c2cc(Cl)c(F)cc2Cl)s1 ZINC000549931938 564609626 /nfs/dbraw/zinc/60/96/26/564609626.db2.gz MJNCRGTUSOMHMX-UHFFFAOYSA-N -2 0 385.229 2.608 20 0 GFADRL CCc1ncc(S(=O)(=O)N[C@H](CC(=O)[O-])c2ccc(SC)cc2)s1 ZINC000579469459 564747959 /nfs/dbraw/zinc/74/79/59/564747959.db2.gz FKSBRRZRTRAQRO-GFCCVEGCSA-N -2 0 386.520 2.922 20 0 GFADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2cc(Br)ccc2O)c1 ZINC000494887258 564843155 /nfs/dbraw/zinc/84/31/55/564843155.db2.gz SIECGQYTLHLDSL-UHFFFAOYSA-N -2 0 378.225 2.715 20 0 GFADRL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1cn(C)nc1C(F)(F)F ZINC000463433956 564881156 /nfs/dbraw/zinc/88/11/56/564881156.db2.gz GBPKMXZWOZPBBC-UHFFFAOYSA-N -2 0 397.762 2.900 20 0 GFADRL Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc3c(c(C(=O)[O-])c2)OCCO3)c1 ZINC000498016407 564885055 /nfs/dbraw/zinc/88/50/55/564885055.db2.gz QXHHOHPTBWQPMX-UHFFFAOYSA-N -2 0 383.809 2.919 20 0 GFADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000558460129 564901856 /nfs/dbraw/zinc/90/18/56/564901856.db2.gz ZQVOGYLHMDXVRQ-SECBINFHSA-N -2 0 383.447 2.819 20 0 GFADRL COc1cc(OC)c([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)cc1F ZINC000531527142 564912098 /nfs/dbraw/zinc/91/20/98/564912098.db2.gz JWJLLXZAKXDLDV-UHFFFAOYSA-N -2 0 375.399 2.712 20 0 GFADRL COc1ccc(Br)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C)o1 ZINC000536902594 565049009 /nfs/dbraw/zinc/04/90/09/565049009.db2.gz YRKGXCYIRYMCGT-UHFFFAOYSA-N -2 0 390.211 2.858 20 0 GFADRL COc1cc(F)c(S(=O)(=O)[N-]c2cc(F)c(F)cc2C(=O)[O-])c(F)c1 ZINC000590903546 565209800 /nfs/dbraw/zinc/20/98/00/565209800.db2.gz YQZMGCQTMKBXAK-UHFFFAOYSA-N -2 0 379.287 2.751 20 0 GFADRL Cc1nn(C)c(S(=O)(=O)[N-]c2cc(C)cc(F)c2C(=O)[O-])c1C(F)F ZINC000663265167 565405302 /nfs/dbraw/zinc/40/53/02/565405302.db2.gz CGJYDZLOTMTVNE-UHFFFAOYSA-N -2 0 377.344 2.613 20 0 GFADRL CCc1ncc(S(=O)(=O)[N-][C@@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)s1 ZINC000646048447 565584922 /nfs/dbraw/zinc/58/49/22/565584922.db2.gz NAKDFWLBUDFRIS-LBPRGKRZSA-N -2 0 394.396 2.986 20 0 GFADRL COC(=O)c1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1Cl ZINC000609819337 566053345 /nfs/dbraw/zinc/05/33/45/566053345.db2.gz JPKKSSAJXRNKDO-UHFFFAOYSA-N -2 0 375.811 2.687 20 0 GFADRL C[C@H]1CCc2c(=O)n(-c3ccc(S(=O)(=O)[N-]c4nccs4)cc3)[n-]c21 ZINC000634617131 566160603 /nfs/dbraw/zinc/16/06/03/566160603.db2.gz GUYHVJOLTFMACC-GXFFZTMASA-N -2 0 376.463 2.693 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Sc3nncs3)cc2)o1 ZINC000740187431 599738269 /nfs/dbraw/zinc/73/82/69/599738269.db2.gz KDMDIOUCTDHBDV-UHFFFAOYSA-N -2 0 383.432 2.781 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc3ncsc3c2)c(C(=O)[O-])s1 ZINC000737680786 599813665 /nfs/dbraw/zinc/81/36/65/599813665.db2.gz LKOMQNLRIAIASS-UHFFFAOYSA-N -2 0 398.443 2.643 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c(C(=O)[O-])s1 ZINC000737681919 599814457 /nfs/dbraw/zinc/81/44/57/599814457.db2.gz WILZCRGEGFMCBM-UHFFFAOYSA-N -2 0 375.811 2.687 20 0 GFADRL CCOCc1cccc([N-]S(=O)(=O)c2cc(C(=O)OC)sc2C(=O)[O-])c1 ZINC000737177783 599815585 /nfs/dbraw/zinc/81/55/85/599815585.db2.gz KDZNRYYUTVWGPJ-UHFFFAOYSA-N -2 0 399.446 2.570 20 0 GFADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)c(Cl)c1 ZINC000737702411 599853229 /nfs/dbraw/zinc/85/32/29/599853229.db2.gz MLYOEYAAGCKHSP-UHFFFAOYSA-N -2 0 397.836 2.945 20 0 GFADRL COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc3ccccc3n2)c1 ZINC000737654767 599883381 /nfs/dbraw/zinc/88/33/81/599883381.db2.gz UVUBVSATWMUMNH-UHFFFAOYSA-N -2 0 386.385 2.520 20 0 GFADRL Cn1nc(CC(C)(C)C)cc1[N-]S(=O)(=O)c1ccc(OCCC(=O)[O-])cc1 ZINC000739051850 599886443 /nfs/dbraw/zinc/88/64/43/599886443.db2.gz YHWOQKFMUSKOCK-UHFFFAOYSA-N -2 0 395.481 2.663 20 0 GFADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccccc1C(=O)NCC(C)C ZINC000477428772 599905038 /nfs/dbraw/zinc/90/50/38/599905038.db2.gz PTARVLFANLJNDU-UHFFFAOYSA-N -2 0 390.461 2.880 20 0 GFADRL CCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000675628365 599905127 /nfs/dbraw/zinc/90/51/27/599905127.db2.gz URCHIQLOTQBZBQ-UHFFFAOYSA-N -2 0 376.434 2.634 20 0 GFADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1C(=O)NC(C)C ZINC000264600193 599907642 /nfs/dbraw/zinc/90/76/42/599907642.db2.gz CLMIDRCUIABZFU-UHFFFAOYSA-N -2 0 382.463 2.694 20 0 GFADRL O=C([O-])CSCc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000739874239 599927991 /nfs/dbraw/zinc/92/79/91/599927991.db2.gz OXRQPNBRTIRSEE-UHFFFAOYSA-N -3 0 387.460 2.565 20 0 GFADRL CCn1c(=O)c2ccc(C(=O)Nc3ccc(C(=O)[O-])c(C)c3)cc2[n-]c1=S ZINC000737295078 599949550 /nfs/dbraw/zinc/94/95/50/599949550.db2.gz BTOCOHNMLOUYRM-UHFFFAOYSA-N -2 0 383.429 2.964 20 0 GFADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)c2cccc(OC3CCCC3)c2)c1 ZINC000740235693 599965522 /nfs/dbraw/zinc/96/55/22/599965522.db2.gz JLEIHOQCCSEUTQ-UHFFFAOYSA-N -2 0 389.429 2.825 20 0 GFADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccnn1Cc1ccccc1F ZINC000738276917 599966215 /nfs/dbraw/zinc/96/62/15/599966215.db2.gz LUPSXZIDGWZKRF-UHFFFAOYSA-N -2 0 389.408 2.878 20 0 GFADRL Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Oc1ccc(C(=O)[O-])cc1Cl ZINC000738873699 599982998 /nfs/dbraw/zinc/98/29/98/599982998.db2.gz ZVUPMOLHQIKCKM-UHFFFAOYSA-N -2 0 375.768 2.551 20 0 GFADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(NC(=O)C3CC3)nc2)c1 ZINC000740133673 599983415 /nfs/dbraw/zinc/98/34/15/599983415.db2.gz AAUYCZWMMSNZHT-UHFFFAOYSA-N -2 0 395.824 2.583 20 0 GFADRL CCCCN1C(=O)N[C@@H](c2ccc(OCCC(=O)[O-])cc2)C(C(=O)[O-])=C1C ZINC000736994558 599983849 /nfs/dbraw/zinc/98/38/49/599983849.db2.gz WZCCRSACXKYORR-KRWDZBQOSA-N -2 0 376.409 2.765 20 0 GFADRL CCCCN1C(=O)N[C@@H](c2cccc(O[C@@H](C)C(=O)[O-])c2)C(C(=O)[O-])=C1C ZINC000736993879 599983896 /nfs/dbraw/zinc/98/38/96/599983896.db2.gz JREGGGWOKZQTBL-LRDDRELGSA-N -2 0 376.409 2.764 20 0 GFADRL COc1ccc([C@H]2NC(=O)N(CCCCCC(=O)[O-])C(C)=C2C(=O)[O-])cc1F ZINC000737986538 599988547 /nfs/dbraw/zinc/98/85/47/599988547.db2.gz LWPWUVQPJNUBKX-QGZVFWFLSA-N -2 0 394.399 2.904 20 0 GFADRL CCn1c(=O)c2ccc(C(=O)OCc3cccc(C(=O)[O-])c3)cc2[n-]c1=S ZINC000737295675 600044687 /nfs/dbraw/zinc/04/46/87/600044687.db2.gz MBTYXWQQBLLXTK-UHFFFAOYSA-N -2 0 384.413 2.760 20 0 GFADRL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]c1ccc(Cl)c(C(=O)[O-])c1 ZINC000066583925 600093382 /nfs/dbraw/zinc/09/33/82/600093382.db2.gz ASTYJOUFCXAGNT-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL Cc1cccc(C[C@@H](C[N-]S(=O)(=O)c2c(F)cc(F)cc2F)C(=O)[O-])c1 ZINC000547568410 600096204 /nfs/dbraw/zinc/09/62/04/600096204.db2.gz HCAUCLXMGUCTLF-LBPRGKRZSA-N -2 0 387.379 2.634 20 0 GFADRL COC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000737654815 600232286 /nfs/dbraw/zinc/23/22/86/600232286.db2.gz VTWJMGZPLMRCQM-UHFFFAOYSA-N -2 0 385.344 2.559 20 0 GFADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(-c3cnc(C4CC4)o3)cc2)c1C(=O)[O-] ZINC000738829957 600232642 /nfs/dbraw/zinc/23/26/42/600232642.db2.gz VQUUBWXZVHPIQY-UHFFFAOYSA-N -2 0 388.405 2.750 20 0 GFADRL CCOc1ccc(OC)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000737204297 600236574 /nfs/dbraw/zinc/23/65/74/600236574.db2.gz YJBXBGSYNBAFRO-UHFFFAOYSA-N -2 0 387.360 2.871 20 0 GFADRL CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2OC(F)F)c1 ZINC000736196313 600236909 /nfs/dbraw/zinc/23/69/09/600236909.db2.gz MOCJRQXLJBHHPP-UHFFFAOYSA-N -2 0 385.344 2.990 20 0 GFADRL O=C([O-])c1ccc2nc(SCC3=Nc4ccccc4S(=O)(=O)[N-]3)oc2c1 ZINC000740212711 600277156 /nfs/dbraw/zinc/27/71/56/600277156.db2.gz QYVGVHVERLIPDP-UHFFFAOYSA-N -2 0 389.414 2.640 20 0 GFADRL CN(Cc1ccc([N-]S(=O)(=O)c2c(Cl)nc3ccccn32)cc1)C(=O)[O-] ZINC000737485682 600300206 /nfs/dbraw/zinc/30/02/06/600300206.db2.gz AQIVEMPWLOXNGT-UHFFFAOYSA-N -2 0 394.840 2.898 20 0 GFADRL CN(CCCC(=O)[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000737426237 600440648 /nfs/dbraw/zinc/44/06/48/600440648.db2.gz APLGZHFDKZIGOK-UHFFFAOYSA-N -2 0 376.434 2.549 20 0 GFADRL COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(Cl)c1 ZINC000060554410 600482769 /nfs/dbraw/zinc/48/27/69/600482769.db2.gz VQBNQFNQAQSWJJ-UHFFFAOYSA-N -2 0 375.811 2.687 20 0 GFADRL CC(C)(C)c1nsc([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])n1 ZINC000736306988 600576579 /nfs/dbraw/zinc/57/65/79/600576579.db2.gz ZPNCSQWZSGDZLI-UHFFFAOYSA-N -2 0 375.859 2.988 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)cc(C(=O)[O-])c1 ZINC000737947353 600637916 /nfs/dbraw/zinc/63/79/16/600637916.db2.gz HOVLXGQGNKPEFP-UHFFFAOYSA-N -3 0 385.781 2.546 20 0 GFADRL Cc1cc(C(=O)N2CCCC2)ccc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000299487918 600678387 /nfs/dbraw/zinc/67/83/87/600678387.db2.gz MHYJUSKCYKTXMP-UHFFFAOYSA-N -2 0 394.474 2.792 20 0 GFADRL CCOC(=O)N(C)c1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1 ZINC000829857896 600678590 /nfs/dbraw/zinc/67/85/90/600678590.db2.gz UWWHNUJDCOFBFE-UHFFFAOYSA-N -2 0 384.435 2.840 20 0 GFADRL Cc1nnc(-c2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3F)cc2)o1 ZINC000738934387 600679133 /nfs/dbraw/zinc/67/91/33/600679133.db2.gz QHUJSKQRIBHORP-UHFFFAOYSA-N -2 0 377.353 2.683 20 0 GFADRL CCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000829739975 600682740 /nfs/dbraw/zinc/68/27/40/600682740.db2.gz BINOIOWDOYPUHG-UHFFFAOYSA-N -2 0 383.809 2.952 20 0 GFADRL COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1C(=O)[O-] ZINC000831434816 600689503 /nfs/dbraw/zinc/68/95/03/600689503.db2.gz FHZOWTOTZFAUHP-UHFFFAOYSA-N -2 0 375.811 2.687 20 0 GFADRL Cn1cc(S(=O)(=O)[N-]c2ccc(Oc3ccc(F)cc3)nc2)cc1C(=O)[O-] ZINC000614831743 600811990 /nfs/dbraw/zinc/81/19/90/600811990.db2.gz YDNROIDZFVTVIF-UHFFFAOYSA-N -2 0 391.380 2.851 20 0 GFADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(Br)c(C)n1 ZINC000320190033 600829149 /nfs/dbraw/zinc/82/91/49/600829149.db2.gz ABKHPYBZXDQDIO-UHFFFAOYSA-N -2 0 385.239 2.960 20 0 GFADRL Cn1cc(S(=O)(=O)[N-]c2nc3ccccc3n2C2CCCC2)cc1C(=O)[O-] ZINC000833055229 600830591 /nfs/dbraw/zinc/83/05/91/600830591.db2.gz CXZQBRKVCFIWHW-UHFFFAOYSA-N -2 0 388.449 2.989 20 0 GFADRL O=C([O-])c1c2c(sc1NC(=O)C(=O)[N-]OCc1ccccc1)CCCCC2 ZINC000833149060 600852603 /nfs/dbraw/zinc/85/26/03/600852603.db2.gz ZFFDYOSXVITQQB-UHFFFAOYSA-N -2 0 388.445 2.902 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2C(=O)N(C)C)ccc1C(=O)[O-] ZINC000506708810 600888728 /nfs/dbraw/zinc/88/87/28/600888728.db2.gz UVYHHLPYUFTNPS-UHFFFAOYSA-N -2 0 396.852 2.849 20 0 GFADRL O=C([O-])C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c2ccccc21 ZINC000363259085 600895519 /nfs/dbraw/zinc/89/55/19/600895519.db2.gz LNMQFPRWMAIPCX-LLVKDONJSA-N -2 0 395.820 2.805 20 0 GFADRL COc1ccc(S(=O)(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)cc1C(=O)[O-] ZINC000525329932 600899488 /nfs/dbraw/zinc/89/94/88/600899488.db2.gz XDKHQQUMHMVHAT-UHFFFAOYSA-N -2 0 393.417 2.556 20 0 GFADRL CCCOc1ccc(CCC(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])cc1 ZINC000829532380 600938059 /nfs/dbraw/zinc/93/80/59/600938059.db2.gz GQUUXQWBOMJKDZ-UHFFFAOYSA-N -2 0 397.474 2.673 20 0 GFADRL C[C@@H](CC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1ccccc1C(F)(F)F ZINC000827234341 600946739 /nfs/dbraw/zinc/94/67/39/600946739.db2.gz DICVUJVVPSADBJ-JTQLQIEISA-N -2 0 381.372 2.510 20 0 GFADRL CCc1csc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Br)n1 ZINC000830299111 600978648 /nfs/dbraw/zinc/97/86/48/600978648.db2.gz JFMVKZOUHLFNJT-UHFFFAOYSA-N -2 0 391.268 2.967 20 0 GFADRL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(Br)cn2)c1 ZINC000833297732 600979565 /nfs/dbraw/zinc/97/95/65/600979565.db2.gz SRKBFPXKQSBLSY-UHFFFAOYSA-N -2 0 391.630 2.997 20 0 GFADRL CN(C)c1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c(C(F)(F)F)c1 ZINC000830639733 600981183 /nfs/dbraw/zinc/98/11/83/600981183.db2.gz OFRBVHYBWUFUCM-UHFFFAOYSA-N -2 0 377.344 2.599 20 0 GFADRL COCc1ccc([C@H]2NC(=O)N(CCCCC(=O)[O-])C(C)=C2C(=O)[O-])cc1 ZINC000737834745 601046327 /nfs/dbraw/zinc/04/63/27/601046327.db2.gz YOERCUJJFCXVLL-QGZVFWFLSA-N -2 0 376.409 2.513 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2sc(C)cc2Br)c(C(=O)[O-])[nH]1 ZINC000738463889 601049029 /nfs/dbraw/zinc/04/90/29/601049029.db2.gz SCXVEEUCQBRGOT-UHFFFAOYSA-N -2 0 379.257 2.955 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCCCC2)cc1C(=O)[O-] ZINC000833030450 601231725 /nfs/dbraw/zinc/23/17/25/601231725.db2.gz WYOQDYBJAMJKQO-UHFFFAOYSA-N -2 0 392.433 2.713 20 0 GFADRL COC(=O)c1cc2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(C)o3)ccc2o1 ZINC000831353415 601231924 /nfs/dbraw/zinc/23/19/24/601231924.db2.gz KLVOGZHBWIDSAJ-UHFFFAOYSA-N -2 0 379.346 2.620 20 0 GFADRL CCc1ccc(O)c([N-]S(=O)(=O)c2sc(C(=O)OC)c(C)c2C(=O)[O-])c1 ZINC000830254292 601250920 /nfs/dbraw/zinc/25/09/20/601250920.db2.gz XSPKMFUDPWGZCD-UHFFFAOYSA-N -2 0 399.446 2.610 20 0 GFADRL CCC(CC)(NC(=O)c1ccc([N-]S(=O)(=O)C(F)(F)F)c(C)c1)C(=O)[O-] ZINC000808519984 601290604 /nfs/dbraw/zinc/29/06/04/601290604.db2.gz JJQUWXFVAFNDLV-UHFFFAOYSA-N -2 0 396.387 2.630 20 0 GFADRL O=C([O-])c1cc(C(F)(F)F)cc(S(=O)(=O)[N-]C(=O)[C@@H]2CC23CCCC3)c1 ZINC000833298262 601303028 /nfs/dbraw/zinc/30/30/28/601303028.db2.gz QYIRAYIRLMJEEE-LBPRGKRZSA-N -2 0 391.367 2.789 20 0 GFADRL CC(C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000826980557 601323470 /nfs/dbraw/zinc/32/34/70/601323470.db2.gz PTRLZPLWXMQMCR-XFXZXTDPSA-N -2 0 388.445 2.723 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-n2cccn2)c(F)c1 ZINC000055649363 601323674 /nfs/dbraw/zinc/32/36/74/601323674.db2.gz CPYDYHMCIQCDBP-UHFFFAOYSA-N -2 0 391.380 2.519 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)c1C ZINC000736421519 601331280 /nfs/dbraw/zinc/33/12/80/601331280.db2.gz VQGUQWSCXAOTJH-AWEZNQCLSA-N -2 0 389.429 2.769 20 0 GFADRL CCc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)n(C)n1 ZINC000830223979 601360816 /nfs/dbraw/zinc/36/08/16/601360816.db2.gz CMTVBQMWWDKJMQ-UHFFFAOYSA-N -2 0 378.237 2.788 20 0 GFADRL Cc1ccccc1-n1nccc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000738323407 601361186 /nfs/dbraw/zinc/36/11/86/601361186.db2.gz GAPCDTRDBZIYRB-UHFFFAOYSA-N -2 0 375.381 2.819 20 0 GFADRL C/C(=C/COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1)C(=O)[O-] ZINC000825780843 601426665 /nfs/dbraw/zinc/42/66/65/601426665.db2.gz JNKXQUIECIBWCS-KAMYIIQDSA-N -2 0 389.429 2.984 20 0 GFADRL Cc1[nH]nc(S(=O)(=O)[N-]c2cc(Cc3ccccc3)ccc2O)c1C(=O)[O-] ZINC000832990701 601475399 /nfs/dbraw/zinc/47/53/99/601475399.db2.gz FHSZLSPANAALJO-UHFFFAOYSA-N -2 0 387.417 2.514 20 0 GFADRL Cc1ccc([N-]S(=O)(=O)c2ccsc2C(=O)NCC(C)(C)C(=O)[O-])cc1 ZINC000832950167 601711425 /nfs/dbraw/zinc/71/14/25/601711425.db2.gz DVWFOCJGYJTGMP-UHFFFAOYSA-N -2 0 396.490 2.698 20 0 GFADRL O=C([O-])N1CCC[C@H](NC(=O)c2cc(Cl)cc(Br)c2[O-])C1 ZINC000833130369 601756944 /nfs/dbraw/zinc/75/69/44/601756944.db2.gz OWEYHBCHYSHXBO-QMMMGPOBSA-N -2 0 377.622 2.680 20 0 GFADRL O=C([O-])c1cc(Br)ccc1S(=O)(=O)[N-]c1cc(Cl)ccn1 ZINC000833296095 601769340 /nfs/dbraw/zinc/76/93/40/601769340.db2.gz QILXOKMWAZCXTG-UHFFFAOYSA-N -2 0 391.630 2.997 20 0 GFADRL Cn1cc([N-]S(=O)(=O)c2cc(Cl)c(Cl)c(C(=O)[O-])c2)cc1C(=O)[O-] ZINC000833050997 601783781 /nfs/dbraw/zinc/78/37/81/601783781.db2.gz PYKFUVSLAQGKOM-UHFFFAOYSA-N -3 0 393.204 2.529 20 0 GFADRL CC(C)c1nc(-c2ccccc2[N-]S(=O)(=O)c2csnc2C(=O)[O-])n[nH]1 ZINC000827144591 601835558 /nfs/dbraw/zinc/83/55/58/601835558.db2.gz OUZZEVDFCNEVOK-UHFFFAOYSA-N -2 0 393.450 2.551 20 0 GFADRL CC(=O)Nc1ccc(C)cc1[N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000751142720 601840901 /nfs/dbraw/zinc/84/09/01/601840901.db2.gz LCOLUKOCNXIVHK-UHFFFAOYSA-N -2 0 384.360 2.731 20 0 GFADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ccc(OCc2ccncc2)cc1 ZINC000833345864 601841651 /nfs/dbraw/zinc/84/16/51/601841651.db2.gz GZTPRIJKJRTAPH-UHFFFAOYSA-N -2 0 391.430 2.616 20 0 GFADRL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccnn1CCc1ccccc1 ZINC000833293536 601847662 /nfs/dbraw/zinc/84/76/62/601847662.db2.gz BFDATNSTBPGAFR-UHFFFAOYSA-N -2 0 389.408 2.764 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2O[C@@H]2CCOC2)c1C ZINC000532099889 601854904 /nfs/dbraw/zinc/85/49/04/601854904.db2.gz VBWQTBXUUSDRSK-OAHLLOKOSA-N -2 0 391.445 2.970 20 0 GFADRL Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3cccc(F)c3C(=O)[O-])cn2)n1 ZINC000832880488 601857791 /nfs/dbraw/zinc/85/77/91/601857791.db2.gz RWYMOSYACNXGOY-UHFFFAOYSA-N -2 0 390.396 2.522 20 0 GFADRL Cc1nnc(-c2ccc([N-]S(=O)(=O)c3cccc(F)c3C(=O)[O-])cc2)o1 ZINC000833017208 601863510 /nfs/dbraw/zinc/86/35/10/601863510.db2.gz ACLGIJYQBVBHLX-UHFFFAOYSA-N -2 0 377.353 2.683 20 0 GFADRL CCC[C@H](NC(=O)[O-])C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000739325913 601935918 /nfs/dbraw/zinc/93/59/18/601935918.db2.gz LHZLPOFLIJLRJL-INIZCTEOSA-N -2 0 391.449 2.862 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2nnc(-c3ccco3)s2)c1C ZINC000832866630 602101642 /nfs/dbraw/zinc/10/16/42/602101642.db2.gz OKNFIZTVLHRZNF-UHFFFAOYSA-N -2 0 379.419 2.914 20 0 GFADRL CC(C)(c1nnc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)s1)c1ccccc1 ZINC000826642251 602104294 /nfs/dbraw/zinc/10/42/94/602104294.db2.gz TYLXVJHVCQDRBQ-UHFFFAOYSA-N -2 0 392.462 2.691 20 0 GFADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cs2)c(Cl)c1 ZINC000831444466 602115768 /nfs/dbraw/zinc/11/57/68/602115768.db2.gz CYBDZPACGHXHHD-UHFFFAOYSA-N -2 0 375.811 2.687 20 0 GFADRL COc1cc(OC)c(OC)cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000481592419 602202694 /nfs/dbraw/zinc/20/26/94/602202694.db2.gz NLEJGVHDUROIIK-UHFFFAOYSA-N -2 0 381.406 2.520 20 0 GFADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-][C@H](Cc2ccccc2)C(F)(F)F)c1 ZINC000833318682 602213534 /nfs/dbraw/zinc/21/35/34/602213534.db2.gz BWDOSTLPNAWVAA-CQSZACIVSA-N -2 0 391.342 2.976 20 0 GFADRL CSc1cc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c(Cl)cc1Cl ZINC000832771014 602257528 /nfs/dbraw/zinc/25/75/28/602257528.db2.gz VAFBKEMLMHRJCM-UHFFFAOYSA-N -2 0 386.278 2.640 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cn(C)nc2-c2ccccn2)c1C ZINC000832866133 602309524 /nfs/dbraw/zinc/30/95/24/602309524.db2.gz DZIMVRCVXQGPOJ-UHFFFAOYSA-N -2 0 386.433 2.598 20 0 GFADRL CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)[O-] ZINC000739722188 602367337 /nfs/dbraw/zinc/36/73/37/602367337.db2.gz HEIKUSWDLUWCLO-RTXFEEFZSA-N -2 0 390.465 2.666 20 0 GFADRL COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc([C@@H](C)NC(=O)[O-])cc2)c1 ZINC000829499914 603401571 /nfs/dbraw/zinc/40/15/71/603401571.db2.gz DEVYLKHWOYNQAI-LLVKDONJSA-N -2 0 380.422 2.833 20 0 GFADRL CCn1cnc(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])cc2C(F)(F)F)c1 ZINC000827707333 603631470 /nfs/dbraw/zinc/63/14/70/603631470.db2.gz SAFVZAJWSBPUEY-UHFFFAOYSA-N -2 0 378.332 2.813 20 0 GFADRL C[C@@H]1CN(C(=O)c2cc(Cl)cc(Br)c2[O-])CC[C@@H]1NC(=O)[O-] ZINC000826034576 603838811 /nfs/dbraw/zinc/83/88/11/603838811.db2.gz KSLJVOGGKFPATL-HQJQHLMTSA-N -2 0 391.649 2.926 20 0 GFADRL Cc1ccc(-n2[n-]c(C(=O)Nc3cccc4c3CCN4C(=O)[O-])cc2=O)cc1 ZINC000830165024 603957458 /nfs/dbraw/zinc/95/74/58/603957458.db2.gz IPUFASFHBVUFFT-UHFFFAOYSA-N -2 0 378.388 2.767 20 0 GFADRL Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]C(=O)[C@H]1CC[C@H](NC(=O)[O-])C1 ZINC000830245846 604208292 /nfs/dbraw/zinc/20/82/92/604208292.db2.gz UCWRFJJHDCFPIV-JSGCOSHPSA-N -2 0 382.482 2.534 20 0 GFADRL C[C@H](CC(=O)[N-]S(=O)(=O)[C@H](C)c1ccccc1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824678941 604416941 /nfs/dbraw/zinc/41/69/41/604416941.db2.gz GYROKDSWUJXRNK-IIAWOOMASA-N -2 0 382.482 2.610 20 0 GFADRL CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC000833738217 604572695 /nfs/dbraw/zinc/57/26/95/604572695.db2.gz TWOSGEXYRIBPQE-UHFFFAOYSA-N -2 0 394.474 2.877 20 0 GFADRL CCc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(C(=O)[O-])nc3)c2)n1 ZINC000833678620 604690295 /nfs/dbraw/zinc/69/02/95/604690295.db2.gz IRBFQOQNCKQWGQ-UHFFFAOYSA-N -2 0 388.405 2.501 20 0 GFADRL CC(C)C[C@H](OC(=O)c1ccc(S(=O)(=O)[N-]c2nccs2)cc1)C(=O)[O-] ZINC000833481115 604898731 /nfs/dbraw/zinc/89/87/31/604898731.db2.gz SZUWRZGOHPCPHI-ZDUSSCGKSA-N -2 0 398.462 2.600 20 0 GFADRL Cc1cnn(-c2ccc(C)cc2[N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)c1 ZINC000832909450 605010304 /nfs/dbraw/zinc/01/03/04/605010304.db2.gz NGCTWXJGXADCNE-UHFFFAOYSA-N -2 0 375.406 2.890 20 0 GFADRL C[C@@H](OC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccccc1)C(=O)[O-] ZINC000737707213 605013552 /nfs/dbraw/zinc/01/35/52/605013552.db2.gz STNQKYVQLPRQLN-SNVBAGLBSA-N -2 0 383.809 2.771 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1n[nH]c2c1cccc2Cl ZINC000831950796 605013641 /nfs/dbraw/zinc/01/36/41/605013641.db2.gz WUCQDLLNTBNWAS-UHFFFAOYSA-N -2 0 387.826 2.785 20 0 GFADRL C[C@@H](CCCc1ccccc1)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000833515338 605084881 /nfs/dbraw/zinc/08/48/81/605084881.db2.gz PPIMJMFTNMGQBC-LBPRGKRZSA-N -2 0 381.475 2.910 20 0 GFADRL Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)cc1C(=O)[O-] ZINC000753774660 605166928 /nfs/dbraw/zinc/16/69/28/605166928.db2.gz MARRZNYZFRWALL-UHFFFAOYSA-N -3 0 387.772 2.985 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cc1Br ZINC000833733059 605188113 /nfs/dbraw/zinc/18/81/13/605188113.db2.gz BIRRJWIQACFTNW-UHFFFAOYSA-N -2 0 376.184 2.550 20 0 GFADRL O=C([O-])c1csc(NC(=O)c2cccc([N-]S(=O)(=O)C(F)(F)F)c2)c1 ZINC000833784733 605243424 /nfs/dbraw/zinc/24/34/24/605243424.db2.gz LDZCKWGFHQLTTK-UHFFFAOYSA-N -2 0 394.352 2.960 20 0 GFADRL O=C([O-])Nc1ccc(C(=O)[N-]S(=O)(=O)Cc2cccc(F)c2)c(Cl)c1 ZINC000834257048 605640052 /nfs/dbraw/zinc/64/00/52/605640052.db2.gz XGXKLBHKAJGVOH-UHFFFAOYSA-N -2 0 386.788 2.829 20 0 GFADRL O=C([O-])N[C@@H](CCC(=O)N[C@]1(C(=O)[O-])CCc2ccccc21)c1ccccc1 ZINC000834137731 606052139 /nfs/dbraw/zinc/05/21/39/606052139.db2.gz OKMUONALOLVBCO-LAUBAEHRSA-N -2 0 382.416 2.818 20 0 GFADRL CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]c1c(C)ccc(Cl)c1C(=O)[O-] ZINC000821185103 660318250 /nfs/dbraw/zinc/31/82/50/660318250.db2.gz KFGADQOIHSOLLE-NSHDSACASA-N -2 0 377.846 2.820 20 0 GFADRL C[C@@H](c1ccc(Cl)cc1Cl)S(=O)(=O)[N-]C(=O)CCCN(C)C(=O)[O-] ZINC000833548355 660808422 /nfs/dbraw/zinc/80/84/22/660808422.db2.gz NVQORTRPLQSXJP-VIFPVBQESA-N -2 0 397.280 2.890 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)nc2)c(C)c1C(=O)[O-] ZINC000156365443 655092028 /nfs/dbraw/zinc/09/20/28/655092028.db2.gz FJZKNUUWPKKFQR-UHFFFAOYSA-N -2 0 385.239 2.960 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)nc2)c(Br)s1 ZINC000165820899 655140733 /nfs/dbraw/zinc/14/07/33/655140733.db2.gz DQSAGTNUMQRAJQ-UHFFFAOYSA-N -2 0 381.204 2.544 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)cnc1Br ZINC000181175802 655333437 /nfs/dbraw/zinc/33/34/37/655333437.db2.gz IIHQEGNODYIHRC-UHFFFAOYSA-N -2 0 385.239 2.960 20 0 GFADRL COc1cc(OC)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1Cl ZINC000326708898 655385179 /nfs/dbraw/zinc/38/51/79/655385179.db2.gz YHNYWIKVJUDCTF-UHFFFAOYSA-N -2 0 389.788 2.995 20 0 GFADRL COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)c1 ZINC000327434242 655386130 /nfs/dbraw/zinc/38/61/30/655386130.db2.gz IZSGXIDXHMWRFO-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL COc1cc(S(=O)(=O)[N-]c2cnc(Cl)cc2C)cc(C(=O)[O-])c1OC ZINC000327554607 655386330 /nfs/dbraw/zinc/38/63/30/655386330.db2.gz BPXCEVPKTLIMSZ-UHFFFAOYSA-N -2 0 386.813 2.560 20 0 GFADRL O=C([O-])c1cc(F)c(F)cc1[N-]S(=O)(=O)c1c(Cl)nc2sccn21 ZINC000728855440 655559289 /nfs/dbraw/zinc/55/92/89/655559289.db2.gz ZTYAQZRJKKVWMY-UHFFFAOYSA-N -2 0 393.780 2.826 20 0 GFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)cc1C(=O)[O-] ZINC000731901568 655588994 /nfs/dbraw/zinc/58/89/94/655588994.db2.gz AZNIZESJYDHQDY-UHFFFAOYSA-N -2 0 391.188 2.586 20 0 GFADRL COc1c(F)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)cc1F ZINC000756936794 655907074 /nfs/dbraw/zinc/90/70/74/655907074.db2.gz SORMHTXBDKJTME-UHFFFAOYSA-N -2 0 379.287 2.751 20 0 GFADRL Cc1cc(S(=O)(=O)Nc2cccc(F)c2C(=O)[O-])cc(C(=O)[O-])c1Cl ZINC000759089347 655946858 /nfs/dbraw/zinc/94/68/58/655946858.db2.gz KRLHCXCBXRACSP-UHFFFAOYSA-N -2 0 387.772 2.985 20 0 GFADRL Cc1cc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2F)cc(C(=O)[O-])c1Cl ZINC000759094843 655947362 /nfs/dbraw/zinc/94/73/62/655947362.db2.gz NOFBTEQYBHALPE-UHFFFAOYSA-N -2 0 387.772 2.985 20 0 GFADRL Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC000767734426 656217537 /nfs/dbraw/zinc/21/75/37/656217537.db2.gz CQIPOGDQURILFI-UHFFFAOYSA-N -2 0 387.772 2.985 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnn(CC3CC3)c2)c(F)c(Cl)c1F ZINC000779839542 656948139 /nfs/dbraw/zinc/94/81/39/656948139.db2.gz QSNOWTALEAPPRV-UHFFFAOYSA-N -2 0 391.783 2.724 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)ccc2O)c(F)c(Cl)c1F ZINC000779838492 656948448 /nfs/dbraw/zinc/94/84/48/656948448.db2.gz DEMYLTQEHNALIE-UHFFFAOYSA-N -2 0 381.715 2.962 20 0 GFADRL O=C([O-])c1cc(F)c(F)c(S(=O)(=O)[N-]CC(F)(F)c2ccccc2)c1 ZINC000788741449 657781883 /nfs/dbraw/zinc/78/18/83/657781883.db2.gz IKJOQKAVSPIZNX-UHFFFAOYSA-N -2 0 377.315 2.733 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)c1Cl ZINC000788753862 657782932 /nfs/dbraw/zinc/78/29/32/657782932.db2.gz ORTMINVUQXDSQN-UHFFFAOYSA-N -3 0 385.781 2.551 20 0 GFADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(OC(F)F)nc2)c1 ZINC000802722777 659496139 /nfs/dbraw/zinc/49/61/39/659496139.db2.gz INUMRTJVFHOJLE-UHFFFAOYSA-N -2 0 378.740 2.835 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc3c2COC3=O)c1Cl ZINC000808128086 659879589 /nfs/dbraw/zinc/87/95/89/659879589.db2.gz DKRLVGKHEDIPIO-UHFFFAOYSA-N -2 0 381.793 2.818 20 0 GFADRL CC(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)[C@H](C)c1ccc(Cl)cc1Cl ZINC000863957622 662351000 /nfs/dbraw/zinc/35/10/00/662351000.db2.gz QUCKWZISDSCCDH-PELKAZGASA-N -2 0 382.265 2.857 20 0 GFADRL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Br)C(F)(F)F ZINC000871962984 662747020 /nfs/dbraw/zinc/74/70/20/662747020.db2.gz JYCWJIXPUPBVDZ-BYPYZUCNSA-N -2 0 394.140 2.516 20 0 GFADRL O=C([O-])[C@@H]1CC[C@H](C(=O)N2CC[C@H](C(=O)[O-])c3cc(Br)ccc32)C1 ZINC000902325636 663759647 /nfs/dbraw/zinc/75/96/47/663759647.db2.gz SDBOPMNMJLEJLW-UMNHJUIQSA-N -2 0 396.237 2.855 20 0 GFADRL COC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)[O-])c1 ZINC000920314068 664524781 /nfs/dbraw/zinc/52/47/81/664524781.db2.gz CEVDLKOUVCEDJT-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)c(Br)c2)c[nH]1 ZINC000126548562 551330942 /nfs/dbraw/zinc/33/09/42/551330942.db2.gz RGEUADHEKKHDPO-UHFFFAOYSA-N -2 0 379.619 2.930 20 0 GFADRL Cn1cc(-c2cc(F)ccc2[N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cn1 ZINC000370572569 563248712 /nfs/dbraw/zinc/24/87/12/563248712.db2.gz RNPXOHOJORDKOQ-UHFFFAOYSA-N -2 0 381.410 2.787 20 0 GFADRL C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)N=c2nc(-c3ccccc3Cl)[n-]s2)C1 ZINC000422534203 563342156 /nfs/dbraw/zinc/34/21/56/563342156.db2.gz AHSBPVFXBQAZNU-VHSXEESVSA-N -2 0 380.857 2.855 20 0 GFADRL CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1 ZINC000298838798 563368104 /nfs/dbraw/zinc/36/81/04/563368104.db2.gz DYQTTZVKEBTBNG-UHFFFAOYSA-N -2 0 382.463 2.729 20 0 GFADRL Cc1noc(C)c1[N-]S(=O)(=O)c1ccc(OCCCC(=O)[O-])c(Cl)c1 ZINC000299566296 563386231 /nfs/dbraw/zinc/38/62/31/563386231.db2.gz GXKBBMCFGLRJPH-UHFFFAOYSA-N -2 0 388.829 2.989 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)cc1Br ZINC000315983229 563440777 /nfs/dbraw/zinc/44/07/77/563440777.db2.gz NYOXIZXXTSSEAA-UHFFFAOYSA-N -2 0 390.211 2.858 20 0 GFADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(F)cc2Br)c1O ZINC000317524574 563443139 /nfs/dbraw/zinc/44/31/39/563443139.db2.gz SRRLJNFPUZLHBD-UHFFFAOYSA-N -2 0 390.186 2.793 20 0 GFADRL CNC(=O)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)ccc1Cl ZINC000324979618 563453118 /nfs/dbraw/zinc/45/31/18/563453118.db2.gz RZOHBJMXBOTGCH-UHFFFAOYSA-N -2 0 388.854 2.569 20 0 GFADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(=O)NC(C)C)cc1 ZINC000327290593 563457177 /nfs/dbraw/zinc/45/71/77/563457177.db2.gz ISYWIXPGVCPDBO-UHFFFAOYSA-N -2 0 382.463 2.694 20 0 GFADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(Cl)c1-n1cncn1 ZINC000327449216 563458042 /nfs/dbraw/zinc/45/80/42/563458042.db2.gz SZUWCJWRTHULIX-UHFFFAOYSA-N -2 0 398.853 2.790 20 0 GFADRL CCc1ccc(S(=O)(=O)[N-]c2cnn(C)c2C(F)(F)F)cc1C(=O)[O-] ZINC000436167110 563666414 /nfs/dbraw/zinc/66/64/14/563666414.db2.gz UKQMVNTVRQVYRB-UHFFFAOYSA-N -2 0 377.344 2.500 20 0 GFADRL O=C([O-])Cc1cccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])c1 ZINC000436479285 563672143 /nfs/dbraw/zinc/67/21/43/563672143.db2.gz UUQSWKZHLAECCJ-UHFFFAOYSA-N -2 0 375.324 2.839 20 0 GFADRL Cc1c(Cl)cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)cc1C(=O)[O-] ZINC000436955220 563686887 /nfs/dbraw/zinc/68/68/87/563686887.db2.gz JOMTXYWTPBULGK-UHFFFAOYSA-N -3 0 385.781 2.551 20 0 GFADRL CC(=O)N1CCSc2ccc([N-]S(=O)(=O)c3csc(C(=O)[O-])c3)cc21 ZINC000363076474 563713396 /nfs/dbraw/zinc/71/33/96/563713396.db2.gz RDEKMBUMGZIKOH-UHFFFAOYSA-N -2 0 398.487 2.706 20 0 GFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)cc1OC ZINC000447789994 563886671 /nfs/dbraw/zinc/88/66/71/563886671.db2.gz XTASTNFGKDFAOG-UHFFFAOYSA-N -2 0 387.797 2.562 20 0 GFADRL COc1ccc(O)c(S(=O)(=O)[N-]c2ccc(S[C@H](C)C(=O)[O-])cc2)c1 ZINC000507606279 564234601 /nfs/dbraw/zinc/23/46/01/564234601.db2.gz YQPBWAWOTXFOIY-SNVBAGLBSA-N -2 0 383.447 2.767 20 0 GFADRL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2)c1 ZINC000541078138 564266036 /nfs/dbraw/zinc/26/60/36/564266036.db2.gz IMYDOPOUAKIUIQ-UHFFFAOYSA-N -2 0 376.312 2.608 20 0 GFADRL Cc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000475737900 564317383 /nfs/dbraw/zinc/31/73/83/564317383.db2.gz GATVPXAYXZXYAC-UHFFFAOYSA-N -2 0 387.772 2.985 20 0 GFADRL Cc1c([N-]S(=O)(=O)c2cc3c(cc2Cl)OCCO3)cccc1C(=O)[O-] ZINC000476781735 564353122 /nfs/dbraw/zinc/35/31/22/564353122.db2.gz XMAODTHQQZRSBT-UHFFFAOYSA-N -2 0 383.809 2.919 20 0 GFADRL Cc1noc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Br)c1C ZINC000477413495 564376024 /nfs/dbraw/zinc/37/60/24/564376024.db2.gz KACYDPOPGTXARC-UHFFFAOYSA-N -2 0 389.227 2.861 20 0 GFADRL COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(C)c1 ZINC000512753293 564410801 /nfs/dbraw/zinc/41/08/01/564410801.db2.gz XBACGYDGSCROJG-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL CC[C@@H](CCNS(=O)(=O)c1cc(Br)c(F)cc1F)C(=O)[O-] ZINC000568363373 564415437 /nfs/dbraw/zinc/41/54/37/564415437.db2.gz DCAPKTXGSITMJV-ZETCQYMHSA-N -2 0 386.214 2.507 20 0 GFADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccccc2C[S@@](C)=O)c1 ZINC000545827136 564433480 /nfs/dbraw/zinc/43/34/80/564433480.db2.gz FTPRVYUUUIXYHL-XMMPIXPASA-N -2 0 385.438 2.512 20 0 GFADRL CC(C)n1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Br)c2)n1 ZINC000479252488 564433948 /nfs/dbraw/zinc/43/39/48/564433948.db2.gz JNPGPXAERVWTAK-UHFFFAOYSA-N -2 0 388.243 2.726 20 0 GFADRL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000479471409 564441592 /nfs/dbraw/zinc/44/15/92/564441592.db2.gz VARZTPBAGYAQNO-UHFFFAOYSA-N -2 0 387.772 2.985 20 0 GFADRL COC(=O)[C@H](C)Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC000546072953 564442960 /nfs/dbraw/zinc/44/29/60/564442960.db2.gz BIKKMMYHQSNKDD-SNVBAGLBSA-N -2 0 383.447 2.599 20 0 GFADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2O)cc1 ZINC000481941163 564529169 /nfs/dbraw/zinc/52/91/69/564529169.db2.gz ALBOBAHKNFIGQW-UHFFFAOYSA-N -2 0 375.324 2.839 20 0 GFADRL C[C@@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000548221087 564538256 /nfs/dbraw/zinc/53/82/56/564538256.db2.gz OODATOVQJAGBTR-DGCLKSJQSA-N -2 0 398.225 2.649 20 0 GFADRL COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)[O-] ZINC000548526142 564555757 /nfs/dbraw/zinc/55/57/57/564555757.db2.gz ULVKSBRONHBWAA-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL CC(C)[C@@H](NS(=O)(=O)c1scnc1C(=O)[O-])c1ccc(F)cc1F ZINC000519827577 564592097 /nfs/dbraw/zinc/59/20/97/564592097.db2.gz QSDVDRURTBRXNN-LLVKDONJSA-N -2 0 376.406 2.795 20 0 GFADRL O=C([O-])[C@@H](CC(F)F)NS(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000551996417 564671853 /nfs/dbraw/zinc/67/18/53/564671853.db2.gz NRRSHUUTFRNVNQ-SSDOTTSWSA-N -2 0 381.706 2.746 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)nc2)cs1 ZINC000556274981 564817292 /nfs/dbraw/zinc/81/72/92/564817292.db2.gz CPAFDRIBNABBDS-UHFFFAOYSA-N -2 0 377.403 2.829 20 0 GFADRL O=C([O-])[C@@H](CCc1ccc(F)cc1)NS(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000560077251 564948691 /nfs/dbraw/zinc/94/86/91/564948691.db2.gz JNSPMZYCZOMQAS-OAHLLOKOSA-N -2 0 389.807 2.983 20 0 GFADRL COc1cc(S(=O)(=O)[N-]c2cc(O)cc(F)c2)c(Cl)cc1C(=O)[O-] ZINC000504281071 565037035 /nfs/dbraw/zinc/03/70/35/565037035.db2.gz WEDWROGNTMVLAI-UHFFFAOYSA-N -2 0 375.761 2.692 20 0 GFADRL COc1ccc(Br)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccoc1 ZINC000504537073 565041261 /nfs/dbraw/zinc/04/12/61/565041261.db2.gz YMTLEDDUXQKTPX-UHFFFAOYSA-N -2 0 376.184 2.550 20 0 GFADRL COc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2ccsc2)cc1OC(F)F ZINC000504600444 565041984 /nfs/dbraw/zinc/04/19/84/565041984.db2.gz AKJYGBZRVXHLSC-UHFFFAOYSA-N -2 0 379.362 2.857 20 0 GFADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1OCC(F)F ZINC000536906802 565049699 /nfs/dbraw/zinc/04/96/99/565049699.db2.gz XSFKQVAXCNBPII-UHFFFAOYSA-N -2 0 379.312 2.870 20 0 GFADRL CCOc1ccc(Br)cc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000590264624 565182411 /nfs/dbraw/zinc/18/24/11/565182411.db2.gz IJKACHDTKIVTLM-UHFFFAOYSA-N -2 0 389.227 2.675 20 0 GFADRL C[C@H]([N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653493000 565969347 /nfs/dbraw/zinc/96/93/47/565969347.db2.gz GSRJTKADOCSYBA-BIIVOSGPSA-N -2 0 383.363 2.657 20 0 GFADRL Cc1sc(C(N)=O)cc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C ZINC000677848968 565985523 /nfs/dbraw/zinc/98/55/23/565985523.db2.gz