smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](C(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC001123269516 939818756 /nfs/dbraw/zinc/81/87/56/939818756.db2.gz ZDMXREKGLHVXQW-ZHRRBRCNSA-N -1 3 400.906 3.679 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3CCN(c4cccc(Cl)c4)C3=O)nc2)n1 ZINC000301571751 970985714 /nfs/dbraw/zinc/98/57/14/970985714.db2.gz RKOJNJXTZNNWQR-KRWDZBQOSA-N -1 3 409.877 3.677 20 0 HHADHM Cc1nc2c(c(N3CCC(C(=O)Nc4cc(Cl)ccc4[O-])CC3)n1)CCCC2 ZINC000302030847 971155835 /nfs/dbraw/zinc/15/58/35/971155835.db2.gz BXGOILVUYJSZEM-UHFFFAOYSA-N -1 3 400.910 3.878 20 0 HHADHM O=C(c1ccc([O-])cc1)N1CCN(c2ccnc3c(Br)cccc23)CC1 ZINC000302597463 971261682 /nfs/dbraw/zinc/26/16/82/971261682.db2.gz BMMPFLHDVMGYMM-UHFFFAOYSA-N -1 3 412.287 3.665 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCCC[C@H]1c1nnc(C2CCOCC2)o1 ZINC000553115137 1013078041 /nfs/dbraw/zinc/07/80/41/1013078041.db2.gz DZQQORZWLWJPDY-SFHVURJKSA-N -1 3 417.481 3.885 20 0 HHADHM Cc1nc(-c2ccc(Cl)s2)sc1C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000303018352 971457567 /nfs/dbraw/zinc/45/75/67/971457567.db2.gz LBFWGQWODQOYSA-UHFFFAOYSA-N -1 3 421.931 3.699 20 0 HHADHM CC(C)COC(=O)N1CCCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000303092471 971499475 /nfs/dbraw/zinc/49/94/75/971499475.db2.gz DPPOIZVUSVGLPI-UHFFFAOYSA-N -1 3 410.514 3.924 20 0 HHADHM O=C(Nc1ccc(N2CCCC2)c(Cl)c1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000303278346 971594027 /nfs/dbraw/zinc/59/40/27/971594027.db2.gz JJSSSJAKMPBNQT-IBGZPJMESA-N -1 3 413.905 3.889 20 0 HHADHM CCC[C@@H]1CCc2nc([N-]C(=O)c3sccc3S(=O)(=O)N(C)C)sc2C1 ZINC000303491131 971789762 /nfs/dbraw/zinc/78/97/62/971789762.db2.gz PZMLYXKFQWXDMF-LLVKDONJSA-N -1 3 413.590 3.612 20 0 HHADHM Cc1ccc([C@H]2CCCCCN2C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)o1 ZINC000303738869 971993161 /nfs/dbraw/zinc/99/31/61/971993161.db2.gz HQZTUIKLUSVZQM-CYBMUJFWSA-N -1 3 416.952 3.725 20 0 HHADHM CS(=O)(=O)[N-]c1cncc(C(=O)N2CCCCC[C@@H]2/C=C\c2cccs2)c1 ZINC000542182754 1013122584 /nfs/dbraw/zinc/12/25/84/1013122584.db2.gz NQVFFDGOYYDPMQ-XZVRFQMRSA-N -1 3 405.545 3.613 20 0 HHADHM CCc1nc(CC[N-]S(=O)(=O)c2cc(Br)ccc2Cl)cs1 ZINC000524314628 1013131733 /nfs/dbraw/zinc/13/17/33/1013131733.db2.gz IWFZRBGFFBXLKW-UHFFFAOYSA-N -1 3 409.758 3.642 20 0 HHADHM Cc1cccc([C@H]2CCCN2C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)c1C ZINC000303837518 972373798 /nfs/dbraw/zinc/37/37/98/972373798.db2.gz CMEGNIQCMRAXLU-OAHLLOKOSA-N -1 3 412.964 3.660 20 0 HHADHM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(-n2nnnc2C(C)C)c(C)c1 ZINC000542234464 1013190413 /nfs/dbraw/zinc/19/04/13/1013190413.db2.gz IOVKBGPJSPAVJC-UHFFFAOYSA-N -1 3 405.911 3.857 20 0 HHADHM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccnc(N3CCc4ccccc4C3)c2)c1 ZINC000553259394 1013225763 /nfs/dbraw/zinc/22/57/63/1013225763.db2.gz MIXSNCDFLXUHCJ-UHFFFAOYSA-N -1 3 402.454 3.561 20 0 HHADHM CCc1cc2c(CN(C)CC(=O)Nc3ccccc3SC)cc(=O)oc2cc1[O-] ZINC000007266420 961096114 /nfs/dbraw/zinc/09/61/14/961096114.db2.gz WIKPKKJJONSKRZ-UHFFFAOYSA-N -1 3 412.511 3.853 20 0 HHADHM COCCOC(=O)c1sc2[n-]c(C(Cl)=Cc3cccs3)nc(=O)c2c1C ZINC000007502965 961218837 /nfs/dbraw/zinc/21/88/37/961218837.db2.gz QZLTYNJUXQKRHA-FLIBITNWSA-N -1 3 410.904 3.895 20 0 HHADHM C[C@H](c1ccccc1)N(C)C(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000007901395 961367199 /nfs/dbraw/zinc/36/71/99/961367199.db2.gz SPGAIEYNKYCDDR-OAHLLOKOSA-N -1 3 419.510 3.833 20 0 HHADHM Cc1csc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)ccc2C)n1 ZINC000010555154 961847830 /nfs/dbraw/zinc/84/78/30/961847830.db2.gz OLHNDZGKOQVEEO-UHFFFAOYSA-N -1 3 405.476 3.952 20 0 HHADHM CN1c2ccc(S(=O)(=O)[N-]c3ccc(OCc4ccccc4)cc3)cc2CC1=O ZINC000012647506 962307816 /nfs/dbraw/zinc/30/78/16/962307816.db2.gz KMSNXQDEBXDKSS-UHFFFAOYSA-N -1 3 408.479 3.585 20 0 HHADHM Cc1ncc(CNC(=O)NC[C@H]2CC3c4ccccc4C2c2ccccc23)c(=O)[n-]1 ZINC000542379292 1013334902 /nfs/dbraw/zinc/33/49/02/1013334902.db2.gz XUOGSNJPEZLVLU-IYJORBIASA-N -1 3 400.482 3.587 20 0 HHADHM CC(C)[C@H](C[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)c1cccnc1 ZINC000553425909 1013344172 /nfs/dbraw/zinc/34/41/72/1013344172.db2.gz GSYSXQLICWURNI-ZDUSSCGKSA-N -1 3 406.401 3.837 20 0 HHADHM CCCOc1ccc(C(=O)N[N-]C(=O)c2cc(SC)ccc2Cl)cc1OC ZINC000015476949 962770170 /nfs/dbraw/zinc/77/01/70/962770170.db2.gz WJIBPLMFQOFOMG-UHFFFAOYSA-N -1 3 408.907 3.934 20 0 HHADHM O=C1c2ccccc2N[C@H](c2ccc([O-])c(Br)c2)N1C[C@H]1CCCO1 ZINC000015503839 962777734 /nfs/dbraw/zinc/77/77/34/962777734.db2.gz RBESWAVKPLRPBA-ACJLOTCBSA-N -1 3 403.276 3.900 20 0 HHADHM COc1ccc(Br)c(C(=O)[N-]NC(=O)CCSc2ccc(C)cc2)c1 ZINC000015561251 962793502 /nfs/dbraw/zinc/79/35/02/962793502.db2.gz FVNXVUXSHFRXCP-UHFFFAOYSA-N -1 3 423.332 3.710 20 0 HHADHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(Br)cc2F)ccc1Cl ZINC000016129468 962955371 /nfs/dbraw/zinc/95/53/71/962955371.db2.gz GOPSULXUELWDSV-UHFFFAOYSA-N -1 3 409.620 3.951 20 0 HHADHM COc1ccc(NC(=O)c2ccoc2)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000016226204 962986554 /nfs/dbraw/zinc/98/65/54/962986554.db2.gz DEYPKQDVHWWEFQ-UHFFFAOYSA-N -1 3 406.847 3.995 20 0 HHADHM Cc1nc(C)c(CCC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)c(=O)[n-]1 ZINC000016468007 963048658 /nfs/dbraw/zinc/04/86/58/963048658.db2.gz LWXIOLMHBFOAEK-UHFFFAOYSA-N -1 3 418.213 3.739 20 0 HHADHM Cc1ccc([C@H]2OCCC[C@H]2[N-]S(=O)(=O)c2cccnc2C(F)(F)F)cc1 ZINC000553488564 1013393189 /nfs/dbraw/zinc/39/31/89/1013393189.db2.gz ACWQIGURRPCLNB-GDBMZVCRSA-N -1 3 400.422 3.607 20 0 HHADHM COc1ccccc1NC(=O)c1ccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)cc1 ZINC000016719516 963091006 /nfs/dbraw/zinc/09/10/06/963091006.db2.gz SJEGYXRRYRAGQV-XMHGGMMESA-N -1 3 413.433 3.671 20 0 HHADHM C[C@@H](CN(C)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)c1nccs1 ZINC000542447482 1013395962 /nfs/dbraw/zinc/39/59/62/1013395962.db2.gz VZTHRBDLNUJHHK-JTQLQIEISA-N -1 3 406.305 3.623 20 0 HHADHM COc1cc(Br)c(S(=O)(=O)[N-]c2cc(C)ccc2F)cc1OC ZINC000017319759 963187013 /nfs/dbraw/zinc/18/70/13/963187013.db2.gz LNSHNOOKMHBBSO-UHFFFAOYSA-N -1 3 404.257 3.715 20 0 HHADHM Cc1c([O-])ccc2c(Cn3nnc(-c4cccc(C(F)(F)F)c4)n3)cc(=O)oc12 ZINC000018709537 963328350 /nfs/dbraw/zinc/32/83/50/963328350.db2.gz VNEMBDBGZGWCGN-UHFFFAOYSA-N -1 3 402.332 3.528 20 0 HHADHM COc1cc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)c(OC)c(C)c1OC ZINC000553540570 1013436762 /nfs/dbraw/zinc/43/67/62/1013436762.db2.gz WGXVWDKTWDPUJA-UHFFFAOYSA-N -1 3 400.406 3.562 20 0 HHADHM O=c1nc(CN2CCN(Cc3cccs3)CC2)[n-]c2scc(-c3ccco3)c21 ZINC000022788875 963717274 /nfs/dbraw/zinc/71/72/74/963717274.db2.gz MZLDJIJRBDKKCZ-UHFFFAOYSA-N -1 3 412.540 3.624 20 0 HHADHM O=C(Cc1ccc(Br)cc1)N[N-]C(=O)c1ccc(Cl)cc1Cl ZINC000023712061 963879980 /nfs/dbraw/zinc/87/99/80/963879980.db2.gz ZYHFRGFNIFTSAU-UHFFFAOYSA-N -1 3 402.075 3.760 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC(Oc4ccc(OC)cc4)CC3)nc2)n1 ZINC000553564822 1013460966 /nfs/dbraw/zinc/46/09/66/1013460966.db2.gz TXEYUIKFZNJVQR-UHFFFAOYSA-N -1 3 406.486 3.863 20 0 HHADHM O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000024548663 964016016 /nfs/dbraw/zinc/01/60/16/964016016.db2.gz UNGGHABYYRPARQ-UHFFFAOYSA-N -1 3 402.369 3.538 20 0 HHADHM Cc1nn(-c2ccc(C(=O)Nc3ccccc3[N-]S(C)(=O)=O)cc2)c(C)c1Cl ZINC000024888215 