KRHJAUZDXDFCFI-UHFFFAOYSA-N -2 0 388.854 2.616 20 0 GFADRL COc1ccc(O)c(S(=O)(=O)[N-]c2cnc(C(F)(F)F)cc2OC)c1 ZINC000682875151 566174347 /nfs/dbraw/zinc/17/43/47/566174347.db2.gz GFEVUYJNCPLXNI-UHFFFAOYSA-N -2 0 378.328 2.624 20 0 GFADRL Cc1cccc(Oc2ccc(S(=O)(=O)[N-]c3ccn(CC(=O)[O-])n3)cc2)c1 ZINC000738738137 599739272 /nfs/dbraw/zinc/73/92/72/599739272.db2.gz SROIHRRVWDPAKZ-UHFFFAOYSA-N -2 0 387.417 2.869 20 0 GFADRL C[C@H](Sc1ccccc1C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1)C(=O)[O-] ZINC000736715720 599753064 /nfs/dbraw/zinc/75/30/64/599753064.db2.gz GETGUVAGCFRWRM-JTQLQIEISA-N -2 0 385.401 2.847 20 0 GFADRL Cc1ccc(NS(=O)(=O)c2ccc(C)c(OCC(=O)[O-])c2C)c(C(=O)[O-])c1 ZINC000110279606 599768146 /nfs/dbraw/zinc/76/81/46/599768146.db2.gz LVLLIPQUNCTFCW-UHFFFAOYSA-N -2 0 393.417 2.574 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2cccc3c2CCCC3)c(C(=O)[O-])s1 ZINC000737680555 599813638 /nfs/dbraw/zinc/81/36/38/599813638.db2.gz KXDFDADXZDTOKE-UHFFFAOYSA-N -2 0 395.458 2.913 20 0 GFADRL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(Cl)c1 ZINC000737716681 599814492 /nfs/dbraw/zinc/81/44/92/599814492.db2.gz DPIPVCOYJUBIBG-UHFFFAOYSA-N -2 0 393.801 2.826 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C(F)F)c2)c(C(=O)[O-])s1 ZINC000737679546 599815540 /nfs/dbraw/zinc/81/55/40/599815540.db2.gz AQMZEMGYRMOGCY-UHFFFAOYSA-N -2 0 391.373 2.971 20 0 GFADRL O=C([O-])c1ccc(NC(=O)c2ccc(C(=O)[O-])nc2)c(OCC(F)(F)F)c1 ZINC000740156216 599842515 /nfs/dbraw/zinc/84/25/15/599842515.db2.gz JWLXPEJNZXVMIN-UHFFFAOYSA-N -2 0 384.266 2.671 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2cccc([C@H](C)OC)c2)c(C(=O)[O-])s1 ZINC000737679630 599981586 /nfs/dbraw/zinc/98/15/86/599981586.db2.gz BQGMTDTWKCGNKQ-VIFPVBQESA-N -2 0 399.446 2.741 20 0 GFADRL O=C([O-])CC[C@@H](NC(=O)CC1(C(=O)[O-])Cc2ccccc2C1)c1ccccc1 ZINC000739658241 599981729 /nfs/dbraw/zinc/98/17/29/599981729.db2.gz BFADUGPGGYWKLT-GOSISDBHSA-N -2 0 381.428 2.969 20 0 GFADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc([C@H](C)OC)c1 ZINC000737688249 599981734 /nfs/dbraw/zinc/98/17/34/599981734.db2.gz KUOIPXCEGAPNRX-NSHDSACASA-N -2 0 393.417 2.680 20 0 GFADRL CC[C@H](C)N1C(=O)N[C@@H](c2cccc(O[C@H](C)C(=O)[O-])c2)C(C(=O)[O-])=C1C ZINC000736885037 599984690 /nfs/dbraw/zinc/98/46/90/599984690.db2.gz WBLMAKHOZMTCJP-IETSOEAISA-N -2 0 376.409 2.762 20 0 GFADRL CC1=C(C(=O)[O-])[C@H](c2ccc(O)c(Cl)c2)NC(=O)N1CCCCC(=O)[O-] ZINC000736752847 599988952 /nfs/dbraw/zinc/98/89/52/599988952.db2.gz YRMWRUQETDTBGP-HNNXBMFYSA-N -2 0 382.800 2.725 20 0 GFADRL O=C([O-])c1cc(C(F)(F)F)cc(S(=O)(=O)[N-]C(=O)/C=C\c2ccccc2)c1 ZINC000739217191 600045050 /nfs/dbraw/zinc/04/50/50/600045050.db2.gz WYQXAUIPJZYRJA-SREVYHEPSA-N -2 0 399.346 2.922 20 0 GFADRL Cc1ccsc1Cn1nccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000738798347 600054720 /nfs/dbraw/zinc/05/47/20/600054720.db2.gz ICFGLPIYUMVGND-UHFFFAOYSA-N -2 0 383.476 2.862 20 0 GFADRL O=C([O-])c1cccc(Cc2cnc([N-]S(=O)(=O)c3cncc(F)c3)s2)c1 ZINC000740228888 600056311 /nfs/dbraw/zinc/05/63/11/600056311.db2.gz SHKFLVSTMSJFEU-UHFFFAOYSA-N -2 0 393.421 2.767 20 0 GFADRL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccc(OCC(F)(F)F)nc1 ZINC000740146817 600096784 /nfs/dbraw/zinc/09/67/84/600096784.db2.gz VXJSTPWLYCPHOK-UHFFFAOYSA-N -2 0 394.302 2.661 20 0 GFADRL CC(C)n1cc([N-]S(=O)(=O)c2ccc(Br)c(C(=O)[O-])c2)cn1 ZINC000315012813 600098905 /nfs/dbraw/zinc/09/89/05/600098905.db2.gz KIFUCTMQBJDOKV-UHFFFAOYSA-N -2 0 388.243 2.726 20 0 GFADRL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Br)n1 ZINC000738736030 600179337 /nfs/dbraw/zinc/17/93/37/600179337.db2.gz IBGRENIZUBLBSQ-UHFFFAOYSA-N -2 0 389.202 2.791 20 0 GFADRL COc1cc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cc1OC ZINC000737868137 600230610 /nfs/dbraw/zinc/23/06/10/600230610.db2.gz MPXUHSYMGHBAJP-UHFFFAOYSA-N -2 0 387.360 2.789 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(-c3ncon3)cc2)c(F)cc1F ZINC000740090518 600235887 /nfs/dbraw/zinc/23/58/87/600235887.db2.gz WQRCVKXJDMBUEP-UHFFFAOYSA-N -2 0 381.316 2.514 20 0 GFADRL CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2OC(F)F)cc1 ZINC000736190808 600236862 /nfs/dbraw/zinc/23/68/62/600236862.db2.gz DOZMFJANQYVJPZ-UHFFFAOYSA-N -2 0 385.344 2.990 20 0 GFADRL Cc1noc2ncc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])cc3OC(F)F)cc12 ZINC000738955028 600237328 /nfs/dbraw/zinc/23/73/28/600237328.db2.gz HGTDECZHOXUOFQ-UHFFFAOYSA-N -2 0 399.331 2.632 20 0 GFADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(N2CCCCC2)cn1 ZINC000738277231 600247480 /nfs/dbraw/zinc/24/74/80/600247480.db2.gz RVGAFGYYBSDNQT-UHFFFAOYSA-N -2 0 375.450 2.879 20 0 GFADRL Cc1[nH]c(C([O-])=CS(=O)(=O)[C@@H](C)c2ccc(F)c(F)c2)c(C)c1C(=O)[O-] ZINC000738156938 600272011 /nfs/dbraw/zinc/27/20/11/600272011.db2.gz YNDVRAZCZVBVAB-JTQLQIEISA-N -2 0 385.388 2.967 20 0 GFADRL CC(C)(C)/C=C\C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000736249905 600272648 /nfs/dbraw/zinc/27/26/48/600272648.db2.gz BUVNYTKQISBRSE-PLNGDYQASA-N -2 0 379.356 2.811 20 0 GFADRL CN(Cc1ccc([N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)cc1)C(=O)[O-] ZINC000737485836 600300042 /nfs/dbraw/zinc/30/00/42/600300042.db2.gz HVDSPKLJWRJLHC-UHFFFAOYSA-N -2 0 386.433 2.783 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])c(F)cc1F ZINC000740089927 600395332 /nfs/dbraw/zinc/39/53/32/600395332.db2.gz OASUOOSCZOZTEX-UHFFFAOYSA-N -3 0 391.735 2.815 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCCCCC(=O)[O-])cc1 ZINC000738654862 600413482 /nfs/dbraw/zinc/41/34/82/600413482.db2.gz KFAMZAGWCOMPJJ-UHFFFAOYSA-N -2 0 390.461 2.781 20 0 GFADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000739452044 600422092 /nfs/dbraw/zinc/42/20/92/600422092.db2.gz QFAXOPVNJCENOV-UHFFFAOYSA-N -2 0 376.415 2.560 20 0 GFADRL Cn1ccnc1-c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1 ZINC000739041934 600424674 /nfs/dbraw/zinc/42/46/74/600424674.db2.gz FIOZMEHTQKQFSG-UHFFFAOYSA-N -2 0 393.371 2.864 20 0 GFADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)[N-]c2nc3ccsc3s2)c1 ZINC000737680311 600472982 /nfs/dbraw/zinc/47/29/82/600472982.db2.gz DKJWTZADNKLIER-UHFFFAOYSA-N -2 0 398.443 2.643 20 0 GFADRL C[S@](=O)Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC000734415738 600613654 /nfs/dbraw/zinc/61/36/54/600613654.db2.gz GLLXMIOYAMAUQA-QHCPKHFHSA-N -2 0 387.866 2.718 20 0 GFADRL COC(=O)c1cc(Cl)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1 ZINC000737654242 600637860 /nfs/dbraw/zinc/63/78/60/600637860.db2.gz PLTFCVRCBDHUOO-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL C[C@H]1CCCCN1C(=O)c1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1 ZINC000299538938 600676606 /nfs/dbraw/zinc/67/66/06/600676606.db2.gz APJOLEZICLPIGS-LBPRGKRZSA-N -2 0 391.449 2.528 20 0 GFADRL COCc1cccc([C@H]2NC(=O)N(CCCCC(=O)[O-])C(C)=C2C(=O)[O-])c1 ZINC000831817117 600783967 /nfs/dbraw/zinc/78/39/67/600783967.db2.gz BOASMJWPUWMFJQ-QGZVFWFLSA-N -2 0 376.409 2.513 20 0 GFADRL Cc1ccc2c(CCC(=O)[N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)c[nH]c2c1 ZINC000832959043 600802097 /nfs/dbraw/zinc/80/20/97/600802097.db2.gz BAEXUNPORREZMJ-UHFFFAOYSA-N -2 0 386.429 2.612 20 0 GFADRL Cc1nc(-c2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])n(C)c3)cc2)oc1C ZINC000832990832 600814207 /nfs/dbraw/zinc/81/42/07/600814207.db2.gz DDMPPPKRFKTFKX-UHFFFAOYSA-N -2 0 375.406 2.796 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2-n2cncn2)ccc1C(=O)[O-] ZINC000506569711 600886859 /nfs/dbraw/zinc/88/68/59/600886859.db2.gz DGSXFUVHHWBINF-UHFFFAOYSA-N -2 0 392.824 2.728 20 0 GFADRL COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]c1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000266491684 600898906 /nfs/dbraw/zinc/89/89/06/600898906.db2.gz VPAMZCMKRLWFOS-UHFFFAOYSA-N -2 0 395.433 2.846 20 0 GFADRL Cn1c(C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])ccc1-c1ccccc1 ZINC000833038527 600938249 /nfs/dbraw/zinc/93/82/49/600938249.db2.gz IIIWSKQZQSNZIY-UHFFFAOYSA-N -2 0 390.442 2.571 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@]23CCCc2ccccc23)s1 ZINC000833324293 600941528 /nfs/dbraw/zinc/94/15/28/600941528.db2.gz BMRVTSIJJNDFSY-UGSOOPFHSA-N -2 0 391.470 2.545 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCSc3ccccc32)s1 ZINC000833324819 600941556 /nfs/dbraw/zinc/94/15/56/600941556.db2.gz LZTJRUBRPXUABM-SNVBAGLBSA-N -2 0 383.472 2.531 20 0 GFADRL Cc1ccc(N(C)C(C)C)c(C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000832935548 600943831 /nfs/dbraw/zinc/94/38/31/600943831.db2.gz NTQWGXJJWKIVNH-UHFFFAOYSA-N -2 0 390.461 2.657 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)n(-c2ccc(F)cc2)n1 ZINC000832899238 600974869 /nfs/dbraw/zinc/97/48/69/600974869.db2.gz GLBLDCYNJBVOMB-UHFFFAOYSA-N -2 0 381.410 2.880 20 0 GFADRL Cc1nc([N-]S(=O)(=O)c2ccc(Br)c(F)c2)sc1C(=O)[O-] ZINC000833003114 600977244 /nfs/dbraw/zinc/97/72/44/600977244.db2.gz NGQCRFUKVFMKQX-UHFFFAOYSA-N -2 0 395.231 2.852 20 0 GFADRL Cc1nc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)sc1Cc1ccccc1 ZINC000833003146 600977633 /nfs/dbraw/zinc/97/76/33/600977633.db2.gz OETFRWDWWFNARG-UHFFFAOYSA-N -2 0 377.447 2.869 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cccc(-c2nccn2C)c1 ZINC000831945075 601200730 /nfs/dbraw/zinc/20/07/30/601200730.db2.gz FNHDLVDCRIGZAN-UHFFFAOYSA-N -2 0 393.446 2.656 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1nc2ccsc2s1 ZINC000831950948 601200960 /nfs/dbraw/zinc/20/09/60/601200960.db2.gz ZFDXUKUAPBOPAI-UHFFFAOYSA-N -2 0 376.462 2.927 20 0 GFADRL Cc1oc(S(=O)(=O)N[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)cc1C(=O)[O-] ZINC000580548309 601217577 /nfs/dbraw/zinc/21/75/77/601217577.db2.gz NPDIZHMEKBHQGX-HOCLYGCPSA-N -2 0 383.397 2.624 20 0 GFADRL COC(=O)C(C)(C)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)cc1 ZINC000831053758 601233610 /nfs/dbraw/zinc/23/36/10/601233610.db2.gz UOZXHZAFBAWYJI-UHFFFAOYSA-N -2 0 381.406 2.538 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2ccc(O[C@H]3CCCC[C@@H]3O)cc2)cc1C(=O)[O-] ZINC000833029153 601234022 /nfs/dbraw/zinc/23/40/22/601234022.db2.gz DANQNWWHWFYKSP-HOTGVXAUSA-N -2 0 395.433 2.769 20 0 GFADRL Cn1cc(S(=O)(=O)[N-]c2ccc3[nH]c(-c4ccco4)nc3c2)cc1C(=O)[O-] ZINC000433520160 601249828 /nfs/dbraw/zinc/24/98/28/601249828.db2.gz YACNJHLPMXOOPA-UHFFFAOYSA-N -2 0 386.389 2.660 20 0 GFADRL Cc1nc(-c2ccccc2[N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)no1 ZINC000832992215 601324047 /nfs/dbraw/zinc/32/40/47/601324047.db2.gz BYHIVGWQRBMIQM-DHZHZOJOSA-N -2 0 385.401 2.944 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)n(-c2ccccc2F)n1 ZINC000832899031 601329267 /nfs/dbraw/zinc/32/92/67/601329267.db2.gz BCDUGKBCMCMPRF-UHFFFAOYSA-N -2 0 393.371 2.958 20 0 GFADRL Cc1c[nH]c(=O)n1-c1ccccc1[N-]S(=O)(=O)c1ccc(C=CC(=O)[O-])cc1 ZINC000832856699 601329342 /nfs/dbraw/zinc/32/93/42/601329342.db2.gz ZHCNYQQABZFOSO-FLIBITNWSA-N -2 0 399.428 2.785 20 0 GFADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])s1 ZINC000833267580 601332013 /nfs/dbraw/zinc/33/20/13/601332013.db2.gz CQZREDWMBDYPSO-UHFFFAOYSA-N -3 0 375.811 2.528 20 0 GFADRL CN(C)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)cn1 ZINC000324894921 601359921 /nfs/dbraw/zinc/35/99/21/601359921.db2.gz OUVHSCXDUSQNOR-UHFFFAOYSA-N -2 0 390.248 2.953 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N(C)C)c(Cl)c1 ZINC000327052845 601360076 /nfs/dbraw/zinc/36/00/76/601360076.db2.gz XYIFXMWXNLDYJM-UHFFFAOYSA-N -2 0 384.841 2.914 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccnc1N1CCCCC1 ZINC000832208522 601360525 /nfs/dbraw/zinc/36/05/25/601360525.db2.gz BIPNJBCLLGSJKJ-UHFFFAOYSA-N -2 0 391.449 2.580 20 0 GFADRL O=C([O-])c1nc(Cl)ccc1S(=O)(=O)[N-]c1cnn(-c2ccccc2F)c1 ZINC000833345150 601492711 /nfs/dbraw/zinc/49/27/11/601492711.db2.gz RHIHSMRUVZEOCI-UHFFFAOYSA-N -2 0 396.787 2.559 20 0 GFADRL CC(C)Cc1nnc([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])s1 ZINC000826913287 601502038 /nfs/dbraw/zinc/50/20/38/601502038.db2.gz SKQNMRHOXQOKDB-UHFFFAOYSA-N -2 0 375.859 2.889 20 0 GFADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000443364783 601575660 /nfs/dbraw/zinc/57/56/60/601575660.db2.gz BCTFZBIBIBVLPK-UHFFFAOYSA-N -3 0 393.417 2.981 20 0 GFADRL C[C@H](CS(=O)(=O)Nc1ccc(Oc2ccccc2)cc1C(=O)[O-])C(=O)[O-] ZINC000827571882 601615067 /nfs/dbraw/zinc/61/50/67/601615067.db2.gz VDBRAPATOQGNLU-LLVKDONJSA-N -2 0 379.390 2.640 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCC(C)(C)C(=O)[O-])cc1 ZINC000832956650 601707858 /nfs/dbraw/zinc/70/78/58/601707858.db2.gz NNZKZHOMVOXUCF-UHFFFAOYSA-N -2 0 390.461 2.636 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2csnc2C(=O)[O-])n(-c2cccc(Cl)c2)n1 ZINC000832899708 601767284 /nfs/dbraw/zinc/76/72/84/601767284.db2.gz RAOGRQJNIMLBLW-UHFFFAOYSA-N -2 0 398.853 2.790 20 0 GFADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1nc2c(cc(F)c(F)c2F)s1 ZINC000833346475 601767839 /nfs/dbraw/zinc/76/78/39/601767839.db2.gz QAPZVFVCSRBBOB-UHFFFAOYSA-N -2 0 395.365 2.669 20 0 GFADRL COCCOc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000831784129 601829648 /nfs/dbraw/zinc/82/96/48/601829648.db2.gz TZYFJMYIAINWKE-UHFFFAOYSA-N -2 0 385.825 2.864 20 0 GFADRL CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])cc1OC ZINC000830085102 601832420 /nfs/dbraw/zinc/83/24/20/601832420.db2.gz NKNDVJNPSDWCFE-UHFFFAOYSA-N -2 0 386.813 2.641 20 0 GFADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1cccnc1Oc1ccccc1 ZINC000833346008 601836313 /nfs/dbraw/zinc/83/63/13/601836313.db2.gz JNCDNOBVRFHGQJ-UHFFFAOYSA-N -2 0 377.403 2.829 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])c(Cl)cc1F ZINC000057819632 601837262 /nfs/dbraw/zinc/83/72/62/601837262.db2.gz GBMDJQABISHBQM-UHFFFAOYSA-N -3 0 391.735 2.815 20 0 GFADRL Cc1cc(CCCC(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c(C)s1 ZINC000832881844 601843315 /nfs/dbraw/zinc/84/33/15/601843315.db2.gz PPBQVVONACDPLM-UHFFFAOYSA-N -2 0 381.475 2.891 20 0 GFADRL CC(C)c1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Br)n[nH]1 ZINC000317838322 601850526 /nfs/dbraw/zinc/85/05/26/601850526.db2.gz KJMJKBLPBHZTQN-UHFFFAOYSA-N -2 0 388.243 2.795 20 0 GFADRL C[C@H](c1ccccc1)n1ccc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)n1 ZINC000827951271 601855632 /nfs/dbraw/zinc/85/56/32/601855632.db2.gz WRFOXOZOSFMIAZ-GFCCVEGCSA-N -2 0 387.417 2.697 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C2CCCCC2)nn1C ZINC000832204269 601964541 /nfs/dbraw/zinc/96/45/41/601964541.db2.gz VWICMPUDXVTTOB-UHFFFAOYSA-N -2 0 393.465 2.975 20 0 GFADRL O=C([O-])c1csc(S(=O)(=O)[N-][C@H](Cc2ccccc2)C(F)(F)F)c1 ZINC000833343584 602213394 /nfs/dbraw/zinc/21/33/94/602213394.db2.gz ITMBQZARCJCGRO-LLVKDONJSA-N -2 0 379.381 2.898 20 0 GFADRL CCCC1(C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000829231177 602254195 /nfs/dbraw/zinc/25/41/95/602254195.db2.gz SLARKXLHFFRPFF-UHFFFAOYSA-N -2 0 379.356 2.789 20 0 GFADRL Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000832902381 602299652 /nfs/dbraw/zinc/29/96/52/602299652.db2.gz SLFHVFWHFHMNGD-UHFFFAOYSA-N -2 0 385.351 2.741 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]C(=O)CCc2ccc(C(=O)[O-])cc2)c(Cl)cc1F ZINC000832902729 602348632 /nfs/dbraw/zinc/34/86/32/602348632.db2.gz GKXDTWDQYLYDNL-UHFFFAOYSA-N -2 0 399.827 2.923 20 0 GFADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc2c(c1)CN(C(=O)[O-])CC2 ZINC000740107861 602490828 /nfs/dbraw/zinc/49/08/28/602490828.db2.gz RCAXZGKOJUZHPZ-UHFFFAOYSA-N -2 0 390.417 2.530 20 0 GFADRL O=C([O-])Nc1cc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)s2)ccc1F ZINC000740699206 602566158 /nfs/dbraw/zinc/56/61/58/602566158.db2.gz RWXJLHYOIPDZQT-UHFFFAOYSA-N -2 0 378.790 2.749 20 0 GFADRL COc1ccc(NC(=O)[O-])c([N-]S(=O)(=O)c2c(F)cc(OC)cc2F)c1 ZINC000739867076 602652274 /nfs/dbraw/zinc/65/22/74/602652274.db2.gz NZSPIGKFMMYRQK-UHFFFAOYSA-N -2 0 388.348 2.873 20 0 GFADRL O=C([O-])NCCOc1cccc([N-]S(=O)(=O)c2cccc3cccnc32)c1 ZINC000740668133 603186292 /nfs/dbraw/zinc/18/62/92/603186292.db2.gz OBRHNOJSMHXXSN-UHFFFAOYSA-N -2 0 387.417 2.682 20 0 GFADRL CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])nc2)cc1Cl ZINC000823610878 603767261 /nfs/dbraw/zinc/76/72/61/603767261.db2.gz INZCATZTLYWYJL-UHFFFAOYSA-N -2 0 384.801 2.584 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2nc3c(s2)CN(C(=O)[O-])CC3)c(F)cc1F ZINC000830137709 603877663 /nfs/dbraw/zinc/87/76/63/603877663.db2.gz FZUGQINTGOFSBG-UHFFFAOYSA-N -2 0 389.405 2.567 20 0 GFADRL C[C@H](C(=O)[N-]S(=O)(=O)/C=C/c1ccccc1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823701732 604209927 /nfs/dbraw/zinc/20/99/27/604209927.db2.gz GKDNDXVDFRISJW-ILKPWURSSA-N -2 0 388.445 2.748 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(C(F)(F)F)c2)cc1 ZINC000431196915 604398729 /nfs/dbraw/zinc/39/87/29/604398729.db2.gz NDWSFVSJAAOGIW-UHFFFAOYSA-N -2 0 389.307 2.903 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2nnc(SCc3ccccc3)s2)c[nH]1 ZINC000833306464 604403524 /nfs/dbraw/zinc/40/35/24/604403524.db2.gz WBBHJJZFZPJWDY-UHFFFAOYSA-N -2 0 396.475 2.658 20 0 GFADRL CC(C)(C)O[C@H](C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)c1ccccc1 ZINC000833445575 604495598 /nfs/dbraw/zinc/49/55/98/604495598.db2.gz CMROKSYFOHRJKD-AWEZNQCLSA-N -2 0 397.474 2.808 20 0 GFADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(-c2ccccc2C)nn1C ZINC000833753211 604501184 /nfs/dbraw/zinc/50/11/84/604501184.db2.gz OFKWVIBHURVJOP-UHFFFAOYSA-N -2 0 375.406 2.796 20 0 GFADRL Cc1cc(Br)cnc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000317127060 604620664 /nfs/dbraw/zinc/62/06/64/604620664.db2.gz MXKIIFNGOVCNOZ-UHFFFAOYSA-N -2 0 389.202 2.791 20 0 GFADRL CC(C)(C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1C(=O)[O-] ZINC000833430912 604744586 /nfs/dbraw/zinc/74/45/86/604744586.db2.gz KLZRYUXPPWQHBL-UHFFFAOYSA-N -2 0 394.424 2.853 20 0 GFADRL CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)c1C ZINC000829869853 604767610 /nfs/dbraw/zinc/76/76/10/604767610.db2.gz PLKSHUMSVHVZBY-UHFFFAOYSA-N -2 0 394.449 2.626 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c(C(=O)[O-])c1 ZINC000758162801 604798078 /nfs/dbraw/zinc/79/80/78/604798078.db2.gz FUDPVNXZFBIVTH-UHFFFAOYSA-N -2 0 397.277 2.890 20 0 GFADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000832919085 604809035 /nfs/dbraw/zinc/80/90/35/604809035.db2.gz WMLNIXXMUHIQRS-UHFFFAOYSA-N -2 0 399.808 2.611 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2cc(C)n(-c3ccccc3)n2)cc1C(=O)[O-] ZINC000536656191 604860563 /nfs/dbraw/zinc/86/05/63/604860563.db2.gz OJGNXIQCOUBPHR-UHFFFAOYSA-N -2 0 387.417 2.688 20 0 GFADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1F ZINC000833148194 604879780 /nfs/dbraw/zinc/87/97/80/604879780.db2.gz CUBYIDQUGKJREC-UHFFFAOYSA-N -2 0 391.298 2.661 20 0 GFADRL CN(C(=O)c1cc(Cl)cc(Br)c1[O-])[C@@H]1CCN(C(=O)[O-])C1 ZINC000827926785 604923695 /nfs/dbraw/zinc/92/36/95/604923695.db2.gz IJHCNKGJRWAISP-MRVPVSSYSA-N -2 0 377.622 2.632 20 0 GFADRL COc1ccc2nc([N-]S(=O)(=O)Cc3cccc(C(=O)[O-])c3)sc2c1 ZINC000326701660 605010832 /nfs/dbraw/zinc/01/08/32/605010832.db2.gz ADGKDUQPWPZGKR-UHFFFAOYSA-N -2 0 378.431 2.945 20 0 GFADRL CC(=O)N1CCCc2ccc(S(=O)(=O)[N-]c3sccc3C(=O)[O-])cc21 ZINC000833394127 605022288 /nfs/dbraw/zinc/02/22/88/605022288.db2.gz SAFXVIQJPNQJDY-UHFFFAOYSA-N -2 0 380.447 2.546 20 0 GFADRL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000833741481 605127264 /nfs/dbraw/zinc/12/72/64/605127264.db2.gz OQJBAOZCMJGJBA-UHFFFAOYSA-N -3 0 375.811 2.907 20 0 GFADRL Cc1cc(NS(=O)(=O)c2cccc3c2ccnc3C(=O)[O-])ccc1C(=O)[O-] ZINC000833746979 605151928 /nfs/dbraw/zinc/15/19/28/605151928.db2.gz MXCCRXKHJSWJNQ-UHFFFAOYSA-N -2 0 386.385 2.740 20 0 GFADRL COc1cc(F)c(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])c(F)c2)cc1OC ZINC000833729162 605264889 /nfs/dbraw/zinc/26/48/89/605264889.db2.gz OQBYXTYUVZUOOJ-UHFFFAOYSA-N -2 0 388.348 2.873 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2nc3c(s2)CN(C(C)C)CC3)cc1C(=O)[O-] ZINC000833751003 605344603 /nfs/dbraw/zinc/34/46/03/605344603.db2.gz LTAKXWVYEVMAPA-UHFFFAOYSA-N -2 0 395.506 2.717 20 0 GFADRL O=C([O-])[C@@H]1CCCN1C(=O)c1cc(Br)c([O-])c(Br)c1 ZINC000263573810 605747442 /nfs/dbraw/zinc/74/74/42/605747442.db2.gz MWTSOLJDRNVLLY-VIFPVBQESA-N -2 0 393.031 2.606 20 0 GFADRL O=C([O-])N[C@H](CCC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])c1ccccc1 ZINC000834137383 606049004 /nfs/dbraw/zinc/04/90/04/606049004.db2.gz LUPXEMFRVKKALY-MSOLQXFVSA-N -2 0 382.416 2.814 20 0 GFADRL O=C([O-])C[C@H](NC(=O)c1ccc(CNC(=O)[O-])cc1)c1ccc(F)cc1F ZINC000834061425 606068043 /nfs/dbraw/zinc/06/80/43/606068043.db2.gz UFXPCZLCYFYTHX-HNNXBMFYSA-N -2 0 378.331 2.678 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2cnc3c(c2)C[C@@H](NC(=O)[O-])CC3)sc1C ZINC000833901146 606078646 /nfs/dbraw/zinc/07/86/46/606078646.db2.gz KUEKQLUCXFZXRV-LBPRGKRZSA-N -2 0 381.479 2.686 20 0 GFADRL O=C([O-])Nc1ccc(C(=O)NCCOc2ccc(C(=O)[O-])cc2)c(Cl)c1 ZINC000834258158 606113035 /nfs/dbraw/zinc/11/30/35/606113035.db2.gz UVVGTJYTHUUSOJ-UHFFFAOYSA-N -2 0 378.768 2.937 20 0 GFADRL CSCc1cc(C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)ccc1F ZINC000832766779 660799295 /nfs/dbraw/zinc/79/92/95/660799295.db2.gz NEZHXPSMPPEWMQ-UHFFFAOYSA-N -2 0 383.422 2.506 20 0 GFADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnc(Br)cc1C ZINC000832859048 660803433 /nfs/dbraw/zinc/80/34/33/660803433.db2.gz VAUZVVTYJGFSIV-UHFFFAOYSA-N -2 0 385.239 2.960 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)NC(C)C)cc2)sc1C(=O)[O-] ZINC000048382801 654705861 /nfs/dbraw/zinc/70/58/61/654705861.db2.gz HTZOMKYRSQTUTQ-UHFFFAOYSA-N -2 0 382.463 2.694 20 0 GFADRL COCCOc1c(Cl)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000066306359 654900458 /nfs/dbraw/zinc/90/04/58/654900458.db2.gz WVJDKHCXNRJLMU-UHFFFAOYSA-N -2 0 391.854 2.926 20 0 GFADRL O=C([O-])c1ccc(Br)c(S(=O)(=O)[N-]c2ccc3c(c2)COC3)c1 ZINC000324270624 655383999 /nfs/dbraw/zinc/38/39/99/655383999.db2.gz LCBJSHZPAQMHSN-UHFFFAOYSA-N -2 0 398.234 2.978 20 0 GFADRL COc1cc(S(=O)(=O)[N-]c2cnc(Cl)c(C)c2)cc(C(=O)[O-])c1OC ZINC000327870527 655386535 /nfs/dbraw/zinc/38/65/35/655386535.db2.gz QSESNMWUNJPTJW-UHFFFAOYSA-N -2 0 386.813 2.560 20 0 GFADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000189917773 655389212 /nfs/dbraw/zinc/38/92/12/655389212.db2.gz QWGDBQAPIOIWRU-VIFPVBQESA-N -2 0 383.710 2.595 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2OCC(F)F)c[nH]1 ZINC000578854388 655487851 /nfs/dbraw/zinc/48/78/51/655487851.db2.gz GIZPMBCMELAVOG-UHFFFAOYSA-N -2 0 380.756 2.811 20 0 GFADRL Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000746696704 655766736 /nfs/dbraw/zinc/76/67/36/655766736.db2.gz VDYOACIPXWEAPB-UHFFFAOYSA-N -2 0 378.237 2.843 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(O)c2)c1Cl ZINC000753778153 655858515 /nfs/dbraw/zinc/85/85/15/655858515.db2.gz CBBQHVOMFWOYKW-UHFFFAOYSA-N -3 0 385.781 2.551 20 0 GFADRL CCCn1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)cn1 ZINC000754754833 655872573 /nfs/dbraw/zinc/87/25/73/655872573.db2.gz NTLWYMLBGIZBSM-UHFFFAOYSA-N -2 0 377.344 2.811 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(Cl)c2)cnc1Cl ZINC000759680646 655961150 /nfs/dbraw/zinc/96/11/50/655961150.db2.gz PTESNOWSPZVCLX-UHFFFAOYSA-N -2 0 391.232 2.961 20 0 GFADRL COC(=O)c1csc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1C ZINC000776281580 656725871 /nfs/dbraw/zinc/72/58/71/656725871.db2.gz CWGBZHYQGDHEGR-UHFFFAOYSA-N -2 0 389.838 2.996 20 0 GFADRL Cc1ccc([N-]S(=O)(=O)c2cnc(Cl)n2C)c(SCCC(=O)[O-])c1 ZINC000776445838 656742736 /nfs/dbraw/zinc/74/27/36/656742736.db2.gz VMBKTRGUURBPMJ-UHFFFAOYSA-N -2 0 389.886 2.750 20 0 GFADRL CCC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)[O-] ZINC000776583295 656763140 /nfs/dbraw/zinc/76/31/40/656763140.db2.gz FOIKIQHXGSWKDQ-RQJHMYQMSA-N -2 0 389.342 2.940 20 0 GFADRL CS(=O)(=O)[N-]c1cc(F)ccc1[N-]S(=O)(=O)c1cccc(C(F)F)c1 ZINC000780398265 657003969 /nfs/dbraw/zinc/00/39/69/657003969.db2.gz VITMFAJFTRBATM-UHFFFAOYSA-N -2 0 394.396 2.936 20 0 GFADRL O=C([N-]N1CCCC1=O)c1nn(-c2c(Cl)cc(Cl)cc2Cl)cc1[O-] ZINC000780702778 657024366 /nfs/dbraw/zinc/02/43/66/657024366.db2.gz NYEDICZJXIAGCF-UHFFFAOYSA-N -2 0 389.626 2.805 20 0 GFADRL O=S(=O)(C[C@H]1CCCOC1)[N-]c1cc(Cl)cc(Br)c1[O-] ZINC000795332656 658807172 /nfs/dbraw/zinc/80/71/72/658807172.db2.gz MWXVKPAZSVAPLE-QMMMGPOBSA-N -2 0 384.679 2.976 20 0 GFADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2ccc(C)nc2Cl)c1OC ZINC000800837703 659335808 /nfs/dbraw/zinc/33/58/08/659335808.db2.gz UYTNIPRFYDGICJ-UHFFFAOYSA-N -2 0 386.813 2.560 20 0 GFADRL O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1ccc(F)c(Cl)c1 ZINC000852733738 661872647 /nfs/dbraw/zinc/87/26/47/661872647.db2.gz XRXNJZGSPAHKJL-VXGBXAGGSA-N -2 0 382.741 2.575 20 0 GFADRL CC(=O)c1cc(S(=O)(=O)[N-]C(=O)CCCCC(=O)[O-])c(Cl)cc1Cl ZINC000863961160 662351152 /nfs/dbraw/zinc/35/11/52/662351152.db2.gz JLMPDVYJMPLOQC-UHFFFAOYSA-N -2 0 396.248 2.646 20 0 GFADRL C[C@@H](CCC[N-]S(=O)(=O)c1oc2ccccc2c1Br)C(=O)[O-] ZINC000864431488 662370665 /nfs/dbraw/zinc/37/06/65/662370665.db2.gz RSTGUZXHRGOSCT-VIFPVBQESA-N -2 0 390.255 2.975 20 0 GFADRL CC(C)(CC(=O)[O-])[N-]S(=O)(=O)c1oc2ccccc2c1Br ZINC000864435944 662371116 /nfs/dbraw/zinc/37/11/16/662371116.db2.gz OXSAEVKQSMCQNQ-UHFFFAOYSA-N -2 0 376.228 2.727 20 0 GFADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2cc(N3CCCC3=O)ccc2F)c1 ZINC000917757684 664490042 /nfs/dbraw/zinc/49/00/42/664490042.db2.gz XEDYPUCOPGNNLF-UHFFFAOYSA-N -2 0 384.410 2.513 20 0 GFADRL CC[C@@H](CNS(=O)(=O)c1ccc(Br)cc1Cl)CC(=O)[O-] ZINC000147393362 551398031 /nfs/dbraw/zinc/39/80/31/551398031.db2.gz XCAHGMFQDMIPIH-MRVPVSSYSA-N -2 0 384.679 2.882 20 0 GFADRL CS(=O)(=O)Nc1ccc(C(F)(F)F)cc1NS(=O)(=O)CCCCF ZINC000295915345 563267502 /nfs/dbraw/zinc/26/75/02/563267502.db2.gz JGBNJQRDVJBNBK-UHFFFAOYSA-N -2 0 392.396 2.568 20 0 GFADRL O=C([O-])CC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cccnc1C(F)(F)F ZINC000297232079 563320212 /nfs/dbraw/zinc/32/02/12/563320212.db2.gz PATGKPQDKPBYKN-WDEREUQCSA-N -2 0 380.388 2.802 20 0 GFADRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cn(CC(C)C)cn1 ZINC000425991176 563441615 /nfs/dbraw/zinc/44/16/15/563441615.db2.gz SJXYFICUUVWQRF-UHFFFAOYSA-N -2 0 387.845 2.700 20 0 GFADRL COC(=O)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)ccc1Cl ZINC000319590130 563445712 /nfs/dbraw/zinc/44/57/12/563445712.db2.gz KDSHVLKODMUVHM-UHFFFAOYSA-N -2 0 375.811 2.687 20 0 GFADRL CCn1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc(C(F)(F)F)c2)nc1C ZINC000327548174 563458702 /nfs/dbraw/zinc/45/87/02/563458702.db2.gz DFROFYKOMYQRLC-UHFFFAOYSA-N -2 0 377.344 2.729 20 0 GFADRL COc1cc([N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)c(OC)cc1Cl ZINC000392222502 563526169 /nfs/dbraw/zinc/52/61/69/563526169.db2.gz LOGQYHANCYVEFG-UHFFFAOYSA-N -2 0 385.825 2.997 20 0 GFADRL Cc1ccc(-c2ccnn2C)cc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000410421126 563590386 /nfs/dbraw/zinc/59/03/86/563590386.db2.gz UGRGGYXAVVQEJT-UHFFFAOYSA-N -2 0 377.447 2.956 20 0 GFADRL O=C([O-])c1ccc([O-])c(S(=O)(=O)Nc2ccc(Br)cc2F)c1 ZINC000437000963 563688401 /nfs/dbraw/zinc/68/84/01/563688401.db2.gz UTHWSGWNQUPTSA-UHFFFAOYSA-N -2 0 390.186 2.793 20 0 GFADRL COC(=O)c1c(C)cccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000438817116 563711575 /nfs/dbraw/zinc/71/15/75/563711575.db2.gz XYNREAGTNJIJME-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL CCOc1ccncc1S(=O)(=O)[N-]c1ccc(S[C@H](C)C(=O)[O-])cc1 ZINC000414379343 563731390 /nfs/dbraw/zinc/73/13/90/563731390.db2.gz CLQINBXZYXHDDW-LLVKDONJSA-N -2 0 382.463 2.846 20 0 GFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)cc1OC ZINC000447782084 563885801 /nfs/dbraw/zinc/88/58/01/563885801.db2.gz WQYSPAFAQWUFPP-UHFFFAOYSA-N -2 0 389.788 2.995 20 0 GFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])cc1OC ZINC000447781360 563886046 /nfs/dbraw/zinc/88/60/46/563886046.db2.gz BQOKUFUJOMCNSF-UHFFFAOYSA-N -2 0 389.788 2.995 20 0 GFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(O)c2)cc1OC ZINC000447782807 563886451 /nfs/dbraw/zinc/88/64/51/563886451.db2.gz JLILJIRPWFQBPM-UHFFFAOYSA-N -2 0 387.797 2.562 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2O)cc1C(=O)[O-] ZINC000471967532 564209070 /nfs/dbraw/zinc/20/90/70/564209070.db2.gz MCWIPVDXFUGBGE-UHFFFAOYSA-N -2 0 375.761 2.692 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2OCC(F)F)c(F)c1 ZINC000474305716 564274370 /nfs/dbraw/zinc/27/43/70/564274370.db2.gz VUNAKPZUBJKIFN-UHFFFAOYSA-N -2 0 375.324 2.969 20 0 GFADRL COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1C ZINC000509661768 564308243 /nfs/dbraw/zinc/30/82/43/564308243.db2.gz SOIFMMFVAVZTDX-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL O=C([O-])c1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cc(F)c(F)cc2Cl)c1 ZINC000476386765 564337175 /nfs/dbraw/zinc/33/71/75/564337175.db2.gz QQXCMVNOWGWXNV-UHFFFAOYSA-N -2 0 391.735 2.815 20 0 GFADRL Cc1c(Br)cccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1O ZINC000476400442 564337998 /nfs/dbraw/zinc/33/79/98/564337998.db2.gz LCAIYBMOTBFKDL-UHFFFAOYSA-N -2 0 386.223 2.962 20 0 GFADRL COc1cc([N-]S(=O)(=O)c2ccccc2SC)c(C(=O)[O-])cc1OC ZINC000479179525 564430126 /nfs/dbraw/zinc/43/01/26/564430126.db2.gz DDCQTEOQOOSQOM-UHFFFAOYSA-N -2 0 383.447 2.925 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2cn(C)nc2C(F)(F)F)cc(C(=O)[O-])c1C ZINC000546038736 564441031 /nfs/dbraw/zinc/44/10/31/564441031.db2.gz LRBDHVNJJYEFML-UHFFFAOYSA-N -2 0 377.344 2.555 20 0 GFADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1ccc2ncsc2c1 ZINC000479484281 564441807 /nfs/dbraw/zinc/44/18/07/564441807.db2.gz AUBFQNSBABZCHQ-UHFFFAOYSA-N -2 0 382.394 2.943 20 0 GFADRL COC(=O)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc(Cl)c1F ZINC000480230301 564464764 /nfs/dbraw/zinc/46/47/64/564464764.db2.gz QRIUJMAGGAXPAG-UHFFFAOYSA-N -2 0 393.801 2.826 20 0 GFADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000546779455 564467983 /nfs/dbraw/zinc/46/79/83/564467983.db2.gz JQHWLJPOMUEVGJ-UHFFFAOYSA-N -2 0 376.184 2.550 20 0 GFADRL CC(C)n1cc(S(=O)(=O)[N-]c2ccc(Br)cc2C(=O)[O-])cn1 ZINC000547545610 564492704 /nfs/dbraw/zinc/49/27/04/564492704.db2.gz QUSVHUCEJYEQHP-UHFFFAOYSA-N -2 0 388.243 2.726 20 0 GFADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)cc1Br ZINC000481455667 564512675 /nfs/dbraw/zinc/51/26/75/564512675.db2.gz WPVFAYQIIGNTHT-UHFFFAOYSA-N -2 0 386.223 2.962 20 0 GFADRL O=C([O-])[C@@]1(NS(=O)(=O)c2cc3cc(Cl)ccc3s2)CCSC1 ZINC000517736082 564541281 /nfs/dbraw/zinc/54/12/81/564541281.db2.gz GJZWIDMZOIYJGU-CYBMUJFWSA-N -2 0 377.896 2.793 20 0 GFADRL COCCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1Cl ZINC000518093964 564546205 /nfs/dbraw/zinc/54/62/05/564546205.db2.gz WQXQPJPDKNDMRG-UHFFFAOYSA-N -2 0 391.854 2.926 20 0 GFADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000519217660 564572558 /nfs/dbraw/zinc/57/25/58/564572558.db2.gz SVKDJBHMQQUACM-UHFFFAOYSA-N -3 0 387.460 2.976 20 0 GFADRL O=C([O-])C[C@H](CC[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)C(F)(F)F ZINC000571927226 564572754 /nfs/dbraw/zinc/57/27/54/564572754.db2.gz SOQFLKLBVHADOD-LURJTMIESA-N -2 0 395.733 2.940 20 0 GFADRL COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C)c(C(=O)[O-])c1 ZINC000484799880 564599610 /nfs/dbraw/zinc/59/96/10/564599610.db2.gz UDZNVPMDLKIMQJ-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL COC(=O)c1cccc(Cl)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(C)c1 ZINC000573272212 564631265 /nfs/dbraw/zinc/63/12/65/564631265.db2.gz UEJSBXLKUSDEMG-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL O=C([O-])C[C@@H](CC[N-]S(=O)(=O)c1c(F)cccc1Cl)C(F)(F)F ZINC000551910978 564668105 /nfs/dbraw/zinc/66/81/05/564668105.db2.gz RAHIEWWLLHTNNM-SSDOTTSWSA-N -2 0 377.743 2.801 20 0 GFADRL O=C([O-])C[C@H]1CCCN(C(=O)N=c2nc(-c3ccccc3Cl)[n-]s2)C1 ZINC000575235979 564694237 /nfs/dbraw/zinc/69/42/37/564694237.db2.gz XFWQHUAYJQGSAN-SNVBAGLBSA-N -2 0 380.857 2.999 20 0 GFADRL CCc1nc(C)c([N-]S(=O)(=O)c2ccc(C(=O)CCC(=O)[O-])cc2)s1 ZINC000488996911 564726442 /nfs/dbraw/zinc/72/64/42/564726442.db2.gz OPNXZWOWQBXICF-UHFFFAOYSA-N -2 0 382.463 2.862 20 0 GFADRL COCCc1nc(=NCc2cccc(-c3nc(C(=O)[O-])cs3)c2)s[n-]1 ZINC000580956580 564781552 /nfs/dbraw/zinc/78/15/52/564781552.db2.gz BNNOETZSQSUQRK-UHFFFAOYSA-N -2 0 376.463 2.583 20 0 GFADRL O=C([O-])[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000581373264 564799939 /nfs/dbraw/zinc/79/99/39/564799939.db2.gz PFRPYECMVQRUIF-SSDOTTSWSA-N -2 0 384.134 2.816 20 0 GFADRL Cc1ncsc1[C@H](NS(=O)(=O)c1oc2ccc(F)cc2c1C)C(=O)[O-] ZINC000530338126 564876504 /nfs/dbraw/zinc/87/65/04/564876504.db2.gz WBYNRUUPHBYRMF-LBPRGKRZSA-N -2 0 384.410 2.749 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2c(C)c(Cl)ccc2C(=O)[O-])oc1C ZINC000614326051 565107911 /nfs/dbraw/zinc/10/79/11/565107911.db2.gz QTQWITMDFMWYKP-UHFFFAOYSA-N -2 0 387.797 2.835 20 0 GFADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1N1CCCC1=O ZINC000591678863 565236535 /nfs/dbraw/zinc/23/65/35/565236535.db2.gz XNEMCLCASHWFML-UHFFFAOYSA-N -2 0 380.447 2.682 20 0 GFADRL COCCOc1ccc(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000591682283 565236558 /nfs/dbraw/zinc/23/65/58/565236558.db2.gz NDTIWZZAIBOWEZ-UHFFFAOYSA-N -2 0 389.426 2.720 20 0 GFADRL CCNC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000596917624 565541940 /nfs/dbraw/zinc/54/19/40/565541940.db2.gz ZAUCXQCKWMYKGM-UHFFFAOYSA-N -2 0 388.854 2.650 20 0 GFADRL COc1cc(Cl)ccc1S(=O)(=O)[N-]c1cc2c(cc1C(=O)[O-])OCO2 ZINC000649467378 565762213 /nfs/dbraw/zinc/76/22/13/565762213.db2.gz NKZYJXUZPXXJJK-UHFFFAOYSA-N -2 0 385.781 2.576 20 0 GFADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])cc1C ZINC000610194284 566070483 /nfs/dbraw/zinc/07/04/83/566070483.db2.gz PZEDLVMMRMGVOQ-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL COc1cc(C(F)(F)F)ncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000682872825 566174045 /nfs/dbraw/zinc/17/40/45/566174045.db2.gz YMVDDBNRROXJIO-UHFFFAOYSA-N -2 0 382.341 2.670 20 0 GFADRL COc1cc(C(F)(F)F)ncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000682872022 566174930 /nfs/dbraw/zinc/17/49/30/566174930.db2.gz KVOMBOFVINXXFC-UHFFFAOYSA-N -2 0 396.368 2.978 20 0 GFADRL C[C@H](C(=O)[O-])N(C)C(=O)c1nn(-c2ccc(Cl)cc2C(F)(F)F)cc1[O-] ZINC000817769083 596935073 /nfs/dbraw/zinc/93/50/73/596935073.db2.gz XEPWFVYHVVQCOG-SSDOTTSWSA-N -2 0 391.733 2.795 20 0 GFADRL Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)cc2F)n1 ZINC000738370553 599737726 /nfs/dbraw/zinc/73/77/26/599737726.db2.gz CQUAUEVXSVSTCW-UHFFFAOYSA-N -2 0 379.369 2.720 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCCCC3)cc2)o1 ZINC000740177620 599738888 /nfs/dbraw/zinc/73/88/88/599738888.db2.gz NQDFFRIMFWGGAM-UHFFFAOYSA-N -2 0 392.433 2.795 20 0 GFADRL O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)c1c(Cl)nc2sccn21 ZINC000727749261 599752992 /nfs/dbraw/zinc/75/29/92/599752992.db2.gz VXLNSWXHRGGCGZ-UHFFFAOYSA-N -2 0 375.790 2.687 20 0 GFADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(-c3n[nH]c(C4CC4)n3)cc2)c1 ZINC000523187051 599768635 /nfs/dbraw/zinc/76/86/35/599768635.db2.gz KSFKRQZMFXQUDC-UHFFFAOYSA-N -2 0 390.446 2.910 20 0 GFADRL COc1cccc(Cc2cnc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)s2)c1 ZINC000738102630 599802286 /nfs/dbraw/zinc/80/22/86/599802286.db2.gz LKTNLULGCLJWTI-UHFFFAOYSA-N -2 0 394.430 2.835 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-n3cnc4ccccc43)nc2)o1 ZINC000740177136 599802693 /nfs/dbraw/zinc/80/26/93/599802693.db2.gz GBMAZUMWYPWRMC-UHFFFAOYSA-N -2 0 384.373 2.513 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)c(C(=O)[O-])s1 ZINC000737681105 599813992 /nfs/dbraw/zinc/81/39/92/599813992.db2.gz PRTOCLZSXCRNGN-UHFFFAOYSA-N -2 0 389.838 2.996 20 0 GFADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)C[C@@H]2CCCc3ccccc32)cc1 ZINC000739221598 599885429 /nfs/dbraw/zinc/88/54/29/599885429.db2.gz FMAOORKVBHQALW-KRWDZBQOSA-N -2 0 387.457 2.841 20 0 GFADRL O=C([O-])CSCc1cccc(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1 ZINC000739874200 599926991 /nfs/dbraw/zinc/92/69/91/599926991.db2.gz OMFMFPJCQHNUIV-UHFFFAOYSA-N -2 0 399.421 2.643 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2cccc3c2ccn3C)c(C(=O)[O-])s1 ZINC000737681077 599981440 /nfs/dbraw/zinc/98/14/40/599981440.db2.gz PKRLCBIWYSJFHD-UHFFFAOYSA-N -2 0 394.430 2.525 20 0 GFADRL CC[C@H](C)N1C(=O)N[C@H](c2cccc(O[C@H](C)C(=O)[O-])c2)C(C(=O)[O-])=C1C ZINC000736885038 599984800 /nfs/dbraw/zinc/98/48/00/599984800.db2.gz WBLMAKHOZMTCJP-KANYHAFZSA-N -2 0 376.409 2.762 20 0 GFADRL CCC1=C(C(=O)[O-])[C@H](c2cscn2)NC(=O)N1Cc1ccc(C(=O)[O-])cc1 ZINC000736931832 599987031 /nfs/dbraw/zinc/98/70/31/599987031.db2.gz JIFQQWPBVRRRSV-HNNXBMFYSA-N -2 0 387.417 2.857 20 0 GFADRL O=C([O-])c1cc(C(F)(F)F)cc(S(=O)(=O)[N-]C(=O)c2ccc(F)cc2)c1 ZINC000740074532 600044937 /nfs/dbraw/zinc/04/49/37/600044937.db2.gz NOUBDVHMCXARNQ-UHFFFAOYSA-N -2 0 391.298 2.661 20 0 GFADRL Cc1ccc(C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C(F)(F)F)c2)s1 ZINC000738513327 600045161 /nfs/dbraw/zinc/04/51/61/600045161.db2.gz JDUPEBBATLMWBG-UHFFFAOYSA-N -2 0 393.364 2.892 20 0 GFADRL O=C([O-])c1cc(-c2csc([N-]S(=O)(=O)Cc3ccc(F)cc3)n2)c[nH]1 ZINC000740068259 600055328 /nfs/dbraw/zinc/05/53/28/600055328.db2.gz CDYUWHKAMIQCHW-UHFFFAOYSA-N -2 0 381.410 2.917 20 0 GFADRL O=C([O-])Nc1cc([N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)ccc1F ZINC000740013385 600101602 /nfs/dbraw/zinc/10/16/02/600101602.db2.gz HMLWOOUQSTYYND-UHFFFAOYSA-N -2 0 376.369 2.902 20 0 GFADRL C[C@@H](C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1)C(C)(C)C ZINC000736214383 600203224 /nfs/dbraw/zinc/20/32/24/600203224.db2.gz DUOIYRIFQRYFBR-QMMMGPOBSA-N -2 0 381.372 2.891 20 0 GFADRL CC(C)(C)[S@@](=O)Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1 ZINC000736287289 600211112 /nfs/dbraw/zinc/21/11/12/600211112.db2.gz MJMRLZWHZTZJMH-DEOSSOPVSA-N -2 0 385.463 2.826 20 0 GFADRL CCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000737029244 600230501 /nfs/dbraw/zinc/23/05/01/600230501.db2.gz FHCHCCXCRCMBNB-UHFFFAOYSA-N -2 0 398.387 2.604 20 0 GFADRL O=C([O-])c1c[nH]c2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3F)ccc12 ZINC000740143813 600237043 /nfs/dbraw/zinc/23/70/43/600237043.db2.gz KLNUTWXGDFZNDL-UHFFFAOYSA-N -3 0 378.337 2.504 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc3ccn(C)c3c2)c(C(=O)[O-])s1 ZINC000737681029 600243385 /nfs/dbraw/zinc/24/33/85/600243385.db2.gz OWLSOVXRLGPUSJ-UHFFFAOYSA-N -2 0 394.430 2.525 20 0 GFADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(N2CCCCC2)cn1 ZINC000738347709 600247384 /nfs/dbraw/zinc/24/73/84/600247384.db2.gz SHJDPFPGNCQMAW-UHFFFAOYSA-N -2 0 375.450 2.879 20 0 GFADRL O=C([O-])c1sc2ccccc2c1S(=O)(=O)[N-]c1ccc2c(c1)CC(=O)N2 ZINC000740316176 600258998 /nfs/dbraw/zinc/25/89/98/600258998.db2.gz MRSRKYHUHLXZCB-UHFFFAOYSA-N -2 0 388.426 2.895 20 0 GFADRL Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(CN(C)C(=O)[O-])cc1 ZINC000738901161 600301524 /nfs/dbraw/zinc/30/15/24/600301524.db2.gz QKRRGUBHTSVMFS-UHFFFAOYSA-N -2 0 380.470 2.991 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2ccc(CN(C)C(=O)[O-])cc2)sc1C(=O)[O-] ZINC000738477047 600301703 /nfs/dbraw/zinc/30/17/03/600301703.db2.gz BTHAYVMLNPDQKX-UHFFFAOYSA-N -3 0 384.435 2.665 20 0 GFADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)/C(=C/c1ccc(F)cc1)c1cccs1 ZINC000739695908 600466466 /nfs/dbraw/zinc/46/64/66/600466466.db2.gz USSDQYHSYAWKNW-SDNWHVSQSA-N -2 0 397.449 2.739 20 0 GFADRL CCc1ccc(NS(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)c(C(=O)[O-])c1 ZINC000737267108 600535984 /nfs/dbraw/zinc/53/59/84/600535984.db2.gz UBPLLGRVYUUXRM-UHFFFAOYSA-N -2 0 393.417 2.602 20 0 GFADRL COC(=O)c1cc(NC(=O)CC2(C(=O)[O-])CCCCCC2)ccc1C(=O)[O-] ZINC000831264629 600669519 /nfs/dbraw/zinc/66/95/19/600669519.db2.gz JOXZWZWGQVANHU-UHFFFAOYSA-N -2 0 377.393 2.925 20 0 GFADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2ccccc2Sc2ccccc2)cn1 ZINC000833273683 600672943 /nfs/dbraw/zinc/67/29/43/600672943.db2.gz CLKDJWPFBNPFOE-UHFFFAOYSA-N -2 0 389.458 2.920 20 0 GFADRL O=C([O-])Nc1cccc([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)c1 ZINC000833289304 600676991 /nfs/dbraw/zinc/67/69/91/600676991.db2.gz KMAXETUABJWIMZ-UHFFFAOYSA-N -2 0 383.769 2.665 20 0 GFADRL O=C([O-])CCCOc1ccc(CNC(=O)c2nn(-c3ccccc3)cc2[O-])cc1 ZINC000833227435 600723358 /nfs/dbraw/zinc/72/33/58/600723358.db2.gz ITPMPCYTVXPMDH-UHFFFAOYSA-N -2 0 395.415 2.752 20 0 GFADRL O=C(/C=C\c1ccnc2ccccc12)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000739217195 600756791 /nfs/dbraw/zinc/75/67/91/600756791.db2.gz XEGWSHOYBKMUKR-KTKRTIGZSA-N -2 0 396.424 2.592 20 0 GFADRL Cn1cc(S(=O)(=O)[N-]c2ccc(Oc3ccc(F)cc3)cn2)cc1C(=O)[O-] ZINC000833055483 600830594 /nfs/dbraw/zinc/83/05/94/600830594.db2.gz GAWIIHPSUXVLDU-UHFFFAOYSA-N -2 0 391.380 2.851 20 0 GFADRL CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000829010016 600943628 /nfs/dbraw/zinc/94/36/28/600943628.db2.gz ZBZIHPKYPUIXFB-XKQJLSEDSA-N -2 0 397.493 2.705 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ncc(Cc3ccccc3F)s2)c[nH]1 ZINC000833306106 600977181 /nfs/dbraw/zinc/97/71/81/600977181.db2.gz DTKMIGRHRHUINB-UHFFFAOYSA-N -2 0 381.410 2.700 20 0 GFADRL Cn1c([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])nc2cc(F)ccc21 ZINC000833039134 600988726 /nfs/dbraw/zinc/98/87/26/600988726.db2.gz GAJNCTFLRIEEOG-UHFFFAOYSA-N -2 0 383.788 2.865 20 0 GFADRL Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC000580505926 601045681 /nfs/dbraw/zinc/04/56/81/601045681.db2.gz ZPUAMXSKQPNWGH-UHFFFAOYSA-N -2 0 375.381 2.819 20 0 GFADRL CCC[C@](C)(NC(=O)c1ccc([N-]S(=O)(=O)C(F)(F)F)c(C)c1)C(=O)[O-] ZINC000766913787 601197818 /nfs/dbraw/zinc/19/78/18/601197818.db2.gz MHDSVEVQPOUHDF-AWEZNQCLSA-N -2 0 396.387 2.630 20 0 GFADRL CCCCCn1nc(C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1OC ZINC000829372989 601201667 /nfs/dbraw/zinc/20/16/67/601201667.db2.gz AVKHWIFFNHJYRW-UHFFFAOYSA-N -2 0 381.454 2.889 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cc(F)c(OC)c(F)c1 ZINC000831945479 601203098 /nfs/dbraw/zinc/20/30/98/601203098.db2.gz IHKGUFVCXFUACH-UHFFFAOYSA-N -2 0 379.362 2.543 20 0 GFADRL CCOCCOCc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)c1 ZINC000830017621 601232601 /nfs/dbraw/zinc/23/26/01/601232601.db2.gz UFRYEPXCQYCLAU-UHFFFAOYSA-N -2 0 383.422 2.640 20 0 GFADRL O=C([O-])[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)C1 ZINC000833183188 601239618 /nfs/dbraw/zinc/23/96/18/601239618.db2.gz ALCNLAFABYHFBN-RKDXNWHRSA-N -2 0 397.346 2.540 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc([S@](=O)C(F)(F)F)cc2)s1 ZINC000833323342 601251480 /nfs/dbraw/zinc/25/14/80/601251480.db2.gz DICIFQOEFRGLLH-QHCPKHFHSA-N -2 0 399.393 2.875 20 0 GFADRL COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000005133003 601316843 /nfs/dbraw/zinc/31/68/43/601316843.db2.gz JWBAMDKCRRJRDV-UHFFFAOYSA-N -2 0 380.378 2.719 20 0 GFADRL CCCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)cc1 ZINC000013359405 601318924 /nfs/dbraw/zinc/31/89/24/601318924.db2.gz ZPILCYYLCFADPR-UHFFFAOYSA-N -2 0 393.417 2.761 20 0 GFADRL COC(=O)c1sc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)cc1C ZINC000831479830 601321012 /nfs/dbraw/zinc/32/10/12/601321012.db2.gz VATZJSWWYKVDMX-YVMONPNESA-N -2 0 381.431 2.742 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(NC(=O)C2CC2)c1 ZINC000028251060 601321094 /nfs/dbraw/zinc/32/10/94/601321094.db2.gz GUCGKCHKQVNJHL-UHFFFAOYSA-N -2 0 390.417 2.543 20 0 GFADRL COC(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000831253008 601323453 /nfs/dbraw/zinc/32/34/53/601323453.db2.gz YZICWWQIQUXLMN-RUDMXATFSA-N -2 0 379.365 2.511 20 0 GFADRL Cc1nc(-c2ccccc2[N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)no1 ZINC000832992216 601324100 /nfs/dbraw/zinc/32/41/00/601324100.db2.gz BYHIVGWQRBMIQM-FLIBITNWSA-N -2 0 385.401 2.944 20 0 GFADRL CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c(O)c1 ZINC000609905750 601330782 /nfs/dbraw/zinc/33/07/82/601330782.db2.gz STCNXDQHPSPMCB-UHFFFAOYSA-N -2 0 393.417 2.685 20 0 GFADRL CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3cc(C)c(C(=O)[O-])s3)ccc21 ZINC000825834380 601363369 /nfs/dbraw/zinc/36/33/69/601363369.db2.gz NUJZUOIQEMLLEN-UHFFFAOYSA-N -2 0 394.474 2.855 20 0 GFADRL CCC1(C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C(F)(F)F)c2)CCC1 ZINC000829033813 601363607 /nfs/dbraw/zinc/36/36/07/601363607.db2.gz XQYWPJNSDCOVTH-UHFFFAOYSA-N -2 0 379.356 2.789 20 0 GFADRL O=C([O-])C[C@@H](NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-])c1cccs1 ZINC000833200093 601387024 /nfs/dbraw/zinc/38/70/24/601387024.db2.gz INKLAMRKXQTPDW-GFCCVEGCSA-N -2 0 375.381 2.724 20 0 GFADRL O=C([O-])c1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc(F)cc1OC(F)F ZINC000833344712 601485471 /nfs/dbraw/zinc/48/54/71/601485471.db2.gz GULMAGJDEGJYIH-UHFFFAOYSA-N -2 0 396.730 2.975 20 0 GFADRL CC(C)Cc1nnc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)s1 ZINC000826913489 601501717 /nfs/dbraw/zinc/50/17/17/601501717.db2.gz XFDLOAOEROHDKT-UHFFFAOYSA-N -2 0 377.394 2.514 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2nnc(Cc3ccccc3F)s2)s1 ZINC000833324249 601504380 /nfs/dbraw/zinc/50/43/80/601504380.db2.gz QHMARWLOGSYSDW-UHFFFAOYSA-N -2 0 399.450 2.829 20 0 GFADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC(C)C ZINC000443376085 601575596 /nfs/dbraw/zinc/57/55/96/601575596.db2.gz QALIPXNWOZTOAV-UHFFFAOYSA-N -3 0 393.417 2.979 20 0 GFADRL COc1ccccc1-c1cc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)n[nH]1 ZINC000674755501 601603870 /nfs/dbraw/zinc/60/38/70/601603870.db2.gz ZRUMIGVYIMKPBK-UHFFFAOYSA-N -2 0 387.417 2.513 20 0 GFADRL Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000832933591 601629720 /nfs/dbraw/zinc/62/97/20/601629720.db2.gz ALKUCEJKZLKJHV-UHFFFAOYSA-N -3 0 375.811 2.907 20 0 GFADRL Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1nc(CCCC(=O)[O-])cs1 ZINC000833013164 601772562 /nfs/dbraw/zinc/77/25/62/601772562.db2.gz VCNMKGAYRYOTQD-UHFFFAOYSA-N -2 0 386.499 2.745 20 0 GFADRL COC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cc1 ZINC000063876924 601829378 /nfs/dbraw/zinc/82/93/78/601829378.db2.gz KRCVTYIEONVLGF-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cc1OC ZINC000746352237 601829980 /nfs/dbraw/zinc/82/99/80/601829980.db2.gz AIPTZSOZVHEYPM-UHFFFAOYSA-N -2 0 389.788 2.995 20 0 GFADRL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000063877578 601834241 /nfs/dbraw/zinc/83/42/41/601834241.db2.gz CEFDPRNDOWZQET-UHFFFAOYSA-N -3 0 387.772 2.985 20 0 GFADRL CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])c1 ZINC000825898421 601835394 /nfs/dbraw/zinc/83/53/94/601835394.db2.gz WXOUNLQBKCWFJB-UHFFFAOYSA-N -2 0 383.813 2.501 20 0 GFADRL CC(C)CNC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000826891785 601856206 /nfs/dbraw/zinc/85/62/06/601856206.db2.gz YEPLYMHDDCMQJG-UHFFFAOYSA-N -2 0 394.424 2.711 20 0 GFADRL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2nnc(-c3ccco3)s2)c1 ZINC000833297991 602101819 /nfs/dbraw/zinc/10/18/19/602101819.db2.gz ZFJAMFNUUUKJKR-UHFFFAOYSA-N -2 0 385.810 2.951 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nnc(-c2ccsc2)s1 ZINC000832208681 602102990 /nfs/dbraw/zinc/10/29/90/602102990.db2.gz MHWCPDRCSFVHIB-UHFFFAOYSA-N -2 0 397.459 2.774 20 0 GFADRL Cc1ccc(Cc2nnc([N-]S(=O)(=O)c3ccc(C(=O)[O-])s3)s2)cc1 ZINC000832934443 602105327 /nfs/dbraw/zinc/10/53/27/602105327.db2.gz OVTUCTXDJYRYAP-UHFFFAOYSA-N -2 0 395.487 2.998 20 0 GFADRL O=C([O-])CCCc1nnc([N-]S(=O)(=O)C2=Cc3ccccc3CC2)s1 ZINC000833231823 602105761 /nfs/dbraw/zinc/10/57/61/602105761.db2.gz BMIHGDVGOBGKHL-UHFFFAOYSA-N -2 0 379.463 2.674 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2nnc(CCCC(=O)[O-])s2)c(Cl)c1 ZINC000832956475 602106980 /nfs/dbraw/zinc/10/69/80/602106980.db2.gz FHUAULMTHUXAJV-UHFFFAOYSA-N -2 0 375.859 2.708 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cs2)ccc1OCCCC(=O)[O-] ZINC000832903678 602117760 /nfs/dbraw/zinc/11/77/60/602117760.db2.gz NDRIXUQQELSODI-UHFFFAOYSA-N -3 0 399.446 2.799 20 0 GFADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cc(-c3cccc(F)c3F)[nH]n2)c1 ZINC000760363097 602119230 /nfs/dbraw/zinc/11/92/30/602119230.db2.gz ADLWUBYUUUINSK-UHFFFAOYSA-N -2 0 397.334 2.993 20 0 GFADRL O=C([O-])c1nscc1[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000833346836 602156559 /nfs/dbraw/zinc/15/65/59/602156559.db2.gz PSHCXPXRZCKEIY-UHFFFAOYSA-N -2 0 381.204 2.544 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccccc1-n1ccc(C)n1 ZINC000831946328 602309719 /nfs/dbraw/zinc/30/97/19/602309719.db2.gz UPEVHMNZWFTZLH-UHFFFAOYSA-N -2 0 393.446 2.750 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2NC(=O)[O-])c(F)cc1F ZINC000739779403 602652930 /nfs/dbraw/zinc/65/29/30/602652930.db2.gz HOTVBCASYMFNDE-UHFFFAOYSA-N -2 0 386.332 2.642 20 0 GFADRL O=C([O-])Nc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(F)c(F)c2)c(Cl)c1 ZINC000740700653 602960227 /nfs/dbraw/zinc/96/02/27/602960227.db2.gz XRSIHYCUPBUCHY-UHFFFAOYSA-N -2 0 390.751 2.827 20 0 GFADRL CCN(Cc1cccc([N-]S(=O)(=O)c2c(C)nn(CC)c2C)c1)C(=O)[O-] ZINC000827172063 603240881 /nfs/dbraw/zinc/24/08/81/603240881.db2.gz VGKXFBGTDFKPTR-UHFFFAOYSA-N -2 0 380.470 2.821 20 0 GFADRL C[C@@H]1CN(C(=O)c2cc(Br)cc(Cl)c2[O-])CC[C@H]1NC(=O)[O-] ZINC000826033820 603545480 /nfs/dbraw/zinc/54/54/80/603545480.db2.gz BRFYOXSMGREPGU-RDDDGLTNSA-N -2 0 391.649 2.926 20 0 GFADRL CCN(CC1CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2[O-])CC1)C(=O)[O-] ZINC000827089636 603838826 /nfs/dbraw/zinc/83/88/26/603838826.db2.gz OHSBBKUPYXMYAZ-UHFFFAOYSA-N -2 0 390.415 2.569 20 0 GFADRL O=C([O-])Nc1cc2c(cc1[N-]S(=O)(=O)c1cccc3cnccc31)OCO2 ZINC000832829260 603889167 /nfs/dbraw/zinc/88/91/67/603889167.db2.gz QOFULYWIKTUJLA-UHFFFAOYSA-N -2 0 387.373 2.854 20 0 GFADRL O=C([O-])CCc1ccc(S(=O)(=O)Nc2cccc3c2CCN3C(=O)[O-])cc1 ZINC000831815575 604015398 /nfs/dbraw/zinc/01/53/98/604015398.db2.gz NRDVEEBICGEULR-UHFFFAOYSA-N -2 0 390.417 2.545 20 0 GFADRL Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)C[C@@H](C)C2CCN(C(=O)[O-])CC2)c1 ZINC000830276017 604383159 /nfs/dbraw/zinc/38/31/59/604383159.db2.gz YTIWCDZEJIREQA-CQSZACIVSA-N -2 0 382.482 2.525 20 0 GFADRL C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccccc1Cl)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824680455 604394432 /nfs/dbraw/zinc/39/44/32/604394432.db2.gz VZLXDGMAXXNXQQ-NWDGAFQWSA-N -2 0 388.873 2.561 20 0 GFADRL Cc1c(C(F)(F)F)cccc1S(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000832853763 604397094 /nfs/dbraw/zinc/39/70/94/604397094.db2.gz UVKMDAJFJLINGD-MNOVXSKESA-N -2 0 393.383 2.710 20 0 GFADRL Cc1ccc(-c2nnc([N-]S(=O)(=O)c3cc(C(=O)[O-])n(C)c3)s2)c(C)c1 ZINC000832908497 604402483 /nfs/dbraw/zinc/40/24/83/604402483.db2.gz ZQUODSATKKZVKD-UHFFFAOYSA-N -2 0 392.462 2.659 20 0 GFADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)c2ccc(-c3ccco3)s2)cc1 ZINC000833315645 604410768 /nfs/dbraw/zinc/41/07/68/604410768.db2.gz YJSZCDTVHPLJAV-UHFFFAOYSA-N -2 0 391.426 2.966 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]C(=O)C[C@H](C)[C@@H]2CCCN(C(=O)[O-])C2)c(C)s1 ZINC000830133529 604415459 /nfs/dbraw/zinc/41/54/59/604415459.db2.gz WDPUVKNUUZMYNK-GXFFZTMASA-N -2 0 388.511 2.586 20 0 GFADRL CC(C)(C(=O)[O-])[C@H](NC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1)c1ccccc1 ZINC000826103727 604707964 /nfs/dbraw/zinc/70/79/64/604707964.db2.gz VFFFXIBUPKAPGT-OAHLLOKOSA-N -2 0 381.388 2.612 20 0 GFADRL COc1cc(OC)c([N-]S(=O)(=O)c2ccc(F)cc2C(=O)[O-])cc1Cl ZINC000833728998 604745850 /nfs/dbraw/zinc/74/58/50/604745850.db2.gz NXCUKVVTKNUAOL-UHFFFAOYSA-N -2 0 389.788 2.995 20 0 GFADRL CCC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2OC)c1 ZINC000833635796 604861093 /nfs/dbraw/zinc/86/10/93/604861093.db2.gz ADBRLTKQOBDKEI-UHFFFAOYSA-N -2 0 393.417 2.796 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2ccc3ccn(C)c3c2)c(OC)c1C(=O)[O-] ZINC000833734415 604861141 /nfs/dbraw/zinc/86/11/41/604861141.db2.gz CSCDTEPAYWBURF-UHFFFAOYSA-N -2 0 390.417 2.695 20 0 GFADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)C2=Cc3ccccc3CC2)cc1F ZINC000833148347 604884757 /nfs/dbraw/zinc/88/47/57/604884757.db2.gz HSKSJNUIBIIWTR-UHFFFAOYSA-N -2 0 375.377 2.571 20 0 GFADRL CC(C)[C@@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)[C@@H](C)c1ccc(Cl)cc1Cl ZINC000833468253 604991688 /nfs/dbraw/zinc/99/16/88/604991688.db2.gz NTBYTTGRSOUVPG-QPUJVOFHSA-N -2 0 397.280 2.793 20 0 GFADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1S(=O)(=O)C(C)C ZINC000833747695 605053912 /nfs/dbraw/zinc/05/39/12/605053912.db2.gz FKWBJWMMUILXNN-UHFFFAOYSA-N -2 0 397.474 2.676 20 0 GFADRL CC(C)CCn1ccc([N-]S(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)n1 ZINC000833485445 605124021 /nfs/dbraw/zinc/12/40/21/605124021.db2.gz SULKAIVDUTXNOT-UHFFFAOYSA-N -2 0 377.466 2.846 20 0 GFADRL CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC000833669426 605124790 /nfs/dbraw/zinc/12/47/90/605124790.db2.gz FEEZOKXOVCIMKE-UHFFFAOYSA-N -2 0 389.429 2.864 20 0 GFADRL O=C([O-])CCOc1ccc(S(=O)(=O)[N-]c2cnoc2-c2ccccc2)cc1 ZINC000833775020 605202952 /nfs/dbraw/zinc/20/29/52/605202952.db2.gz SCAZSCFAGMXEOZ-UHFFFAOYSA-N -2 0 388.401 2.996 20 0 GFADRL Cc1sc([N-]S(=O)(=O)c2cccc(C(=O)N(C)C)c2)c(C(=O)[O-])c1C ZINC000833757880 605303231 /nfs/dbraw/zinc/30/32/31/605303231.db2.gz ALSZNCWNXUGJME-UHFFFAOYSA-N -2 0 382.463 2.566 20 0 GFADRL O=C([O-])Nc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000834275963 605410796 /nfs/dbraw/zinc/41/07/96/605410796.db2.gz SBHIHMNNTNORHT-UHFFFAOYSA-N -2 0 391.327 2.913 20 0 GFADRL C[C@@H]1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000833609404 605486465 /nfs/dbraw/zinc/48/64/65/605486465.db2.gz RNTLCIHNWWMELG-PRHODGIISA-N -2 0 379.356 2.645 20 0 GFADRL O=C([O-])CN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000834065421 606048566 /nfs/dbraw/zinc/04/85/66/606048566.db2.gz MCDZPWRGVLZROH-DGCLKSJQSA-N -2 0 388.342 2.555 20 0 GFADRL O=C([O-])C[C@H](NC(=O)Cc1ccc(NC(=O)[O-])cc1)c1ccc(F)cc1F ZINC000834060880 606068081 /nfs/dbraw/zinc/06/80/81/606068081.db2.gz LRTQZQKSBCCYNF-HNNXBMFYSA-N -2 0 378.331 2.929 20 0 GFADRL O=C([O-])N[C@@H]1CCc2ncc([N-]S(=O)(=O)c3ccccc3Cl)cc2C1 ZINC000834193332 606079836 /nfs/dbraw/zinc/07/98/36/606079836.db2.gz JSZWXQBXADGDFJ-LLVKDONJSA-N -2 0 381.841 2.661 20 0 GFADRL COc1cc(F)c(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)cc1OC ZINC000047318193 654693015 /nfs/dbraw/zinc/69/30/15/654693015.db2.gz PIMIFNBGXBASBQ-UHFFFAOYSA-N -2 0 389.788 2.995 20 0 GFADRL COCCOc1ccc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc1F ZINC000057124164 654801473 /nfs/dbraw/zinc/80/14/73/654801473.db2.gz IFLZGPREHFOLGH-UHFFFAOYSA-N -2 0 389.426 2.720 20 0 GFADRL Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000269933535 655027978 /nfs/dbraw/zinc/02/79/78/655027978.db2.gz DRFUXVCKZKJWND-UHFFFAOYSA-N -2 0 377.344 2.555 20 0 GFADRL CN(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2c(Cl)nc3sccn32)cc1 ZINC000737337383 655671243 /nfs/dbraw/zinc/67/12/43/655671243.db2.gz ZOBHYHJEQVAMDV-UHFFFAOYSA-N -2 0 386.842 2.964 20 0 GFADRL Cc1nc(Br)ccc1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000773244500 656405682 /nfs/dbraw/zinc/40/56/82/656405682.db2.gz SUSQACUWONIFJW-UHFFFAOYSA-N -2 0 389.202 2.791 20 0 GFADRL COC[C@@H](C)n1ccc([N-]S(=O)(=O)c2cc(C)c(Cl)c(C(=O)[O-])c2)n1 ZINC000777661603 656831849 /nfs/dbraw/zinc/83/18/49/656831849.db2.gz RNXFODSACFGZHQ-SNVBAGLBSA-N -2 0 387.845 2.551 20 0 GFADRL COc1ccc(O)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)c(Cl)c2F)c1 ZINC000779839551 656948114 /nfs/dbraw/zinc/94/81/14/656948114.db2.gz QYWLXSVVJKFHJC-UHFFFAOYSA-N -2 0 393.751 2.831 20 0 GFADRL COc1ccc(O)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(OC)cc2Cl)c1 ZINC000790399567 657968914 /nfs/dbraw/zinc/96/89/14/657968914.db2.gz RJUMXCGROGBZKI-UHFFFAOYSA-N -2 0 387.797 2.562 20 0 GFADRL O=C([O-])[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C1CCCC1 ZINC000863959144 662351268 /nfs/dbraw/zinc/35/12/68/662351268.db2.gz VCSMRLIQGUEAID-GFCCVEGCSA-N -2 0 380.249 2.689 20 0 GFADRL O=C([O-])CS[C@@H](CNC(=O)c1cc(F)c([O-])c(Cl)c1)C(F)(F)F ZINC000910350692 664206853 /nfs/dbraw/zinc/20/68/53/664206853.db2.gz BTGCMYIQTWNBNH-QMMMGPOBSA-N -2 0 375.727 2.663 20 0 GFADRL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)C[C@@H]1CCCC1(F)F ZINC000296893646 563306780 /nfs/dbraw/zinc/30/67/80/563306780.db2.gz ISPAFDXANNHEOE-LBPRGKRZSA-N -2 0 377.409 2.890 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc3n[nH]cc32)c(Br)c1 ZINC000320095071 563446403 /nfs/dbraw/zinc/44/64/03/563446403.db2.gz VFOKMTUWZHQBNX-UHFFFAOYSA-N -2 0 396.222 2.824 20 0 GFADRL CN(C)C(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000324679256 563452941 /nfs/dbraw/zinc/45/29/41/563452941.db2.gz NIMIYBJTJKYUFN-UHFFFAOYSA-N -2 0 388.854 2.602 20 0 GFADRL CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1Cl ZINC000327207399 563457440 /nfs/dbraw/zinc/45/74/40/563457440.db2.gz FGDIUPCLLTVKMG-UHFFFAOYSA-N -2 0 386.788 2.937 20 0 GFADRL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1ccc(S[C@@H](C)C(=O)[O-])cc1 ZINC000284967449 563497486 /nfs/dbraw/zinc/49/74/86/563497486.db2.gz FFEKXSLHGWPMSD-VIFPVBQESA-N -2 0 389.886 2.748 20 0 GFADRL COc1cc(Cl)ccc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC000392919605 563527655 /nfs/dbraw/zinc/52/76/55/563527655.db2.gz XLPNSCVAEKHRHO-UHFFFAOYSA-N -2 0 386.769 2.756 20 0 GFADRL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2[N-]S(C)(=O)=O)s1 ZINC000431169556 563556171 /nfs/dbraw/zinc/55/61/71/563556171.db2.gz TWSSFDPQCNFIAA-UHFFFAOYSA-N -2 0 378.472 2.676 20 0 GFADRL CS(=O)(=O)[N-]c1nnc(NC(=O)c2cc(Cl)c3ccccc3c2[O-])s1 ZINC000436546387 563673280 /nfs/dbraw/zinc/67/32/80/563673280.db2.gz KCDXUFWTWILDCP-UHFFFAOYSA-N -2 0 398.853 2.674 20 0 GFADRL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2)c1 ZINC000436652869 563676096 /nfs/dbraw/zinc/67/60/96/563676096.db2.gz AYPHSDDAEZMMOU-UHFFFAOYSA-N -2 0 376.312 2.613 20 0 GFADRL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000436718680 563677626 /nfs/dbraw/zinc/67/76/26/563677626.db2.gz FTBXFZQFAMWIAL-UHFFFAOYSA-N -3 0 385.781 2.551 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)nn1-c1ccccc1Cl ZINC000538497434 564192734 /nfs/dbraw/zinc/19/27/34/564192734.db2.gz UMBXKGHMDMNPJA-UHFFFAOYSA-N -2 0 380.813 2.661 20 0 GFADRL CNC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000506732264 564210697 /nfs/dbraw/zinc/21/06/97/564210697.db2.gz VQIDXNNEZWOZMN-UHFFFAOYSA-N -2 0 382.825 2.507 20 0 GFADRL Cc1sc2c(cccc2C)c1S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-] ZINC000564809109 564250144 /nfs/dbraw/zinc/25/01/44/564250144.db2.gz SKUFXSFHFKKDMI-GFCCVEGCSA-N -2 0 385.463 2.505 20 0 GFADRL CSc1cc2c(cc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1)OCCO2 ZINC000509584640 564304730 /nfs/dbraw/zinc/30/47/30/564304730.db2.gz CUDDZYILFXZKFJ-UHFFFAOYSA-N -2 0 387.460 2.740 20 0 GFADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)c(Cl)c1 ZINC000476771847 564352885 /nfs/dbraw/zinc/35/28/85/564352885.db2.gz KXZWYGVHQLFYJG-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc(CC(=O)[O-])c1 ZINC000512746270 564409956 /nfs/dbraw/zinc/40/99/56/564409956.db2.gz FFGXCEGQNIFDKT-UHFFFAOYSA-N -2 0 383.809 2.555 20 0 GFADRL COc1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c(OC)c(C)c1OC ZINC000478707735 564412986 /nfs/dbraw/zinc/41/29/86/564412986.db2.gz YREYSBDIOXXKMR-UHFFFAOYSA-N -2 0 387.435 2.581 20 0 GFADRL Cn1cc(S(=O)(=O)[N-]c2cccc(Cl)c2OCC(F)F)cc1C(=O)[O-] ZINC000568436701 564418235 /nfs/dbraw/zinc/41/82/35/564418235.db2.gz ZHPVQLVBMCAMRA-UHFFFAOYSA-N -2 0 394.783 2.821 20 0 GFADRL COc1ccc(Br)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccco1 ZINC000479195534 564431011 /nfs/dbraw/zinc/43/10/11/564431011.db2.gz WNFHWWJZCWKRJA-UHFFFAOYSA-N -2 0 376.184 2.550 20 0 GFADRL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)[O-] ZINC000547547032 564492468 /nfs/dbraw/zinc/49/24/68/564492468.db2.gz KSNSALFMQIOATQ-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL Cc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(Br)o2)cc1F ZINC000547613109 564503345 /nfs/dbraw/zinc/50/33/45/564503345.db2.gz XWKHBMORAZIOAC-UHFFFAOYSA-N -2 0 378.175 2.989 20 0 GFADRL COc1cc(NC(C)=O)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000516617860 564507292 /nfs/dbraw/zinc/50/72/92/564507292.db2.gz BVEHJYUEENMHLD-UHFFFAOYSA-N -2 0 384.435 2.523 20 0 GFADRL COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc(F)c1C(=O)[O-] ZINC000548193605 564534746 /nfs/dbraw/zinc/53/47/46/564534746.db2.gz ZUHPOJMFFKBDFE-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC000548261207 564544375 /nfs/dbraw/zinc/54/43/75/564544375.db2.gz IYYCQITYPVVTTM-UHFFFAOYSA-N -2 0 375.324 2.753 20 0 GFADRL C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)c2cc(Cl)cc(Br)c2[O-])C1 ZINC000571680370 564561369 /nfs/dbraw/zinc/56/13/69/564561369.db2.gz VIQTWYDXEWARGA-SFYZADRCSA-N -2 0 376.634 2.991 20 0 GFADRL C[C@@H](CC(=O)[O-])NC(=O)c1cc(Br)c([O-])c(Br)c1 ZINC000455757967 564569832 /nfs/dbraw/zinc/56/98/32/564569832.db2.gz RINNGLKMBCQVRB-YFKPBYRVSA-N -2 0 381.020 2.510 20 0 GFADRL O=C([O-])C[C@@H]1CCCN(C(=O)N=c2nc(-c3cccc(Cl)c3)[n-]s2)C1 ZINC000571984180 564575697 /nfs/dbraw/zinc/57/56/97/564575697.db2.gz GHYVSOANLUACSY-JTQLQIEISA-N -2 0 380.857 2.999 20 0 GFADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000485304737 564611645 /nfs/dbraw/zinc/61/16/45/564611645.db2.gz ZVZWGQAPFRUXFQ-UHFFFAOYSA-N -3 0 385.394 2.745 20 0 GFADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2scnc2c1 ZINC000499233214 564921480 /nfs/dbraw/zinc/92/14/80/564921480.db2.gz MGMBFQYGKCJVBS-UHFFFAOYSA-N -2 0 378.431 2.733 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(CCCC(=O)[O-])cc2)cs1 ZINC000534688844 564994247 /nfs/dbraw/zinc/99/42/47/564994247.db2.gz CKXPIZOQMZRBTR-UHFFFAOYSA-N -2 0 383.447 2.743 20 0 GFADRL COC(=O)c1csc(S(=O)(=O)[N-]c2ccc(CCCC(=O)[O-])cc2)c1 ZINC000534686173 564994336 /nfs/dbraw/zinc/99/43/36/564994336.db2.gz CAXJKDRGKOGOGB-UHFFFAOYSA-N -2 0 383.447 2.743 20 0 GFADRL CCc1onc(C)c1[N-]S(=O)(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC000534973202 565000793 /nfs/dbraw/zinc/00/07/93/565000793.db2.gz CFDAHXGVCVBIAK-UHFFFAOYSA-N -2 0 389.227 2.807 20 0 GFADRL CC(C)Cn1cnc(S(=O)(=O)[N-]c2ccc(S[C@@H](C)C(=O)[O-])cc2)c1 ZINC000504679753 565042920 /nfs/dbraw/zinc/04/29/20/565042920.db2.gz DULXWXNKJHWYBP-LBPRGKRZSA-N -2 0 383.495 2.905 20 0 GFADRL CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])s1 ZINC000617467870 565240930 /nfs/dbraw/zinc/24/09/30/565240930.db2.gz KBMFOHCMKUGEOW-QMMMGPOBSA-N -2 0 386.426 2.583 20 0 GFADRL CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(=O)[O-])s1 ZINC000617467842 565241201 /nfs/dbraw/zinc/24/12/01/565241201.db2.gz JEIAAMHCPMYJGK-JTQLQIEISA-N -2 0 382.463 2.753 20 0 GFADRL CC(C)c1scnc1[N-]S(=O)(=O)c1cc2c(c(C(=O)[O-])c1)OCCO2 ZINC000673497604 565837979 /nfs/dbraw/zinc/83/79/79/565837979.db2.gz WQTOMEBZKLJFBW-UHFFFAOYSA-N -2 0 384.435 2.537 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)c(OC)n1 ZINC000677847385 565985899 /nfs/dbraw/zinc/98/58/99/565985899.db2.gz GCBZFCBJMPHOHI-UHFFFAOYSA-N -2 0 386.813 2.560 20 0 GFADRL COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccccc1CC(=O)[O-] ZINC000818521999 597315763 /nfs/dbraw/zinc/31/57/63/597315763.db2.gz GQWMRHZNQPHPOQ-UHFFFAOYSA-N -2 0 383.809 2.555 20 0 GFADRL CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c(C(F)(F)F)c1 ZINC000736159797 599736417 /nfs/dbraw/zinc/73/64/17/599736417.db2.gz LXAMRNLLYRZALM-UHFFFAOYSA-N -2 0 392.311 2.756 20 0 GFADRL CN(C)C(=O)Sc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000057784909 599752527 /nfs/dbraw/zinc/75/25/27/599752527.db2.gz SHRTUSSXKWTOGG-UHFFFAOYSA-N -2 0 380.447 2.959 20 0 GFADRL Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2C)c(C)c1OCC(=O)[O-] ZINC000476760258 599768050 /nfs/dbraw/zinc/76/80/50/599768050.db2.gz AMEHJHMIRPLVGF-UHFFFAOYSA-N -2 0 393.417 2.574 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2SC)c(C(=O)[O-])s1 ZINC000737682248 599814558 /nfs/dbraw/zinc/81/45/58/599814558.db2.gz XZEBJWGJNFHPSF-UHFFFAOYSA-N -2 0 387.460 2.756 20 0 GFADRL Cc1cc(OCC(=O)[O-])ccc1NC(=O)CC1(C(=O)[O-])Cc2ccccc2C1 ZINC000738475614 599941519 /nfs/dbraw/zinc/94/15/19/599941519.db2.gz ADLRFJQFRBZCOD-UHFFFAOYSA-N -2 0 383.400 2.657 20 0 GFADRL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2c1ccn2C ZINC000737718316 599981728 /nfs/dbraw/zinc/98/17/28/599981728.db2.gz QHSURNNGDXBRAO-UHFFFAOYSA-N -2 0 394.430 2.525 20 0 GFADRL CC[C@@H](C)N1C(=O)N[C@H](c2ccc(OCCC(=O)[O-])cc2)C(C(=O)[O-])=C1C ZINC000736885002 599984822 /nfs/dbraw/zinc/98/48/22/599984822.db2.gz UGLLOEJFVGCDSJ-PIGZYNQJSA-N -2 0 376.409 2.764 20 0 GFADRL CCCCSCC(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000737001179 600044715 /nfs/dbraw/zinc/04/47/15/600044715.db2.gz OLAWNLBCVDYCNI-UHFFFAOYSA-N -2 0 399.412 2.742 20 0 GFADRL O=C([O-])c1cc(C(F)(F)F)cc(S(=O)(=O)[N-]C(=O)C[C@@H]2C=CCC2)c1 ZINC000739218293 600045079 /nfs/dbraw/zinc/04/50/79/600045079.db2.gz HQFBJIRJRAEGIG-SECBINFHSA-N -2 0 377.340 2.565 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])c(OC)n1 ZINC000738040343 600053083 /nfs/dbraw/zinc/05/30/83/600053083.db2.gz RIVDMNXELGSKFF-UHFFFAOYSA-N -2 0 394.430 2.813 20 0 GFADRL O=C([O-])Cc1csc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)n1 ZINC000738633242 600054289 /nfs/dbraw/zinc/05/42/89/600054289.db2.gz KUHPHHMAPGATSG-UHFFFAOYSA-N -2 0 384.332 2.729 20 0 GFADRL CCOc1ccc(S(=O)(=O)[N-]c2nc(C)c(C(=O)[O-])s2)cc1OCC ZINC000737211255 600054492 /nfs/dbraw/zinc/05/44/92/600054492.db2.gz ZBLDLEVSJSANPR-UHFFFAOYSA-N -2 0 386.451 2.748 20 0 GFADRL CCN(CC)C(=O)c1ccccc1[N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000737085471 600097579 /nfs/dbraw/zinc/09/75/79/600097579.db2.gz LWSZHZYXFBEJJZ-UHFFFAOYSA-N -2 0 394.424 2.807 20 0 GFADRL O=C([O-])c1ccc(CCC(=O)[N-]S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000739255697 600100108 /nfs/dbraw/zinc/10/01/08/600100108.db2.gz GEOGXJYYUNTJKI-UHFFFAOYSA-N -2 0 383.425 2.976 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)cn2)ccc1Br ZINC000036803882 600101737 /nfs/dbraw/zinc/10/17/37/600101737.db2.gz QFZHJXRLDPRRCP-UHFFFAOYSA-N -2 0 391.630 2.997 20 0 GFADRL CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000738163876 600122820 /nfs/dbraw/zinc/12/28/20/600122820.db2.gz JMSQIQKFODBSIS-UHFFFAOYSA-N -2 0 385.348 2.679 20 0 GFADRL COc1ccc(S(=O)(=O)Nc2cc(C)[nH]c2C(=O)[O-])cc1Br ZINC000317438522 600176016 /nfs/dbraw/zinc/17/60/16/600176016.db2.gz XNTBGMCTYMFEEI-UHFFFAOYSA-N -2 0 389.227 2.593 20 0 GFADRL CCC[C@@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000736970421 600241837 /nfs/dbraw/zinc/24/18/37/600241837.db2.gz MLESLRXKARNSRC-INIZCTEOSA-N -2 0 388.530 2.531 20 0 GFADRL CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)cc1 ZINC000738203016 600361874 /nfs/dbraw/zinc/36/18/74/600361874.db2.gz MHJAVYRYOLJOPI-OAHLLOKOSA-N -2 0 399.428 2.698 20 0 GFADRL CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)cc1 ZINC000547546322 600391878 /nfs/dbraw/zinc/39/18/78/600391878.db2.gz JGBLXUHJAMUYME-UHFFFAOYSA-N -2 0 392.433 2.876 20 0 GFADRL CC[C@H](Sc1ccccc1)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000736927205 600421607 /nfs/dbraw/zinc/42/16/07/600421607.db2.gz AQUDXLHLGFATHP-NSHDSACASA-N -2 0 385.488 2.822 20 0 GFADRL Cc1cc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c(C)n1[C@@H](C)c1ccccc1 ZINC000738332569 600465197 /nfs/dbraw/zinc/46/51/97/600465197.db2.gz JTXBCZMYJHLBDD-AWEZNQCLSA-N -2 0 392.477 2.639 20 0 GFADRL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(Cl)c1 ZINC000066582886 600482840 /nfs/dbraw/zinc/48/28/40/600482840.db2.gz MWGWGAGSTHVWEY-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL O=C([O-])CCCOc1ccc(CNC(=O)c2n[n-]c3ccccc3c2=O)cc1 ZINC000739682239 