964101367 /nfs/dbraw/zinc/10/13/67/964101367.db2.gz WRTHZEWJVOKIKX-UHFFFAOYSA-N -1 3 418.906 3.766 20 0 HHADHM Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000024891747 964102678 /nfs/dbraw/zinc/10/26/78/964102678.db2.gz DEMWJHNVLARUEL-UHFFFAOYSA-N -1 3 405.476 3.881 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H]3COc4ccc(Cl)cc4C3)c2)n1 ZINC000049302501 964146240 /nfs/dbraw/zinc/14/62/40/964146240.db2.gz XNJBFZONBLDISO-OAHLLOKOSA-N -1 3 409.873 3.843 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C[C@H](NC(C)=O)c3ccc(C)cc3)c2)n1 ZINC000049304179 964147913 /nfs/dbraw/zinc/14/79/13/964147913.db2.gz KIJSPMBYJNWDOP-NRFANRHFSA-N -1 3 418.497 3.514 20 0 HHADHM COC(=O)c1cc(C)nc2nc(SCc3cccc(OC(F)F)c3)[n-]c(=O)c21 ZINC000050248480 964295298 /nfs/dbraw/zinc/29/52/98/964295298.db2.gz NOFDLQVWGVGMDZ-UHFFFAOYSA-N -1 3 407.398 3.719 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(N3C[C@H](c4ccccc4)[C@@H]4COCC[C@H]43)nc2)n1 ZINC000553604166 1013491455 /nfs/dbraw/zinc/49/14/55/1013491455.db2.gz QKFISGZHGQIGSS-QHAWAJNXSA-N -1 3 402.498 3.816 20 0 HHADHM O=C(NCC1(c2ccc3c(c2)OCCO3)CCCC1)c1c[n-]c2ccccc2c1=O ZINC000025865778 964377832 /nfs/dbraw/zinc/37/78/32/964377832.db2.gz WLNMGKQKUAXFAZ-UHFFFAOYSA-N -1 3 404.466 3.541 20 0 HHADHM Cc1ccc(-n2nnnc2SCc2nc(=O)c3c(-c4ccco4)csc3[n-]2)cc1 ZINC000025931640 964394476 /nfs/dbraw/zinc/39/44/76/964394476.db2.gz URMMRQCAWLUHSU-UHFFFAOYSA-N -1 3 422.495 3.821 20 0 HHADHM Cn1c(SCc2nc(=O)c3c(-c4ccco4)csc3[n-]2)nnc1-c1cccnc1 ZINC000026037497 964426611 /nfs/dbraw/zinc/42/66/11/964426611.db2.gz JLGRTHIRWPUASC-UHFFFAOYSA-N -1 3 422.495 3.727 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(NC(=O)CC(C)C)cc2)cc1OC ZINC000026538956 964594532 /nfs/dbraw/zinc/59/45/32/964594532.db2.gz SLWRZMWFRZJSSD-UHFFFAOYSA-N -1 3 406.504 3.798 20 0 HHADHM C[C@H](NCC1=Nc2ccccc2S(=O)(=O)[N-]1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000542566946 1013508311 /nfs/dbraw/zinc/50/83/11/1013508311.db2.gz PCFHRDQELJDXPK-OLZOCXBDSA-N -1 3 411.449 3.809 20 0 HHADHM CC1(C)CCCC[C@H]1NC(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000537931161 1013517245 /nfs/dbraw/zinc/51/72/45/1013517245.db2.gz DDRXBNVKJQOOSA-OAHLLOKOSA-N -1 3 424.282 3.831 20 0 HHADHM O=C(Nc1ccccc1)[C@H]1CCCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C1 ZINC000027572069 964921732 /nfs/dbraw/zinc/92/17/32/964921732.db2.gz PUYGBJUQISIVOW-HNNXBMFYSA-N -1 3 402.454 3.932 20 0 HHADHM