600537249 /nfs/dbraw/zinc/53/72/49/600537249.db2.gz DCOMUHZTTSFEPF-UHFFFAOYSA-N -2 0 381.388 2.509 20 0 GFADRL CC1=C(C(=O)[O-])[C@H](c2cccc(OCC(=O)[O-])c2)NC(=O)N1CCC(C)C ZINC000736750285 600625128 /nfs/dbraw/zinc/62/51/28/600625128.db2.gz JDJCZBHTRMXKDN-KRWDZBQOSA-N -2 0 376.409 2.621 20 0 GFADRL CC(=O)N(Cc1ccc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])cc1)C1CC1 ZINC000736131165 600636133 /nfs/dbraw/zinc/63/61/33/600636133.db2.gz STCOKNYRXCGKOS-UHFFFAOYSA-N -2 0 394.474 2.758 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccnn2[C@H]2CCCc3ccccc32)c[nH]1 ZINC000833306271 600680501 /nfs/dbraw/zinc/68/05/01/600680501.db2.gz LZGNZYVRBZRVTH-INIZCTEOSA-N -2 0 386.433 2.636 20 0 GFADRL Cc1[nH]nc(S(=O)(=O)[N-]c2nc3ccccc3n2C2CCCC2)c1C(=O)[O-] ZINC000738334548 600757326 /nfs/dbraw/zinc/75/73/26/600757326.db2.gz BOYXJWWUQXDUHO-UHFFFAOYSA-N -2 0 389.437 2.682 20 0 GFADRL CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000013278907 600808338 /nfs/dbraw/zinc/80/83/38/600808338.db2.gz BSKVCOMXGKMFPA-UHFFFAOYSA-N -2 0 381.431 2.914 20 0 GFADRL CCOc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000516786495 600812725 /nfs/dbraw/zinc/81/27/25/600812725.db2.gz KFDBRWKISNMMMN-UHFFFAOYSA-N -2 0 392.355 2.942 20 0 GFADRL Cn1cc(S(=O)(=O)[N-]c2ncccc2OCC2CCCCC2)cc1C(=O)[O-] ZINC000833056010 600830739 /nfs/dbraw/zinc/83/07/39/600830739.db2.gz SBBBAHGZWSBCFG-UHFFFAOYSA-N -2 0 393.465 2.878 20 0 GFADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccc(N3CCSCC3)cc2)c1C(=O)[O-] ZINC000738970891 600897182 /nfs/dbraw/zinc/89/71/82/600897182.db2.gz VPJUVFHECAFAAD-UHFFFAOYSA-N -2 0 396.490 2.949 20 0 GFADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)[C@H]1C[C@]12CCCc1ccccc12 ZINC000833348326 600938687 /nfs/dbraw/zinc/93/86/87/600938687.db2.gz SYWOHWCPGYOCJI-ACJLOTCBSA-N -2 0 391.470 2.545 20 0 GFADRL Cc1ccc(Br)cc1C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000832910347 600944852 /nfs/dbraw/zinc/94/48/52/600944852.db2.gz BZSIYLFXPPOQKP-UHFFFAOYSA-N -2 0 398.234 2.574 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccnn2CCc2ccccc2)cs1 ZINC000833306284 600977323 /nfs/dbraw/zinc/97/73/23/600977323.db2.gz MMQRXMHIZPYILF-UHFFFAOYSA-N -2 0 377.447 2.686 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3n[nH]cc3c2)c(Br)c1 ZINC000319660682 600981861 /nfs/dbraw/zinc/98/18/61/600981861.db2.gz SNRVHXVKQBBHSM-UHFFFAOYSA-N -2 0 396.222 2.824 20 0 GFADRL COC(=O)c1ccnc([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])c1 ZINC000831457752 600982361 /nfs/dbraw/zinc/98/23/61/600982361.db2.gz WEXWYFRQROBNCE-UHFFFAOYSA-N -2 0 392.414 2.582 20 0 GFADRL Cc1ccccc1-c1cc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)n(C)n1 ZINC000832973469 600994872 /nfs/dbraw/zinc/99/48/72/600994872.db2.gz CQPNPVZIEOYWOG-UHFFFAOYSA-N -2 0 385.445 2.823 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc(Cn2cccn2)cc1 ZINC000831945440 601203065 /nfs/dbraw/zinc/20/30/65/601203065.db2.gz GRNXDIDIIIVWJH-UHFFFAOYSA-N -2 0 393.446 2.501 20 0 GFADRL COc1cc(S(=O)(=O)N(C)c2ccccc2C(=O)[O-])c(Cl)cc1C(=O)[O-] ZINC000480229839 601224167 /nfs/dbraw/zinc/22/41/67/601224167.db2.gz VRBXUINRFLHMDO-UHFFFAOYSA-N -2 0 399.808 2.570 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2ccc(C(=O)NCC(C)C)cc2C)cc1C(=O)[O-] ZINC000832862539 601233049 /nfs/dbraw/zinc/23/30/49/601233049.db2.gz BFIFNXKTICOOGE-UHFFFAOYSA-N -2 0 394.449 2.781 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(Cl)c2)cc1C(=O)[O-] ZINC000833030180 601233295 /nfs/dbraw/zinc/23/32/95/601233295.db2.gz STXLEWWBSRUXCN-UHFFFAOYSA-N -2 0 381.797 2.926 20 0 GFADRL COCCCOc1cccc([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])c1 ZINC000831705570 601234811 /nfs/dbraw/zinc/23/48/11/601234811.db2.gz SFBCRBHLFHLTMQ-UHFFFAOYSA-N -2 0 383.422 2.811 20 0 GFADRL Cc1nc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2OC(F)F)s1 ZINC000832995628 601251030 /nfs/dbraw/zinc/25/10/30/601251030.db2.gz FSAKKBNOPAYFKR-UHFFFAOYSA-N -2 0 378.378 2.860 20 0 GFADRL NC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)cc1 ZINC000013340639 601316668 /nfs/dbraw/zinc/31/66/68/601316668.db2.gz NCVOYQZHSLYINF-UHFFFAOYSA-N -2 0 389.216 2.591 20 0 GFADRL COC(=O)/C=C\c1ccc(S(=O)(=O)[N-]c2cc(C)c(C(=O)[O-])s2)cc1 ZINC000831124082 601320309 /nfs/dbraw/zinc/32/03/09/601320309.db2.gz LKUFURZLZTVEDO-YVMONPNESA-N -2 0 381.431 2.742 20 0 GFADRL CCOc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)ccc1OC ZINC000042795625 601324059 /nfs/dbraw/zinc/32/40/59/601324059.db2.gz WNUBJKXJYQOSGI-UHFFFAOYSA-N -2 0 381.406 2.602 20 0 GFADRL CNC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000831011020 601326279 /nfs/dbraw/zinc/32/62/79/601326279.db2.gz IAGBXXRYSATQGU-RUDMXATFSA-N -2 0 394.836 2.598 20 0 GFADRL COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)c(C(=O)[O-])c1 ZINC000832413272 601327931 /nfs/dbraw/zinc/32/79/31/601327931.db2.gz NLKLCJADGQNYDD-UHFFFAOYSA-N -2 0 399.808 2.854 20 0 GFADRL CC(=O)Nc1cc(F)c(F)cc1[N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000825884364 601328786 /nfs/dbraw/zinc/32/87/86/601328786.db2.gz KWGFGSITFSQDME-DAXSKMNVSA-N -2 0 396.371 2.822 20 0 GFADRL COc1ccccc1-n1cc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)cn1 ZINC000484805856 601334549 /nfs/dbraw/zinc/33/45/49/601334549.db2.gz VFANTGKGFAFXHS-UHFFFAOYSA-N -2 0 387.417 2.688 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccnn1-c1ccccc1C ZINC000832208663 601361606 /nfs/dbraw/zinc/36/16/06/601361606.db2.gz LTUTVWTUUUWCMX-UHFFFAOYSA-N -2 0 387.417 2.688 20 0 GFADRL O=C([O-])c1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc(NC(=O)C2CC2)cc1 ZINC000833344757 601384626 /nfs/dbraw/zinc/38/46/26/601384626.db2.gz IQZGPLYXZPUYES-UHFFFAOYSA-N -2 0 395.824 2.583 20 0 GFADRL Cn1cc(S(=O)(=O)[N-]c2cc(C3CC3)nn2-c2ccccc2)cc1C(=O)[O-] ZINC000833055508 601402888 /nfs/dbraw/zinc/40/28/88/601402888.db2.gz KIJLZFOSXYSTNN-UHFFFAOYSA-N -2 0 386.433 2.587 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2cnc(Br)cc2C)cc1C(=O)[O-] ZINC000832858409 601576667 /nfs/dbraw/zinc/57/66/67/601576667.db2.gz HMMDQXSUXKXTJR-UHFFFAOYSA-N -2 0 375.200 2.553 20 0 GFADRL Cc1cccc(S(=O)(=O)[N-]c2cnc(Br)cc2C)c1C(=O)[O-] ZINC000832858305 601576686 /nfs/dbraw/zinc/57/66/86/601576686.db2.gz BHMIWOXNPYZAFW-UHFFFAOYSA-N -2 0 385.239 2.960 20 0 GFADRL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1nc(CCCC(=O)[O-])cs1 ZINC000327143297 601771025 /nfs/dbraw/zinc/77/10/25/601771025.db2.gz MTLVRDHESDZRBS-UHFFFAOYSA-N -2 0 385.423 2.568 20 0 GFADRL COc1cc(F)c(S(=O)(=O)[N-]c2nc(CCCC(=O)[O-])cs2)c(F)c1 ZINC000832010647 601771464 /nfs/dbraw/zinc/77/14/64/601771464.db2.gz KRWFXCSUNOWOTB-UHFFFAOYSA-N -2 0 392.405 2.638 20 0 GFADRL CN1CCc2ccc(S(=O)(=O)[N-]c3nc(C(C)(C)C)c(C(=O)[O-])s3)cc21 ZINC000830968503 601794868 /nfs/dbraw/zinc/79/48/68/601794868.db2.gz FLQZEOTWBYZMGE-UHFFFAOYSA-N -2 0 395.506 2.932 20 0 GFADRL COCCc1nc2cc([N-]S(=O)(=O)c3csc(C(=O)[O-])c3)ccc2o1 ZINC000831795605 601795223 /nfs/dbraw/zinc/79/52/23/601795223.db2.gz AKIOGBHBTNOVCK-UHFFFAOYSA-N -2 0 382.419 2.577 20 0 GFADRL O=C([O-])CCCc1csc(NC(=O)c2ccc3c(=O)[nH]c(=S)[n-]c3c2)n1 ZINC000833229342 601802145 /nfs/dbraw/zinc/80/21/45/601802145.db2.gz CBGHMTTUPFNNML-UHFFFAOYSA-N -2 0 390.446 2.740 20 0 GFADRL Cc1nc(C)c(S(=O)(=O)[N-]c2nc3nc(C)cc(C(=O)[O-])c3s2)s1 ZINC000832866844 601847923 /nfs/dbraw/zinc/84/79/23/601847923.db2.gz GFIQNCNXVMSFKH-UHFFFAOYSA-N -2 0 384.464 2.572 20 0 GFADRL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1cnn(Cc2ccccc2)c1 ZINC000833294641 601860354 /nfs/dbraw/zinc/86/03/54/601860354.db2.gz SJUHOFCBUGQHGK-UHFFFAOYSA-N -2 0 375.381 2.570 20 0 GFADRL CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C(=O)OC)c2)n[nH]1 ZINC000829216254 601861696 /nfs/dbraw/zinc/86/16/96/601861696.db2.gz LQOBJLPOLFGYPK-SNVBAGLBSA-N -2 0 395.437 2.599 20 0 GFADRL COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000466257155 601862408 /nfs/dbraw/zinc/86/24/08/601862408.db2.gz PFSWCGKKEVVNKB-UHFFFAOYSA-N -2 0 395.408 2.775 20 0 GFADRL COC(=O)c1cc(Cl)cc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])c1 ZINC000831252032 601863104 /nfs/dbraw/zinc/86/31/04/601863104.db2.gz ONXYXONBKYVXCA-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cc(-c3cc(F)cc(F)c3)[nH]n2)c1 ZINC000833334441 601929661 /nfs/dbraw/zinc/92/96/61/601929661.db2.gz NWSDPSFFHCOTRJ-UHFFFAOYSA-N -2 0 379.344 2.854 20 0 GFADRL Cc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cc(C(=O)[O-])c1F ZINC000763282073 601985758 /nfs/dbraw/zinc/98/57/58/601985758.db2.gz DGOORGCLCGGWFQ-UHFFFAOYSA-N -2 0 387.772 2.985 20 0 GFADRL CCc1cc(Br)ccc1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000830214065 601987447 /nfs/dbraw/zinc/98/74/47/601987447.db2.gz URNHIBUZCSZNEL-UHFFFAOYSA-N -2 0 391.268 2.967 20 0 GFADRL O=C([O-])CCCc1nnc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)s1 ZINC000833232457 602105519 /nfs/dbraw/zinc/10/55/19/602105519.db2.gz UWGHKDMRLDVYNE-UHFFFAOYSA-N -2 0 395.384 2.765 20 0 GFADRL COC(=O)c1csc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c1 ZINC000760365318 602117002 /nfs/dbraw/zinc/11/70/02/602117002.db2.gz TZOPHJLIKZAKBF-UHFFFAOYSA-N -2 0 393.801 2.826 20 0 GFADRL C[C@H](Oc1ccc(/C=C/c2nc3ccccc3c(=O)n2CC(=O)[O-])cc1)C(=O)[O-] ZINC000827884310 602149053 /nfs/dbraw/zinc/14/90/53/602149053.db2.gz BMYDADDDWWUJBY-YKWSONSWSA-N -2 0 394.383 2.503 20 0 GFADRL Cc1cc(Br)c(S(=O)(=O)[N-]c2csnc2C(=O)[O-])s1 ZINC000832858266 602155897 /nfs/dbraw/zinc/15/58/97/602155897.db2.gz GPBVCIIVPMNHRA-UHFFFAOYSA-N -2 0 383.270 2.775 20 0 GFADRL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(Br)nc2)c1 ZINC000833297757 602157878 /nfs/dbraw/zinc/15/78/78/602157878.db2.gz UMWPDXPRVHMAFP-UHFFFAOYSA-N -2 0 391.630 2.997 20 0 GFADRL Cc1ccnc(-n2nccc2[N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC000832983463 602159424 /nfs/dbraw/zinc/15/94/24/602159424.db2.gz YJGARNQRLSSQHS-UHFFFAOYSA-N -2 0 392.824 2.728 20 0 GFADRL Cc1ccnc(-n2nccc2[N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])c1 ZINC000832983091 602159483 /nfs/dbraw/zinc/15/94/83/602159483.db2.gz HOQYRFRCGCJRNT-UHFFFAOYSA-N -2 0 392.824 2.728 20 0 GFADRL CC(C)Oc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)CC(=O)[O-])c2ccccc12 ZINC000827058584 602190399 /nfs/dbraw/zinc/19/03/99/602190399.db2.gz LAIPUAFBIHUHRK-LBPRGKRZSA-N -2 0 379.434 2.543 20 0 GFADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3c(c2)CCN3C(=O)[O-])c1 ZINC000740715240 602246683 /nfs/dbraw/zinc/24/66/83/602246683.db2.gz BMBAAAALBDNYCB-UHFFFAOYSA-N -3 0 396.808 2.880 20 0 GFADRL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1ccc2c(c1)CCCN2C(=O)[O-] ZINC000740247081 602646388 /nfs/dbraw/zinc/64/63/88/602646388.db2.gz UXBGJXSIRHDXTL-UHFFFAOYSA-N -2 0 384.845 2.613 20 0 GFADRL Cc1noc2ncc(S(=O)(=O)[N-]c3ccc4c(c3)CCCN4C(=O)[O-])cc12 ZINC000740267216 602646574 /nfs/dbraw/zinc/64/65/74/602646574.db2.gz OFQWGSGKEDKPLF-UHFFFAOYSA-N -2 0 388.405 2.763 20 0 GFADRL O=C([O-])N[C@H](CCC(=O)[N-]S(=O)(=O)CC1CCCCC1)c1ccccc1 ZINC000740538451 602671432 /nfs/dbraw/zinc/67/14/32/602671432.db2.gz DPRUSWOXPQENLO-MRXNPFEDSA-N -2 0 382.482 2.802 20 0 GFADRL C[C@H](C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823712143 602822396 /nfs/dbraw/zinc/82/23/96/602822396.db2.gz GRFYSWXBMAUUGK-NHYWBVRUSA-N -2 0 382.376 2.613 20 0 GFADRL C[C@@H](C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823712142 602822407 /nfs/dbraw/zinc/82/24/07/602822407.db2.gz GRFYSWXBMAUUGK-IAQYHMDHSA-N -2 0 382.376 2.613 20 0 GFADRL O=C([O-])NCc1cccc([N-]S(=O)(=O)c2cnn(-c3ccccc3F)c2)c1 ZINC000832729920 603242295 /nfs/dbraw/zinc/24/22/95/603242295.db2.gz KUYBPYUKFWROGC-UHFFFAOYSA-N -2 0 390.396 2.580 20 0 GFADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000830234270 603404129 /nfs/dbraw/zinc/40/41/29/603404129.db2.gz PUKXKHYNPYSIFE-NSHDSACASA-N -2 0 378.406 2.823 20 0 GFADRL Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)[C@H](C)[C@@H](NC(=O)[O-])c2ccccc2)c1 ZINC000830275178 604208778 /nfs/dbraw/zinc/20/87/78/604208778.db2.gz QFURWZXGCFBZOC-RHSMWYFYSA-N -2 0 390.461 2.753 20 0 GFADRL COc1ccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2C)cc1NC(=O)[O-] ZINC000829483394 604312880 /nfs/dbraw/zinc/31/28/80/604312880.db2.gz HALJJOBJQHTING-UHFFFAOYSA-N -2 0 380.378 2.593 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@H](C)[C@@H]2CCCN(C(=O)[O-])C2)cc1C ZINC000830414852 604394543 /nfs/dbraw/zinc/39/45/43/604394543.db2.gz NUCHECFTEARDOP-LSDHHAIUSA-N -2 0 382.482 2.525 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)Nc2ccc(F)cc2C(=O)[O-])cc(Cl)c1F ZINC000767736625 604631705 /nfs/dbraw/zinc/63/17/05/604631705.db2.gz LMRMOBVHNVHOEX-UHFFFAOYSA-N -2 0 391.735 2.815 20 0 GFADRL CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2cccc(NC(=O)[O-])c2)c1C ZINC000829869980 604767554 /nfs/dbraw/zinc/76/75/54/604767554.db2.gz ZDDMLVWCRCFIDX-UHFFFAOYSA-N -2 0 381.410 2.699 20 0 GFADRL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2ccn(CC(F)(F)F)n2)c1 ZINC000833297134 604793741 /nfs/dbraw/zinc/79/37/41/604793741.db2.gz JEHSDZKHZPNKCB-UHFFFAOYSA-N -2 0 383.735 2.598 20 0 GFADRL O=C([O-])COc1ccc([N-]S(=O)(=O)c2cccc(F)c2F)cc1Cl ZINC000833259463 604810466 /nfs/dbraw/zinc/81/04/66/604810466.db2.gz PTPQLRUCMSLIOM-UHFFFAOYSA-N -2 0 377.752 2.882 20 0 GFADRL Cc1cnn(-c2ccc(C)cc2[N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1 ZINC000152687040 605009666 /nfs/dbraw/zinc/00/96/66/605009666.db2.gz UPISWQNJZIRMHY-UHFFFAOYSA-N -2 0 385.445 2.917 20 0 GFADRL COc1ccc(/C=C/C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000833732004 605119588 /nfs/dbraw/zinc/11/95/88/605119588.db2.gz GTCXINMXUIGSIC-RUDMXATFSA-N -2 0 395.820 2.565 20 0 GFADRL CC(C)OC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)c1 ZINC000833502582 605183124 /nfs/dbraw/zinc/18/31/24/605183124.db2.gz PFHWSTGYBJTONP-UHFFFAOYSA-N -2 0 387.797 2.997 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2csnc2C(=O)[O-])nn1-c1ccccc1Cl ZINC000833747365 605202848 /nfs/dbraw/zinc/20/28/48/605202848.db2.gz WUGPQVODYDNDKR-UHFFFAOYSA-N -2 0 398.853 2.790 20 0 GFADRL C[C@@]1([N-]S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)CCCC[C@@H]1C(=O)[O-] ZINC000833570865 605246802 /nfs/dbraw/zinc/24/68/02/605246802.db2.gz UKOXJNZWYYNSTB-RWBAJPLHSA-N -2 0 387.326 2.694 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)OCCCC(=O)[O-])cc1 ZINC000738294975 605283605 /nfs/dbraw/zinc/28/36/05/605283605.db2.gz GJKOSDABYCFYBB-UHFFFAOYSA-N -2 0 377.418 2.817 20 0 GFADRL O=C([O-])N[C@H]1CCc2ncc(NC(=O)c3ccc4[n-]c(=S)oc4c3)cc2C1 ZINC000834194752 605330727 /nfs/dbraw/zinc/33/07/27/605330727.db2.gz SVAVNSXLKLPPEJ-NSHDSACASA-N -2 0 384.417 2.889 20 0 GFADRL O=C([O-])NCc1nnc(-c2ccc(NC(=O)c3cccc(Cl)c3[O-])cc2)[nH]1 ZINC000834247042 605996638 /nfs/dbraw/zinc/99/66/38/605996638.db2.gz MWEMNSCGJDESEW-UHFFFAOYSA-N -2 0 387.783 2.851 20 0 GFADRL O=C([O-])N[C@H](CCC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])c1ccccc1 ZINC000834137384 606048870 /nfs/dbraw/zinc/04/88/70/606048870.db2.gz LUPXEMFRVKKALY-QZTJIDSGSA-N -2 0 382.416 2.814 20 0 GFADRL Cn1nc([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)cc1C(=O)[O-] ZINC000821089193 660315118 /nfs/dbraw/zinc/31/51/18/660315118.db2.gz FCSKCRBGYVYBGF-UHFFFAOYSA-N -2 0 384.628 2.879 20 0 GFADRL COCCCOc1ccccc1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000057120898 654801188 /nfs/dbraw/zinc/80/11/88/654801188.db2.gz GSXKHJAOZDHPPK-UHFFFAOYSA-N -2 0 385.463 2.971 20 0 GFADRL O=C([O-])c1cc(F)c(F)cc1[N-]S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000728854182 655559378 /nfs/dbraw/zinc/55/93/78/655559378.db2.gz IHVOZRXIWXYQDM-UHFFFAOYSA-N -2 0 387.751 2.765 20 0 GFADRL CN(c1ccccc1C(=O)[O-])S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000738007794 655682962 /nfs/dbraw/zinc/68/29/62/655682962.db2.gz UGNSLSXKDDSBTG-UHFFFAOYSA-N -2 0 387.772 2.701 20 0 GFADRL CC[C@@H]([N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br)C(F)F ZINC000840890246 661199465 /nfs/dbraw/zinc/19/94/65/661199465.db2.gz KHDSNQGMYMCLPF-RXMQYKEDSA-N -2 0 378.216 2.531 20 0 GFADRL Cc1noc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1Br ZINC000762472388 656043340 /nfs/dbraw/zinc/04/33/40/656043340.db2.gz QWWOKSBCUOIKDU-UHFFFAOYSA-N -2 0 389.227 2.861 20 0 GFADRL COC(=O)c1csc([N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)c1C ZINC000776282439 656726445 /nfs/dbraw/zinc/72/64/45/656726445.db2.gz UYPUSVIPZAMCCM-UHFFFAOYSA-N -2 0 391.373 2.620 20 0 GFADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c1O ZINC000776459806 656743701 /nfs/dbraw/zinc/74/37/01/656743701.db2.gz BLZDLYHWFAXCMN-UHFFFAOYSA-N -2 0 383.250 2.587 20 0 GFADRL Cn1ncc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c1C(F)(F)F ZINC000780426157 657005340 /nfs/dbraw/zinc/00/53/40/657005340.db2.gz QVBHMZSZBJWUCN-UHFFFAOYSA-N -2 0 383.735 2.591 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)c(Cl)c2F)c(O)c1 ZINC000785491400 657369620 /nfs/dbraw/zinc/36/96/20/657369620.db2.gz VXDLHMGRUJKXKV-UHFFFAOYSA-N -2 0 393.751 2.831 20 0 GFADRL Cc1onc(OC(F)F)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC000788130536 657654412 /nfs/dbraw/zinc/65/44/12/657654412.db2.gz GZSMIGWNGFIIKD-UHFFFAOYSA-N -2 0 380.300 2.531 20 0 GFADRL COc1nc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3F)cc2s1 ZINC000788139101 657656937 /nfs/dbraw/zinc/65/69/37/657656937.db2.gz HWSJARUPTSWPGG-UHFFFAOYSA-N -2 0 382.394 2.943 20 0 GFADRL C[C@H]1CCN(C(=O)c2ccc([O-])c(Cl)c2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000807802159 659865844 /nfs/dbraw/zinc/86/58/44/659865844.db2.gz DEOOJCGFSBGYTH-RVBZMBCESA-N -2 0 378.778 2.963 20 0 GFADRL O=C([N-]n1c(=O)[n-][nH]c1=O)c1cccnc1Oc1ccc(Cl)cc1Cl ZINC000816730786 660167525 /nfs/dbraw/zinc/16/75/25/660167525.db2.gz PFTKZEWFSNRAAZ-UHFFFAOYSA-N -2 0 382.163 2.567 20 0 GFADRL O=C([O-])[C@@H](NC(=O)c1cc(Br)c([O-])c(Br)c1)C1CC1 ZINC000909041236 664142313 /nfs/dbraw/zinc/14/23/13/664142313.db2.gz YDKYUUAJRNOGFP-VIFPVBQESA-N -2 0 393.031 2.510 20 0 GFADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2ccc(C3SCCS3)cc2)C1 ZINC000910186225 664198269 /nfs/dbraw/zinc/19/82/69/664198269.db2.gz ONOAFYMEZQLPRO-STQMWFEESA-N -2 0 381.475 2.555 20 0 GFADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Br)c(F)c1 ZINC000115869775 551210419 /nfs/dbraw/zinc/21/04/19/551210419.db2.gz GEIFCBHPVYIDHZ-UHFFFAOYSA-N -2 0 378.175 2.989 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2ccn(CC(F)(F)F)n2)cc(C(=O)[O-])c1C ZINC000160261417 551578345 /nfs/dbraw/zinc/57/83/45/551578345.db2.gz UEHIXPFCXQKKRE-UHFFFAOYSA-N -2 0 377.344 2.561 20 0 GFADRL CC(C)c1nc(S(=O)(=O)[N-]c2ccc(Br)c(C(=O)[O-])c2)c[nH]1 ZINC000161712089 551597915 /nfs/dbraw/zinc/59/79/15/551597915.db2.gz HCCUIGIHGLARCP-UHFFFAOYSA-N -2 0 388.243 2.795 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc3c2OCCC3=O)cc1Cl ZINC000371603020 563282299 /nfs/dbraw/zinc/28/22/99/563282299.db2.gz VXNMNSMOEWMKLX-UHFFFAOYSA-N -2 0 381.793 2.804 20 0 GFADRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)C[C@H](CC(C)C)OC ZINC000421161149 563299253 /nfs/dbraw/zinc/29/92/53/563299253.db2.gz ZTSWKBZSKYKJJN-JTQLQIEISA-N -2 0 379.862 2.850 20 0 GFADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccn(CCC(F)(F)F)n1 ZINC000424084433 563370244 /nfs/dbraw/zinc/37/02/44/563370244.db2.gz OJKRCAPHGLTODW-UHFFFAOYSA-N -2 0 377.344 2.643 20 0 GFADRL Cc1cc(C)c([N-]S(=O)(=O)c2cncc(Br)c2)c(C(=O)[O-])c1 ZINC000316415194 563441771 /nfs/dbraw/zinc/44/17/71/563441771.db2.gz OQGSEPSMQGRCDI-UHFFFAOYSA-N -2 0 385.239 2.960 20 0 GFADRL O=C([O-])[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000320164866 563446532 /nfs/dbraw/zinc/44/65/32/563446532.db2.gz QNZKFCQXXZJMHA-YFKPBYRVSA-N -2 0 384.134 2.816 20 0 GFADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnc2c(cnn2C(C)C)c1 ZINC000327463852 563458917 /nfs/dbraw/zinc/45/89/17/563458917.db2.gz XGYKANSAZWOJMH-UHFFFAOYSA-N -2 0 380.451 2.881 20 0 GFADRL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(O)c1 ZINC000436775606 563679510 /nfs/dbraw/zinc/67/95/10/563679510.db2.gz FWQUSPHLQMOEKE-UHFFFAOYSA-N -2 0 385.781 2.551 20 0 GFADRL CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000539549568 564222294 /nfs/dbraw/zinc/22/22/94/564222294.db2.gz DHCHLAQTTHSEIG-UHFFFAOYSA-N -2 0 387.772 2.701 20 0 GFADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@@]1(C(=O)[O-])CCC(C)(C)c2ccccc21 ZINC000541929407 564295838 /nfs/dbraw/zinc/29/58/38/564295838.db2.gz UWCAIARZZGEYSE-BMIGLBTASA-N -2 0 379.400 2.908 20 0 GFADRL Cc1cc(S(=O)(=O)N(C)c2cccc(CCC(=O)[O-])c2)sc1C(=O)[O-] ZINC000477298001 564372239 /nfs/dbraw/zinc/37/22/39/564372239.db2.gz JNQYAECAPMGHFI-UHFFFAOYSA-N -2 0 383.447 2.597 20 0 GFADRL COC(=O)c1csc(S(=O)(=O)[N-]c2ccc([C@H](C)CC(=O)[O-])cc2)c1 ZINC000544096553 564374357 /nfs/dbraw/zinc/37/43/57/564374357.db2.gz LLEXRVXKCLNIAS-SNVBAGLBSA-N -2 0 383.447 2.914 20 0 GFADRL O=C([O-])c1c([N-]S(=O)(=O)c2cnc3ccsc3c2)cccc1[N+](=O)[O-] ZINC000547577161 564496652 /nfs/dbraw/zinc/49/66/52/564496652.db2.gz GMUXFXWANLLUAX-UHFFFAOYSA-N -2 0 379.375 2.704 20 0 GFADRL O=C([O-])C[C@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)c1ccccc1F ZINC000547594978 564500165 /nfs/dbraw/zinc/50/01/65/564500165.db2.gz GGBBYPFPEHZOCE-ZDUSSCGKSA-N -2 0 377.315 2.737 20 0 GFADRL COC(=O)c1nscc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C(C)C ZINC000481595755 564516694 /nfs/dbraw/zinc/51/66/94/564516694.db2.gz UKSBMWMIEIOSLJ-UHFFFAOYSA-N -2 0 384.435 2.552 20 0 GFADRL O=C([O-])[C@H](Cc1ccco1)NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000547890932 564516759 /nfs/dbraw/zinc/51/67/59/564516759.db2.gz SIRGTMKJELKCNN-NSHDSACASA-N -2 0 397.758 2.926 20 0 GFADRL Cc1noc(C)c1[N-]S(=O)(=O)c1cc(Br)c(C)c(C(=O)[O-])c1 ZINC000481986726 564530952 /nfs/dbraw/zinc/53/09/52/564530952.db2.gz ZJHUHXQCELEXFW-UHFFFAOYSA-N -2 0 389.227 2.861 20 0 GFADRL COc1cc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c(Cl)cc1C(=O)[O-] ZINC000485301362 564611901 /nfs/dbraw/zinc/61/19/01/564611901.db2.gz VAHSHXDIYWUTRB-UHFFFAOYSA-N -2 0 385.781 2.576 20 0 GFADRL CCOC[C@@H](C)CS(=O)(=O)[N-][C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000572998765 564619228 /nfs/dbraw/zinc/61/92/28/564619228.db2.gz QABMGIYDCFICGF-ZWNOBZJWSA-N -2 0 383.388 2.580 20 0 GFADRL O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)c1cccc(Br)c1[O-] ZINC000526956244 564723688 /nfs/dbraw/zinc/72/36/88/564723688.db2.gz AQQOBIXOGTXVAI-UHFFFAOYSA-N -2 0 376.166 2.750 20 0 GFADRL O=C([O-])c1cc([N-]S(=O)(=O)c2c(F)cccc2Cl)cc2c1OCCO2 ZINC000463778987 564890029 /nfs/dbraw/zinc/89/00/29/564890029.db2.gz DWCJRHVPXTZXOY-UHFFFAOYSA-N -2 0 387.772 2.749 20 0 GFADRL COC(=O)c1csc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000501796868 564986144 /nfs/dbraw/zinc/98/61/44/564986144.db2.gz KQJGDPIQLBAPQA-UHFFFAOYSA-N -2 0 375.811 2.687 20 0 GFADRL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(F)(F)F)[nH]n1 ZINC000534793980 564996493 /nfs/dbraw/zinc/99/64/93/564996493.db2.gz FSSLKQKYINWZMJ-UHFFFAOYSA-N -2 0 383.735 2.889 20 0 GFADRL Cn1cc(Nc2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)c2)cn1 ZINC000469951684 565032574 /nfs/dbraw/zinc/03/25/74/565032574.db2.gz ZBGJWMVJOZWQOB-UHFFFAOYSA-N -2 0 378.435 2.724 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Sc3nncs3)cc2)c[nH]1 ZINC000625080147 565596235 /nfs/dbraw/zinc/59/62/35/565596235.db2.gz NTAIJUILMRWSFO-UHFFFAOYSA-N -2 0 382.448 2.516 20 0 GFADRL CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-]c1ccc(F)c(F)c1[O-] ZINC000629301036 565839175 /nfs/dbraw/zinc/83/91/75/565839175.db2.gz XGZNRNKRHXAIDU-LBPRGKRZSA-N -2 0 375.368 2.809 20 0 GFADRL C[C@H]1CC(=O)N(C)c2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)cc21 ZINC000629332349 565844758 /nfs/dbraw/zinc/84/47/58/565844758.db2.gz HPOBCBJATMOFJS-VIFPVBQESA-N -2 0 380.447 2.717 20 0 GFADRL O=C([O-])CNC(=O)c1cc2ccccc2cc1[N-]S(=O)(=O)c1cccs1 ZINC000740484834 597021027 /nfs/dbraw/zinc/02/10/27/597021027.db2.gz PAZINTMDRMQOLU-UHFFFAOYSA-N -2 0 390.442 2.517 20 0 GFADRL O=C([O-])CSCCC(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000739854596 599753723 /nfs/dbraw/zinc/75/37/23/599753723.db2.gz YSPSAKQJKUJKOA-UHFFFAOYSA-N -2 0 394.474 2.634 20 0 GFADRL C[C@]1(C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])CCCc2ccccc21 ZINC000736729114 599797258 /nfs/dbraw/zinc/79/72/58/599797258.db2.gz VXLMQDMNYQOTGN-KRWDZBQOSA-N -2 0 379.459 2.545 20 0 GFADRL CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])cc1 ZINC000057819613 599850179 /nfs/dbraw/zinc/85/01/79/599850179.db2.gz QXMINRNCDBIFGD-UHFFFAOYSA-N -2 0 394.424 2.807 20 0 GFADRL CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)s1 ZINC000736144250 599853270 /nfs/dbraw/zinc/85/32/70/599853270.db2.gz AKVLXIYHFQIILM-NSHDSACASA-N -2 0 396.490 2.763 20 0 GFADRL COC(=O)c1ccc(OC)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000731470195 600006062 /nfs/dbraw/zinc/00/60/62/600006062.db2.gz TVLFPPQROMBKPQ-UHFFFAOYSA-N -2 0 399.808 2.634 20 0 GFADRL COC(=O)c1ccc(OC)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000610863766 600006311 /nfs/dbraw/zinc/00/63/11/600006311.db2.gz LSBCFLXZSHVHPI-UHFFFAOYSA-N -2 0 399.808 2.634 20 0 GFADRL O=C([O-])c1cc(C(F)(F)F)cc(S(=O)(=O)[N-]C(=O)[C@H]2CC=CCC2)c1 ZINC000740074050 600045070 /nfs/dbraw/zinc/04/50/70/600045070.db2.gz FHNSALWYKPTBCR-VIFPVBQESA-N -2 0 377.340 2.565 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)n(-c2ccc(F)cc2)n1 ZINC000738463720 600054348 /nfs/dbraw/zinc/05/43/48/600054348.db2.gz RJTBFRHDGZGTPJ-UHFFFAOYSA-N -2 0 381.410 2.880 20 0 GFADRL COc1ccccc1[C@H](C)CC(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000738120197 600056783 /nfs/dbraw/zinc/05/67/83/600056783.db2.gz KQCNZCMQJXFELD-CYBMUJFWSA-N -2 0 391.445 2.533 20 0 GFADRL CSc1cc2c(cc1[N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-])OCCO2 ZINC000738195449 600097652 /nfs/dbraw/zinc/09/76/52/600097652.db2.gz IWYYJZJQRMJFMC-UHFFFAOYSA-N -2 0 399.421 2.818 20 0 GFADRL COCCOc1ccc(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000066586078 600098987 /nfs/dbraw/zinc/09/89/87/600098987.db2.gz PXGXXBCQHMGZAD-UHFFFAOYSA-N -2 0 383.397 2.658 20 0 GFADRL Cc1cc(C(=O)[O-])c2sc([N-]S(=O)(=O)c3ccc4c(c3)CCC4)nc2n1 ZINC000738344599 600102355 /nfs/dbraw/zinc/10/23/55/600102355.db2.gz CHQCRBLGXBDUMQ-UHFFFAOYSA-N -2 0 389.458 2.987 20 0 GFADRL COc1cccnc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000738142848 600103744 /nfs/dbraw/zinc/10/37/44/600103744.db2.gz NIUZWDZAASQYKK-UHFFFAOYSA-N -2 0 376.312 2.608 20 0 GFADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(Br)n2)c1 ZINC000740134671 600179580 /nfs/dbraw/zinc/17/95/80/600179580.db2.gz IGUCSJBKDQXVEA-UHFFFAOYSA-N -2 0 391.630 2.997 20 0 GFADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(Br)cc2Cl)c1C(=O)[O-] ZINC000738829106 600230980 /nfs/dbraw/zinc/23/09/80/600230980.db2.gz KBUHONPACZIPDI-UHFFFAOYSA-N -2 0 394.634 2.633 20 0 GFADRL Cc1nc(-c2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(F)cc3F)c2)no1 ZINC000738831396 600234235 /nfs/dbraw/zinc/23/42/35/600234235.db2.gz CLESSCMYYUTTPL-UHFFFAOYSA-N -2 0 395.343 2.822 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)c(F)cc1F ZINC000732047506 600234840 /nfs/dbraw/zinc/23/48/40/600234840.db2.gz QPDRACDCMLTRSH-UHFFFAOYSA-N -2 0 385.344 2.559 20 0 GFADRL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]c2cc(C)[nH]c2C(=O)[O-])cc1Cl ZINC000736157587 600255383 /nfs/dbraw/zinc/25/53/83/600255383.db2.gz JVYMKDDWPLCYIK-UHFFFAOYSA-N -2 0 389.792 2.573 20 0 GFADRL C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3F)cc2)CCO1 ZINC000736822961 600256201 /nfs/dbraw/zinc/25/62/01/600256201.db2.gz FYLMEKJNLUKHJL-GFCCVEGCSA-N -2 0 394.424 2.550 20 0 GFADRL COc1cc(F)c(S(=O)(=O)[N-]c2ccc(CN(C)C(=O)[O-])cc2)c(F)c1 ZINC000737890199 600300297 /nfs/dbraw/zinc/30/02/97/600300297.db2.gz SZBROVNWMIGBDQ-UHFFFAOYSA-N -2 0 386.376 2.884 20 0 GFADRL C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3nc(CC(=O)[O-])cs3)cc(Cl)c2O1 ZINC000736825381 600360705 /nfs/dbraw/zinc/36/07/05/600360705.db2.gz KUEIAZQEWWLSTD-SSDOTTSWSA-N -2 0 388.854 2.548 20 0 GFADRL CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1O ZINC000436828460 600391614 /nfs/dbraw/zinc/39/16/14/600391614.db2.gz YISNAEJQYZJASS-UHFFFAOYSA-N -3 0 379.390 2.713 20 0 GFADRL C[C@@H](CC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000736549560 600511086 /nfs/dbraw/zinc/51/10/86/600511086.db2.gz WZFAFGFCJZYJSU-JTQLQIEISA-N -2 0 381.372 2.510 20 0 GFADRL O=C([O-])c1ccncc1[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000740248502 600516460 /nfs/dbraw/zinc/51/64/60/600516460.db2.gz BFEFYKHKXHRNBL-UHFFFAOYSA-N -2 0 391.630 2.997 20 0 GFADRL CCc1nnc(-c2ccc([N-]S(=O)(=O)c3cc(F)ccc3C(=O)[O-])cc2)o1 ZINC000830328242 600690723 /nfs/dbraw/zinc/69/07/23/600690723.db2.gz NQYPTBLAIPHXEK-UHFFFAOYSA-N -2 0 391.380 2.937 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2-n2cncn2)cc1C(=O)[O-] ZINC000013183355 600808460 /nfs/dbraw/zinc/80/84/60/600808460.db2.gz VGDQGAYPQCMBFR-UHFFFAOYSA-N -2 0 392.824 2.728 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cn2)cc1C(=O)[O-] ZINC000832955788 600829532 /nfs/dbraw/zinc/82/95/32/600829532.db2.gz GRDNWHWBJAYGCR-UHFFFAOYSA-N -2 0 375.450 2.879 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc(-n2ccnc2)c(F)c1 ZINC000831946822 601201074 /nfs/dbraw/zinc/20/10/74/601201074.db2.gz YZMPCTXVEYMFSX-UHFFFAOYSA-N -2 0 397.409 2.581 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccn(Cc2ccccc2)n1 ZINC000831949972 601202994 /nfs/dbraw/zinc/20/29/94/601202994.db2.gz JNGHZGXCVCHZTE-UHFFFAOYSA-N -2 0 393.446 2.501 20 0 GFADRL Cc1oc(S(=O)(=O)N[C@H](c2ccc(F)cc2)[C@H]2CCCO2)cc1C(=O)[O-] ZINC000580548307 601217479 /nfs/dbraw/zinc/21/74/79/601217479.db2.gz NPDIZHMEKBHQGX-GDBMZVCRSA-N -2 0 383.397 2.624 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2ccc(C(=O)NC(C)C)cc2C)cc1C(=O)[O-] ZINC000832863822 601233055 /nfs/dbraw/zinc/23/30/55/601233055.db2.gz WCNGOEWTMWMIAV-UHFFFAOYSA-N -2 0 380.422 2.534 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2ccc3[nH]c([C@@H]4CCCO4)nc3c2)cc1C(=O)[O-] ZINC000833030358 601233276 /nfs/dbraw/zinc/23/32/76/601233276.db2.gz UDULEWCIWRTNQE-AWEZNQCLSA-N -2 0 391.405 2.815 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)cc1Br ZINC000832413362 601233562 /nfs/dbraw/zinc/23/35/62/601233562.db2.gz SFYHQDCIJIWKEY-UHFFFAOYSA-N -2 0 390.211 2.858 20 0 GFADRL COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc(C)c2O)c1OC ZINC000831972181 601241218 /nfs/dbraw/zinc/24/12/18/601241218.db2.gz FDLCIGKZAUKHDV-BQYQJAHWSA-N -2 0 393.417 2.616 20 0 GFADRL Cc1cc(C(=O)NCCCCCC(=O)[O-])ccc1[N-]S(=O)(=O)C(F)(F)F ZINC000268964831 601272576 /nfs/dbraw/zinc/27/25/76/601272576.db2.gz CIBOSIWQFVKWLK-UHFFFAOYSA-N -2 0 396.387 2.631 20 0 GFADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])n1 ZINC000832888983 601279943 /nfs/dbraw/zinc/27/99/43/601279943.db2.gz AKZRCXVWLWCGRR-QGZVFWFLSA-N -2 0 395.390 2.677 20 0 GFADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)n1 ZINC000832889010 601286924 /nfs/dbraw/zinc/28/69/24/601286924.db2.gz AZSVTGJVQOVRET-CQSZACIVSA-N -2 0 381.363 2.854 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(OC)c(OC)cc1C ZINC000013359695 601318866 /nfs/dbraw/zinc/31/88/66/601318866.db2.gz ULBMYLJJLQZBME-UHFFFAOYSA-N -2 0 381.406 2.520 20 0 GFADRL CC(C)(C(=O)[O-])c1ccc(NS(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)cc1 ZINC000826127446 601333090 /nfs/dbraw/zinc/33/30/90/601333090.db2.gz VEDSZUDLFGIQPQ-LFYBBSHMSA-N -2 0 389.429 2.947 20 0 GFADRL COC(=O)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)ccc1C ZINC000831326798 601334444 /nfs/dbraw/zinc/33/44/44/601334444.db2.gz AIBRVQGSWWOUSD-UHFFFAOYSA-N -2 0 385.344 2.559 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)n(-c2ccccn2)n1 ZINC000550403751 601358528 /nfs/dbraw/zinc/35/85/28/601358528.db2.gz DMHIXROBAMBDGQ-UHFFFAOYSA-N -2 0 386.433 2.692 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccnn2Cc2ccccc2)ccc1F ZINC000833306201 601359609 /nfs/dbraw/zinc/35/96/09/601359609.db2.gz DLWWLMQBFSBFGL-UHFFFAOYSA-N -2 0 375.381 2.570 20 0 GFADRL Cc1noc2ncc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(F)cc3Cl)cc12 ZINC000743265363 601484821 /nfs/dbraw/zinc/48/48/21/601484821.db2.gz WHKBGBFUKDMYLO-UHFFFAOYSA-N -2 0 385.760 2.823 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnn(-c3ccccc3F)c2)cc(F)c1F ZINC000755982473 601491846 /nfs/dbraw/zinc/49/18/46/601491846.db2.gz BIQYCGZSCFTYTQ-UHFFFAOYSA-N -2 0 397.334 2.789 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2nnc(Cc3ccccc3)s2)cc1 ZINC000833324659 601502794 /nfs/dbraw/zinc/50/27/94/601502794.db2.gz YEJBYHXERXPLPX-UHFFFAOYSA-N -2 0 375.431 2.628 20 0 GFADRL Cc1ccc(-c2cc([N-]S(=O)(=O)c3ccc(OCC(=O)[O-])cc3)n[nH]2)s1 ZINC000444417211 601605116 /nfs/dbraw/zinc/60/51/16/601605116.db2.gz DMVRJPSYIDXSHV-UHFFFAOYSA-N -2 0 393.446 2.711 20 0 GFADRL O=C([O-])[C@@H](NC(=O)CSc1n[n-]c(=S)s1)c1ccc(Cl)cc1 ZINC000833116335 601698943 /nfs/dbraw/zinc/69/89/43/601698943.db2.gz QRGNULAPUCHSRQ-VIFPVBQESA-N -2 0 375.884 2.514 20 0 GFADRL CN(C)c1ccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])c(C(F)(F)F)c1 ZINC000830639776 601768922 /nfs/dbraw/zinc/76/89/22/601768922.db2.gz PMCTUWYDNZQRAP-UHFFFAOYSA-N -2 0 395.384 2.727 20 0 GFADRL C[C@H]1Cc2cc(S(=O)(=O)[N-]c3nc(CCCC(=O)[O-])cs3)ccc2O1 ZINC000828516777 601772056 /nfs/dbraw/zinc/77/20/56/601772056.db2.gz QUSKLQLMEZXUAX-JTQLQIEISA-N -2 0 382.463 2.675 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2-n2ccnn2)c(Cl)cc1F ZINC000746351643 601835345 /nfs/dbraw/zinc/83/53/45/601835345.db2.gz VSJRWIYSIAOIKB-UHFFFAOYSA-N -2 0 396.787 2.559 20 0 GFADRL Cn1c([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)nc2cc(F)ccc21 ZINC000833039659 601843798 /nfs/dbraw/zinc/84/37/98/601843798.db2.gz PXFFOQPYVMOIQX-UHFFFAOYSA-N -2 0 383.788 2.865 20 0 GFADRL Cc1nc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])ccc1Br ZINC000833003895 601847950 /nfs/dbraw/zinc/84/79/50/601847950.db2.gz ZSUPRHMYKAECAV-UHFFFAOYSA-N -2 0 389.202 2.791 20 0 GFADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccccc1O[C@@H]1CCOC1 ZINC000268364019 601853646 /nfs/dbraw/zinc/85/36/46/601853646.db2.gz XOKQCYDYIIXDQA-CQSZACIVSA-N -2 0 377.418 2.662 20 0 GFADRL CCc1nnc(-c2ccc([N-]S(=O)(=O)c3cccc(F)c3C(=O)[O-])cc2)o1 ZINC000830327240 601862885 /nfs/dbraw/zinc/86/28/85/601862885.db2.gz BUZPZZYEYSSFQS-UHFFFAOYSA-N -2 0 391.380 2.937 20 0 GFADRL CCC[C@@H](NC(=O)[O-])C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000739325914 601936029 /nfs/dbraw/zinc/93/60/29/601936029.db2.gz LHZLPOFLIJLRJL-MRXNPFEDSA-N -2 0 391.449 2.862 20 0 GFADRL Cc1cc(C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])c(Cl)cc1F ZINC000832864677 601971859 /nfs/dbraw/zinc/97/18/59/601971859.db2.gz BJSZFINKEAUYQV-UHFFFAOYSA-N -2 0 377.802 2.666 20 0 GFADRL O=C([O-])N1CCc2nc([N-]S(=O)(=O)c3cccc(Cl)c3F)sc2C1 ZINC000740529092 601977177 /nfs/dbraw/zinc/97/71/77/601977177.db2.gz DOGSBKDWZYDDGF-UHFFFAOYSA-N -2 0 391.833 2.773 20 0 GFADRL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)cc(Cl)c1 ZINC000831470305 601986283 /nfs/dbraw/zinc/98/62/83/601986283.db2.gz HFJWQFDJNPJLKE-UHFFFAOYSA-N -2 0 393.801 2.826 20 0 GFADRL COC(=O)Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC000763299851 601987556 /nfs/dbraw/zinc/98/75/56/601987556.db2.gz OUEQSRGBMBYMFK-UHFFFAOYSA-N -2 0 383.809 2.555 20 0 GFADRL CCCCN1CCc2ccc([N-]S(=O)(=O)c3csnc3C(=O)[O-])cc21 ZINC000829396329 602106316 /nfs/dbraw/zinc/10/63/16/602106316.db2.gz MBZRHTYCWXZJEU-UHFFFAOYSA-N -2 0 381.479 2.805 20 0 GFADRL O=C([O-])CCCc1nnc([N-]S(=O)(=O)c2ccc(F)cc2Cl)s1 ZINC000833232134 602107496 /nfs/dbraw/zinc/10/74/96/602107496.db2.gz LTFFTTCWEFUEKD-UHFFFAOYSA-N -2 0 379.822 2.539 20 0 GFADRL COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1csnc1C(=O)[O-] ZINC000831480223 602155689 /nfs/dbraw/zinc/15/56/89/602155689.db2.gz ZPCFORGDZGNJQH-UHFFFAOYSA-N -2 0 398.443 2.643 20 0 GFADRL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1nnc(-c2ccccc2)s1 ZINC000833295009 602306576 /nfs/dbraw/zinc/30/65/76/602306576.db2.gz VVSGJOLFSMGRTH-UHFFFAOYSA-N -2 0 379.394 2.843 20 0 GFADRL C[C@@H](C(=O)[O-])[C@H](NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-])c1ccccc1 ZINC000826044054 602323442 /nfs/dbraw/zinc/32/34/42/602323442.db2.gz BHRJJFCCIKXWEV-PXAZEXFGSA-N -2 0 383.379 2.909 20 0 GFADRL CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])cc2)s1 ZINC000738534750 602644713 /nfs/dbraw/zinc/64/47/13/602644713.db2.gz FTGXFAFVWWMXCA-SECBINFHSA-N -2 0 383.451 2.836 20 0 GFADRL COc1ccc(NC(=O)[O-])c([N-]S(=O)(=O)c2ccc(C)c(NC(C)=O)c2)c1 ZINC000739924677 602779782 /nfs/dbraw/zinc/77/97/82/602779782.db2.gz VJWCAFUGFIBJBP-UHFFFAOYSA-N -2 0 393.421 2.853 20 0 GFADRL O=C([O-])NC1CCC(NS(=O)(=O)c2ccc(F)cc2C(F)(F)F)CC1 ZINC000740559644 603086041 /nfs/dbraw/zinc/08/60/41/603086041.db2.gz GEZBCLSKJUAGRF-UHFFFAOYSA-N -2 0 384.351 2.702 20 0 GFADRL O=C([O-])N1CCC[C@H]1CNS(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000740520401 603086219 /nfs/dbraw/zinc/08/62/19/603086219.db2.gz KQXOOROVNNUHDM-QMMMGPOBSA-N -2 0 386.779 2.780 20 0 GFADRL O=C([O-])N1CCCN(C(=O)c2cc(Br)cc(Cl)c2[O-])CC1 ZINC000832015588 603544644 /nfs/dbraw/zinc/54/46/44/603544644.db2.gz RPCHXWNLEXINRJ-UHFFFAOYSA-N -2 0 377.622 2.634 20 0 GFADRL O=C([O-])N1CCc2nc([N-]S(=O)(=O)c3ccc4ncccc4c3)sc2C1 ZINC000832091266 603632213 /nfs/dbraw/zinc/63/22/13/603632213.db2.gz CXINRZRHEGZJPU-UHFFFAOYSA-N -2 0 390.446 2.528 20 0 GFADRL C[C@]1(C(=O)[N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)CCN(C(=O)[O-])C1 ZINC000825677488 604188261 /nfs/dbraw/zinc/18/82/61/604188261.db2.gz HEQKKSWOWATIHO-IBGZPJMESA-N -2 0 388.445 2.549 20 0 GFADRL COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)[N-]S(=O)(=O)c1cccs1 ZINC000829188189 604208649 /nfs/dbraw/zinc/20/86/49/604208649.db2.gz RDPGBKJSWNRIBA-UHFFFAOYSA-N -2 0 390.826 2.619 20 0 GFADRL C[C@H](CC(=O)[N-]S(=O)(=O)c1ccccc1Cl)C1CCN(C(=O)[O-])CC1 ZINC000824680335 604384220 /nfs/dbraw/zinc/38/42/20/604384220.db2.gz UKUCJBOMWQMCGI-LLVKDONJSA-N -2 0 388.873 2.561 20 0 GFADRL O=C([O-])c1cccc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(C(F)(F)F)c2)c1 ZINC000431191638 604398756 /nfs/dbraw/zinc/39/87/56/604398756.db2.gz JXPXPVSSSGSREL-UHFFFAOYSA-N -2 0 389.307 2.903 20 0 GFADRL COc1ccc(S(=O)(=O)Nc2ccc(CCCC(=O)[O-])cc2)cc1C(=O)[O-] ZINC000533950788 604746447 /nfs/dbraw/zinc/74/64/47/604746447.db2.gz OXXXXACFTNFXNT-UHFFFAOYSA-N -2 0 393.417 2.602 20 0 GFADRL C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)c2cc(Cl)c3ccccc3c2[O-])CCO1 ZINC000825324957 604773823 /nfs/dbraw/zinc/77/38/23/604773823.db2.gz HMLSLCCXYLTLSY-BMIGLBTASA-N -2 0 378.812 2.696 20 0 GFADRL CCC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc(OC)c2OC)c1 ZINC000484962467 604790547 /nfs/dbraw/zinc/79/05/47/604790547.db2.gz HXMJXJYGIRKOII-UHFFFAOYSA-N -2 0 393.417 2.796 20 0 GFADRL Cc1ccc(-c2n[nH]c([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3F)c2C)o1 ZINC000135405603 604808046 /nfs/dbraw/zinc/80/80/46/604808046.db2.gz IOWOFTHUYVNXQH-UHFFFAOYSA-N -2 0 379.369 2.925 20 0 GFADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)c2ccccc2C(F)(F)F)cc1F ZINC000833148554 604879795 /nfs/dbraw/zinc/87/97/95/604879795.db2.gz MHDCZNFDDMLZAU-UHFFFAOYSA-N -2 0 391.298 2.661 20 0 GFADRL CC(C)[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)[C@H](C)c1ccc(Cl)cc1Cl ZINC000833468249 604991557 /nfs/dbraw/zinc/99/15/57/604991557.db2.gz NTBYTTGRSOUVPG-PELKAZGASA-N -2 0 397.280 2.793 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]C(=O)C[C@H](C)C2CCN(C(=O)[O-])CC2)c(C)s1 ZINC000830132249 605067331 /nfs/dbraw/zinc/06/73/31/605067331.db2.gz GEGPOENUGOYFAQ-JTQLQIEISA-N -2 0 388.511 2.586 20 0 GFADRL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)c1cnn(Cc2ccccc2)c1 ZINC000833741382 605124908 /nfs/dbraw/zinc/12/49/08/605124908.db2.gz KQUZLHGOAXBVGI-UHFFFAOYSA-N -2 0 377.447 2.800 20 0 GFADRL CC(C)CNC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000485291236 605160521 /nfs/dbraw/zinc/16/05/21/605160521.db2.gz KZQZOIOWQJJNKW-UHFFFAOYSA-N -2 0 394.424 2.711 20 0 GFADRL CC(C)c1nnc([N-]S(=O)(=O)c2cccc3c2ccnc3C(=O)[O-])s1 ZINC000833511875 605181801 /nfs/dbraw/zinc/18/18/01/605181801.db2.gz JPVDKSCIXVWOLJ-UHFFFAOYSA-N -2 0 378.435 2.709 20 0 GFADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CC[C@H](NC(=O)[O-])C[C@@H]3C)n2)c1 ZINC000824470322 605359722 /nfs/dbraw/zinc/35/97/22/605359722.db2.gz NZEHNHKHPYRGBJ-ZFWWWQNUSA-N -2 0 386.452 2.962 20 0 GFADRL COc1ccc(Nc2ncccc2[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cc1 ZINC000833733113 605586384 /nfs/dbraw/zinc/58/63/84/605586384.db2.gz GTUFFAXFAMAZNR-UHFFFAOYSA-N -2 0 389.389 2.926 20 0 GFADRL O=C([O-])N[C@@H](CCC(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F)c1ccccc1 ZINC000834137189 606050112 /nfs/dbraw/zinc/05/01/12/606050112.db2.gz JQFFLXRYZAFKMZ-RDJZCZTQSA-N -2 0 392.358 2.996 20 0 GFADRL O=C([O-])N[C@@H]1CCC[C@H]1C(=O)NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000834172618 606062849 /nfs/dbraw/zinc/06/28/49/606062849.db2.gz MXTSHMNKOONHMS-KBAYOESNSA-N -2 0 384.432 2.636 20 0 GFADRL O=C([O-])COc1ccc(NC(=O)[C@@H](NC(=O)[O-])c2ccccc2)cc1Cl ZINC000834064551 606069429 /nfs/dbraw/zinc/06/94/29/606069429.db2.gz BBJVWHOJRQNTEP-HNNXBMFYSA-N -2 0 378.768 2.751 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2ccc(N=S(C)(C)=O)cc2)sc1C(=O)[O-] ZINC000821111421 660316048 /nfs/dbraw/zinc/31/60/48/660316048.db2.gz KOTSWYFXQICJET-UHFFFAOYSA-N -2 0 388.492 2.915 20 0 GFADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CS3)c1 ZINC000013032291 654502775 /nfs/dbraw/zinc/50/27/75/654502775.db2.gz XSTLISQMNQJJRZ-UHFFFAOYSA-N -2 0 398.849 2.883 20 0 GFADRL CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000025766772 654553164 /nfs/dbraw/zinc/55/31/64/654553164.db2.gz UZXNFBJGXGBVIX-UHFFFAOYSA-N -2 0 382.825 2.541 20 0 GFADRL COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2c(C)cccc2C(=O)[O-])c1 ZINC000032596986 654606147 /nfs/dbraw/zinc/60/61/47/654606147.db2.gz APXCZQAVLPUQLW-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL CCN1C(=O)CCc2cc([N-]S(=O)(=O)c3csc(C(=O)[O-])c3)ccc21 ZINC000273447495 655143754 /nfs/dbraw/zinc/14/37/54/655143754.db2.gz COKBICMUWIEMBN-UHFFFAOYSA-N -2 0 380.447 2.546 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnoc2)cc(Br)c1Cl ZINC000228413630 655423075 /nfs/dbraw/zinc/42/30/75/655423075.db2.gz FFTGERRRSDCGAO-UHFFFAOYSA-N -2 0 381.591 2.590 20 0 GFADRL Cc1noc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Br ZINC000738388772 655690647 /nfs/dbraw/zinc/69/06/47/655690647.db2.gz IGAPMIYNLWFEAY-UHFFFAOYSA-N -2 0 375.200 2.553 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc(NC(N)=O)c2)c1Cl ZINC000753769742 655858242 /nfs/dbraw/zinc/85/82/42/655858242.db2.gz JIFRSFXNRGTDKV-UHFFFAOYSA-N -2 0 383.813 2.638 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)[nH]n2)cc(Cl)c1F ZINC000760274091 655974120 /nfs/dbraw/zinc/97/41/20/655974120.db2.gz RWUQYXUFSOUNNF-UHFFFAOYSA-N -2 0 387.698 2.720 20 0 GFADRL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1c(C)ccc(Cl)c1C(=O)[O-] ZINC000762617061 656051604 /nfs/dbraw/zinc/05/16/04/656051604.db2.gz KNZBHKQNPNNIRP-UHFFFAOYSA-N -2 0 378.237 2.843 20 0 GFADRL COC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC000767734579 656217558 /nfs/dbraw/zinc/21/75/58/656217558.db2.gz HYDLMNWILXXGDY-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL CCc1nn(C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000773253907 656406597 /nfs/dbraw/zinc/40/65/97/656406597.db2.gz CCYSQWCYSQAYQI-UHFFFAOYSA-N -2 0 378.237 2.788 20 0 GFADRL O=C([O-])c1cc(F)cc([N-]S(=O)(=O)c2c(Cl)nc3sccn32)c1F ZINC000776562494 656758390 /nfs/dbraw/zinc/75/83/90/656758390.db2.gz XNKYNPPHFHHLMN-UHFFFAOYSA-N -2 0 393.780 2.826 20 0 GFADRL O=C([O-])[C@@H]([N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)c1ccsc1 ZINC000776571866 656760645 /nfs/dbraw/zinc/76/06/45/656760645.db2.gz XVMPFQUMGJSBSN-JTQLQIEISA-N -2 0 387.307 2.548 20 0 GFADRL COc1ncccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)c(Cl)c1F ZINC000779828345 656946606 /nfs/dbraw/zinc/94/66/06/656946606.db2.gz KWFRRSQVQOIBDF-UHFFFAOYSA-N -2 0 378.740 2.521 20 0 GFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2cc(C)cnc2OC)cc1C(=O)[O-] ZINC000790395422 657967892 /nfs/dbraw/zinc/96/78/92/657967892.db2.gz WOLYIILJFUUUNV-UHFFFAOYSA-N -2 0 386.813 2.560 20 0 GFADRL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C)nc1Cl ZINC000800837946 659336161 /nfs/dbraw/zinc/33/61/61/659336161.db2.gz IRLGMEQFLJPYMB-UHFFFAOYSA-N -2 0 384.841 2.870 20 0 GFADRL O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1ccc(F)c(Cl)c1 ZINC000852733735 661872612 /nfs/dbraw/zinc/87/26/12/661872612.db2.gz XRXNJZGSPAHKJL-NEPJUHHUSA-N -2 0 382.741 2.575 20 0 GFADRL O=C([O-])[C@@H](C(=O)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C1CCCC1 ZINC000863951643 662350768 /nfs/dbraw/zinc/35/07/68/662350768.db2.gz OQVHUYBECGGSGZ-GFCCVEGCSA-N -2 0 380.249 2.689 20 0 GFADRL CC1(C)C[C@@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000863955799 662350940 /nfs/dbraw/zinc/35/09/40/662350940.db2.gz YNCFDWLWVYBOEA-ZDUSSCGKSA-N -2 0 399.774 2.665 20 0 GFADRL C[C@@H](C[N-]S(=O)(=O)c1oc2ccccc2c1Br)CC(=O)[O-] ZINC000864431708 662370589 /nfs/dbraw/zinc/37/05/89/662370589.db2.gz SSTAVCUNLSKXHI-MRVPVSSYSA-N -2 0 376.228 2.584 20 0 GFADRL O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)c2oc3ccccc3c2Br)C1 ZINC000864437207 662371460 /nfs/dbraw/zinc/37/14/60/662371460.db2.gz DMGISPCMRDVTGK-BDAKNGLRSA-N -2 0 388.239 2.727 20 0 GFADRL O=C([O-])C1CC2(C1)C[C@@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)CCS2 ZINC000899950249 663704077 /nfs/dbraw/zinc/70/40/77/663704077.db2.gz YOVJTQUTASAPQW-VGWYGZTPSA-N -2 0 395.424 2.511 20 0 GFADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Br)nc1 ZINC000389447978 677408558 /nfs/dbraw/zinc/40/85/58/677408558.db2.gz PKAMRXOUXRURLF-UHFFFAOYSA-N -2 0 385.239 2.906 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-c2csnn2)cc1 ZINC000057120248 222027674 /nfs/dbraw/zinc/02/76/74/222027674.db2.gz BRHMFZATPGDCJB-UHFFFAOYSA-N -2 0 391.430 2.713 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2ccn(CCC(F)(F)F)n2)sc1C(=O)[O-] ZINC000424080406 563370256 /nfs/dbraw/zinc/37/02/56/563370256.db2.gz IERBDONPVJPYLH-UHFFFAOYSA-N -2 0 383.373 2.704 20 0 GFADRL COC(=O)c1sccc1S(=O)(=O)[N-]c1ccccc1CCCC(=O)[O-] ZINC000281743908 563385588 /nfs/dbraw/zinc/38/55/88/563385588.db2.gz FFARHBZZMDCEDG-UHFFFAOYSA-N -2 0 383.447 2.743 20 0 GFADRL Cc1ccoc1CNS(=O)(=O)c1cc(C(=O)[O-])cc(Br)c1C ZINC000319273997 563444963 /nfs/dbraw/zinc/44/49/63/563444963.db2.gz GCUCGAFWURNZOI-UHFFFAOYSA-N -2 0 388.239 2.836 20 0 GFADRL CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)c(C(=O)[O-])c1 ZINC000327286471 563457363 /nfs/dbraw/zinc/45/73/63/563457363.db2.gz IKBGKSMLJURKRM-UHFFFAOYSA-N -2 0 386.788 2.937 20 0 GFADRL CC(=O)c1ccsc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000427349502 563465848 /nfs/dbraw/zinc/46/58/48/563465848.db2.gz JGPLHMYKDSGSPN-UHFFFAOYSA-N -2 0 389.838 2.868 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(-c3nc[nH]n3)c2)c(Cl)c1 ZINC000377844884 563488410 /nfs/dbraw/zinc/48/84/10/563488410.db2.gz MDQXXLJTMXBEOO-UHFFFAOYSA-N -2 0 378.797 2.624 20 0 GFADRL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cc2c(cc1Cl)NC(=O)C2 ZINC000392245964 563526108 /nfs/dbraw/zinc/52/61/08/563526108.db2.gz FVJVLUDWVNNJGA-UHFFFAOYSA-N -2 0 380.809 2.642 20 0 GFADRL CCn1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1C(F)(F)F ZINC000410407865 563589648 /nfs/dbraw/zinc/58/96/48/563589648.db2.gz QDXJPJHHRFVARS-UHFFFAOYSA-N -2 0 377.344 2.729 20 0 GFADRL CCn1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c1C(F)(F)F ZINC000410400424 563589927 /nfs/dbraw/zinc/58/99/27/563589927.db2.gz BRNFBAWMCXALIJ-UHFFFAOYSA-N -2 0 381.307 2.560 20 0 GFADRL CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)cc1Cl ZINC000436995674 563687462 /nfs/dbraw/zinc/68/74/62/563687462.db2.gz RIQUEXPERIRRQP-UHFFFAOYSA-N -2 0 384.797 2.503 20 0 GFADRL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)N(C)c1ccc(C(=O)[O-])cc1 ZINC000437677050 563697968 /nfs/dbraw/zinc/69/79/68/563697968.db2.gz SYTSOWKLOFLHOV-UHFFFAOYSA-N -2 0 383.809 2.870 20 0 GFADRL O=C([N-]C[C@H]1CCCN(C(=O)c2cc(F)c([O-])c(Cl)c2)C1)C(F)(F)F ZINC000291047584 563730610 /nfs/dbraw/zinc/73/06/10/563730610.db2.gz GQLSICOVACSTEQ-MRVPVSSYSA-N -2 0 382.741 2.715 20 0 GFADRL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000443366631 563803303 /nfs/dbraw/zinc/80/33/03/563803303.db2.gz ALFDPJCPZSQSIU-UHFFFAOYSA-N -3 0 385.419 2.733 20 0 GFADRL O=C([O-])c1ccc(OC(F)(F)F)c([N-]S(=O)(=O)c2cncc(F)c2)c1 ZINC000471977610 564209090 /nfs/dbraw/zinc/20/90/90/564209090.db2.gz IUSVTEVLICCYSF-UHFFFAOYSA-N -2 0 380.275 2.618 20 0 GFADRL COc1ccc(F)cc1[N-]S(=O)(=O)c1cc(OC)c(C(=O)[O-])cc1Cl ZINC000507007023 564215402 /nfs/dbraw/zinc/21/54/02/564215402.db2.gz KCYRBJMYYFVQFG-UHFFFAOYSA-N -2 0 389.788 2.995 20 0 GFADRL C[C@H](Sc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1)C(=O)[O-] ZINC000507568979 564232563 /nfs/dbraw/zinc/23/25/63/564232563.db2.gz VLPLEUUMTQMCAW-JTQLQIEISA-N -2 0 381.431 2.751 20 0 GFADRL Cc1c(Cl)cc(S(=O)(=O)[N-]c2cccc3[nH]c(=O)oc32)cc1C(=O)[O-] ZINC000565748565 564294106 /nfs/dbraw/zinc/29/41/06/564294106.db2.gz VUACCOOTAMDSHC-UHFFFAOYSA-N -2 0 382.781 2.994 20 0 GFADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C(=O)[O-])c(Cl)c1 ZINC000509559771 564303798 /nfs/dbraw/zinc/30/37/98/564303798.db2.gz UOMGFTUUVAECOA-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL CSc1cc2c(cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)OCCO2 ZINC000509610573 564306230 /nfs/dbraw/zinc/30/62/30/564306230.db2.gz KSBXDCHMKOQYFR-UHFFFAOYSA-N -2 0 387.460 2.740 20 0 GFADRL COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])c(F)c1 ZINC000509664517 564308940 /nfs/dbraw/zinc/30/89/40/564308940.db2.gz JQPJTMHVVMDMGT-UHFFFAOYSA-N -2 0 389.788 2.752 20 0 GFADRL FC(F)(F)c1nsc(=NCCCCN=c2[n-]c(C(F)(F)F)ns2)[n-]1 ZINC000566325930 564322985 /nfs/dbraw/zinc/32/29/85/564322985.db2.gz HGQLGWYWQSFQHR-UHFFFAOYSA-N -2 0 392.354 2.575 20 0 GFADRL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000476261990 564332233 /nfs/dbraw/zinc/33/22/33/564332233.db2.gz VOSUGPRLHLQMFW-UHFFFAOYSA-N -2 0 387.772 2.985 20 0 GFADRL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2csc(-c3ccccn3)n2)c1 ZINC000543665524 564357930 /nfs/dbraw/zinc/35/79/30/564357930.db2.gz ZTLZTXKPNRUSDE-UHFFFAOYSA-N -2 0 379.394 2.843 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2cnn(C)c2-c2ccccc2)sc1C(=O)[O-] ZINC000569028462 564445641 /nfs/dbraw/zinc/44/56/41/564445641.db2.gz KPCNATSGXTWDPR-UHFFFAOYSA-N -2 0 377.447 2.956 20 0 GFADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1CSC ZINC000546782867 564468491 /nfs/dbraw/zinc/46/84/91/564468491.db2.gz RQRMXVHHTFIUBO-UHFFFAOYSA-N -2 0 381.475 2.986 20 0 GFADRL Cn1cnnc1Sc1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1 ZINC000515690608 564485503 /nfs/dbraw/zinc/48/55/03/564485503.db2.gz CTQFXFANIKWSQE-UHFFFAOYSA-N -2 0 396.475 2.527 20 0 GFADRL CC[C@@H](C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])CC(=O)[O-] ZINC000547613550 564503281 /nfs/dbraw/zinc/50/32/81/564503281.db2.gz FGGCDJZWZKTXPM-SSDOTTSWSA-N -2 0 385.225 2.681 20 0 GFADRL CC(=O)NCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(C)cc2C)s1 ZINC000547874743 564515080 /nfs/dbraw/zinc/51/50/80/564515080.db2.gz LZJQZZSLEGUGDP-UHFFFAOYSA-N -2 0 382.463 2.500 20 0 GFADRL CC(C)=CCSC[C@@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)C(=O)[O-] ZINC000548265657 564545378 /nfs/dbraw/zinc/54/53/78/564545378.db2.gz HDHJIDOMDBYQFX-GFCCVEGCSA-N -2 0 383.413 2.535 20 0 GFADRL CC[C@@H](C[N-]S(=O)(=O)c1cc(F)c(Br)cc1F)CC(=O)[O-] ZINC000548264300 564545768 /nfs/dbraw/zinc/54/57/68/564545768.db2.gz KRQQZEQKUBRKDJ-SSDOTTSWSA-N -2 0 386.214 2.507 20 0 GFADRL CC(C)(C)[C@H](CC(=O)[O-])NS(=O)(=O)c1cc(F)ccc1Br ZINC000548590620 564564751 /nfs/dbraw/zinc/56/47/51/564564751.db2.gz QWXFKZJPLJAKHV-NSHDSACASA-N -2 0 382.251 2.756 20 0 GFADRL O=C([O-])c1cc2c(cc1[N-]S(=O)(=O)c1cnc3ccsc3c1)OCO2 ZINC000484558109 564591217 /nfs/dbraw/zinc/59/12/17/564591217.db2.gz NHCDQSZGXYDNIP-UHFFFAOYSA-N -2 0 378.387 2.524 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnn(C(F)F)c2)c(Br)c1 ZINC000463787780 564890105 /nfs/dbraw/zinc/89/01/05/564890105.db2.gz PGOPUHDZJVWZLX-UHFFFAOYSA-N -2 0 396.169 2.540 20 0 GFADRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000505126587 565049360 /nfs/dbraw/zinc/04/93/60/565049360.db2.gz ZOZSSWBERLRZMU-UHFFFAOYSA-N -3 0 385.781 2.546 20 0 GFADRL COc1ccc(S(=O)(=O)Nc2cccc(CSC)c2)cc1CC(=O)[O-] ZINC000537037190 565052006 /nfs/dbraw/zinc/05/20/06/565052006.db2.gz SEABYHSZKRXVCX-UHFFFAOYSA-N -2 0 381.475 2.986 20 0 GFADRL COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)[O-] ZINC000614313487 565107115 /nfs/dbraw/zinc/10/71/15/565107115.db2.gz LKXWSUIFIKBLQA-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL Cc1nc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])CC(C)C)sc1Br ZINC000663256558 565404073 /nfs/dbraw/zinc/40/40/73/565404073.db2.gz VURTXGMNDATDIY-VIFPVBQESA-N -2 0 399.332 2.629 20 0 GFADRL CCc1ncc(S(=O)(=O)[N-][C@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)s1 ZINC000646048446 565585040 /nfs/dbraw/zinc/58/50/40/565585040.db2.gz NAKDFWLBUDFRIS-GFCCVEGCSA-N -2 0 394.396 2.986 20 0 GFADRL Cc1noc(C)c1S(=O)(=O)[N-][C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000646048396 565585232 /nfs/dbraw/zinc/58/52/32/565585232.db2.gz IRBYXMPBPUOZPK-GFCCVEGCSA-N -2 0 378.328 2.572 20 0 GFADRL CC1(C)C[C@H](S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC(F)(F)F)CO1 ZINC000629296826 565837688 /nfs/dbraw/zinc/83/76/88/565837688.db2.gz VEYXMRKXJSLPTH-VIFPVBQESA-N -2 0 383.344 2.593 20 0 GFADRL COC(=O)c1csc([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)c1C ZINC000611443576 566130520 /nfs/dbraw/zinc/13/05/20/566130520.db2.gz FOTBKGQLZIPKLF-UHFFFAOYSA-N -2 0 383.447 2.959 20 0 GFADRL O=C([O-])CCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000738597666 599854063 /nfs/dbraw/zinc/85/40/63/599854063.db2.gz BTCFDANFSXABMC-UHFFFAOYSA-N -3 0 383.809 2.856 20 0 GFADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccccc1C(=O)NC(C)C ZINC000477428530 599906229 /nfs/dbraw/zinc/90/62/29/599906229.db2.gz REFRVTHDQWJSDF-UHFFFAOYSA-N -2 0 376.434 2.632 20 0 GFADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cnc(-c2cccc(O)c2)nc1 ZINC000366264680 599906978 /nfs/dbraw/zinc/90/69/78/599906978.db2.gz CBPWHVQWQBETMZ-UHFFFAOYSA-N -2 0 385.401 2.657 20 0 GFADRL CC1=C(C(=O)[O-])[C@H](c2ccc(OCC(=O)[O-])cc2)NC(=O)N1CCC(C)C ZINC000736750693 599983605 /nfs/dbraw/zinc/98/36/05/599983605.db2.gz MHZSMHWQWNIUQQ-KRWDZBQOSA-N -2 0 376.409 2.621 20 0 GFADRL CC1=C(C(=O)[O-])[C@@H](c2ccc3c(c2)CCO3)NC(=O)N1CCCCCC(=O)[O-] ZINC000736751478 599987793 /nfs/dbraw/zinc/98/77/93/599987793.db2.gz QQRYDFXDDPRLAD-GOSISDBHSA-N -2 0 388.420 2.691 20 0 GFADRL CCC/C(C)=C/C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000736960474 600044491 /nfs/dbraw/zinc/04/44/91/600044491.db2.gz VWMSSIBXIFQFQJ-WEVVVXLNSA-N -2 0 379.356 2.955 20 0 GFADRL O=C([O-])c1cc(C(F)(F)F)cc(S(=O)(=O)[N-]C(=O)C=C2CCCC2)c1 ZINC000739210382 600045040 /nfs/dbraw/zinc/04/50/40/600045040.db2.gz QTGYTMGIUBXQKF-UHFFFAOYSA-N -2 0 377.340 2.709 20 0 GFADRL NC(=O)Nc1cccc([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])c1 ZINC000739170690 600053187 /nfs/dbraw/zinc/05/31/87/600053187.db2.gz OVLSGGTZZSSRGN-UHFFFAOYSA-N -2 0 391.430 2.891 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)n(Cc2ccccc2)n1 ZINC000738463149 600055037 /nfs/dbraw/zinc/05/50/37/600055037.db2.gz AGMFRMBICVGHGJ-UHFFFAOYSA-N -2 0 377.447 2.800 20 0 GFADRL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccnn1CCc1ccccc1 ZINC000740146851 600055647 /nfs/dbraw/zinc/05/56/47/600055647.db2.gz WHYHUDPSIFTBFH-UHFFFAOYSA-N -2 0 389.408 2.764 20 0 GFADRL CC(=O)c1ccc(S(=O)(=O)[N-]c2nc3nc(C)cc(C(=O)[O-])c3s2)cc1 ZINC000736197412 600101914 /nfs/dbraw/zinc/10/19/14/600101914.db2.gz XOUVAIPRWYZSDS-UHFFFAOYSA-N -2 0 391.430 2.701 20 0 GFADRL O=C([O-])CCCNC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000428096328 600106432 /nfs/dbraw/zinc/10/64/32/600106432.db2.gz MEGFXYTUEAJTMH-UHFFFAOYSA-N -2 0 396.852 2.735 20 0 GFADRL Cc1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Br)cc2F)s1 ZINC000738803576 600204514 /nfs/dbraw/zinc/20/45/14/600204514.db2.gz ZPWBTQCJCCCZTD-UHFFFAOYSA-N -2 0 395.231 2.852 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)c(F)cc1F ZINC000737680808 600228792 /nfs/dbraw/zinc/22/87/92/600228792.db2.gz MCKHGVRGYWLKJS-UHFFFAOYSA-N -2 0 385.344 2.559 20 0 GFADRL CCn1cnnc1-c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000599914840 600231447 /nfs/dbraw/zinc/23/14/47/600231447.db2.gz LFMQSXTVOCXBMJ-UHFFFAOYSA-N -2 0 386.433 2.772 20 0 GFADRL CCn1cnnc1-c1ccccc1[N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)[O-] ZINC000737303844 600232290 /nfs/dbraw/zinc/23/22/90/600232290.db2.gz RVLYZGKWJMPOEB-UHFFFAOYSA-N -2 0 390.421 2.674 20 0 GFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2)c(OC(F)F)c1 ZINC000740155829 600237843 /nfs/dbraw/zinc/23/78/43/600237843.db2.gz VQQVWCWAUGYPID-UHFFFAOYSA-N -2 0 378.740 2.835 20 0 GFADRL O=C([O-])C[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])c2ccccc21 ZINC000739654782 600244006 /nfs/dbraw/zinc/24/40/06/600244006.db2.gz XPOZMWGEFGNOCW-SNVBAGLBSA-N -2 0 395.820 2.805 20 0 GFADRL O=C([O-])C[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])c2ccccc21 ZINC000739654780 600244034 /nfs/dbraw/zinc/24/40/34/600244034.db2.gz XPOZMWGEFGNOCW-JTQLQIEISA-N -2 0 395.820 2.805 20 0 GFADRL Cc1cc(Cl)c(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)c(C(=O)[O-])c1 ZINC000738399257 600244066 /nfs/dbraw/zinc/24/40/66/600244066.db2.gz HXGCAEDPVNMZGB-UHFFFAOYSA-N -2 0 387.772 2.985 20 0 GFADRL Cc1ccccc1-n1nccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000738754549 600244422 /nfs/dbraw/zinc/24/44/22/600244422.db2.gz MNMDYXJMAXMVPB-UHFFFAOYSA-N -2 0 375.381 2.819 20 0 GFADRL CN(C)c1ccc([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])nc1 ZINC000737375660 600246612 /nfs/dbraw/zinc/24/66/12/600246612.db2.gz LJMCUPBUZXTNQT-UHFFFAOYSA-N -2 0 377.447 2.861 20 0 GFADRL Cc1cccc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cn2)c1C(=O)[O-] ZINC000738745634 600247313 /nfs/dbraw/zinc/24/73/13/600247313.db2.gz SNMJRCLYLFYAPD-UHFFFAOYSA-N -2 0 375.450 2.879 20 0 GFADRL O=C([O-])c1ccc2c(c1)CCCN2S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000729665866 600253446 /nfs/dbraw/zinc/25/34/46/600253446.db2.gz OCSIGKYSQUVOJI-UHFFFAOYSA-N -2 0 395.820 2.878 20 0 GFADRL CN(Cc1ccc(NC(=O)c2ccc3c(c2)[n-]c(=S)n(C)c3=O)cc1)C(=O)[O-] ZINC000737485550 600305928 /nfs/dbraw/zinc/30/59/28/600305928.db2.gz UCNYYAZXBBJVIB-UHFFFAOYSA-N -2 0 398.444 2.584 20 0 GFADRL CC(C)(C)OC(=O)NCc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1 ZINC000736283486 600423144 /nfs/dbraw/zinc/42/31/44/600423144.db2.gz GYHPXNHDWRTULM-UHFFFAOYSA-N -2 0 396.421 2.803 20 0 GFADRL O=C([O-])CCCc1nnc(NC(=O)c2ccc(Br)cc2[O-])s1 ZINC000739713160 600603512 /nfs/dbraw/zinc/60/35/12/600603512.db2.gz ZCFAYFRTWFWTDJ-UHFFFAOYSA-N -2 0 386.227 2.666 20 0 GFADRL CC1(C)C[C@H]1CNS(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000736726543 600634687 /nfs/dbraw/zinc/63/46/87/600634687.db2.gz MQNQHAIFBOWGHO-ZETCQYMHSA-N -2 0 380.235 2.611 20 0 GFADRL COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(Cl)cc(C(=O)[O-])c1 ZINC000392694137 600638054 /nfs/dbraw/zinc/63/80/54/600638054.db2.gz LYRBHFVAYFZIEY-UHFFFAOYSA-N -2 0 386.769 2.756 20 0 GFADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Br)cc1O ZINC000318241503 600684906 /nfs/dbraw/zinc/68/49/06/600684906.db2.gz ZPRJLRHBLWAREQ-UHFFFAOYSA-N -2 0 386.223 2.962 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)c(C(=O)[O-])c(F)c2)c(Cl)c1 ZINC000768502631 600686667 /nfs/dbraw/zinc/68/66/67/600686667.db2.gz DSPIRLADZXJNOU-UHFFFAOYSA-N -3 0 391.735 2.815 20 0 GFADRL COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2Cl)cc1C(=O)[O-] ZINC000831435062 600688285 /nfs/dbraw/zinc/68/82/85/600688285.db2.gz MVQYPMMPYBHIRF-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL Cn1cc(S(=O)(=O)[N-]c2ncc(Cc3ccccc3)s2)cc1C(=O)[O-] ZINC000833056064 600828380 /nfs/dbraw/zinc/82/83/80/600828380.db2.gz VYOURKLESQPKNV-UHFFFAOYSA-N -2 0 377.447 2.571 20 0 GFADRL CN(C)C(=O)c1ccccc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000737361422 600889294 /nfs/dbraw/zinc/88/92/94/600889294.db2.gz OBSISPJHCPNKMF-UHFFFAOYSA-N -2 0 382.825 2.541 20 0 GFADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2cc(F)c(F)cc2F)c1OC ZINC000484986521 600899215 /nfs/dbraw/zinc/89/92/15/600899215.db2.gz KSLGTEKNRRDOIR-UHFFFAOYSA-N -2 0 391.323 2.620 20 0 GFADRL COc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc(OC)c2OC)c(C)c1 ZINC000608760803 600899340 /nfs/dbraw/zinc/89/93/40/600899340.db2.gz PKFDPQPPRVVJAQ-UHFFFAOYSA-N -2 0 395.433 2.828 20 0 GFADRL C[C@H](CCc1cccc(F)c1)C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000827427288 600937520 /nfs/dbraw/zinc/93/75/20/600937520.db2.gz DCBFFRWKVQFBGP-SNVBAGLBSA-N -2 0 385.438 2.659 20 0 GFADRL C[C@]1(C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)CCc2ccccc2C1 ZINC000827976102 600943579 /nfs/dbraw/zinc/94/35/79/600943579.db2.gz ISFIAPYSPOKMBQ-FQEVSTJZSA-N -2 0 387.457 2.526 20 0 GFADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)[C@H]2C[C@]23CCCc2ccccc23)cc1 ZINC000833314203 600944395 /nfs/dbraw/zinc/94/43/95/600944395.db2.gz DPBRYGWJQCSVQE-NQIIRXRSSA-N -2 0 399.468 2.625 20 0 GFADRL CCCCc1ccc2nc([N-]S(=O)(=O)c3cnn(CC(=O)[O-])c3)sc2c1 ZINC000829441667 600974801 /nfs/dbraw/zinc/97/48/01/600974801.db2.gz WUXRQORVTSZKQY-UHFFFAOYSA-N -2 0 394.478 2.721 20 0 GFADRL CCn1nc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCCC2)c1C ZINC000830441062 600980783 /nfs/dbraw/zinc/98/07/83/600980783.db2.gz RYMSLWLXAYXZDH-UHFFFAOYSA-N -2 0 392.481 2.619 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc(-c2nnc(C)o2)cc1 ZINC000831944889 601203858 /nfs/dbraw/zinc/20/38/58/601203858.db2.gz APYOKHZMVKKVBC-UHFFFAOYSA-N -2 0 395.418 2.614 20 0 GFADRL Cc1nc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(C(=O)[O-])s3)c2)n[nH]1 ZINC000832990439 601205803 /nfs/dbraw/zinc/20/58/03/601205803.db2.gz BJMGMQQBFZLWQH-UHFFFAOYSA-N -2 0 378.435 2.649 20 0 GFADRL Cc1nc(-c2ccc(C)c([N-]S(=O)(=O)c3ccsc3C(=O)[O-])c2)n[nH]1 ZINC000832990669 601205937 /nfs/dbraw/zinc/20/59/37/601205937.db2.gz JILFGFMDCUUAGP-UHFFFAOYSA-N -2 0 378.435 2.649 20 0 GFADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)c1ccc(Oc2ccccc2)o1 ZINC000833148462 601207225 /nfs/dbraw/zinc/20/72/25/601207225.db2.gz KBLCVWLZLYMQMC-UHFFFAOYSA-N -2 0 393.398 2.950 20 0 GFADRL Cc1cnn(-c2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(C)o3)cc2F)c1 ZINC000832986596 601233983 /nfs/dbraw/zinc/23/39/83/601233983.db2.gz GYBCWAIZYORFHK-UHFFFAOYSA-N -2 0 379.369 2.720 20 0 GFADRL CCn1c(=O)c2ccc(C(=O)OCc3cc(C)c(C(=O)[O-])o3)cc2[n-]c1=S ZINC000830411741 601303193 /nfs/dbraw/zinc/30/31/93/601303193.db2.gz ICBLBTHIPXLLBR-UHFFFAOYSA-N -2 0 388.401 2.662 20 0 GFADRL Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)cc1C(=O)[O-] ZINC000438719191 601334149 /nfs/dbraw/zinc/33/41/49/601334149.db2.gz SESYMUFBBIWRBE-UHFFFAOYSA-N -2 0 375.402 2.681 20 0 GFADRL CCn1nc(C)c(S(=O)(=O)[N-]c2nc(C(C)(C)C)c(C(=O)[O-])s2)c1C ZINC000830440996 601362522 /nfs/dbraw/zinc/36/25/22/601362522.db2.gz NTGZXDPJOGZYSZ-UHFFFAOYSA-N -2 0 386.499 2.773 20 0 GFADRL O=C([O-])c1sccc1S(=O)(=O)[N-]c1cc(Br)ccc1O ZINC000833348369 601383482 /nfs/dbraw/zinc/38/34/82/601383482.db2.gz UDPBNHWQTPOKSC-UHFFFAOYSA-N -2 0 378.225 2.715 20 0 GFADRL O=C([O-])Cc1ccc(S(=O)(=O)Nc2cc3ccccc3cc2C(=O)[O-])cc1 ZINC000739886430 601474869 /nfs/dbraw/zinc/47/48/69/601474869.db2.gz OVOHHZXJLUAORU-UHFFFAOYSA-N -2 0 385.397 2.966 20 0 GFADRL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000466287120 601488218 /nfs/dbraw/zinc/48/82/18/601488218.db2.gz HJSIBGHEWGTHOU-UHFFFAOYSA-N -3 0 393.417 2.520 20 0 GFADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)c2ccc3ccc(Cl)cc3n2)c1 ZINC000833333216 601500627 /nfs/dbraw/zinc/50/06/27/601500627.db2.gz KCKQVHGRGAPFIQ-UHFFFAOYSA-N -2 0 390.804 2.705 20 0 GFADRL COc1ccccc1-c1cc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)n[nH]1 ZINC000674053745 601603918 /nfs/dbraw/zinc/60/39/18/601603918.db2.gz ATRALUYFKCRBIU-UHFFFAOYSA-N -2 0 387.417 2.893 20 0 GFADRL COc1ccccc1-c1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)n[nH]1 ZINC000832578284 601604735 /nfs/dbraw/zinc/60/47/35/601604735.db2.gz VBRHHHAEJZLFFE-UHFFFAOYSA-N -2 0 379.419 2.646 20 0 GFADRL Cc1ccc(O)c([N-]S(=O)(=O)c2ccc(Br)cc2C(=O)[O-])c1 ZINC000832953734 601617239 /nfs/dbraw/zinc/61/72/39/601617239.db2.gz ZWMWHFAHXWFHRD-UHFFFAOYSA-N -2 0 386.223 2.962 20 0 GFADRL CCc1ccccc1-n1cc([O-])c(C(=O)NCc2cccc(OCC(=O)[O-])c2)n1 ZINC000830270346 601757211 /nfs/dbraw/zinc/75/72/11/601757211.db2.gz NWPGOCWVAXJFJS-UHFFFAOYSA-N -2 0 395.415 2.534 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2nc(CCCC(=O)[O-])cs2)cc1[N+](=O)[O-] ZINC000393077525 601770919 /nfs/dbraw/zinc/77/09/19/601770919.db2.gz PQIAAEOJILMXNB-UHFFFAOYSA-N -2 0 385.423 2.568 20 0 GFADRL Cn1cc([N-]S(=O)(=O)c2ccc(Br)cc2Cl)cc1C(=O)[O-] ZINC000833053599 601785217 /nfs/dbraw/zinc/78/52/17/601785217.db2.gz YOICXNQXYWTHBZ-UHFFFAOYSA-N -2 0 393.646 2.940 20 0 GFADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cc(OC)c1 ZINC000746352288 601829936 /nfs/dbraw/zinc/82/99/36/601829936.db2.gz FAQLQUMVHMMTRS-UHFFFAOYSA-N -2 0 389.788 2.995 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccn(-c3ccccc3)n2)cc(F)c1F ZINC000751145408 601833310 /nfs/dbraw/zinc/83/33/10/601833310.db2.gz FXMLHVWCKIFDNJ-UHFFFAOYSA-N -2 0 379.344 2.650 20 0 GFADRL Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3nc(C)c(C(=O)[O-])s3)cc2F)c1 ZINC000832986916 601847734 /nfs/dbraw/zinc/84/77/34/601847734.db2.gz MHUBBLPABJNRHG-UHFFFAOYSA-N -2 0 396.425 2.584 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cc(F)ccc1OC(F)F ZINC000831946258 601856183 /nfs/dbraw/zinc/85/61/83/601856183.db2.gz QGOPZSBQWSOSFB-UHFFFAOYSA-N -2 0 397.352 2.996 20 0 GFADRL COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1ccc(F)c(NC(=O)[O-])c1 ZINC000831227126 601861053 /nfs/dbraw/zinc/86/10/53/601861053.db2.gz YZFJQRBXXDVEDL-UHFFFAOYSA-N -2 0 386.332 2.642 20 0 GFADRL COC(=O)c1ccc([N-]S(=O)(=O)c2cc(F)c(C)cc2F)cc1C(=O)[O-] ZINC000831435471 601881721 /nfs/dbraw/zinc/88/17/21/601881721.db2.gz YMBJNDWBKSEGNZ-UHFFFAOYSA-N -2 0 385.344 2.559 20 0 GFADRL COc1cc(C)c(S(=O)(=O)[N-]c2nc3c(s2)CN(C(=O)[O-])CC3)c(C)c1 ZINC000739857963 601976516 /nfs/dbraw/zinc/97/65/16/601976516.db2.gz WFKBYWRIVGWKHC-UHFFFAOYSA-N -2 0 397.478 2.605 20 0 GFADRL Cc1nc(C)n(-c2ccccc2[N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)n1 ZINC000832995793 601989741 /nfs/dbraw/zinc/98/97/41/601989741.db2.gz KHJKLAOJMJPLQD-XFXZXTDPSA-N -2 0 398.444 2.783 20 0 GFADRL COc1ccc([C@@H]2NC(=O)N(CCCCCC(=O)[O-])C(C)=C2C(=O)[O-])s1 ZINC000832273246 601993465 /nfs/dbraw/zinc/99/34/65/601993465.db2.gz QIYFOWXDQRJWDD-HNNXBMFYSA-N -2 0 382.438 2.827 20 0 GFADRL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]c1ccc(NC(=O)[O-])c(OC)c1 ZINC000739785250 601999657 /nfs/dbraw/zinc/99/96/57/601999657.db2.gz SASMDTBZTSYMIP-UHFFFAOYSA-N -2 0 398.368 2.512 20 0 GFADRL Cc1cc(S(=O)(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)cc(C(=O)[O-])c1C ZINC000760356327 602113832 /nfs/dbraw/zinc/11/38/32/602113832.db2.gz NIMSHIRNFHFHKP-CYBMUJFWSA-N -2 0 389.429 2.769 20 0 GFADRL O=C([O-])c1sccc1S(=O)(=O)[N-]c1cc(-c2cccc(F)c2F)[nH]n1 ZINC000833348096 602119600 /nfs/dbraw/zinc/11/96/00/602119600.db2.gz NSSKAXQBDWXBHN-UHFFFAOYSA-N -2 0 385.373 2.915 20 0 GFADRL COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC000831851774 602119783 /nfs/dbraw/zinc/11/97/83/602119783.db2.gz JAGZPUMUHFXNST-UHFFFAOYSA-N -2 0 378.740 2.521 20 0 GFADRL COc1cc(OC)c(OC)cc1[N-]S(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC000832034346 602203372 /nfs/dbraw/zinc/20/33/72/602203372.db2.gz VIUOVRSLVPULNS-UHFFFAOYSA-N -2 0 381.406 2.520 20 0 GFADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)c2ccc3sccc3c2)cc1 ZINC000833316682 602250487 /nfs/dbraw/zinc/25/04/87/602250487.db2.gz IURAFNUHOQUJDT-UHFFFAOYSA-N -2 0 375.427 2.859 20 0 GFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cc1F ZINC000754757583 602322451 /nfs/dbraw/zinc/32/24/51/602322451.db2.gz BAKWPVCOZNESDV-UHFFFAOYSA-N -3 0 391.735 2.815 20 0 GFADRL O=C([O-])Nc1ccc([N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)cc1 ZINC000740712888 602645675 /nfs/dbraw/zinc/64/56/75/602645675.db2.gz GBWDEUXSAYFWPJ-UHFFFAOYSA-N -2 0 379.369 2.601 20 0 GFADRL O=C([O-])N[C@H](CCC(=O)[N-]S(=O)(=O)c1ccccc1Cl)c1ccccc1 ZINC000740537732 602670078 /nfs/dbraw/zinc/67/00/78/602670078.db2.gz AQJYIUHLTHHYTJ-CQSZACIVSA-N -2 0 396.852 2.934 20 0 GFADRL O=C([O-])N1CCc2nc([N-]S(=O)(=O)c3cccc4cccnc43)sc2C1 ZINC000740528755 603152384 /nfs/dbraw/zinc/15/23/84/603152384.db2.gz ARVAYEGDDJSWQQ-UHFFFAOYSA-N -2 0 390.446 2.528 20 0 GFADRL C[C@H](NC(=O)[O-])c1ccc(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000825449586 603400286 /nfs/dbraw/zinc/40/02/86/603400286.db2.gz UJEKEXQDTJRUIM-VIFPVBQESA-N -2 0 382.369 2.653 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc([C@@H](C)NC(=O)[O-])cc2)cs1 ZINC000828761479 603400784 /nfs/dbraw/zinc/40/07/84/603400784.db2.gz VZGDGOZRLAIMTB-SECBINFHSA-N -2 0 384.435 2.664 20 0 GFADRL COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000828736991 603403330 /nfs/dbraw/zinc/40/33/30/603403330.db2.gz BWPIHLGBHWIMDM-LBPRGKRZSA-N -2 0 392.433 2.911 20 0 GFADRL CN(C(=O)[O-])[C@H]1CCN(C(=O)c2cc(Br)cc(Cl)c2[O-])C1 ZINC000827865870 603606082 /nfs/dbraw/zinc/60/60/82/603606082.db2.gz YQGRJSSVCJAFNZ-QMMMGPOBSA-N -2 0 377.622 2.632 20 0 GFADRL O=C([O-])NC[C@@H]1CCN(C(=O)c2cc(Cl)cc(Br)c2[O-])C1 ZINC000832588453 603839752 /nfs/dbraw/zinc/83/97/52/603839752.db2.gz AMXPNVQGZUPIGN-ZETCQYMHSA-N -2 0 377.622 2.538 20 0 GFADRL CN(C[C@@H]1CCN(C(=O)c2cc(Cl)cc(Br)c2[O-])C1)C(=O)[O-] ZINC000828253495 603840063 /nfs/dbraw/zinc/84/00/63/603840063.db2.gz NVAHNUOPJNEPHS-QMMMGPOBSA-N -2 0 391.649 2.880 20 0 GFADRL O=C([O-])Nc1ccc(C(=O)N2CCC(OC[C@@H]3CCCCO3)CC2)c(O)c1 ZINC000832829181 604068878 /nfs/dbraw/zinc/06/88/78/604068878.db2.gz OXCCJXSPFGRHNN-HNNXBMFYSA-N -2 0 378.425 2.672 20 0 GFADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2nnc(C(F)(F)F)s2)c1 ZINC000833317597 604403638 /nfs/dbraw/zinc/40/36/38/604403638.db2.gz XMACMXIMUVOJJB-UHFFFAOYSA-N -2 0 387.748 2.709 20 0 GFADRL Cc1cc([C@H](C)OC(=O)c2ccc(F)cc2[N-]S(C)(=O)=O)oc1C(=O)[O-] ZINC000832873232 604568621 /nfs/dbraw/zinc/56/86/21/604568621.db2.gz AHFBIZSKGLJLRN-VIFPVBQESA-N -2 0 385.369 2.715 20 0 GFADRL CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2nc(CCC(=O)[O-])cs2)cc1 ZINC000826669714 604624088 /nfs/dbraw/zinc/62/40/88/604624088.db2.gz RWSNXGZJPFYYNQ-UHFFFAOYSA-N -2 0 382.463 2.800 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)n(C2CCOCC2)n1 ZINC000832899885 604798831 /nfs/dbraw/zinc/79/88/31/604798831.db2.gz UINZCAJJQZYLSG-UHFFFAOYSA-N -2 0 399.856 2.695 20 0 GFADRL Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3ccc(CC(=O)[O-])cc3)c2C)o1 ZINC000135404085 604808317 /nfs/dbraw/zinc/80/83/17/604808317.db2.gz KJTVNGASAKMDRC-UHFFFAOYSA-N -2 0 375.406 2.714 20 0 GFADRL CC1=C(C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C(F)(F)F)c2)CCC1 ZINC000833576083 604884173 /nfs/dbraw/zinc/88/41/73/604884173.db2.gz UMBUJEFXZJHPDQ-UHFFFAOYSA-N -2 0 377.340 2.709 20 0 GFADRL CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000016480345 605095208 /nfs/dbraw/zinc/09/52/08/605095208.db2.gz ZWTMXRYIKPEZEC-UHFFFAOYSA-N -2 0 397.478 2.773 20 0 GFADRL CC(C)n1cnc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCCC2)c1 ZINC000833513779 605183702 /nfs/dbraw/zinc/18/37/02/605183702.db2.gz RFRANHPVTHOBBZ-UHFFFAOYSA-N -2 0 378.454 2.563 20 0 GFADRL C[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000833602123 605187954 /nfs/dbraw/zinc/18/79/54/605187954.db2.gz PIADTGQWAZYZCV-RKDXNWHRSA-N -2 0 379.356 2.645 20 0 GFADRL CC(=O)N1c2ccc(S(=O)(=O)[N-]c3sccc3C(=O)[O-])cc2C[C@@H]1C ZINC000833395345 605203728 /nfs/dbraw/zinc/20/37/28/605203728.db2.gz NPLPDTZMMAWIFU-VIFPVBQESA-N -2 0 380.447 2.545 20 0 GFADRL O=C([O-])c1csc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)nc2)c1 ZINC000833784628 605290596 /nfs/dbraw/zinc/29/05/96/605290596.db2.gz FVTRRWIVRGNKOD-UHFFFAOYSA-N -2 0 382.341 2.583 20 0 GFADRL O=C([O-])N[C@@H](CCC(=O)NC1(C(=O)[O-])Cc2ccccc2C1)c1ccccc1 ZINC000834138360 606049091 /nfs/dbraw/zinc/04/90/91/606049091.db2.gz UDDZUGYKPZPHOV-KRWDZBQOSA-N -2 0 382.416 2.514 20 0 GFADRL O=C([O-])N[C@@H]1CC[C@H](C(=O)NC[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])C1 ZINC000834168877 606062343 /nfs/dbraw/zinc/06/23/43/606062343.db2.gz IRTIXIRZCUSLFB-RCCFBDPRSA-N -2 0 384.432 2.636 20 0 GFADRL O=C([O-])N[C@@H](CC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)cc1)c1ccccc1 ZINC000834121836 606067168 /nfs/dbraw/zinc/06/71/68/606067168.db2.gz IXQPUWKSDBKRJX-HOCLYGCPSA-N -2 0 376.796 2.981 20 0 GFADRL O=C([O-])NCCOc1ccc([N-]S(=O)(=O)c2c(F)cc(F)cc2F)cc1 ZINC000834245190 606081268 /nfs/dbraw/zinc/08/12/68/606081268.db2.gz JJHODXYAJSWWCK-UHFFFAOYSA-N -2 0 390.339 2.551 20 0 GFADRL O=C([O-])Nc1ccccc1CC(=O)[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000834271971 606093256 /nfs/dbraw/zinc/09/32/56/606093256.db2.gz HHTHBIOAUSUVIT-UHFFFAOYSA-N -2 0 382.825 2.619 20 0 GFADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000819089047 660246040 /nfs/dbraw/zinc/24/60/40/660246040.db2.gz JSJVIFMJTPTCTO-HZMBPMFUSA-N -2 0 375.368 2.706 20 0 GFADRL CCc1ccc(S(=O)(=O)[N-]c2c(C)onc2OC(F)F)cc1C(=O)[O-] ZINC000829935860 660623758 /nfs/dbraw/zinc/62/37/58/660623758.db2.gz VYYVQQMBLJPORN-UHFFFAOYSA-N -2 0 376.337 2.646 20 0 GFADRL O=C([O-])CCCCNC(=O)c1cc(Br)c([O-])c(Br)c1 ZINC000836718098 660935526 /nfs/dbraw/zinc/93/55/26/660935526.db2.gz YYZJCYYKIOMNNS-UHFFFAOYSA-N -2 0 395.047 2.902 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2cc(Cl)c(Cl)c(C(=O)[O-])c2)cn1 ZINC000058488429 654818437 /nfs/dbraw/zinc/81/84/37/654818437.db2.gz UVYGAZLEVVWCOA-UHFFFAOYSA-N -2 0 377.205 2.896 20 0 GFADRL COc1ncccc1[N-]S(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000058494111 654818447 /nfs/dbraw/zinc/81/84/47/654818447.db2.gz GVSXXISUCNJUFZ-UHFFFAOYSA-N -2 0 377.205 2.896 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccn(CC(F)(F)F)n2)c1Cl ZINC000156370674 655092257 /nfs/dbraw/zinc/09/22/57/655092257.db2.gz MAIQDZITJZGBNC-UHFFFAOYSA-N -2 0 397.762 2.906 20 0 GFADRL O=C([N-]NC(=O)c1cc(F)c(F)c([O-])c1F)c1ccc(Br)s1 ZINC000184908425 655360566 /nfs/dbraw/zinc/36/05/66/655360566.db2.gz XLHTXNARYGVREX-UHFFFAOYSA-N -2 0 395.156 2.708 20 0 GFADRL COc1cc(OC)c([N-]S(=O)(=O)c2cnc(Cl)c(C)c2)c(C(=O)[O-])c1 ZINC000735267277 655643415 /nfs/dbraw/zinc/64/34/15/655643415.db2.gz ALFRWYJCPPZTJK-UHFFFAOYSA-N -2 0 386.813 2.560 20 0 GFADRL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Cl)c1C(N)=O ZINC000753773920 655858344 /nfs/dbraw/zinc/85/83/44/655858344.db2.gz ACFDPELRTOPDQK-UHFFFAOYSA-N -2 0 382.825 2.555 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2F)c1Cl ZINC000753778377 655858486 /nfs/dbraw/zinc/85/84/86/655858486.db2.gz FLIBSXZHBBHBJW-UHFFFAOYSA-N -2 0 387.772 2.985 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2cnc(Cl)c(C)c2)c(C)c1OCC(=O)[O-] ZINC000759681423 655961178 /nfs/dbraw/zinc/96/11/78/655961178.db2.gz YRGDDQMKXIWMOD-UHFFFAOYSA-N -2 0 384.841 2.924 20 0 GFADRL Cc1cc(S(=O)(=O)Nc2ccc(CC(=O)[O-])cc2)cc(C(=O)[O-])c1Cl ZINC000762433595 656041750 /nfs/dbraw/zinc/04/17/50/656041750.db2.gz VDEHRDZWPAQECB-UHFFFAOYSA-N -2 0 383.809 2.775 20 0 GFADRL CC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)[O-] ZINC000776613576 656766823 /nfs/dbraw/zinc/76/68/23/656766823.db2.gz FVLYOBUAADSKJH-RITPCOANSA-N -2 0 375.315 2.550 20 0 GFADRL O=C([O-])c1ccc(Br)c(S(=O)(=O)[N-]c2cccc3c2CCO3)c1 ZINC000794607460 658577241 /nfs/dbraw/zinc/57/72/41/658577241.db2.gz KHKJGJPOLQOZCR-UHFFFAOYSA-N -2 0 398.234 2.883 20 0 GFADRL CCC(C)(C)[C@@H]([N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)[O-] ZINC000843296577 661376505 /nfs/dbraw/zinc/37/65/05/661376505.db2.gz NOEANYHMCPXYDP-NSHDSACASA-N -2 0 375.315 2.550 20 0 GFADRL O=C([O-])CCCCC(=O)[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000863965333 662351641 /nfs/dbraw/zinc/35/16/41/662351641.db2.gz GWCBVTKNFLBHOE-UHFFFAOYSA-N -2 0 398.662 2.552 20 0 GFADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000910182682 664198260 /nfs/dbraw/zinc/19/82/60/664198260.db2.gz IGAIMZVGGCBGMV-CPCISQLKSA-N -2 0 379.718 2.749 20 0 GFADRL O=C([O-])C[C@H](NS(=O)(=O)c1csc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000917723521 664489116 /nfs/dbraw/zinc/48/91/16/664489116.db2.gz POSXSSPWIWYGMP-NSHDSACASA-N -2 0 389.838 2.594 20 0 GFADRL N#Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(Br)c(C(=O)[O-])c1 ZINC000391070111 677409033 /nfs/dbraw/zinc/40/90/33/677409033.db2.gz KZXANSUOUGVZAO-UHFFFAOYSA-N -2 0 399.197 2.959 20 0 GFADRL CNC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1C ZINC000392788451 677410305 /nfs/dbraw/zinc/41/03/05/677410305.db2.gz JRVFOEBSFYFPHE-UHFFFAOYSA-N -2 0 382.825 2.507 20 0 GFADRL COc1cc([N-]S(=O)(=O)c2ccc(F)cc2Cl)c(C(=O)[O-])cc1OC ZINC000044255723 551143745 /nfs/dbraw/zinc/14/37/45/551143745.db2.gz YZAHGSLQTFNJMJ-UHFFFAOYSA-N -2 0 389.788 2.995 20 0 GFADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccn(-c2ccccc2Cl)n1 ZINC000130413575 551364980 /nfs/dbraw/zinc/36/49/80/551364980.db2.gz WLLRTSLRXHWRCH-UHFFFAOYSA-N -2 0 381.797 2.926 20 0 GFADRL Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000194120623 553012406 /nfs/dbraw/zinc/01/24/06/553012406.db2.gz RFOQFODMVFIXBQ-UHFFFAOYSA-N -2 0 377.344 2.555 20 0 GFADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccn(CCC(F)(F)F)n1 ZINC000424089722 563370146 /nfs/dbraw/zinc/37/01/46/563370146.db2.gz WJWYWXMQMJKROK-UHFFFAOYSA-N -2 0 377.344 2.643 20 0 GFADRL CC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC000299169998 563377326 /nfs/dbraw/zinc/37/73/26/563377326.db2.gz WLZOJJAAEXIAJT-JTQLQIEISA-N -2 0 382.463 2.775 20 0 GFADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc3c2OCC[C@H]3O)c1 ZINC000375646295 563412281 /nfs/dbraw/zinc/41/22/81/563412281.db2.gz CJUBYQPZSHPJGB-CYBMUJFWSA-N -2 0 383.809 2.655 20 0 GFADRL CCOc1ccc(Br)cc1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C ZINC000314334702 563438357 /nfs/dbraw/zinc/43/83/57/563438357.db2.gz RVUQYJBKDSUPRS-GFCCVEGCSA-N -2 0 394.287 2.625 20 0 GFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2F)c(O)c1 ZINC000318391147 563444155 /nfs/dbraw/zinc/44/41/55/563444155.db2.gz DHCLYQUZAKNZEY-UHFFFAOYSA-N -2 0 390.186 2.793 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3c[nH]nc3c2)c(Br)c1 ZINC000319679691 563445697 /nfs/dbraw/zinc/44/56/97/563445697.db2.gz VFPNRHHPPWPYQA-UHFFFAOYSA-N -2 0 396.222 2.824 20 0 GFADRL CCn1ncc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c1C(F)(F)F ZINC000410405341 563589933 /nfs/dbraw/zinc/58/99/33/563589933.db2.gz IUAZCYGNGVVMOP-UHFFFAOYSA-N -2 0 383.373 2.791 20 0 GFADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1c(C)csc1C(=O)OC ZINC000436186765 563666923 /nfs/dbraw/zinc/66/69/23/563666923.db2.gz GKONKGFNECPSBM-UHFFFAOYSA-N -2 0 383.447 2.905 20 0 GFADRL Cc1ccc(Br)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(O)c2)c1 ZINC000436937466 563685459 /nfs/dbraw/zinc/68/54/59/563685459.db2.gz IPGUJQHDDFQSFU-UHFFFAOYSA-N -2 0 386.223 2.962 20 0 GFADRL COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C ZINC000471133119 564186532 /nfs/dbraw/zinc/18/65/32/564186532.db2.gz MAWYIRYXTRKUCB-UHFFFAOYSA-N -2 0 375.324 2.920 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc(C(F)(F)F)c2)cn1 ZINC000506662608 564208351 /nfs/dbraw/zinc/20/83/51/564208351.db2.gz SETMJMVJVPKYBN-UHFFFAOYSA-N -2 0 376.312 2.608 20 0 GFADRL O=C([O-])c1ccc(NS(=O)(=O)C[C@H]2CCCCC2(F)F)cc1C(=O)[O-] ZINC000565936111 564302364 /nfs/dbraw/zinc/30/23/64/564302364.db2.gz AKSSNWHVWWHYEE-SECBINFHSA-N -2 0 377.365 2.650 20 0 GFADRL Cc1cccc(C(N)=O)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C ZINC000476247489 564332439 /nfs/dbraw/zinc/33/24/39/564332439.db2.gz LHSFXFRKIJQXQV-UHFFFAOYSA-N -2 0 382.825 2.555 20 0 GFADRL CCOc1ccc(S(=O)(=O)[N-]c2c(OC)ccc(Cl)c2C(=O)[O-])cn1 ZINC000543658605 564357860 /nfs/dbraw/zinc/35/78/60/564357860.db2.gz QNTSOXODHUOTAW-UHFFFAOYSA-N -2 0 386.813 2.641 20 0 GFADRL COCCOc1ccccc1S(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)[O-] ZINC000546539572 564457939 /nfs/dbraw/zinc/45/79/39/564457939.db2.gz YAOASOGSSVZGGY-UHFFFAOYSA-N -2 0 385.825 2.864 20 0 GFADRL Cc1cc(Br)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000481432179 564512842 /nfs/dbraw/zinc/51/28/42/564512842.db2.gz HDGFPXATQRNOSV-UHFFFAOYSA-N -2 0 386.223 2.962 20 0 GFADRL COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1C ZINC000548199132 564535812 /nfs/dbraw/zinc/53/58/12/564535812.db2.gz UGBBLWMALVACOQ-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL C[C@H](CC(=O)[O-])NC(=O)c1cc(Br)c([O-])c(Br)c1 ZINC000455757966 564569773 /nfs/dbraw/zinc/56/97/73/564569773.db2.gz RINNGLKMBCQVRB-RXMQYKEDSA-N -2 0 381.020 2.510 20 0 GFADRL Cc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)c1Br ZINC000484503882 564589199 /nfs/dbraw/zinc/58/91/99/564589199.db2.gz SZCNYMOUHFGTCW-UHFFFAOYSA-N -2 0 386.223 2.962 20 0 GFADRL CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(Cl)c1 ZINC000484625264 564592793 /nfs/dbraw/zinc/59/27/93/564592793.db2.gz ASFGYONBWXEFFL-UHFFFAOYSA-N -2 0 387.797 2.781 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2cc(OC)c(C(=O)[O-])cc2Cl)cc1F ZINC000485261194 564611891 /nfs/dbraw/zinc/61/18/91/564611891.db2.gz NKZADPYCEWXQDJ-UHFFFAOYSA-N -2 0 389.788 2.995 20 0 GFADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1O[C@H]1CCOC1 ZINC000531588978 564914307 /nfs/dbraw/zinc/91/43/07/564914307.db2.gz YYCSWXZZWBZYAT-NSHDSACASA-N -2 0 383.447 2.723 20 0 GFADRL O=C([O-])COc1ccc(/C=C\c2cc(C(=O)[O-])ncn2)cc1Br ZINC000534145722 564981043 /nfs/dbraw/zinc/98/10/43/564981043.db2.gz KJTHOPIQQUOMTB-IWQZZHSRSA-N -2 0 379.166 2.571 20 0 GFADRL C[C@@H](Sc1ccc([N-]S(=O)(=O)c2cc(Cl)cnc2N)cc1)C(=O)[O-] ZINC000504704529 565043664 /nfs/dbraw/zinc/04/36/64/565043664.db2.gz XMZMDLSCYZZSNB-MRVPVSSYSA-N -2 0 387.870 2.683 20 0 GFADRL O=C([O-])c1cc2c(cc1[N-]S(=O)(=O)c1cc(F)ccc1Cl)OCCO2 ZINC000590694999 565197629 /nfs/dbraw/zinc/19/76/29/565197629.db2.gz JGANKANGUJBDDM-UHFFFAOYSA-N -2 0 387.772 2.749 20 0 GFADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1NC(=O)N(C)C ZINC000591679448 565236453 /nfs/dbraw/zinc/23/64/53/565236453.db2.gz NBWSRSPQKQXKPI-UHFFFAOYSA-N -2 0 383.451 2.649 20 0 GFADRL O=C([O-])CC[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1F)C(F)(F)F ZINC000663294150 565407956 /nfs/dbraw/zinc/40/79/56/565407956.db2.gz OZNFFTHKUHCRSY-ZETCQYMHSA-N -2 0 377.743 2.801 20 0 GFADRL Cc1noc(C)c1S(=O)(=O)[N-][C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000646048397 565585146 /nfs/dbraw/zinc/58/51/46/565585146.db2.gz IRBYXMPBPUOZPK-LBPRGKRZSA-N -2 0 378.328 2.572 20 0 GFADRL CC(C)[C@H](CNC(=O)N=c1nc(SCc2ccccc2)[n-]s1)C(=O)[O-] ZINC000653540388 565971705 /nfs/dbraw/zinc/97/17/05/565971705.db2.gz GBDXQSNYFRAEJV-LBPRGKRZSA-N -2 0 380.495 2.731 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc(Cl)c2C(N)=O)c1C ZINC000608343126 566011831 /nfs/dbraw/zinc/01/18/31/566011831.db2.gz RICNTMNYRRGJJA-UHFFFAOYSA-N -2 0 382.825 2.555 20 0 GFADRL Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]c2cnn(C)c2C(=O)[O-])c1Cl ZINC000678716587 566017251 /nfs/dbraw/zinc/01/72/51/566017251.db2.gz JPUNIRFEIXMGKR-UHFFFAOYSA-N -2 0 378.237 2.843 20 0 GFADRL COc1cc(F)c(S(=O)(=O)[N-]c2c(C)ccc(F)c2C(=O)[O-])c(F)c1 ZINC000681564494 566112509 /nfs/dbraw/zinc/11/25/09/566112509.db2.gz IWVJWNFQZNJRJA-UHFFFAOYSA-N -2 0 375.324 2.920 20 0 GFADRL Cc1cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)sc1C(=O)[O-] ZINC000656647672 566153892 /nfs/dbraw/zinc/15/38/92/566153892.db2.gz XLWAGEZWBGKQIM-NSHDSACASA-N -2 0 381.431 2.522 20 0 GFADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2C(=O)[O-])o1 ZINC000548199339 599737384 /nfs/dbraw/zinc/73/73/84/599737384.db2.gz ZOXRHVLLSIGTGI-UHFFFAOYSA-N -2 0 393.295 2.584 20 0 GFADRL CC(C)OCCOCc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1 ZINC000736484654 599738029 /nfs/dbraw/zinc/73/80/29/599738029.db2.gz IAKYHXTXKUWTIO-UHFFFAOYSA-N -2 0 383.422 2.720 20 0 GFADRL C[C@H]1CCCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000736784979 599738420 /nfs/dbraw/zinc/73/84/20/599738420.db2.gz NSAVWUFRMOXUDA-LBPRGKRZSA-N -2 0 392.433 2.793 20 0 GFADRL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)c(F)c1 ZINC000737719218 599816242 /nfs/dbraw/zinc/81/62/42/599816242.db2.gz WQYIAMRVUAVIIC-UHFFFAOYSA-N -2 0 393.801 2.826 20 0 GFADRL CC1=C(C(=O)[O-])[C@H](c2cnn3ccccc23)NC(=O)N1c1ccc(C(=O)[O-])cc1 ZINC000736751425 599849513 /nfs/dbraw/zinc/84/95/13/599849513.db2.gz PPNLQILLNBCKTQ-KRWDZBQOSA-N -2 0 392.371 2.662 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)C[C@H]2CCCc3ccccc32)s1 ZINC000739222206 599884766 /nfs/dbraw/zinc/88/47/66/599884766.db2.gz IMOANPJYXYNDEV-GFCCVEGCSA-N -2 0 379.459 2.761 20 0 GFADRL CCN(CC)C(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000268670298 599907239 /nfs/dbraw/zinc/90/72/39/599907239.db2.gz ZQGSRNVXDNAGFS-UHFFFAOYSA-N -2 0 390.461 2.976 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)c(OC)c1OC ZINC000477422623 599908164 /nfs/dbraw/zinc/90/81/64/599908164.db2.gz NAVWDJXXTYYCPG-UHFFFAOYSA-N -2 0 381.406 2.520 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2c(Cl)nc3sccn32)c(C(=O)[O-])c1 ZINC000738040038 599924460 /nfs/dbraw/zinc/92/44/60/599924460.db2.gz QDBUBMZXXRUASE-UHFFFAOYSA-N -2 0 387.826 2.557 20 0 GFADRL COC(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])cc1C ZINC000737700822 599925628 /nfs/dbraw/zinc/92/56/28/599925628.db2.gz XUJMOBAUTJUKHG-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL CC1=C(C(=O)[O-])[C@H](c2ccc(OCC(=O)[O-])cc2)NC(=O)N1Cc1ccccc1 ZINC000736749708 599982399 /nfs/dbraw/zinc/98/23/99/599982399.db2.gz DZGTVEAZAHTMKR-IBGZPJMESA-N -2 0 396.399 2.775 20 0 GFADRL CCC1=C(C(=O)[O-])[C@H](c2cccc(OCCC(=O)[O-])c2)NC(=O)N1CC1CC1 ZINC000736931592 599988060 /nfs/dbraw/zinc/98/80/60/599988060.db2.gz GPIMVKUHSYMMPY-SFHVURJKSA-N -2 0 388.420 2.765 20 0 GFADRL CCCC1=C(C(=O)[O-])[C@H](c2ccc(OCC(=O)[O-])cc2)NC(=O)N1CC1CC1 ZINC000736976231 599988122 /nfs/dbraw/zinc/98/81/22/599988122.db2.gz XGHOGEPMQNMPMH-SFHVURJKSA-N -2 0 388.420 2.765 20 0 GFADRL CCNC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC000737124152 600005009 /nfs/dbraw/zinc/00/50/09/600005009.db2.gz YLVOUHYVVAXCIS-UHFFFAOYSA-N -2 0 382.825 2.589 20 0 GFADRL COC(=O)c1ccc(OC)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC000737699445 600006085 /nfs/dbraw/zinc/00/60/85/600006085.db2.gz BXXTXLWWACACBL-UHFFFAOYSA-N -2 0 399.808 2.634 20 0 GFADRL COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(OC)ccc1C(=O)[O-] ZINC000548235079 600006135 /nfs/dbraw/zinc/00/61/35/600006135.db2.gz KKSZVBSQCAETDL-UHFFFAOYSA-N -2 0 399.808 2.634 20 0 GFADRL CC(F)(F)CCC(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000736630539 600044299 /nfs/dbraw/zinc/04/42/99/600044299.db2.gz ZPOKSTKZNMPSAE-UHFFFAOYSA-N -2 0 389.298 2.644 20 0 GFADRL O=C([O-])c1cc(C(F)(F)F)cc(S(=O)(=O)[N-]C(=O)Cc2ccsc2)c1 ZINC000739348535 600044862 /nfs/dbraw/zinc/04/48/62/600044862.db2.gz ANCQTYGXCBRUFH-UHFFFAOYSA-N -2 0 393.364 2.513 20 0 GFADRL CNC(=O)c1ccc([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])cc1 ZINC000737546969 600051614 /nfs/dbraw/zinc/05/16/14/600051614.db2.gz PYDHPHQRPLJEAX-UHFFFAOYSA-N -2 0 390.442 2.760 20 0 GFADRL Cc1ccsc1Cn1nccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000738331230 600054431 /nfs/dbraw/zinc/05/44/31/600054431.db2.gz OSCORZYCTMZDJK-UHFFFAOYSA-N -2 0 377.447 2.800 20 0 GFADRL Cc1ccc(Cn2nccc2[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1 ZINC000738605231 600055409 /nfs/dbraw/zinc/05/54/09/600055409.db2.gz SDZLLPVQNUDHIP-UHFFFAOYSA-N -2 0 389.408 2.878 20 0 GFADRL Cc1cccc(Cn2nccc2[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000738721709 600055906 /nfs/dbraw/zinc/05/59/06/600055906.db2.gz OFAZSZZGQHEIEH-UHFFFAOYSA-N -2 0 377.447 2.800 20 0 GFADRL Cc1cnc2c(cccc2S(=O)(=O)[N-]C(=O)c2cccc(NC(=O)[O-])c2)c1 ZINC000738803492 600056365 /nfs/dbraw/zinc/05/63/65/600056365.db2.gz UOCKGKTYSPDMMH-UHFFFAOYSA-N -2 0 385.401 2.752 20 0 GFADRL Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3cc(F)ccc3C(=O)[O-])cn2)n1 ZINC000738371221 600096365 /nfs/dbraw/zinc/09/63/65/600096365.db2.gz GJNUOJSSJQYEDH-UHFFFAOYSA-N -2 0 390.396 2.522 20 0 GFADRL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccn(Cc2ccccc2)n1 ZINC000740144221 600098412 /nfs/dbraw/zinc/09/84/12/600098412.db2.gz LFBMJDHFVXJPBU-UHFFFAOYSA-N -2 0 375.381 2.570 20 0 GFADRL O=C([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(Br)n1 ZINC000740136234 600179644 /nfs/dbraw/zinc/17/96/44/600179644.db2.gz SSCCJHGLGMCMRM-UHFFFAOYSA-N -2 0 391.630 2.997 20 0 GFADRL CCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C ZINC000737107857 600244433 /nfs/dbraw/zinc/24/44/33/600244433.db2.gz BVXLKRCPONBJLY-UHFFFAOYSA-N -2 0 381.381 2.746 20 0 GFADRL Cc1c(C[S@@](C)=O)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000738292067 600254961 /nfs/dbraw/zinc/25/49/61/600254961.db2.gz YGUCEUDDZOQUBN-XMMPIXPASA-N -2 0 385.438 2.512 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N(C)C[C@@H](C)C(=O)[O-])cc1 ZINC000263261744 600418827 /nfs/dbraw/zinc/41/88/27/600418827.db2.gz UVDCOOFXHRXXLL-CQSZACIVSA-N -2 0 390.461 2.589 20 0 GFADRL CCCS(=O)(=O)[N-]C(=O)c1ccccc1SCc1occc1C(=O)[O-] ZINC000737035775 600511126 /nfs/dbraw/zinc/51/11/26/600511126.db2.gz RWYIJCYJOAHILZ-UHFFFAOYSA-N -2 0 383.447 2.740 20 0 GFADRL O=C([O-])c1ccc(COC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)o1 ZINC000740291225 600546077 /nfs/dbraw/zinc/54/60/77/600546077.db2.gz SKHBPRDTVGQVRV-UHFFFAOYSA-N -2 0 392.161 2.939 20 0 GFADRL CC1=C(C(=O)[O-])[C@@H](c2cccc(OCC(=O)[O-])c2)NC(=O)N1Cc1ccccc1 ZINC000736752316 600625016 /nfs/dbraw/zinc/62/50/16/600625016.db2.gz VYYSHNKYOUFURG-LJQANCHMSA-N -2 0 396.399 2.775 20 0 GFADRL O=C([O-])C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c2ccccc21 ZINC000369791767 600685085 /nfs/dbraw/zinc/68/50/85/600685085.db2.gz SGUNIKNKTSHLML-SNVBAGLBSA-N -2 0 395.820 2.805 20 0 GFADRL COC(=O)c1ccc([N-]S(=O)(=O)c2cc(F)ccc2Cl)cc1C(=O)[O-] ZINC000831434823 600689602 /nfs/dbraw/zinc/68/96/02/600689602.db2.gz FRNZJRWBKTVOCW-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)NCC2CC2)o1 ZINC000740177667 600694760 /nfs/dbraw/zinc/69/47/60/600694760.db2.gz RAFIJNWLERFYNY-UHFFFAOYSA-N -2 0 398.824 2.572 20 0 GFADRL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000462100890 600817030 /nfs/dbraw/zinc/81/70/30/600817030.db2.gz JOWXSTNDZASOKQ-UHFFFAOYSA-N -3 0 397.380 2.730 20 0 GFADRL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2cnn(CC(F)(F)F)c2)c1 ZINC000740076296 600894782 /nfs/dbraw/zinc/89/47/82/600894782.db2.gz VPSHJFXTYJIGLR-UHFFFAOYSA-N -2 0 383.735 2.598 20 0 GFADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000736424207 600897020 /nfs/dbraw/zinc/89/70/20/600897020.db2.gz SXGZJSOWMXPPAR-AWEZNQCLSA-N -2 0 389.429 2.714 20 0 GFADRL O=C([O-])c1cc(C(F)(F)F)cc(S(=O)(=O)[N-]C(=O)[C@@H]2Cc3ccccc32)c1 ZINC000833298149 600945257 /nfs/dbraw/zinc/94/52/57/600945257.db2.gz PFTIDXMPYPVUQP-CQSZACIVSA-N -2 0 399.346 2.548 20 0 GFADRL Cc1ccc(-n2[n-]c(C(=O)Nc3ccc(OCCCC(=O)[O-])cc3)cc2=O)cc1 ZINC000832909519 600947286 /nfs/dbraw/zinc/94/72/86/600947286.db2.gz GJBNQEHJNHWHKD-UHFFFAOYSA-N -2 0 395.415 2.970 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2nc(CN3CCCCC3)cs2)ccc1C(=O)[O-] ZINC000832904647 600976726 /nfs/dbraw/zinc/97/67/26/600976726.db2.gz WRDFUQVBTKKRBK-UHFFFAOYSA-N -2 0 395.506 2.936 20 0 GFADRL Cc1ccc(Cn2nccc2[N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1 ZINC000832935639 600976932 /nfs/dbraw/zinc/97/69/32/600976932.db2.gz HMADUODHNJIZTH-UHFFFAOYSA-N -2 0 377.447 2.800 20 0 GFADRL C/C(=C\c1ccc(F)cc1)C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000825798777 601141846 /nfs/dbraw/zinc/14/18/46/601141846.db2.gz XUMBUNKRZPUMRK-ZRDIBKRKSA-N -2 0 377.393 2.573 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cc(Cl)ccc1N(C)C ZINC000831946338 601201100 /nfs/dbraw/zinc/20/11/00/601201100.db2.gz UVLMJZBAROSQRG-UHFFFAOYSA-N -2 0 390.870 2.975 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cc(NC(C)=O)ccc1C ZINC000831944976 601203036 /nfs/dbraw/zinc/20/30/36/601203036.db2.gz CTHIHDYBXGETEE-UHFFFAOYSA-N -2 0 384.435 2.523 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(Cl)c1 ZINC000831946653 601203107 /nfs/dbraw/zinc/20/31/07/601203107.db2.gz WAVGWKHDAJHPND-UHFFFAOYSA-N -3 0 391.810 2.607 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2ccc(Br)c(C)n2)cc1C(=O)[O-] ZINC000833003017 601230548 /nfs/dbraw/zinc/23/05/48/601230548.db2.gz KUTSHCMPQIJWIV-UHFFFAOYSA-N -2 0 375.200 2.553 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2c(C)cccc2C(=O)N2CCCC2)cc1C(=O)[O-] ZINC000832963780 601231881 /nfs/dbraw/zinc/23/18/81/601231881.db2.gz NVMDKXNZLOQLFQ-UHFFFAOYSA-N -2 0 392.433 2.631 20 0 GFADRL C[C@H](CNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)COCc1ccccc1 ZINC000390420045 601232154 /nfs/dbraw/zinc/23/21/54/601232154.db2.gz PPXJLZPDRVPJIK-GFCCVEGCSA-N -2 0 399.415 2.794 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2cccc(N3CCCCC3=O)c2)cc1C(=O)[O-] ZINC000833030535 601232183 /nfs/dbraw/zinc/23/21/83/601232183.db2.gz ZXWDYRHSOAOIFS-UHFFFAOYSA-N -2 0 378.406 2.604 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc([S@@](=O)C(F)(F)F)cc2)cs1 ZINC000751215367 601250586 /nfs/dbraw/zinc/25/05/86/601250586.db2.gz LCRFVPKVOHOVDJ-HSZRJFAPSA-N -2 0 399.393 2.875 20 0 GFADRL NC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c1 ZINC000013265643 601318962 /nfs/dbraw/zinc/31/89/62/601318962.db2.gz KZUARCKBIFJHCQ-UHFFFAOYSA-N -2 0 389.216 2.591 20 0 GFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(-c2nccn2C)c1 ZINC000832208804 601360449 /nfs/dbraw/zinc/36/04/49/601360449.db2.gz UREKCOQISZYKBN-UHFFFAOYSA-N -2 0 387.417 2.595 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cn2)ccc1F ZINC000738678806 601361211 /nfs/dbraw/zinc/36/12/11/601361211.db2.gz MYFXLMSUVGAJSM-UHFFFAOYSA-N -2 0 379.413 2.710 20 0 GFADRL COc1ccc(C)nc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000832264435 601362873 /nfs/dbraw/zinc/36/28/73/601362873.db2.gz CYCWIDLCWSXYCQ-UHFFFAOYSA-N -2 0 390.339 2.916 20 0 GFADRL O=C([O-])c1nc(Cl)ccc1S(=O)(=O)[N-]c1cccc(OC(F)F)c1 ZINC000833344688 601384678 /nfs/dbraw/zinc/38/46/78/601384678.db2.gz FRQKZSPDCRCPHB-UHFFFAOYSA-N -2 0 378.740 2.835 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)CCC2 ZINC000831945502 601388730 /nfs/dbraw/zinc/38/87/30/601388730.db2.gz JCTFCCIWZJRMFF-UHFFFAOYSA-N -2 0 381.431 2.775 20 0 GFADRL Cc1oc(C)c(S(=O)(=O)[N-]c2cc(C)c(Br)cn2)c1C(=O)[O-] ZINC000317154167 601395955 /nfs/dbraw/zinc/39/59/55/601395955.db2.gz CILDYYKJOJDSDA-UHFFFAOYSA-N -2 0 389.227 2.861 20 0 GFADRL O=C([O-])[C@@H](Cc1c[nH]c2ccc(Br)cc12)[N-]C(=O)C(F)(F)F ZINC000833164694 601442834 /nfs/dbraw/zinc/44/28/34/601442834.db2.gz VLIKCGHJXLDHFY-SNVBAGLBSA-N -2 0 379.132 2.605 20 0 GFADRL CC(C)Cn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cn1 ZINC000266618105 601484798 /nfs/dbraw/zinc/48/47/98/601484798.db2.gz SOFUQHAFNUVZBT-UHFFFAOYSA-N -2 0 375.809 2.831 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(-c3noc(C4CC4)n3)c2)o1 ZINC000833323582 601492830 /nfs/dbraw/zinc/49/28/30/601492830.db2.gz OTJBQUUQJJCEMC-UHFFFAOYSA-N -2 0 375.362 2.706 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2nnc(Cc3ccc(F)cc3)s2)cs1 ZINC000833306140 601503966 /nfs/dbraw/zinc/50/39/66/601503966.db2.gz GMYRJWPCIMTMCM-UHFFFAOYSA-N -2 0 399.450 2.829 20 0 GFADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2nnc(Cc3ccccc3F)s2)c1 ZINC000833344237 601504345 /nfs/dbraw/zinc/50/43/45/601504345.db2.gz HQEKYBROYAANSR-UHFFFAOYSA-N -2 0 399.450 2.829 20 0 GFADRL CC[C@H](NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC000828978559 601751300 /nfs/dbraw/zinc/75/13/00/601751300.db2.gz VDOGTCHFCHJNSM-AWEZNQCLSA-N -2 0 396.852 2.734 20 0 GFADRL O=C([O-])C[C@H]1CN(C(=O)c2nn(-c3ccc(F)cc3)cc2[O-])c2ccccc21 ZINC000833219571 601757955 /nfs/dbraw/zinc/75/79/55/601757955.db2.gz WNEVNELOXQQBEK-LBPRGKRZSA-N -2 0 381.363 2.936 20 0 GFADRL CC(=C([O-])c1[nH]c(C)c(C(=O)[O-])c1C)S(=O)(=O)Cc1nc(C)c(C)s1 ZINC000833000562 601767016 /nfs/dbraw/zinc/76/70/16/601767016.db2.gz LRVXSNUKMMGYFP-NSHDSACASA-N -2 0 384.479 2.589 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2csnc2C(=O)[O-])n(-c2ccc(Cl)cc2)n1 ZINC000832900212 601767291 /nfs/dbraw/zinc/76/72/91/601767291.db2.gz TVJFYISERQHLEV-UHFFFAOYSA-N -2 0 398.853 2.790 20 0 GFADRL CN(C)c1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000830634820 601768224 /nfs/dbraw/zinc/76/82/24/601768224.db2.gz CTNXZPVDQNDXPI-UHFFFAOYSA-N -2 0 395.384 2.727 20 0 GFADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ccc(OC(F)F)c(Cl)c1 ZINC000833345849 601831430 /nfs/dbraw/zinc/83/14/30/601831430.db2.gz ZVEQGBYWZZDEHG-UHFFFAOYSA-N -2 0 384.769 2.897 20 0 GFADRL O=C([O-])c1ccc(NS(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)cc1Cl ZINC000833320770 601838409 /nfs/dbraw/zinc/83/84/09/601838409.db2.gz IEZJXBLHKOQMQU-UHFFFAOYSA-N -2 0 391.735 2.815 20 0 GFADRL COC(=O)c1cc(C(C)C)ccc1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000831242475 601838654 /nfs/dbraw/zinc/83/86/54/601838654.db2.gz FQKQUGJTFQMKID-UHFFFAOYSA-N -2 0 384.435 2.552 20 0 GFADRL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccc(N2CCCCC2)cn1 ZINC000833294976 601848098 /nfs/dbraw/zinc/84/80/98/601848098.db2.gz PQPQZLCLIQAWCE-UHFFFAOYSA-N -2 0 379.413 2.710 20 0 GFADRL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2OC(F)F)cc1 ZINC000470447382 601854966 /nfs/dbraw/zinc/85/49/66/601854966.db2.gz YRUBSDBXLQJGOC-UHFFFAOYSA-N -2 0 391.323 2.691 20 0 GFADRL COC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000831385044 601856308 /nfs/dbraw/zinc/85/63/08/601856308.db2.gz KQQRYQXLVUQAFZ-UHFFFAOYSA-N -2 0 387.772 2.765 20 0 GFADRL COc1ccc(NS(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)c(C(=O)[O-])c1 ZINC000507620268 602112602 /nfs/dbraw/zinc/11/26/02/602112602.db2.gz JROOEXSTLPDWNU-UHFFFAOYSA-N -2 0 379.390 2.509 20 0 GFADRL COc1ccsc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1OC(F)F ZINC000832643211 602114613 /nfs/dbraw/zinc/11/46/13/602114613.db2.gz URCNCIMMNGLFPF-UHFFFAOYSA-N -2 0 379.362 2.857 20 0 GFADRL Cc1nc(CC(C)C)c([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)s1 ZINC000832998647 602119576 /nfs/dbraw/zinc/11/95/76/602119576.db2.gz LFGYFMGFBRBDJP-UHFFFAOYSA-N -2 0 384.479 2.914 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cc(F)c(OC)cc1F ZINC000832011377 602122427 /nfs/dbraw/zinc/12/24/27/602122427.db2.gz VTIRFTKQRRZCND-UHFFFAOYSA-N -2 0 379.362 2.543 20 0 GFADRL O=C([O-])COc1ccc([N-]S(=O)(=O)c2c[nH]c3ncccc23)c2ccccc12 ZINC000833259755 602124789 /nfs/dbraw/zinc/12/47/89/602124789.db2.gz VRJNXDZQMMGZMP-UHFFFAOYSA-N -2 0 397.412 2.980 20 0 GFADRL NC(=O)c1sccc1[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000833088555 602154529 /nfs/dbraw/zinc/15/45/29/602154529.db2.gz ZKBAHXPULZOOIA-UHFFFAOYSA-N -2 0 382.444 2.561 20 0 GFADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000739545096 602243733 /nfs/dbraw/zinc/24/37/33/602243733.db2.gz QHYIHDLOAHNXTD-UHFFFAOYSA-N -2 0 390.417 2.789 20 0 GFADRL Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]C(=O)CCC(C)(C)NC(=O)[O-] ZINC000740109266 602926713 /nfs/dbraw/zinc/92/67/13/602926713.db2.gz GOHWDPDXEUOZKZ-UHFFFAOYSA-N -2 0 384.498 2.924 20 0 GFADRL O=C([O-])NC[C@@H]1CCN(C(=O)c2cc(Br)cc(Cl)c2[O-])C1 ZINC000832588490 603544778 /nfs/dbraw/zinc/54/47/78/603544778.db2.gz BSIMLRDSYFGTGU-ZETCQYMHSA-N -2 0 377.622 2.538 20 0 GFADRL COc1cc(NC(=O)c2cc(=O)n(-c3ccc(C)cc3)[n-]2)ccc1NC(=O)[O-] ZINC000829198368 603666517 /nfs/dbraw/zinc/66/65/17/603666517.db2.gz UUGMRPGEZFXKKT-UHFFFAOYSA-N -2 0 382.376 2.825 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)[C@H](NC(=O)[O-])c2ccccc2)cc1C ZINC000830415141 604209380 /nfs/dbraw/zinc/20/93/80/604209380.db2.gz QANNFTSGSTVIBU-PBHICJAKSA-N -2 0 390.461 2.753 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]C(=O)C[C@@H](C)[C@H]2CCCN(C(=O)[O-])C2)c(C)s1 ZINC000830133531 604415329 /nfs/dbraw/zinc/41/53/29/604415329.db2.gz WDPUVKNUUZMYNK-MFKMUULPSA-N -2 0 388.511 2.586 20 0 GFADRL CCc1nc(-c2ccccc2[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)n[nH]1 ZINC000507917900 604537277 /nfs/dbraw/zinc/53/72/77/604537277.db2.gz DKHYJOYQGIZIOA-UHFFFAOYSA-N -2 0 386.433 2.842 20 0 GFADRL Cc1cc(Br)cnc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000390713512 604620679 /nfs/dbraw/zinc/62/06/79/604620679.db2.gz JNFNXTSLUYKCRU-UHFFFAOYSA-N -2 0 385.239 2.960 20 0 GFADRL Cc1cc(NS(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)ccc1C(=O)[O-] ZINC000767735041 604632018 /nfs/dbraw/zinc/63/20/18/604632018.db2.gz CDSQXISUHLAAMP-UHFFFAOYSA-N -2 0 387.772 2.985 20 0 GFADRL CN(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)cc1 ZINC000833685227 604634381 /nfs/dbraw/zinc/63/43/81/604634381.db2.gz IGGDJVMUSGTESI-UHFFFAOYSA-N -3 0 386.332 2.578 20 0 GFADRL Cc1noc([N-]S(=O)(=O)c2ccc(Br)c(C(=O)[O-])c2)c1C ZINC000115917015 604771729 /nfs/dbraw/zinc/77/17/29/604771729.db2.gz UWPGHUXLFHJGFM-UHFFFAOYSA-N -2 0 375.200 2.553 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1[nH]nc(-c2ccc(C)o2)c1C ZINC000831939365 604808263 /nfs/dbraw/zinc/80/82/63/604808263.db2.gz KAOZIACYIVSYIL-UHFFFAOYSA-N -2 0 397.434 2.856 20 0 GFADRL CC(C)Oc1ncccc1[N-]S(=O)(=O)c1cccc2c1ccnc2C(=O)[O-] ZINC000833508020 605151460 /nfs/dbraw/zinc/15/14/60/605151460.db2.gz RNFHOIUZOUBIOS-UHFFFAOYSA-N -2 0 387.417 2.916 20 0 GFADRL Cc1cc(F)c(S(=O)(=O)N(CCC(=O)[O-])c2cccc(F)c2)cc1C(=O)[O-] ZINC000833744983 605169590 /nfs/dbraw/zinc/16/95/90/605169590.db2.gz WTYDNNQWDRTUQD-UHFFFAOYSA-N -2 0 399.371 2.641 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2ccc(C)cc2C(=O)[O-])c(OC)c1OC ZINC000833733110 605187803 /nfs/dbraw/zinc/18/78/03/605187803.db2.gz GOBBUYJSMCQECW-UHFFFAOYSA-N -2 0 381.406 2.520 20 0 GFADRL CCC(CC)n1nc(C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)cc1C ZINC000833641602 605189076 /nfs/dbraw/zinc/18/90/76/605189076.db2.gz IKVOVMKEDBYXLQ-UHFFFAOYSA-N -2 0 393.465 2.511 20 0 GFADRL COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cccc(NC(=O)[O-])c2)cc1OC ZINC000833732040 605191089 /nfs/dbraw/zinc/19/10/89/605191089.db2.gz ILYJSPDUDMUPHK-CQSZACIVSA-N -2 0 388.376 2.740 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])cnc1Br ZINC000235900587 605262455 /nfs/dbraw/zinc/26/24/55/605262455.db2.gz LSCKICDLEAWNDG-UHFFFAOYSA-N -2 0 377.241 2.713 20 0 GFADRL O=C([O-])CC[C@H]1CCCN(C(=O)C2(c3ccccc3)CCN(C(=O)[O-])CC2)C1 ZINC000834060825 605307381 /nfs/dbraw/zinc/30/73/81/605307381.db2.gz XUQSHJQMGAKDJK-MRXNPFEDSA-N -2 0 388.464 2.802 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2C(C)=O)c(OC)c1C(=O)[O-] ZINC000833734824 605334321 /nfs/dbraw/zinc/33/43/21/605334321.db2.gz ZPEXEYQRSZQDJU-UHFFFAOYSA-N -2 0 397.380 2.545 20 0 GFADRL Cc1cc(C(=O)[N-]S(=O)(=O)N2CCCc3ccccc32)ccc1NC(=O)[O-] ZINC000829961308 605349945 /nfs/dbraw/zinc/34/99/45/605349945.db2.gz FFHTXUPGVSBMJK-UHFFFAOYSA-N -2 0 389.433 2.512 20 0 GFADRL CCOC(=O)N(C)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2CC)cc1 ZINC000833659032 605418594 /nfs/dbraw/zinc/41/85/94/605418594.db2.gz OXIPBYWBQLTMTP-UHFFFAOYSA-N -2 0 396.421 2.934 20 0 GFADRL CCc1nc(-c2ccccc2[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2CC)n[nH]1 ZINC000833676415 605420946 /nfs/dbraw/zinc/42/09/46/605420946.db2.gz KPGUKQVBXRDOQV-UHFFFAOYSA-N -2 0 390.421 2.689 20 0 GFADRL O=C([O-])N[C@H](CC(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F)c1ccccc1 ZINC000834121215 606049923 /nfs/dbraw/zinc/04/99/23/606049923.db2.gz GLTZLQHKERLWPA-ZBFHGGJFSA-N -2 0 378.331 2.606 20 0 GFADRL Cn1nc([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1C(=O)[O-] ZINC000821089674 660315259 /nfs/dbraw/zinc/31/52/59/660315259.db2.gz MCOAXIIRWDGRLI-UHFFFAOYSA-N -2 0 383.735 2.591 20 0 GFADRL CCOC(=O)/C=C/c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC000013278682 654503953 /nfs/dbraw/zinc/50/39/53/654503953.db2.gz VBRJPFWRRZCYCD-VMPITWQZSA-N -2 0 381.431 2.823 20 0 GFADRL COc1ccc(NC(C)=O)c([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c1 ZINC000057121837 654801155 /nfs/dbraw/zinc/80/11/55/654801155.db2.gz YEBDJSDTFKUZPQ-UHFFFAOYSA-N -2 0 384.435 2.523 20 0 GFADRL COc1c(Cl)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000057123415 654801232 /nfs/dbraw/zinc/80/12/32/654801232.db2.gz GWUGYROVARGRJA-UHFFFAOYSA-N -3 0 385.781 2.546 20 0 GFADRL COCCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)cc1Cl ZINC000266813108 654895091 /nfs/dbraw/zinc/89/50/91/654895091.db2.gz WPQQFSOAKUEOGS-UHFFFAOYSA-N -2 0 389.813 2.766 20 0 GFADRL CCc1ccc(S(=O)(=O)[N-]c2cnn(CC(F)(F)F)c2)cc1C(=O)[O-] ZINC000137520021 655040706 /nfs/dbraw/zinc/04/07/06/655040706.db2.gz VGWRNPZQGXFXLI-UHFFFAOYSA-N -2 0 377.344 2.507 20 0 GFADRL CCc1noc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1Br ZINC000164896154 655138546 /nfs/dbraw/zinc/13/85/46/655138546.db2.gz MLMDVNNOPBPSEF-UHFFFAOYSA-N -2 0 395.256 2.868 20 0 GFADRL N#Cc1ccc(Cl)c(S(=O)(=O)[N-]NC(=O)c2ccc(Cl)cc2F)c1 ZINC000187010674 655372460 /nfs/dbraw/zinc/37/24/60/655372460.db2.gz RDACDFQXWSRUDH-UHFFFAOYSA-N -2 0 388.207 2.627 20 0 GFADRL Cc1nc(Br)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000318818351 655381234 /nfs/dbraw/zinc/38/12/34/655381234.db2.gz DQIQNYRPGWQWHF-UHFFFAOYSA-N -2 0 389.202 2.791 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cnc1Br ZINC000319515139 655381758 /nfs/dbraw/zinc/38/17/58/655381758.db2.gz KSFTYUHDLABRHF-UHFFFAOYSA-N -2 0 389.202 2.791 20 0 GFADRL CO[C@@H](CS(=O)(=O)[N-]c1cc(Cl)cc(Br)c1[O-])C1CC1 ZINC000576040669 655442371 /nfs/dbraw/zinc/44/23/71/655442371.db2.gz NUGTZZUIQYFZFN-NSHDSACASA-N -2 0 384.679 2.975 20 0 GFADRL CNC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Cl)c1 ZINC000753769312 655858238 /nfs/dbraw/zinc/85/82/38/655858238.db2.gz JROVNPAEGZMLOI-UHFFFAOYSA-N -2 0 382.825 2.507 20 0 GFADRL COc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2SC)cnc1Cl ZINC000767441490 656203031 /nfs/dbraw/zinc/20/30/31/656203031.db2.gz BRLCDDYNCOGMIB-UHFFFAOYSA-N -2 0 388.854 2.965 20 0 GFADRL O=C([O-])c1ccc(Br)c(S(=O)(=O)[N-]c2cc(O)cc(F)c2)c1 ZINC000768056284 656231510 /nfs/dbraw/zinc/23/15/10/656231510.db2.gz UIIOPUMOJLNIBO-UHFFFAOYSA-N -2 0 390.186 2.793 20 0 GFADRL O=S(=O)([N-]N=c1c(F)c(F)[n-]c(F)c1F)c1c(Cl)ccnc1Cl ZINC000777912825 656841622 /nfs/dbraw/zinc/84/16/22/656841622.db2.gz FGOZFUSSFCRDOG-UHFFFAOYSA-N -2 0 391.133 2.645 20 0 GFADRL Cc1onc(OC(F)F)c1[N-]S(=O)(=O)c1cc(C)c(C)c(C(=O)[O-])c1 ZINC000788132098 657655545 /nfs/dbraw/zinc/65/55/45/657655545.db2.gz PNRANGVGKPXSGF-UHFFFAOYSA-N -2 0 376.337 2.700 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(OC(F)F)nc2)ccc1Cl ZINC000802722926 659496451 /nfs/dbraw/zinc/49/64/51/659496451.db2.gz QKCQFJYCFJHXPI-UHFFFAOYSA-N -2 0 378.740 2.835 20 0 GFADRL CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)Nc1cc(Cl)c([O-])cc1F ZINC000805262033 659762735 /nfs/dbraw/zinc/76/27/35/659762735.db2.gz UXOAOQFWJSWRIL-UHFFFAOYSA-N -2 0 376.768 2.948 20 0 GFADRL O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1ccc(F)c(Cl)c1 ZINC000852733736 661872581 /nfs/dbraw/zinc/87/25/81/661872581.db2.gz XRXNJZGSPAHKJL-NWDGAFQWSA-N -2 0 382.741 2.575 20 0 GFADRL O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)c1cc(Br)c([O-])c(Br)c1 ZINC000868442250 662605242 /nfs/dbraw/zinc/60/52/42/662605242.db2.gz DTRWHQIEJQYFJZ-KNVOCYPGSA-N -2 0 393.031 2.510 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCOC3=O)cc2)sc1C(=O)[O-] ZINC000918168491 664496027 /nfs/dbraw/zinc/49/60/27/664496027.db2.gz UZSCIOQERKHKTP-UHFFFAOYSA-N -2 0 382.419 2.512 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2ccc(-c3n[nH]c(C)n3)cc2)sc1C(=O)[O-] ZINC000050534996 551161237 /nfs/dbraw/zinc/16/12/37/551161237.db2.gz DIFSYIKGIOODLE-UHFFFAOYSA-N -2 0 378.435 2.649 20 0 GFADRL Cn1cc(S(=O)(=O)[N-]c2ccc(Br)c(Cl)c2)cc1C(=O)[O-] ZINC000160369863 551579262 /nfs/dbraw/zinc/57/92/62/551579262.db2.gz BJCCOYWXZJWLPH-UHFFFAOYSA-N -2 0 393.646 2.940 20 0 GFADRL CC(C)(C)NC(=O)c1cccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000298864105 563368821 /nfs/dbraw/zinc/36/88/21/563368821.db2.gz QGBGVAHAMWEXOT-UHFFFAOYSA-N -2 0 382.463 2.775 20 0 GFADRL CC(C)(C)NC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000298864203 563368881 /nfs/dbraw/zinc/36/88/81/563368881.db2.gz QQOZKQMDYHHRHH-UHFFFAOYSA-N -2 0 382.463 2.775 20 0 GFADRL O=C([O-])c1cc([N-]S(=O)(=O)c2cccs2)ccc1N1CCSCC1 ZINC000299526496 563385931 /nfs/dbraw/zinc/38/59/31/563385931.db2.gz MSKSXWQJRIGOFR-UHFFFAOYSA-N -2 0 384.504 2.800 20 0 GFADRL COc1ccccc1S(=O)(=O)[N-]c1cc(Br)cc(C(=O)[O-])c1 ZINC000317123002 563442401 /nfs/dbraw/zinc/44/24/01/563442401.db2.gz CTBBEGPUQRYVHE-UHFFFAOYSA-N -2 0 386.223 2.957 20 0 GFADRL CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)c(F)c1 ZINC000326662007 563454966 /nfs/dbraw/zinc/45/49/66/563454966.db2.gz FQSNWPJVPOTAJB-UHFFFAOYSA-N -2 0 386.788 2.937 20 0 GFADRL CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)ccc1F ZINC000327784927 563459840 /nfs/dbraw/zinc/45/98/40/563459840.db2.gz YXYWHTVHBUTKOL-UHFFFAOYSA-N -2 0 386.788 2.937 20 0 GFADRL O=C([O-])C[C@@H](CCNS(=O)(=O)c1cc(F)cc(Cl)c1)C(F)(F)F ZINC000285195735 563508424 /nfs/dbraw/zinc/50/84/24/563508424.db2.gz QYBCPABBIDVKOP-SSDOTTSWSA-N -2 0 377.743 2.801 20 0 GFADRL O=c1[nH]cc(S(=O)(=O)[N-]c2cc(Cl)cc(Br)c2[O-])s1 ZINC000436475200 563671098 /nfs/dbraw/zinc/67/10/98/563671098.db2.gz GHCJNLZEEADKHZ-UHFFFAOYSA-N -2 0 385.648 2.771 20 0 GFADRL Cc1cc(Cl)cc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(F)c2)c1O ZINC000438769842 563710473 /nfs/dbraw/zinc/71/04/73/563710473.db2.gz IEMBWLKGMNALJJ-UHFFFAOYSA-N -2 0 389.788 2.757 20 0 GFADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(-c3ncon3)c2)c1 ZINC000363593720 563727576 /nfs/dbraw/zinc/72/75/76/563727576.db2.gz QHNYMPMTQVEZOO-UHFFFAOYSA-N -2 0 379.781 2.889 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(Br)ccc2O)c(F)c1 ZINC000443384915 563804209 /nfs/dbraw/zinc/80/42/09/563804209.db2.gz LAHAOUKTBFDLSE-UHFFFAOYSA-N -2 0 390.186 2.793 20 0 GFADRL O=c1[n-]nnn1-c1ccc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1 ZINC000443412058 563804631 /nfs/dbraw/zinc/80/46/31/563804631.db2.gz YTTJDMSKDNYHKD-UHFFFAOYSA-N -2 0 392.249 2.537 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)nn1CC(F)(F)F ZINC000416961463 563864206 /nfs/dbraw/zinc/86/42/06/563864206.db2.gz SGUFHFZWNMARLI-UHFFFAOYSA-N -2 0 377.344 2.561 20 0 GFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)cc1OC ZINC000447789972 563886544 /nfs/dbraw/zinc/88/65/44/563886544.db2.gz XOAIALHHCDJEGD-UHFFFAOYSA-N -2 0 385.825 2.785 20 0 GFADRL O=C([O-])c1ccc(OC(F)(F)F)c([N-]S(=O)(=O)C[C@@H]2CCCCO2)c1 ZINC000471963515 564209188 /nfs/dbraw/zinc/20/91/88/564209188.db2.gz JEKRWCQNDWQMOP-JTQLQIEISA-N -2 0 383.344 2.594 20 0 GFADRL COc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c(C(=O)[O-])c1 ZINC000507613586 564234166 /nfs/dbraw/zinc/23/41/66/564234166.db2.gz SIOHEMDAKDPCTD-UHFFFAOYSA-N -2 0 385.781 2.546 20 0 GFADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000507919363 564248405 /nfs/dbraw/zinc/24/84/05/564248405.db2.gz GLXNMXANGARDOQ-UHFFFAOYSA-N -2 0 379.287 2.751 20 0 GFADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000512757338 564410458 /nfs/dbraw/zinc/41/04/58/564410458.db2.gz IQQZZNNNFBVMJG-UHFFFAOYSA-N -3 0 387.772 2.985 20 0 GFADRL Cc1noc2ncc([N-]S(=O)(=O)c3cc(Cl)cc(C(=O)[O-])c3C)cc12 ZINC000479433489 564439893 /nfs/dbraw/zinc/43/98/93/564439893.db2.gz BRXPDEJBUWRSJX-UHFFFAOYSA-N -2 0 381.797 2.992 20 0 GFADRL CC(C)(C)[C@@H]([N-]S(=O)(=O)c1cc(F)c(Br)cc1F)C(=O)[O-] ZINC000547874315 564515053 /nfs/dbraw/zinc/51/50/53/564515053.db2.gz XKYQTKXUZOPNDR-JTQLQIEISA-N -2 0 386.214 2.505 20 0 GFADRL CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2SC)o1 ZINC000481944145 564528731 /nfs/dbraw/zinc/52/87/31/564528731.db2.gz GXFJGBOWENALML-UHFFFAOYSA-N -2 0 385.419 2.677 20 0 GFADRL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(Br)cn2)ccc1Cl ZINC000548198631 564535854 /nfs/dbraw/zinc/53/58/54/564535854.db2.gz AZLQLCZBAHZHSS-UHFFFAOYSA-N -2 0 391.630 2.997 20 0 GFADRL O=C([O-])[C@]1(NS(=O)(=O)c2cc3cc(Cl)ccc3s2)CCSC1 ZINC000517736088 564541367 /nfs/dbraw/zinc/54/13/67/564541367.db2.gz GJZWIDMZOIYJGU-ZDUSSCGKSA-N -2 0 377.896 2.793 20 0 GFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(Br)cn2)cc1Cl ZINC000548526896 564555214 /nfs/dbraw/zinc/55/52/14/564555214.db2.gz OGZVYOABVQXSPQ-UHFFFAOYSA-N -2 0 391.630 2.997 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc3c(c2)[nH]cc3C(=O)[O-])cs1 ZINC000484807237 564599787 /nfs/dbraw/zinc/59/97/87/564599787.db2.gz WUMXLXPUAVSFCR-UHFFFAOYSA-N -2 0 380.403 2.515 20 0 GFADRL Cc1noc(C)c1S(=O)(=O)[N-]c1cc(Br)c(C)c(C(=O)[O-])c1 ZINC000551474622 564651043 /nfs/dbraw/zinc/65/10/43/564651043.db2.gz CGWRCPQXLNYARF-UHFFFAOYSA-N -2 0 389.227 2.861 20 0 GFADRL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2[nH]c(=O)oc21 ZINC000581064284 564786173 /nfs/dbraw/zinc/78/61/73/564786173.db2.gz IVQUHVFVLUCJJH-UHFFFAOYSA-N -2 0 382.781 2.994 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2cc(Br)cc(C(=O)[O-])c2N)c(C)o1 ZINC000555529819 564796098 /nfs/dbraw/zinc/79/60/98/564796098.db2.gz RCTJVBGNQKXPCK-UHFFFAOYSA-N -2 0 389.227 2.740 20 0 GFADRL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2ccc(Br)cc2O)c1 ZINC000530667999 564891401 /nfs/dbraw/zinc/89/14/01/564891401.db2.gz GCJOYQXTCICPRP-UHFFFAOYSA-N -2 0 390.186 2.793 20 0 GFADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2OC(F)F)cc1 ZINC000470445575 565046425 /nfs/dbraw/zinc/04/64/25/565046425.db2.gz WNLSMVDNYUJVFW-UHFFFAOYSA-N -2 0 375.324 2.855 20 0 GFADRL Cc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)c2)n1 ZINC000614857290 565136570 /nfs/dbraw/zinc/13/65/70/565136570.db2.gz VVJQXEOKTFTNEB-UHFFFAOYSA-N -2 0 379.419 2.914 20 0 GFADRL COC(=O)c1[nH]c(C)cc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C ZINC000611198501 566120968 /nfs/dbraw/zinc/12/09/68/566120968.db2.gz NFMGOTBPSUWQTB-UHFFFAOYSA-N -2 0 386.813 2.571 20 0 GFADRL COc1ccccc1C[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000738125883 599704176 /nfs/dbraw/zinc/70/41/76/599704176.db2.gz MYQRUCJMAHOBEV-LLVKDONJSA-N -2 0 397.474 2.529 20 0 GFADRL CCOc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2C)cc1C(=O)[O-] ZINC000737211156 599747388 /nfs/dbraw/zinc/74/73/88/599747388.db2.gz WZEPVBKCWCIJGV-UHFFFAOYSA-N -2 0 379.390 2.591 20 0 GFADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)Cc2c[nH]c3cc(Cl)ccc23)c1 ZINC000739339204 599793855 /nfs/dbraw/zinc/79/38/55/599793855.db2.gz SEZZWOTUFIPVRW-UHFFFAOYSA-N -2 0 392.820 2.567 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ncc(Cc3ccccc3F)s2)o1 ZINC000740185767 599802799 /nfs/dbraw/zinc/80/27/99/599802799.db2.gz DVSPESFBNPRFFB-UHFFFAOYSA-N -2 0 382.394 2.965 20 0 GFADRL CCCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C(=O)OC ZINC000737051624 599813046 /nfs/dbraw/zinc/81/30/46/599813046.db2.gz WQZZIURWDXPJOS-UHFFFAOYSA-N -2 0 383.447 2.986 20 0 GFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)c(C(=O)[O-])s1 ZINC000737679574 599813486 /nfs/dbraw/zinc/81/34/86/599813486.db2.gz BGMNJWIACIDHAK-UHFFFAOYSA-N -2 0 393.801 2.826 20 0 GFADRL O=C([O-])CCc1ccc([N-]S(=O)(=O)c2c(Cl)nc3sccn32)cc1 ZINC000739763922 599854114 /nfs/dbraw/zinc/85/41/14/599854114.db2.gz LCWXRIJYLIKRLD-UHFFFAOYSA-N -2 0 385.854 2.867 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])ccc1C(=O)NC(C)C ZINC000738463824 599908726 /nfs/dbraw/zinc/90/87/26/599908726.db2.gz WDWXGZITHOTBER-UHFFFAOYSA-N -2 0 394.424 2.771 20 0 GFADRL COC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1C ZINC000728510622 599926410 /nfs/dbraw/zinc/92/64/10/599926410.db2.gz IYPLOURXEQUGBZ-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL O=C([O-])c1sccc1S(=O)(=O)[N-]c1cccc(-c2n[nH]c(C3CC3)n2)c1 ZINC000740288724 599927223 /nfs/dbraw/zinc/92/72/23/599927223.db2.gz GISBDMPKFNIXBM-UHFFFAOYSA-N -2 0 390.446 2.910 20 0 GFADRL CCNC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000466293790 600004572 /nfs/dbraw/zinc/00/45/72/600004572.db2.gz QYWCWXVEZLBNHM-UHFFFAOYSA-N -2 0 396.852 2.897 20 0 GFADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cnc(-c2cccc(O)c2)nc1 ZINC000466271781 600026330 /nfs/dbraw/zinc/02/63/30/600026330.db2.gz NVIIIUOIMSMJDJ-UHFFFAOYSA-N -2 0 385.401 2.657 20 0 GFADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnc(-c2cccc(O)c2)nc1 ZINC000057783882 600026467 /nfs/dbraw/zinc/02/64/67/600026467.db2.gz ONGMGGLOJCXVSQ-UHFFFAOYSA-N -2 0 385.401 2.657 20 0 GFADRL Cc1ccccc1C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000738757250 600044974 /nfs/dbraw/zinc/04/49/74/600044974.db2.gz YTSPHDUKGFAVHF-UHFFFAOYSA-N -2 0 387.335 2.831 20 0 GFADRL Cc1ccsc1C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000738799889 600045162 /nfs/dbraw/zinc/04/51/62/600045162.db2.gz LLAYTYKSYQRVBU-UHFFFAOYSA-N -2 0 393.364 2.892 20 0 GFADRL COc1ccc(OC(C)C)c([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)c1 ZINC000738044484 600057344 /nfs/dbraw/zinc/05/73/44/600057344.db2.gz PCPJPNYYTFRCGD-UHFFFAOYSA-N -2 0 381.406 2.687 20 0 GFADRL CC(C)CNC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000736440626 600092926 /nfs/dbraw/zinc/09/29/26/600092926.db2.gz RNNBWDXZNYDFSF-UHFFFAOYSA-N -2 0 394.424 2.711 20 0 GFADRL O=C([O-])CCc1ccc(S(=O)(=O)N2CCCc3cc(C(=O)[O-])ccc32)cc1 ZINC000551478154 600169725 /nfs/dbraw/zinc/16/97/25/600169725.db2.gz ZWAQECUMBOUVLB-UHFFFAOYSA-N -2 0 389.429 2.544 20 0 GFADRL COCc1csc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])n1 ZINC000737835643 600204035 /nfs/dbraw/zinc/20/40/35/600204035.db2.gz IMZOFOHKXTUPQX-UHFFFAOYSA-N -2 0 396.368 2.807 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(F)c2)c(F)cc1F ZINC000740089698 600234222 /nfs/dbraw/zinc/23/42/22/600234222.db2.gz INLKXNRDOQBWDH-UHFFFAOYSA-N -2 0 397.334 2.789 20 0 GFADRL Cc1ccccc1-n1nccc1[N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000738754544 600244606 /nfs/dbraw/zinc/24/46/06/600244606.db2.gz MAJNTCPXHBLALW-UHFFFAOYSA-N -2 0 375.381 2.819 20 0 GFADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2nc(CN3CCCCC3)cs2)cc1 ZINC000739890249 600245098 /nfs/dbraw/zinc/24/50/98/600245098.db2.gz XXLAJDHQJYFCPU-UHFFFAOYSA-N -2 0 395.506 2.557 20 0 GFADRL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Br)cc2F)n1 ZINC000738736003 600247262 /nfs/dbraw/zinc/24/72/62/600247262.db2.gz GURNLHWEGHFUDJ-UHFFFAOYSA-N -2 0 389.202 2.791 20 0 GFADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)CCc2cc(Cl)cs2)cc1 ZINC000739251052 600352665 /nfs/dbraw/zinc/35/26/65/600352665.db2.gz FHILTUUFUXYNOL-UHFFFAOYSA-N -2 0 387.866 2.679 20 0 GFADRL O=C([O-])c1sc2ccccc2c1CNC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000739436501 600362632 /nfs/dbraw/zinc/36/26/32/600362632.db2.gz OUIBNMXHBGNOMK-UHFFFAOYSA-N -2 0 395.396 2.873 20 0 GFADRL C/C(=C\C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)c1cccc(F)c1 ZINC000736119811 600421150 /nfs/dbraw/zinc/42/11/50/600421150.db2.gz CIWDRBQDDAFORQ-FMIVXFBMSA-N -2 0 377.393 2.573 20 0 GFADRL O=C([O-])c1ccnc(NC(=O)c2nn(-c3ccccc3C(F)(F)F)cc2[O-])c1 ZINC000740248524 600452502 /nfs/dbraw/zinc/45/25/02/600452502.db2.gz CRPXMJJBNBWWFM-UHFFFAOYSA-N -2 0 392.293 2.942 20 0 GFADRL Cc1cc(NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)c(C(=O)[O-])[nH]1 ZINC000738444670 600537883 /nfs/dbraw/zinc/53/78/83/600537883.db2.gz SPJANECYSKJJDZ-UHFFFAOYSA-N -2 0 390.193 2.878 20 0 GFADRL COc1ccc(OC(C)C)c([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)c1 ZINC000518042590 600545061 /nfs/dbraw/zinc/54/50/61/600545061.db2.gz KIUYUCJMSRNVJV-UHFFFAOYSA-N -2 0 395.433 2.990 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2nn(-c3ccccc3)cc2C)cc1C(=O)[O-] ZINC000592714028 600545289 /nfs/dbraw/zinc/54/52/89/600545289.db2.gz ZKDSJGLEEWEPMW-UHFFFAOYSA-N -2 0 387.417 2.688 20 0 GFADRL CCNC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000481952361 600627120 /nfs/dbraw/zinc/62/71/20/600627120.db2.gz UNAHWTFRMXGKPZ-UHFFFAOYSA-N -2 0 396.852 2.518 20 0 GFADRL O=C([O-])CN(c1ccccc1)S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCCC2 ZINC000739799579 600635414 /nfs/dbraw/zinc/63/54/14/600635414.db2.gz YIRFVOHRNCXULV-UHFFFAOYSA-N -2 0 389.429 2.544 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCC3)cc2)cs1 ZINC000298852429 600676440 /nfs/dbraw/zinc/67/64/40/600676440.db2.gz LXFUUGAONWCAGT-UHFFFAOYSA-N -2 0 394.474 2.920 20 0 GFADRL COc1ccccc1-n1cc(S(=O)(=O)[N-]c2cccc(NC(=O)[O-])c2)cn1 ZINC000832582792 600676940 /nfs/dbraw/zinc/67/69/40/600676940.db2.gz IZAGBBFJTXJDNV-UHFFFAOYSA-N -2 0 388.405 2.772 20 0 GFADRL CCCn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Br)cn1 ZINC000743261373 600686420 /nfs/dbraw/zinc/68/64/20/600686420.db2.gz BTWXYSYAYGNMRL-UHFFFAOYSA-N -2 0 388.243 2.555 20 0 GFADRL Cn1c(=O)c2ccc(-c3nc(-c4cccc(C(=O)[O-])c4)no3)cc2[n-]c1=S ZINC000833039041 600694323 /nfs/dbraw/zinc/69/43/23/600694323.db2.gz CLYNKGIEMXUOQW-UHFFFAOYSA-N -2 0 380.385 2.637 20 0 GFADRL Cc1ccc(NC(=O)C(C)(C)C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000264837924 600815327 /nfs/dbraw/zinc/81/53/27/600815327.db2.gz JDAJGAITFUBWEC-UHFFFAOYSA-N -2 0 393.465 2.817 20 0 GFADRL CCC[C@@H]1CCc2nc([N-]S(=O)(=O)c3cc(C(=O)[O-])n(C)c3)sc2C1 ZINC000829265778 600827637 /nfs/dbraw/zinc/82/76/37/600827637.db2.gz AEYUTEWWRUTGNT-SNVBAGLBSA-N -2 0 383.495 2.886 20 0 GFADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C(=O)[O-])cc1C ZINC000737702615 600886832 /nfs/dbraw/zinc/88/68/32/600886832.db2.gz PXUSXBHVIPCBOR-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL CCCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc(OC)c2OC)cc1 ZINC000484986307 600897636 /nfs/dbraw/zinc/89/76/36/600897636.db2.gz JYNMQFXHRIALMU-UHFFFAOYSA-N -2 0 395.433 2.992 20 0 GFADRL Cc1ccc(-n2[n-]c(C(=O)N[C@@H](CCC(=O)[O-])c3ccccc3)cc2=O)cc1 ZINC000832910246 600936652 /nfs/dbraw/zinc/93/66/52/600936652.db2.gz WCEXXKWWMJEULK-KRWDZBQOSA-N -2 0 379.416 2.810 20 0 GFADRL Cc1ccc(-n2[n-]c(C(=O)N[C@H](CCC(=O)[O-])c3ccccc3)cc2=O)cc1 ZINC000832910247 600936733 /nfs/dbraw/zinc/93/67/33/600936733.db2.gz WCEXXKWWMJEULK-QGZVFWFLSA-N -2 0 379.416 2.810 20 0 GFADRL CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000829009282 600937860 /nfs/dbraw/zinc/93/78/60/600937860.db2.gz APZYKGTXVWDDDA-TUAOUCFPSA-N -2 0 389.495 2.625 20 0 GFADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)C[C@@H](Cc1ccccc1)c1ccccc1 ZINC000833228233 600947444 /nfs/dbraw/zinc/94/74/44/600947444.db2.gz JHOCCXZEPMLSPZ-GOSISDBHSA-N -2 0 389.473 2.714 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccnn2Cc2ccc(Cl)c(F)c2)c[nH]1 ZINC000833306185 600979629 /nfs/dbraw/zinc/97/96/29/600979629.db2.gz CSXYXNAFYFGFQT-UHFFFAOYSA-N -2 0 398.803 2.551 20 0 GFADRL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cn2)cc1 ZINC000833259146 600988778 /nfs/dbraw/zinc/98/87/78/600988778.db2.gz KHFZMTMPBMRGHX-UHFFFAOYSA-N -2 0 377.205 2.653 20 0 GFADRL Cc1ccccc1-c1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)n(C)n1 ZINC000832973508 600995808 /nfs/dbraw/zinc/99/58/08/600995808.db2.gz DOVAMQYHXVIGSV-UHFFFAOYSA-N -2 0 377.447 2.956 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc(NC(=O)C2CC2)cc1 ZINC000831944960 601150186 /nfs/dbraw/zinc/15/01/86/601150186.db2.gz CNKFNFPMZASGLO-UHFFFAOYSA-N -2 0 396.446 2.604 20 0 GFADRL CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)N(CC(=O)[O-])c1cccc(F)c1 ZINC000827118384 601205496 /nfs/dbraw/zinc/20/54/96/601205496.db2.gz VGKXBTIXANAHOW-UHFFFAOYSA-N -2 0 395.408 2.927 20 0 GFADRL O=C([O-])c1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1ccn(CC(F)F)n1 ZINC000833312900 601206157 /nfs/dbraw/zinc/20/61/57/601206157.db2.gz ZWSPLMSZRQXLAG-UHFFFAOYSA-N -2 0 399.297 2.666 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2cccc(Oc3cnccn3)c2)cc1C(=O)[O-] ZINC000833030437 601232277 /nfs/dbraw/zinc/23/22/77/601232277.db2.gz WEZOTKSLPWCWJE-UHFFFAOYSA-N -2 0 375.362 2.669 20 0 GFADRL CN(C(=O)[O-])c1ccc(NS(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)cc1 ZINC000830518494 601232526 /nfs/dbraw/zinc/23/25/26/601232526.db2.gz DRIGUIRZCCWZFQ-UHFFFAOYSA-N -2 0 386.332 2.578 20 0 GFADRL O=C([O-])[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000833183216 601235811 /nfs/dbraw/zinc/23/58/11/601235811.db2.gz BMMRQHGLCSMHSI-RKDXNWHRSA-N -2 0 380.249 2.689 20 0 GFADRL Cc1cc(NS(=O)(=O)c2ccc(C(=O)CCC(=O)[O-])cc2)ccc1C(=O)[O-] ZINC000481444435 601249785 /nfs/dbraw/zinc/24/97/85/601249785.db2.gz FZXJZOXQMTZWNI-UHFFFAOYSA-N -2 0 391.401 2.542 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc([S@](=O)C(F)(F)F)cc2)cs1 ZINC000751215368 601250449 /nfs/dbraw/zinc/25/04/49/601250449.db2.gz LCRFVPKVOHOVDJ-QHCPKHFHSA-N -2 0 399.393 2.875 20 0 GFADRL COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)[N-]c2sc(C)nc2C)c1OC ZINC000831972574 601251367 /nfs/dbraw/zinc/25/13/67/601251367.db2.gz LOTYBTBBRYBRSY-AATRIKPKSA-N -2 0 398.462 2.676 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)ccc2O)ccc1Br ZINC000759165238 601251550 /nfs/dbraw/zinc/25/15/50/601251550.db2.gz CYVPEJYELMFMMS-UHFFFAOYSA-N -2 0 390.186 2.793 20 0 GFADRL COCCOc1ccc(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000066586072 601328276 /nfs/dbraw/zinc/32/82/76/601328276.db2.gz RGUSDPYOZSRKFO-UHFFFAOYSA-N -2 0 397.424 2.967 20 0 GFADRL COCCOc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000831774059 601329189 /nfs/dbraw/zinc/32/91/89/601329189.db2.gz LSUPVNBOHDAXRI-WTKPLQERSA-N -2 0 395.408 2.750 20 0 GFADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1cc(C2CC2)nc2ccc(Cl)cc21 ZINC000833228649 601363915 /nfs/dbraw/zinc/36/39/15/601363915.db2.gz SVIQXMTTYUHZQK-UHFFFAOYSA-N -2 0 396.852 2.690 20 0 GFADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C)c(Br)cn1 ZINC000388207231 601395834 /nfs/dbraw/zinc/39/58/34/601395834.db2.gz UAZDJDSFHZBMFP-UHFFFAOYSA-N -2 0 385.239 2.960 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)ncc1Br ZINC000320735834 601395847 /nfs/dbraw/zinc/39/58/47/601395847.db2.gz UDBDBUKTMCSDKP-UHFFFAOYSA-N -2 0 385.239 2.960 20 0 GFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cc(-c3ccncc3)nn2C)c1C ZINC000832868285 601402546 /nfs/dbraw/zinc/40/25/46/601402546.db2.gz LRDMZESLADPTQI-UHFFFAOYSA-N -2 0 386.433 2.598 20 0 GFADRL CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC(C)C)o1 ZINC000484954677 601474840 /nfs/dbraw/zinc/47/48/40/601474840.db2.gz FVNAXKOBGIWWSO-UHFFFAOYSA-N -2 0 397.405 2.743 20 0 GFADRL CC[C@H](NC(=O)c1nn(-c2ccc(Cl)cc2C(F)(F)F)cc1[O-])C(=O)[O-] ZINC000828982960 601761882 /nfs/dbraw/zinc/76/18/82/601761882.db2.gz LASXPPWWKHEESY-VIFPVBQESA-N -2 0 391.733 2.843 20 0 GFADRL CC1CCN(c2cccc([N-]S(=O)(=O)c3csnc3C(=O)[O-])c2)CC1 ZINC000828303195 601769196 /nfs/dbraw/zinc/76/91/96/601769196.db2.gz MMAJOUFGLFDVJA-UHFFFAOYSA-N -2 0 381.479 2.878 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]c2nc(CCCC(=O)[O-])cs2)cnc1Cl ZINC000832904591 601771502 /nfs/dbraw/zinc/77/15/02/601771502.db2.gz ULLNNRFXEIDXTE-UHFFFAOYSA-N -2 0 375.859 2.708 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3nccnc3c2)c(Cl)cc1F ZINC000746351627 601835381 /nfs/dbraw/zinc/83/53/81/601835381.db2.gz VETDFIAXTMWHAV-UHFFFAOYSA-N -2 0 381.772 2.921 20 0 GFADRL O=C([O-])c1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc(-n2cccn2)c(F)c1 ZINC000833344920 601836924 /nfs/dbraw/zinc/83/69/24/601836924.db2.gz LVQQCCGIURDWHT-UHFFFAOYSA-N -2 0 396.787 2.559 20 0 GFADRL CC(C)c1noc(-c2ccc([N-]S(=O)(=O)c3csnc3C(=O)[O-])cc2)n1 ZINC000827175583 601839662 /nfs/dbraw/zinc/83/96/62/601839662.db2.gz WZKWEWZNOWMOAR-UHFFFAOYSA-N -2 0 394.434 2.816 20 0 GFADRL CC(C)Cc1nnc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)s1 ZINC000323439367 601843498 /nfs/dbraw/zinc/84/34/98/601843498.db2.gz SDLWFEKIXKZPNH-UHFFFAOYSA-N -2 0 375.859 2.889 20 0 GFADRL Cc1ccc(Cn2nccc2[N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])cc1 ZINC000832935961 601847707 /nfs/dbraw/zinc/84/77/07/601847707.db2.gz SLKFARSLIFTWOE-UHFFFAOYSA-N -2 0 389.408 2.878 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])c(C)n1 ZINC000832419186 601851880 /nfs/dbraw/zinc/85/18/80/601851880.db2.gz CSYYNGOKZZVFIA-UHFFFAOYSA-N -2 0 390.339 2.916 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2nnc(Cc3ccc(C)cc3)s2)cc1C(=O)[O-] ZINC000832935251 602105348 /nfs/dbraw/zinc/10/53/48/602105348.db2.gz WZXBHAJYRWGOJI-UHFFFAOYSA-N -2 0 393.446 2.838 20 0 GFADRL COc1ccc2nc(Cl)ccc2c1S(=O)(=O)[N-]c1csnc1C(=O)[O-] ZINC000832510586 602155818 /nfs/dbraw/zinc/15/58/18/602155818.db2.gz WXZOBLLXXIFBFQ-UHFFFAOYSA-N -2 0 399.837 2.852 20 0 GFADRL Cc1noc([N-]S(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2)c1C ZINC000833022239 602211627 /nfs/dbraw/zinc/21/16/27/602211627.db2.gz BDVZFORIOGNENF-UHFFFAOYSA-N -2 0 375.200 2.553 20 0 GFADRL O=C([O-])CCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])cc1 ZINC000740481658 602246752 /nfs/dbraw/zinc/24/67/52/602246752.db2.gz ICMKTCAVLZQZJV-UHFFFAOYSA-N -2 0 390.417 2.545 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2nnc(-c3ccccc3)s2)ccc1F ZINC000833306095 602307188 /nfs/dbraw/zinc/30/71/88/602307188.db2.gz DACNETLOFUFVII-UHFFFAOYSA-N -2 0 379.394 2.843 20 0 GFADRL Cc1cccc(S(=O)(=O)Nc2cccc(C(=O)CCC(=O)[O-])c2)c1C(=O)[O-] ZINC000832973174 602309892 /nfs/dbraw/zinc/30/98/92/602309892.db2.gz YEZZTCLXQGNWPQ-UHFFFAOYSA-N -2 0 391.401 2.542 20 0 GFADRL CC(C)C[C@H](NC(=O)[O-])c1noc(-c2ccc3c(c2)[n-]c(=S)n(C)c3=O)n1 ZINC000738817887 602410912 /nfs/dbraw/zinc/41/09/12/602410912.db2.gz UTVHYAVWUPXSEG-LBPRGKRZSA-N -2 0 389.437 2.627 20 0 GFADRL O=C([O-])NCCOc1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)c1 ZINC000740668630 602455851 /nfs/dbraw/zinc/45/58/51/602455851.db2.gz PNDDTDGABWUBHN-UHFFFAOYSA-N -2 0 390.339 2.551 20 0 GFADRL CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000739725145 602482251 /nfs/dbraw/zinc/48/22/51/602482251.db2.gz VZIIRKGNLWHOLD-UHFFFAOYSA-N -2 0 376.369 2.898 20 0 GFADRL O=C([O-])NC[C@H](NC(=O)CC1(C(=O)[O-])Cc2ccccc2C1)C1CCCCC1 ZINC000740600271 602571135 /nfs/dbraw/zinc/57/11/35/602571135.db2.gz IKSRMYSDUOVCNV-KRWDZBQOSA-N -2 0 388.464 2.579 20 0 GFADRL O=C([O-])Nc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)cc1 ZINC000740712908 602645678 /nfs/dbraw/zinc/64/56/78/602645678.db2.gz ICNMXFCBDUEKQL-UHFFFAOYSA-N -2 0 376.390 2.764 20 0 GFADRL O=C([O-])c1cccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])c1 ZINC000740717496 602646702 /nfs/dbraw/zinc/64/67/02/602646702.db2.gz WHGXVKQZJVBCIW-UHFFFAOYSA-N -2 0 376.390 2.616 20 0 GFADRL Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1NC(=O)[O-] ZINC000740245951 603151725 /nfs/dbraw/zinc/15/17/25/603151725.db2.gz LHEAAROYXUMGEY-UHFFFAOYSA-N -2 0 392.359 2.946 20 0 GFADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000830957215 603403704 /nfs/dbraw/zinc/40/37/04/603403704.db2.gz MNGMBJGAEXGWTO-MRVPVSSYSA-N -2 0 384.435 2.884 20 0 GFADRL CN(C[C@@H]1CCN(C(=O)c2cc(Br)cc(Cl)c2[O-])C1)C(=O)[O-] ZINC000828252694 603544347 /nfs/dbraw/zinc/54/43/47/603544347.db2.gz BXEOWTHMGNSWGE-QMMMGPOBSA-N -2 0 391.649 2.880 20 0 GFADRL CCOc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(C)c(NC(=O)[O-])c2)cc1 ZINC000827445019 604208728 /nfs/dbraw/zinc/20/87/28/604208728.db2.gz TVYQWIDYPMMVMH-UHFFFAOYSA-N -2 0 378.406 2.602 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)[C@@H](NC(=O)[O-])c2ccccc2)cc1C ZINC000830415142 604209110 /nfs/dbraw/zinc/20/91/10/604209110.db2.gz QANNFTSGSTVIBU-RHSMWYFYSA-N -2 0 390.461 2.753 20 0 GFADRL C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccccc1Cl)C1CCN(C(=O)[O-])CC1 ZINC000824680336 604384115 /nfs/dbraw/zinc/38/41/15/604384115.db2.gz UKUCJBOMWQMCGI-NSHDSACASA-N -2 0 388.873 2.561 20 0 GFADRL CC(C)(C)O[C@@H](C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-])c1ccccc1 ZINC000833446365 604495163 /nfs/dbraw/zinc/49/51/63/604495163.db2.gz XTTPYNVOUHFBQG-CYBMUJFWSA-N -2 0 397.474 2.808 20 0 GFADRL CC(C)(C)O[C@H](C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-])c1ccccc1 ZINC000833446366 604495661 /nfs/dbraw/zinc/49/56/61/604495661.db2.gz XTTPYNVOUHFBQG-ZDUSSCGKSA-N -2 0 397.474 2.808 20 0 GFADRL O=C([O-])c1csc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)c1 ZINC000833784599 604505444 /nfs/dbraw/zinc/50/54/44/604505444.db2.gz DOOOZCUAFMPSHI-UHFFFAOYSA-N -3 0 395.336 2.964 20 0 GFADRL CCc1nc(-c2ccccc2[N-]S(=O)(=O)c2ccc(C=CC(=O)[O-])cc2)n[nH]1 ZINC000833676208 604538900 /nfs/dbraw/zinc/53/89/00/604538900.db2.gz GPMUCWNVMWOKET-XFXZXTDPSA-N -2 0 398.444 2.933 20 0 GFADRL CCc1nc(-c2ccccc2[N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])n[nH]1 ZINC000833676873 604539027 /nfs/dbraw/zinc/53/90/27/604539027.db2.gz WWQZYEIIBOVCRF-UHFFFAOYSA-N -2 0 390.421 2.743 20 0 GFADRL Cc1cc([C@@H](C)OC(=O)c2cc(F)ccc2[N-]S(C)(=O)=O)oc1C(=O)[O-] ZINC000832875836 604565124 /nfs/dbraw/zinc/56/51/24/604565124.db2.gz PPCJTBFCKVAZMA-SECBINFHSA-N -2 0 385.369 2.715 20 0 GFADRL O=C([O-])CCc1csc([N-]S(=O)(=O)c2ccc(Br)cc2)n1 ZINC000833243508 604626081 /nfs/dbraw/zinc/62/60/81/604626081.db2.gz JQAUYAZLIZALDU-UHFFFAOYSA-N -2 0 391.268 2.724 20 0 GFADRL CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)n(C(C)(C)C)n1 ZINC000833450544 604687354 /nfs/dbraw/zinc/68/73/54/604687354.db2.gz UQNKGGPSZZRIFG-UHFFFAOYSA-N -2 0 380.470 2.830 20 0 GFADRL O=C([O-])c1n[nH]c2ccc(NC(=O)c3cccc(Br)c3[O-])cc21 ZINC000833769998 604699931 /nfs/dbraw/zinc/69/99/31/604699931.db2.gz SSGGVNBHOSUDPA-UHFFFAOYSA-N -2 0 376.166 2.982 20 0 GFADRL C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)c2cc(Cl)c3ccccc3c2[O-])CCO1 ZINC000825324960 604774031 /nfs/dbraw/zinc/77/40/31/604774031.db2.gz HMLSLCCXYLTLSY-ZUZCIYMTSA-N -2 0 378.812 2.696 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(C)cc3c2)c(OC)c1C(=O)[O-] ZINC000833734410 604861203 /nfs/dbraw/zinc/86/12/03/604861203.db2.gz CIZGMDBZKGGECZ-UHFFFAOYSA-N -2 0 390.417 2.993 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2ccc3ncsc3c2)c(OC)c1C(=O)[O-] ZINC000833734420 604861341 /nfs/dbraw/zinc/86/13/41/604861341.db2.gz DBKISZZHYKWXTA-UHFFFAOYSA-N -2 0 394.430 2.813 20 0 GFADRL CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2nn(-c3ccccc3F)cc2[O-])C1 ZINC000833417303 604995837 /nfs/dbraw/zinc/99/58/37/604995837.db2.gz OQBDVTXVBXUPDV-LBPRGKRZSA-N -2 0 375.400 2.680 20 0 GFADRL C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C[C@H](C)C1CCN(C(=O)[O-])CC1 ZINC000824680261 605079990 /nfs/dbraw/zinc/07/99/90/605079990.db2.gz SRFNBWCFXFFKFA-UONOGXRCSA-N -2 0 382.482 2.610 20 0 GFADRL COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)[N-]S(=O)(=O)c1ccsc1 ZINC000829188330 605092353 /nfs/dbraw/zinc/09/23/53/605092353.db2.gz UGFUXSCSZUHFJV-UHFFFAOYSA-N -2 0 390.826 2.619 20 0 GFADRL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000833741358 605124771 /nfs/dbraw/zinc/12/47/71/605124771.db2.gz JFUAUQQVKAYRJO-UHFFFAOYSA-N -2 0 380.447 2.830 20 0 GFADRL CC(=O)N1c2ccc(S(=O)(=O)[N-]c3scc(C(=O)[O-])c3C)cc2C[C@@H]1C ZINC000833395284 605125594 /nfs/dbraw/zinc/12/55/94/605125594.db2.gz MKEHXYWZYFYGQF-VIFPVBQESA-N -2 0 394.474 2.853 20 0 GFADRL CC(C)(C)n1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)n1 ZINC000833452184 605342675 /nfs/dbraw/zinc/34/26/75/605342675.db2.gz PIWSHMVIXASVPW-UHFFFAOYSA-N -2 0 393.252 2.839 20 0 GFADRL O=C([O-])NC[C@H](NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-])c1ccc2ccccc2c1 ZINC000834211282 605622575 /nfs/dbraw/zinc/62/25/75/605622575.db2.gz VTJZZIQQEOUJEH-KSZLIROESA-N -2 0 382.416 2.932 20 0 GFADRL O=C([O-])N1CCc2ncc([N-]S(=O)(=O)c3cccc(Cl)c3F)cc2C1 ZINC000834122022 605878915 /nfs/dbraw/zinc/87/89/15/605878915.db2.gz WLKXXYYXMMCDLY-UHFFFAOYSA-N -2 0 385.804 2.711 20 0 GFADRL COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc(CCCC(=O)[O-])cc1 ZINC000270438395 655044787 /nfs/dbraw/zinc/04/47/87/655044787.db2.gz QNUDLAHVGGVFMX-UHFFFAOYSA-N -2 0 383.447 2.743 20 0 GFADRL O=C([O-])c1cc(Br)cc([N-]S(=O)(=O)c2ccc(Cl)nc2)c1 ZINC000156375780 655092273 /nfs/dbraw/zinc/09/22/73/655092273.db2.gz IGYNQGIAZRDAQT-UHFFFAOYSA-N -2 0 391.630 2.997 20 0 GFADRL Cc1ccc([N-]S(=O)(=O)c2cn(C)c(Cl)n2)c(SCCC(=O)[O-])c1 ZINC000274919475 655207339 /nfs/dbraw/zinc/20/73/39/655207339.db2.gz MNFUMLYABZAZTA-UHFFFAOYSA-N -2 0 389.886 2.750 20 0 GFADRL C[C@H](CCC[N-]S(=O)(=O)c1cc(F)c(Br)cc1F)C(=O)[O-] ZINC000275027534 655212268 /nfs/dbraw/zinc/21/22/68/655212268.db2.gz SWTWLYFFOGFJNP-SSDOTTSWSA-N -2 0 386.214 2.507 20 0 GFADRL O=C([O-])c1ccc(Br)c(S(=O)(=O)[N-]c2cnc(C3CC3)nc2)c1 ZINC000728509443 655556118 /nfs/dbraw/zinc/55/61/18/655556118.db2.gz NVGDSLBLNRNLBK-UHFFFAOYSA-N -2 0 398.238 2.616 20 0 GFADRL COC(=O)c1sccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1Cl ZINC000753771208 655858204 /nfs/dbraw/zinc/85/82/04/655858204.db2.gz NMUILWLBJJPIFQ-UHFFFAOYSA-N -2 0 389.838 2.996 20 0 GFADRL C[C@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000776575102 656761710 /nfs/dbraw/zinc/76/17/10/656761710.db2.gz YTGJVNSGYDPXQM-NKWVEPMBSA-N -2 0 389.342 2.940 20 0 GFADRL CC(C)Cn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)c(Cl)c2F)cn1 ZINC000779838674 656948176 /nfs/dbraw/zinc/94/81/76/656948176.db2.gz DRGJYMCCOZHMPM-UHFFFAOYSA-N -2 0 393.799 2.970 20 0 GFADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)c(Cl)c2F)c(=O)[nH]1 ZINC000790405704 657970113 /nfs/dbraw/zinc/97/01/13/657970113.db2.gz ZDNSEGVEEGAXNZ-UHFFFAOYSA-N -2 0 378.740 2.526 20 0 GFADRL COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C)cc(C(=O)[O-])c2)c1 ZINC000795364833 658811466 /nfs/dbraw/zinc/81/14/66/658811466.db2.gz BEBREBOZPJOQIU-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1c(F)cccc1Cl ZINC000852736335 661873028 /nfs/dbraw/zinc/87/30/28/661873028.db2.gz LUOROPRBDXLPAB-NEPJUHHUSA-N -2 0 382.741 2.575 20 0 GFADRL CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000863954968 662351011 /nfs/dbraw/zinc/35/10/11/662351011.db2.gz VCFFVZYZEWZCGP-UHFFFAOYSA-N -2 0 385.335 2.540 20 0 GFADRL CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000863959717 662351231 /nfs/dbraw/zinc/35/12/31/662351231.db2.gz ACYLYCCLPVFCRB-UHFFFAOYSA-N -2 0 398.264 2.698 20 0 GFADRL COc1cc(Cl)c(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)(C)C)cc1Cl ZINC000863960198 662351278 /nfs/dbraw/zinc/35/12/78/662351278.db2.gz KNZFLMYGEJEBOG-LLVKDONJSA-N -2 0 398.264 2.554 20 0 GFADRL CNC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000055651713 551174314 /nfs/dbraw/zinc/17/43/14/551174314.db2.gz WCPAHKZPZPXPLA-UHFFFAOYSA-N -2 0 382.825 2.507 20 0 GFADRL C[C@H](CCC(=O)[O-])NC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000262162936 553166891 /nfs/dbraw/zinc/16/68/91/553166891.db2.gz PIEYSHYSKSGSHU-LLVKDONJSA-N -2 0 382.463 2.532 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2-c2nc[nH]n2)cc1Cl ZINC000371369312 563275254 /nfs/dbraw/zinc/27/52/54/563275254.db2.gz NPZXMZIYAGOKFV-UHFFFAOYSA-N -2 0 378.797 2.624 20 0 GFADRL CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC000299169999 563377221 /nfs/dbraw/zinc/37/72/21/563377221.db2.gz WLZOJJAAEXIAJT-SNVBAGLBSA-N -2 0 382.463 2.775 20 0 GFADRL COc1cc(F)c(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)[O-])cc1OC ZINC000326733175 563455999 /nfs/dbraw/zinc/45/59/99/563455999.db2.gz HRBCOBCWYVEXTG-UHFFFAOYSA-N -2 0 389.788 2.995 20 0 GFADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)ccc1-n1cccn1 ZINC000327337656 563458231 /nfs/dbraw/zinc/45/82/31/563458231.db2.gz FTCBULDIQGWQST-UHFFFAOYSA-N -2 0 381.797 2.926 20 0 GFADRL COC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000327997832 563459931 /nfs/dbraw/zinc/45/99/31/563459931.db2.gz FCWZXKFSEVPBIE-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Br ZINC000387025252 563519634 /nfs/dbraw/zinc/51/96/34/563519634.db2.gz JCVGGGMKRDGELS-UHFFFAOYSA-N -2 0 386.223 2.957 20 0 GFADRL Cc1cc(Cl)c(C)c(S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])c1Cl ZINC000392432434 563526804 /nfs/dbraw/zinc/52/68/04/563526804.db2.gz ZJOVECCHYCGEDW-SNVBAGLBSA-N -2 0 398.264 2.597 20 0 GFADRL CCc1nnc(-c2ccc([N-]S(=O)(=O)c3csc(C(=O)[O-])c3)cc2)o1 ZINC000438724158 563709455 /nfs/dbraw/zinc/70/94/55/563709455.db2.gz LSMXRAZYZZHJNE-UHFFFAOYSA-N -2 0 379.419 2.860 20 0 GFADRL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2C(N)=O)cc1C(=O)[O-] ZINC000438753603 563709742 /nfs/dbraw/zinc/70/97/42/563709742.db2.gz AVGVKYIIVSKXKM-UHFFFAOYSA-N -2 0 382.825 2.555 20 0 GFADRL CCc1ccc([N-]S(=O)(=O)c2c(C)csc2C(=O)OC)c(C(=O)[O-])c1 ZINC000442822404 563780167 /nfs/dbraw/zinc/78/01/67/563780167.db2.gz WUEJVCYRBXCXIB-UHFFFAOYSA-N -2 0 383.447 2.905 20 0 GFADRL CCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2[N-]S(C)(=O)=O)s1 ZINC000538015955 564179748 /nfs/dbraw/zinc/17/97/48/564179748.db2.gz UJDQUUTWZSUOLB-UHFFFAOYSA-N -2 0 378.472 2.622 20 0 GFADRL CNC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000506673299 564209367 /nfs/dbraw/zinc/20/93/67/564209367.db2.gz GZSRMXSNSXJAJV-UHFFFAOYSA-N -2 0 382.825 2.507 20 0 GFADRL C[C@@H](Sc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1)C(=O)[O-] ZINC000507568981 564232912 /nfs/dbraw/zinc/23/29/12/564232912.db2.gz VLPLEUUMTQMCAW-SNVBAGLBSA-N -2 0 381.431 2.751 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)nc2)cc1Cl ZINC000565259580 564272910 /nfs/dbraw/zinc/27/29/10/564272910.db2.gz QRYOMIURNHYLPB-UHFFFAOYSA-N -2 0 378.740 2.835 20 0 GFADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2cccc(SC)c2)c1OC ZINC000509089169 564281376 /nfs/dbraw/zinc/28/13/76/564281376.db2.gz JGOQWBYMGRQQOU-UHFFFAOYSA-N -2 0 383.447 2.925 20 0 GFADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@]1(C(=O)[O-])CCC(C)(C)c2ccccc21 ZINC000541929409 564295544 /nfs/dbraw/zinc/29/55/44/564295544.db2.gz UWCAIARZZGEYSE-MEBBXXQBSA-N -2 0 379.400 2.908 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)cc(NCC(F)(F)F)c2)c[nH]1 ZINC000475795516 564320326 /nfs/dbraw/zinc/32/03/26/564320326.db2.gz WEQBQVMXYBTVSD-UHFFFAOYSA-N -2 0 381.307 2.627 20 0 GFADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)c(Cl)c1 ZINC000476745600 564353086 /nfs/dbraw/zinc/35/30/86/564353086.db2.gz YNFPPVXORKSUKM-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL COC(=O)c1cc(C)ccc1S(=O)(=O)[N-]c1ccc(Cl)c(C(=O)[O-])c1 ZINC000513814632 564440224 /nfs/dbraw/zinc/44/02/24/564440224.db2.gz CYXHLUWENNJMPL-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL Cc1csc(S(=O)(=O)N[C@@H]2CCCN(c3ccc(C(=O)[O-])cc3)C2)c1 ZINC000569082191 564448172 /nfs/dbraw/zinc/44/81/72/564448172.db2.gz NXEAKEICUZXDNK-CQSZACIVSA-N -2 0 380.491 2.702 20 0 GFADRL COCc1cc(Cl)cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC)c1 ZINC000569517068 564466601 /nfs/dbraw/zinc/46/66/01/564466601.db2.gz OMMDNZSQXAUZBM-UHFFFAOYSA-N -2 0 385.825 2.994 20 0 GFADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000547608763 564501828 /nfs/dbraw/zinc/50/18/28/564501828.db2.gz LTFNKGWBRXBHCV-UHFFFAOYSA-N -2 0 385.239 2.906 20 0 GFADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)c1 ZINC000548212357 564536931 /nfs/dbraw/zinc/53/69/31/564536931.db2.gz WUWASRVNULPJQV-UHFFFAOYSA-N -2 0 380.809 2.724 20 0 GFADRL CSCc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC000517593221 564537553 /nfs/dbraw/zinc/53/75/53/564537553.db2.gz WAPCGWYUFKIOBX-UHFFFAOYSA-N -2 0 381.431 2.747 20 0 GFADRL CCn1cnnc1-c1ccccc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000518389073 564552409 /nfs/dbraw/zinc/55/24/09/564552409.db2.gz GEBYYPGMFIQNFS-UHFFFAOYSA-N -2 0 378.435 2.526 20 0 GFADRL O=C([O-])[C@@H]1CCCCCC[C@@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000548591790 564564537 /nfs/dbraw/zinc/56/45/37/564564537.db2.gz ONARZUDZZGRUDL-NEPJUHHUSA-N -2 0 380.388 2.802 20 0 GFADRL COc1cc(S(=O)(=O)[N-]c2cc(CO)ccc2C)c(Cl)cc1C(=O)[O-] ZINC000485283677 564611636 /nfs/dbraw/zinc/61/16/36/564611636.db2.gz DOXGSCVWYVNIEP-UHFFFAOYSA-N -2 0 385.825 2.648 20 0 GFADRL Cc1cn(-c2ccc(Cl)cc2)nc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000499500256 564928984 /nfs/dbraw/zinc/92/89/84/564928984.db2.gz COBPSQZPKKCEAB-UHFFFAOYSA-N -2 0 380.813 2.661 20 0 GFADRL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2c1OCCO2 ZINC000534621338 564993310 /nfs/dbraw/zinc/99/33/10/564993310.db2.gz RNGQVMMYRVHGQK-UHFFFAOYSA-N -2 0 383.809 2.919 20 0 GFADRL C[C@@H](Sc1ccc([N-]S(=O)(=O)c2c[nH]c3ncccc23)cc1)C(=O)[O-] ZINC000504665372 565042822 /nfs/dbraw/zinc/04/28/22/565042822.db2.gz DSQDYRZTLWVQIL-SNVBAGLBSA-N -2 0 377.447 2.929 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2)c(C(=O)[O-])c1 ZINC000504658363 565042916 /nfs/dbraw/zinc/04/29/16/565042916.db2.gz SJPAKXRJTDCHPR-UHFFFAOYSA-N -2 0 376.312 2.608 20 0 GFADRL Cc1cnc(N)c(S(=O)(=O)[N-]c2cc(Cl)c(Cl)c(C(=O)[O-])c2)c1 ZINC000536902185 565049145 /nfs/dbraw/zinc/04/91/45/565049145.db2.gz RSFGBWCJJWUMRS-UHFFFAOYSA-N -2 0 376.221 2.778 20 0 GFADRL Cc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000647923761 565683932 /nfs/dbraw/zinc/68/39/32/565683932.db2.gz KQBVLGMVXKGORW-UHFFFAOYSA-N -2 0 383.809 2.987 20 0 GFADRL O=C(N=c1nc(C2CCOCC2)[n-]s1)c1cccc(Br)c1[O-] ZINC000629101316 565823834 /nfs/dbraw/zinc/82/38/34/565823834.db2.gz HYDRPXGJHWJPGA-UHFFFAOYSA-N -2 0 384.255 2.574 20 0 GFADRL CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C(=O)[O-])s1 ZINC000604856394 565937799 /nfs/dbraw/zinc/93/77/99/565937799.db2.gz NUAIDOVRHRMIGR-JTQLQIEISA-N -2 0 382.463 2.753 20 0 GFADRL CCOC(=O)CCc1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1 ZINC000610058062 566062604 /nfs/dbraw/zinc/06/26/04/566062604.db2.gz DCQWEVPWRCGPTH-UHFFFAOYSA-N -2 0 383.447 2.743 20 0 GFADRL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c1 ZINC000156553584 597738554 /nfs/dbraw/zinc/73/85/54/597738554.db2.gz JRFOOEXDYCSQBM-UHFFFAOYSA-N -2 0 381.278 2.810 20 0 GFADRL COc1ccccc1C[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000738125624 599704188 /nfs/dbraw/zinc/70/41/88/599704188.db2.gz HMKYCMNEVKIULU-NSHDSACASA-N -2 0 397.474 2.529 20 0 GFADRL C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)cc2F)C[C@H](C)O1 ZINC000736823134 599737838 /nfs/dbraw/zinc/73/78/38/599737838.db2.gz GYWPZBRQUFNJJS-PHIMTYICSA-N -2 0 398.412 2.531 20 0 GFADRL CC(C)COC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1 ZINC000736443289 599738147 /nfs/dbraw/zinc/73/81/47/599738147.db2.gz IGXHHWRAHOCOET-UHFFFAOYSA-N -2 0 382.394 2.983 20 0 GFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C(=O)N2CCCC2)o1 ZINC000740177666 599738273 /nfs/dbraw/zinc/73/82/73/599738273.db2.gz QZYZAFJXKCVQKT-UHFFFAOYSA-N -2 0 398.824 2.668 20 0 GFADRL CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2C)cc1C(=O)[O-] ZINC000476760191 599747091 /nfs/dbraw/zinc/74/70/91/599747091.db2.gz NXNCMWXCYJSPNS-UHFFFAOYSA-N -2 0 379.390 2.591 20 0 GFADRL CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(OCC(=O)[O-])c2)cc1 ZINC000737030424 599765603 /nfs/dbraw/zinc/76/56/03/599765603.db2.gz XAXCTSNCYHGXCF-UHFFFAOYSA-N -2 0 393.417 2.518 20 0 GFADRL C[C@@H](CNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC000736605393 599777126 /nfs/dbraw/zinc/77/71/26/599777126.db2.gz DZTPXWIRTBZYRL-NSHDSACASA-N -2 0 396.852 2.591 20 0 GFADRL O=C([O-])Nc1cc([N-]S(=O)(=O)c2cc3c(cc2Cl)NC(=O)C3)ccc1F ZINC000740011387 599802167 /nfs/dbraw/zinc/80/21/67/599802167.db2.gz CAOSSWFQNVRVPA-UHFFFAOYSA-N -2 0 399.787 2.864 20 0 GFADRL O=C([O-])CCc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)cc1 ZINC000739767024 599853874 /nfs/dbraw/zinc/85/38/74/599853874.db2.gz QJSAYFVLEOUVGP-UHFFFAOYSA-N -2 0 389.429 2.692 20 0 GFADRL O=C([O-])CCc1ccc([N-]S(=O)(=O)c2cnn(Cc3ccccc3)c2)cc1 ZINC000739767802 599853996 /nfs/dbraw/zinc/85/39/96/599853996.db2.gz ZWKZIMVXINLQLS-UHFFFAOYSA-N -2 0 385.445 2.749 20 0 GFADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)C[C@H]2CCCc3ccccc32)cc1 ZINC000739221602 599885418 /nfs/dbraw/zinc/88/54/18/599885418.db2.gz FMAOORKVBHQALW-QGZVFWFLSA-N -2 0 387.457 2.841 20 0 GFADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000738546229 599927565 /nfs/dbraw/zinc/92/75/65/599927565.db2.gz OKVRIVAEJQMRMO-UHFFFAOYSA-N -2 0 395.458 2.812 20 0 GFADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc([C@@H](C)OC)c1 ZINC000737688248 599981498 /nfs/dbraw/zinc/98/14/98/599981498.db2.gz KUOIPXCEGAPNRX-LLVKDONJSA-N -2 0 393.417 2.680 20 0 GFADRL CCCC1=C(C(=O)[O-])[C@@H](c2ccc(OCC(=O)[O-])cc2)NC(=O)N1CC1CC1 ZINC000736976230 599988135 /nfs/dbraw/zinc/98/81/35/599988135.db2.gz XGHOGEPMQNMPMH-GOSISDBHSA-N -2 0 388.420 2.765 20 0 GFADRL COC(=O)c1cc([N-]S(=O)(=O)c2cc(Cl)ccc2OC)cc(C(=O)[O-])c1 ZINC000737666246 600022995 /nfs/dbraw/zinc/02/29/95/600022995.db2.gz SKCCWUWAZTVWGH-UHFFFAOYSA-N -2 0 399.808 2.634 20 0 GFADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccnn1CCc1ccccc1 ZINC000738546282 600055027 /nfs/dbraw/zinc/05/50/27/600055027.db2.gz QPMBBIBGAYIUHH-UHFFFAOYSA-N -2 0 385.445 2.933 20 0 GFADRL CCn1c(=O)c2ccc(C(=O)Nc3ccc(C)cc3C(=O)[O-])cc2[n-]c1=S ZINC000737295726 600074018 /nfs/dbraw/zinc/07/40/18/600074018.db2.gz OOBRHNFWOHLUSY-UHFFFAOYSA-N -2 0 383.429 2.964 20 0 GFADRL CCc1cccc2c(CC(=O)[N-]S(=O)(=O)c3ccc(C(=O)[O-])s3)c[nH]c21 ZINC000737270476 600100533 /nfs/dbraw/zinc/10/05/33/600100533.db2.gz UWLBPDWUGXFBEE-UHFFFAOYSA-N -2 0 392.458 2.538 20 0 GFADRL COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1ccc(F)c(NC(=O)[O-])c1 ZINC000738040400 600100805 /nfs/dbraw/zinc/10/08/05/600100805.db2.gz UMHLDALBAVEKGG-UHFFFAOYSA-N -2 0 397.384 2.683 20 0 GFADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2c(C(=O)[O-])ccc3cccnc32)c1 ZINC000740144947 600170088 /nfs/dbraw/zinc/17/00/88/600170088.db2.gz RNONQFSJTDRRNN-UHFFFAOYSA-N -3 0 390.348 2.571 20 0 GFADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccccc2SCC(F)(F)F)c1C(=O)[O-] ZINC000738828194 600231056 /nfs/dbraw/zinc/23/10/56/600231056.db2.gz QWDLNLVSENZBJF-UHFFFAOYSA-N -2 0 395.384 2.872 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(-n3ccnc3)c2)c(F)cc1F ZINC000740090600 600247319 /nfs/dbraw/zinc/24/73/19/600247319.db2.gz ZENRAFOOVBKOGD-UHFFFAOYSA-N -2 0 379.344 2.650 20 0 GFADRL CCOC(=O)Cc1cccc([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])c1 ZINC000737142250 600396136 /nfs/dbraw/zinc/39/61/36/600396136.db2.gz CTDDDXFFGXLRIZ-UHFFFAOYSA-N -2 0 381.406 2.501 20 0 GFADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1ccc(CSc2ccccc2)cc1 ZINC000739692143 600463744 /nfs/dbraw/zinc/46/37/44/600463744.db2.gz MTERQCUJAFBLMS-UHFFFAOYSA-N -2 0 393.486 2.903 20 0 GFADRL Cc1cc(Br)cc(C)c1S(=O)(=O)[N-]c1cnccc1C(=O)[O-] ZINC000738313755 600514772 /nfs/dbraw/zinc/51/47/72/600514772.db2.gz QGBROXJPJNKCQW-UHFFFAOYSA-N -2 0 385.239 2.960 20 0 GFADRL CC[C@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000736903035 600520378 /nfs/dbraw/zinc/52/03/78/600520378.db2.gz DTBUQOXHYHLDCK-MRXNPFEDSA-N -2 0 375.446 2.600 20 0 GFADRL CCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c(C(=O)[O-])c1 ZINC000737266383 600536261 /nfs/dbraw/zinc/53/62/61/600536261.db2.gz LIHRFNZVBCYKPA-UHFFFAOYSA-N -3 0 385.344 2.724 20 0 GFADRL O=C([O-])c1ccnc([N-]S(=O)(=O)c2ccc(Br)cc2Cl)c1 ZINC000096703764 600576268 /nfs/dbraw/zinc/57/62/68/600576268.db2.gz BAHPICSHPDTSPF-UHFFFAOYSA-N -2 0 391.630 2.997 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2nc(-c3ccccc3)ns2)c(F)cc1F ZINC000740090082 600577345 /nfs/dbraw/zinc/57/73/45/600577345.db2.gz RIUIOROBZOHEGN-UHFFFAOYSA-N -2 0 397.384 2.982 20 0 GFADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2ccccc2Oc2cccc(F)c2)cn1 ZINC000833274306 600677061 /nfs/dbraw/zinc/67/70/61/600677061.db2.gz YQYRMODSYXANGI-UHFFFAOYSA-N -2 0 391.380 2.700 20 0 GFADRL Cc1nnc(-c2ccc([N-]S(=O)(=O)c3cc(F)ccc3C(=O)[O-])cc2)o1 ZINC000738933990 600679292 /nfs/dbraw/zinc/67/92/92/600679292.db2.gz MRZZAXVLJCXQHW-UHFFFAOYSA-N -2 0 377.353 2.683 20 0 GFADRL COc1ccccc1-n1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)cn1 ZINC000484798443 600680354 /nfs/dbraw/zinc/68/03/54/600680354.db2.gz VUVLGCABOSBFMB-UHFFFAOYSA-N -2 0 387.417 2.688 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2NC(=O)C[C@@H]2C=CCC2)c[nH]1 ZINC000592985910 600680428 /nfs/dbraw/zinc/68/04/28/600680428.db2.gz GWSUQXNXIJCDQP-GFCCVEGCSA-N -2 0 389.433 2.809 20 0 GFADRL NC(=O)c1c(Cl)cccc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000833084337 600688802 /nfs/dbraw/zinc/68/88/02/600688802.db2.gz DQSCSKQMLNUNTQ-UHFFFAOYSA-N -2 0 389.216 2.591 20 0 GFADRL O=C([O-])c1cccc(-c2noc(C[N-]S(=O)(=O)c3ccc(Cl)s3)n2)c1 ZINC000833327523 600697232 /nfs/dbraw/zinc/69/72/32/600697232.db2.gz AWRPVLVJVBEZON-UHFFFAOYSA-N -2 0 399.837 2.628 20 0 GFADRL CSc1nc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])n(C)c3)cc2s1 ZINC000325117296 600808767 /nfs/dbraw/zinc/80/87/67/600808767.db2.gz OSZNGSUQVSOCGO-UHFFFAOYSA-N -2 0 383.476 2.856 20 0 GFADRL O=C([O-])CSCc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1 ZINC000833264002 600815627 /nfs/dbraw/zinc/81/56/27/600815627.db2.gz VRTIPIZPFUMZQL-UHFFFAOYSA-N -3 0 399.421 2.643 20 0 GFADRL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2ccccc2N2CCOC2=O)c1 ZINC000740076245 600892587 /nfs/dbraw/zinc/89/25/87/600892587.db2.gz UBEHEKYUECGYOI-UHFFFAOYSA-N -2 0 396.808 2.796 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)c(OC)c1OC ZINC000506624909 600892591 /nfs/dbraw/zinc/89/25/91/600892591.db2.gz QZJOMFVSVNPMKV-UHFFFAOYSA-N -2 0 381.406 2.520 20 0 GFADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)[C@@H]2CCSc3ccccc32)cc1 ZINC000833315581 600944445 /nfs/dbraw/zinc/94/44/45/600944445.db2.gz URUYOVJHDOMWPZ-OAHLLOKOSA-N -2 0 391.470 2.610 20 0 GFADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)C[C@H](Cc1ccccc1)c1ccccc1 ZINC000833228235 600947509 /nfs/dbraw/zinc/94/75/09/600947509.db2.gz JHOCCXZEPMLSPZ-SFHVURJKSA-N -2 0 389.473 2.714 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)n(-c2ccccn2)n1 ZINC000832898523 600974922 /nfs/dbraw/zinc/97/49/22/600974922.db2.gz NRDKXZQDVAHIPX-UHFFFAOYSA-N -2 0 392.824 2.728 20 0 GFADRL CC(=C([O-])c1[nH]c(C)c(C(=O)[O-])c1C)S(=O)(=O)Cc1sc(C)nc1C ZINC000832995459 600975375 /nfs/dbraw/zinc/97/53/75/600975375.db2.gz ZYTWBKAATLPRSV-SNVBAGLBSA-N -2 0 384.479 2.589 20 0 GFADRL Cc1ccsc1Cn1nccc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000832984603 600976914 /nfs/dbraw/zinc/97/69/14/600976914.db2.gz XKEVMBXYXMFICG-UHFFFAOYSA-N -2 0 383.476 2.862 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2cnccc2C(=O)[O-])c(Cl)c1Cl ZINC000832468768 600984283 /nfs/dbraw/zinc/98/42/83/600984283.db2.gz OHLAWXONOCHZMQ-UHFFFAOYSA-N -2 0 377.205 2.896 20 0 GFADRL CCc1cnc([N-]S(=O)(=O)c2cc(/C=C\C(=O)[O-])cc(OC)c2OC)s1 ZINC000830299945 600985496 /nfs/dbraw/zinc/98/54/96/600985496.db2.gz ZDUDBNDGAGUYNO-WAYWQWQTSA-N -2 0 398.462 2.621 20 0 GFADRL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2cnn(-c3ccccc3F)c2)c1 ZINC000460826737 601048133 /nfs/dbraw/zinc/04/81/33/601048133.db2.gz IROIUBSRBMEQDF-UHFFFAOYSA-N -2 0 391.380 2.519 20 0 GFADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)c1OC ZINC000484988870 601049446 /nfs/dbraw/zinc/04/94/46/601049446.db2.gz RJCQGHKSXWQZKU-UHFFFAOYSA-N -2 0 383.397 2.959 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc(NC(=O)C(C)C)cc1 ZINC000831946020 601150287 /nfs/dbraw/zinc/15/02/87/601150287.db2.gz POIIIWGUODASPL-UHFFFAOYSA-N -2 0 398.462 2.850 20 0 GFADRL Cc1oc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)cc2C)cc1C(=O)[O-] ZINC000832892091 601233021 /nfs/dbraw/zinc/23/30/21/601233021.db2.gz XZZGPFHVXAAYMM-UHFFFAOYSA-N -2 0 396.490 2.949 20 0 GFADRL Cc1ccc(CCCC(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)s1 ZINC000832929895 601237659 /nfs/dbraw/zinc/23/76/59/601237659.db2.gz FRLXDUPMOVOGQR-UHFFFAOYSA-N -2 0 381.475 2.724 20 0 GFADRL Cc1ccccc1-c1cc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)n[nH]1 ZINC000444422158 601241015 /nfs/dbraw/zinc/24/10/15/601241015.db2.gz KIOMKEMWOXIDDU-UHFFFAOYSA-N -2 0 387.417 2.649 20 0 GFADRL COc1ccc([C@H](NC(=O)c2nn(-c3ccc(F)cc3C)cc2[O-])C(=O)[O-])cc1 ZINC000832244618 601284387 /nfs/dbraw/zinc/28/43/87/601284387.db2.gz FRARSHRIJUOGRW-KRWDZBQOSA-N -2 0 399.378 2.590 20 0 GFADRL Cn1cc(NC(=O)c2cc3ccccc3cc2[N-]S(C)(=O)=O)cc1C(=O)[O-] ZINC000833052454 601312759 /nfs/dbraw/zinc/31/27/59/601312759.db2.gz WTHCQIPJCGFYST-UHFFFAOYSA-N -2 0 387.417 2.500 20 0 GFADRL CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000013345763 601317853 /nfs/dbraw/zinc/31/78/53/601317853.db2.gz ZUWONYCZZNUPSR-FMIVXFBMSA-N -2 0 375.402 2.762 20 0 GFADRL CCOc1ccc(OC)cc1[N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000830089072 601330630 /nfs/dbraw/zinc/33/06/30/601330630.db2.gz YYZXIQQQTWYYND-WDZFZDKYSA-N -2 0 377.418 2.993 20 0 GFADRL CC(=O)N(C)c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000605292238 601332687 /nfs/dbraw/zinc/33/26/87/601332687.db2.gz XQWDZIZATNXJHL-UHFFFAOYSA-N -2 0 376.434 2.785 20 0 GFADRL Cc1ccc([N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)cc1C(=O)[O-] ZINC000484797518 601333606 /nfs/dbraw/zinc/33/36/06/601333606.db2.gz NBJNDBSJMLPHAA-UHFFFAOYSA-N -2 0 378.381 2.518 20 0 GFADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000443365995 601575721 /nfs/dbraw/zinc/57/57/21/601575721.db2.gz SPYJPUHERMVAJW-UHFFFAOYSA-N -3 0 379.390 2.673 20 0 GFADRL C[C@@H](CSc1ccc(F)cc1)C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000827582121 601598942 /nfs/dbraw/zinc/59/89/42/601598942.db2.gz YUXSVKSVUXVYIP-NSHDSACASA-N -2 0 397.449 2.757 20 0 GFADRL Cc1ccc(-n2[n-]c(C(=O)N[C@@H](c3ccccc3)[C@H](C)C(=O)[O-])cc2=O)cc1 ZINC000832909713 601610606 /nfs/dbraw/zinc/61/06/06/601610606.db2.gz HMWLVYJTMGZDHL-IFXJQAMLSA-N -2 0 379.416 2.666 20 0 GFADRL COC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000392763065 601828487 /nfs/dbraw/zinc/82/84/87/601828487.db2.gz QSTZIDWCNJJNSW-UHFFFAOYSA-N -2 0 383.809 2.934 20 0 GFADRL COC(=O)c1ccc(OC)cc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000731470147 601829300 /nfs/dbraw/zinc/82/93/00/601829300.db2.gz QMZNYYRNAVPNSX-UHFFFAOYSA-N -2 0 399.808 2.634 20 0 GFADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c(OC)c1 ZINC000109417806 601830896 /nfs/dbraw/zinc/83/08/96/601830896.db2.gz DGKVYPNKHXKHGV-UHFFFAOYSA-N -2 0 389.788 2.995 20 0 GFADRL CC(C)(C)n1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cn1 ZINC000063878004 601838178 /nfs/dbraw/zinc/83/81/78/601838178.db2.gz OECHHJKZQBPSNG-UHFFFAOYSA-N -2 0 375.809 2.930 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2cc(Br)sc2C)c(C(=O)[O-])[nH]1 ZINC000163452528 601840514 /nfs/dbraw/zinc/84/05/14/601840514.db2.gz LYGFYVOHKRYCRQ-UHFFFAOYSA-N -2 0 379.257 2.955 20 0 GFADRL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccc(N2CCCCC2)nc1 ZINC000833294112 601847650 /nfs/dbraw/zinc/84/76/50/601847650.db2.gz DPNOPABKZDBEIB-UHFFFAOYSA-N -2 0 379.413 2.710 20 0 GFADRL C[C@@H](c1ccccc1)n1ccc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)n1 ZINC000827951273 601855669 /nfs/dbraw/zinc/85/56/69/601855669.db2.gz WRFOXOZOSFMIAZ-LBPRGKRZSA-N -2 0 387.417 2.697 20 0 GFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cccc(OCCF)c1 ZINC000831945890 601856214 /nfs/dbraw/zinc/85/62/14/601856214.db2.gz LBIGZWYDUJZKJT-UHFFFAOYSA-N -2 0 375.399 2.604 20 0 GFADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)N1CCCc2c(C(=O)[O-])cccc21 ZINC000832868922 601856857 /nfs/dbraw/zinc/85/68/57/601856857.db2.gz BUJZNOQUWCSXKZ-UHFFFAOYSA-N -2 0 375.402 2.533 20 0 GFADRL CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)n[nH]1 ZINC000829216512 602102188 /nfs/dbraw/zinc/10/21/88/602102188.db2.gz NLPAKQFIAIRVLI-GFCCVEGCSA-N -2 0 381.454 2.968 20 0 GFADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2cc(-c3cccc(F)c3F)[nH]n2)cc1 ZINC000122552908 602118449 /nfs/dbraw/zinc/11/84/49/602118449.db2.gz JDFCVWSAZUSWDN-UHFFFAOYSA-N -2 0 393.371 2.783 20 0 GFADRL Cc1c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)cnn1-c1ccccn1 ZINC000481577486 602199876 /nfs/dbraw/zinc/19/98/76/602199876.db2.gz YXWQNROZYJYUKD-UHFFFAOYSA-N -2 0 392.824 2.728 20 0 GFADRL CC1=C(C(=O)[O-])[C@H](c2cnc(C(C)C)s2)NC(=O)N1CCCCC(=O)[O-] ZINC000828134529 602233404 /nfs/dbraw/zinc/23/34/04/602233404.db2.gz HQPRFEOTZMNIJS-AWEZNQCLSA-N -2 0 381.454 2.946 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2cc(C3CCCCC3)[nH]n2)cc1C(=O)[O-] ZINC000832468515 602307879 /nfs/dbraw/zinc/30/78/79/602307879.db2.gz GGEWWWOWAHZKPM-UHFFFAOYSA-N -2 0 379.438 2.965 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2ccccc2OCC(F)F)cc1C(=O)[O-] ZINC000474392354 602320402 /nfs/dbraw/zinc/32/04/02/602320402.db2.gz VKNGYCRECBYJCD-UHFFFAOYSA-N -2 0 387.360 2.838 20 0 GFADRL CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000739997967 602506726 /nfs/dbraw/zinc/50/67/26/602506726.db2.gz ZFZOCFFNWBMNAB-UHFFFAOYSA-N -2 0 389.433 2.741 20 0 GFADRL CCN(Cc1ccccc1[N-]S(=O)(=O)c1c(C)nn(C)c1Cl)C(=O)[O-] ZINC000739445908 602654419 /nfs/dbraw/zinc/65/44/19/602654419.db2.gz UBVUSQDRHZYVHJ-UHFFFAOYSA-N -2 0 386.861 2.683 20 0 GFADRL CCN(Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1)C(=O)[O-] ZINC000739446483 602655198 /nfs/dbraw/zinc/65/51/98/602655198.db2.gz XRLUFVLQVSVHPL-UHFFFAOYSA-N -2 0 392.433 2.774 20 0 GFADRL Cc1cc(S(=O)(=O)[N-]C(=O)CC[C@H](NC(=O)[O-])c2ccccc2)c(C)s1 ZINC000740091026 602671411 /nfs/dbraw/zinc/67/14/11/602671411.db2.gz JLKMVEPEOYSONT-AWEZNQCLSA-N -2 0 396.490 2.959 20 0 GFADRL O=C([O-])N1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000738508403 602686722 /nfs/dbraw/zinc/68/67/22/602686722.db2.gz PKZIJAIJKJJSOR-MRXNPFEDSA-N -2 0 388.445 2.549 20 0 GFADRL Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1ccccc1CN(C)C(=O)[O-] ZINC000740241925 602869336 /nfs/dbraw/zinc/86/93/36/602869336.db2.gz GNFAZNBTJSWHGW-UHFFFAOYSA-N -2 0 380.470 2.991 20 0 GFADRL CN(C(=O)[O-])c1ccc(OC(=O)c2ccc3c(c2)[n-]c(=S)n(C)c3=O)cc1 ZINC000827914213 603042796 /nfs/dbraw/zinc/04/27/96/603042796.db2.gz IAFUIDAOORFCLM-UHFFFAOYSA-N -2 0 385.401 2.556 20 0 GFADRL COC(=O)c1ccccc1S(=O)(=O)[N-]c1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000828804090 603401647 /nfs/dbraw/zinc/40/16/47/603401647.db2.gz JLENGLVKYMCKKU-LLVKDONJSA-N -2 0 378.406 2.603 20 0 GFADRL O=C([O-])N1CCc2nc([N-]S(=O)(=O)/C=C/c3ccc(F)cc3)sc2C1 ZINC000832095092 603632299 /nfs/dbraw/zinc/63/22/99/603632299.db2.gz ZHNZTSAZCPJJNT-SOFGYWHQSA-N -2 0 383.426 2.731 20 0 GFADRL Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@H](C)C2CCN(C(=O)[O-])CC2)c(C)c1 ZINC000830415441 604383505 /nfs/dbraw/zinc/38/35/05/604383505.db2.gz RJHXZQBURNOHDW-ZDUSSCGKSA-N -2 0 382.482 2.525 20 0 GFADRL CC1=C(C(=O)[O-])[C@@H](c2ccc(O)c(F)c2)NC(=O)N1CCCCCC(=O)[O-] ZINC000833578809 604556734 /nfs/dbraw/zinc/55/67/34/604556734.db2.gz XDFBINLDIJBRIT-MRXNPFEDSA-N -2 0 380.372 2.601 20 0 GFADRL CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)c(C(F)(F)F)c1 ZINC000833663525 604688211 /nfs/dbraw/zinc/68/82/11/604688211.db2.gz WBDLWNBLAIBYEN-UHFFFAOYSA-N -2 0 390.339 2.998 20 0 GFADRL O=C([O-])COc1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2)cc1Cl ZINC000833259458 604807253 /nfs/dbraw/zinc/80/72/53/604807253.db2.gz PLFHIFZQESSLOR-UHFFFAOYSA-N -2 0 377.205 2.653 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2n[nH]c(-c3ccc(C)o3)c2C)cc1C(=O)[O-] ZINC000433612783 604808331 /nfs/dbraw/zinc/80/83/31/604808331.db2.gz OZDYCLXPASJQGB-UHFFFAOYSA-N -2 0 391.405 2.794 20 0 GFADRL COc1ccc(S(=O)(=O)[N-]c2ccc(C(C)=O)c(C)c2)c(OC)c1C(=O)[O-] ZINC000833734502 604862101 /nfs/dbraw/zinc/86/21/01/604862101.db2.gz IPBSZSVHEHUHFD-UHFFFAOYSA-N -2 0 393.417 2.714 20 0 GFADRL CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2nn(-c3ccc(F)cc3)cc2[O-])C1 ZINC000833417348 605002553 /nfs/dbraw/zinc/00/25/53/605002553.db2.gz QIJUGKPAFHEPAI-LBPRGKRZSA-N -2 0 375.400 2.680 20 0 GFADRL CC(C)Oc1ccc(S(=O)(=O)[N-]C(=O)CCc2ccccc2C(=O)[O-])cc1 ZINC000833507067 605021716 /nfs/dbraw/zinc/02/17/16/605021716.db2.gz YWLJUXMMUCJAGO-UHFFFAOYSA-N -2 0 391.445 2.610 20 0 GFADRL COc1ccc(NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)c(C(=O)[O-])c1 ZINC000507617969 605027785 /nfs/dbraw/zinc/02/77/85/605027785.db2.gz BOCUIGMEZHXWGV-UHFFFAOYSA-N -2 0 399.808 2.854 20 0 GFADRL CC(C)C[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000833478107 605121564 /nfs/dbraw/zinc/12/15/64/605121564.db2.gz BNXKREDHHSNLQK-JTQLQIEISA-N -2 0 376.500 2.533 20 0 GFADRL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2 ZINC000833741415 605126653 /nfs/dbraw/zinc/12/66/53/605126653.db2.gz LVRZZJPHXSJORY-UHFFFAOYSA-N -3 0 381.431 2.742 20 0 GFADRL O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000832234848 605144217 /nfs/dbraw/zinc/14/42/17/605144217.db2.gz KYWWYYZBJLXAJJ-YHWZYXNKSA-N -2 0 388.399 2.510 20 0 GFADRL Cc1nc(C)n(-c2ccccc2[N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)n1 ZINC000477450577 605163513 /nfs/dbraw/zinc/16/35/13/605163513.db2.gz WMLHAEOHVIAUPD-UHFFFAOYSA-N -2 0 390.396 2.522 20 0 GFADRL Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)cc1C(=O)[O-] ZINC000833744838 605169811 /nfs/dbraw/zinc/16/98/11/605169811.db2.gz RKRVPWPDRNFKKT-UHFFFAOYSA-N -3 0 381.381 2.650 20 0 GFADRL CC(C)(C)OC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cn1 ZINC000833444237 605182947 /nfs/dbraw/zinc/18/29/47/605182947.db2.gz BWINWQSHMDOEIX-UHFFFAOYSA-N -2 0 383.382 2.521 20 0 GFADRL C[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000833602117 605188079 /nfs/dbraw/zinc/18/80/79/605188079.db2.gz PIADTGQWAZYZCV-BDAKNGLRSA-N -2 0 379.356 2.645 20 0 GFADRL CC(C)CCN1Cc2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])n(C)c3)c2C1 ZINC000833483483 605343074 /nfs/dbraw/zinc/34/30/74/605343074.db2.gz LUUMZSAGYNVNAZ-UHFFFAOYSA-N -2 0 391.493 2.886 20 0 GFADRL O=C([O-])N[C@H]1CCc2ncc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1 ZINC000834192918 606079887 /nfs/dbraw/zinc/07/98/87/606079887.db2.gz HTKQYZWPUVONCU-LBPRGKRZSA-N -2 0 381.841 2.661 20 0 GFADRL Cc1cc(Br)ncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000832858335 660803367 /nfs/dbraw/zinc/80/33/67/660803367.db2.gz CIKIUGFFCUECBS-UHFFFAOYSA-N -2 0 377.241 2.713 20 0 GFADRL COCCOc1cc(C)ccc1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000048382765 654705784 /nfs/dbraw/zinc/70/57/84/654705784.db2.gz FBWPGXDPDWFVJN-UHFFFAOYSA-N -2 0 385.463 2.889 20 0 GFADRL CCc1nn(C)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000271336592 655076417 /nfs/dbraw/zinc/07/64/17/655076417.db2.gz BXNQKVLLYGGCLJ-UHFFFAOYSA-N -2 0 377.344 2.500 20 0 GFADRL COC(=O)c1scc(C)c1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1C ZINC000275662966 655245971 /nfs/dbraw/zinc/24/59/71/655245971.db2.gz LZVAASBOLRSUNX-UHFFFAOYSA-N -2 0 383.447 2.959 20 0 GFADRL COC[C@H](C)Oc1ccc(Cl)cc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000276078491 655261056 /nfs/dbraw/zinc/26/10/56/655261056.db2.gz NZIQBYHZDLMFSZ-VIFPVBQESA-N -2 0 388.829 2.581 20 0 GFADRL N#Cc1cc(Br)cc(S(=O)(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000182927725 655348267 /nfs/dbraw/zinc/34/82/67/655348267.db2.gz UQGYUOXUHNJUQV-UHFFFAOYSA-N -2 0 398.194 2.735 20 0 GFADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Br)nc1 ZINC000319581181 655381687 /nfs/dbraw/zinc/38/16/87/655381687.db2.gz WPQBOUHWUXPCFL-UHFFFAOYSA-N -2 0 389.202 2.791 20 0 GFADRL Cc1cc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cnc1Br ZINC000323136255 655383455 /nfs/dbraw/zinc/38/34/55/655383455.db2.gz HTYNDCBBQBMATR-UHFFFAOYSA-N -2 0 399.266 2.971 20 0 GFADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccc(-c3csnn3)cc2)c1 ZINC000745978366 655757173 /nfs/dbraw/zinc/75/71/73/655757173.db2.gz UIUXKYDJZBVACM-UHFFFAOYSA-N -2 0 379.394 2.843 20 0 GFADRL O=C([O-])c1cc(F)c(Br)c(S(=O)(=O)[N-]c2cccc(O)c2)c1 ZINC000753524878 655855631 /nfs/dbraw/zinc/85/56/31/655855631.db2.gz ZYAALILJPGZXJN-UHFFFAOYSA-N -2 0 390.186 2.793 20 0 GFADRL COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC000753781440 655858618 /nfs/dbraw/zinc/85/86/18/655858618.db2.gz AKTHYVMERYMIEV-UHFFFAOYSA-N -2 0 375.324 2.920 20 0 GFADRL CCc1noc(C)c1[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000769636138 656283630 /nfs/dbraw/zinc/28/36/30/656283630.db2.gz QAFBTXTUUAMHPY-UHFFFAOYSA-N -2 0 395.256 2.868 20 0 GFADRL Cn1ncc([N-]S(=O)(=O)c2ccc(SC(F)(F)F)cc2)c1C(=O)[O-] ZINC000774621933 656542086 /nfs/dbraw/zinc/54/20/86/656542086.db2.gz OLSKRIALQVSKOJ-UHFFFAOYSA-N -2 0 381.357 2.531 20 0 GFADRL Cc1cc(=O)[nH]cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)c(Cl)c1F ZINC000779838969 656948408 /nfs/dbraw/zinc/94/84/08/656948408.db2.gz JXZLWKZFGWYMNI-UHFFFAOYSA-N -2 0 378.740 2.526 20 0 GFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)cc2O)c(F)c(Cl)c1F ZINC000779837343 656948427 /nfs/dbraw/zinc/94/84/27/656948427.db2.gz MXEHNLLTERQTIW-UHFFFAOYSA-N -2 0 381.715 2.962 20 0 GFADRL COc1ccc(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(OC)cc1Cl ZINC000790402170 657968811 /nfs/dbraw/zinc/96/88/11/657968811.db2.gz CLWVQXIOBYSACP-UHFFFAOYSA-N -2 0 389.788 2.995 20 0 GFADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000799744518 659220770 /nfs/dbraw/zinc/22/07/70/659220770.db2.gz DSXVNSGRENNUTO-WKEGUHRASA-N -2 0 394.198 2.859 20 0 GFADRL CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2C)c(C(=O)[O-])c1 ZINC000806633620 659837954 /nfs/dbraw/zinc/83/79/54/659837954.db2.gz YQABDFZKGYKEAM-UHFFFAOYSA-N -2 0 383.813 2.501 20 0 GFADRL O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1cccc(Cl)c1F ZINC000852734792 661872675 /nfs/dbraw/zinc/87/26/75/661872675.db2.gz DFIFFHIPYQZDQM-CMPLNLGQSA-N -2 0 382.741 2.575 20 0 GFADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)/C=C/c2csc(C(F)(F)F)c2)C1 ZINC000910183699 664198350 /nfs/dbraw/zinc/19/83/50/664198350.db2.gz NUZAIKQVAMOLKJ-NEXJUCSLSA-N -2 0 377.340 2.557 20 0 GFADRL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(Br)nc2)cc1C(=O)[O-] ZINC000389272952 677408230 /nfs/dbraw/zinc/40/82/30/677408230.db2.gz RLCZVODDDCUEMM-UHFFFAOYSA-N -2 0 385.239 2.960 20 0 GFADRL