COc1ccc(NC(=O)[C@H]2CCCN2Cc2nc3c4ccccc4oc3c(=O)[n-]2)cc1 ZINC000052714837 964962158 /nfs/dbraw/zinc/96/21/58/964962158.db2.gz QXQMPJFYILRCRO-QGZVFWFLSA-N -1 3 418.453 3.693 20 0 HHADHM CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3cc(Cl)c(N)c(Cl)c3)ccc21 ZINC000052781224 964986075 /nfs/dbraw/zinc/98/60/75/964986075.db2.gz DWLPLSDJSKPXAL-UHFFFAOYSA-N -1 3 414.314 3.676 20 0 HHADHM O=C(COC(=O)c1csc(-c2ccc(Cl)cc2)n1)[N-]C(=O)c1cccs1 ZINC000053024388 965044655 /nfs/dbraw/zinc/04/46/55/965044655.db2.gz YQGJAJJODMIUDX-UHFFFAOYSA-N -1 3 406.872 3.638 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(C)n3)ccc2C)cc1 ZINC000028194883 965055378 /nfs/dbraw/zinc/05/53/78/965055378.db2.gz GTRXOVJJOLZTOD-UHFFFAOYSA-N -1 3 411.483 3.760 20 0 HHADHM O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N1CC[C@@H]1c1ccccc1 ZINC000053080606 965057070 /nfs/dbraw/zinc/05/70/70/965057070.db2.gz ILCYQIDUUGIULX-MRXNPFEDSA-N -1 3 413.326 3.635 20 0 HHADHM Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)c2ccc([N-]S(C)(=O)=O)cc2)c(Cl)c1 ZINC000028892727 965209324 /nfs/dbraw/zinc/20/93/24/965209324.db2.gz OXXNKFWPBBISAG-ZDUSSCGKSA-N -1 3 424.906 3.512 20 0 HHADHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(C)c(Cl)cc2OC)ccc1F ZINC000029002258 965237192 /nfs/dbraw/zinc/23/71/92/965237192.db2.gz GHEPYZMOYPTLFF-UHFFFAOYSA-N -1 3 412.870 3.513 20 0 HHADHM CCCCOc1ccc(CCNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000053832415 965282269 /nfs/dbraw/zinc/28/22/69/965282269.db2.gz ICRHOQDTIYDNMH-NRFANRHFSA-N -1 3 410.514 3.535 20 0 HHADHM CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)cc1 ZINC000057123720 965296897 /nfs/dbraw/zinc/29/68/97/965296897.db2.gz QUXHPZJEMKMTOL-HNNXBMFYSA-N -1 3 402.516 3.964 20 0 HHADHM COC(=O)c1cc(Cl)c([N-]S(=O)(=O)c2ccc(C)cc2Cl)cc1OC ZINC000029336685 965349891 /nfs/dbraw/zinc/34/98/91/965349891.db2.gz KBMBQTHMBPGUGA-UHFFFAOYSA-N -1 3 404.271 3.898 20 0 HHADHM O=C(Nc1ccc2c[nH]nc2c1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000029373666 965362645 /nfs/dbraw/zinc/36/26/45/965362645.db2.gz QXYGMBLNKFHZGV-UHFFFAOYSA-N -1 3 410.430 3.755 20 0 HHADHM COc1ccccc1[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1F)N1CCCC1 ZINC000057425243 965445808 /nfs/dbraw/zinc/44/58/08/965445808.db2.gz BFTDSGXAYNALEQ-KRWDZBQOSA-N -1 3 412.914 3.603 20 0 HHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N(Cc2ccccc2F)C2CC2)ccc1F ZINC000029781446 965497347 /nfs/dbraw/zinc/49/73/47/965497347.db2.gz WAQPQGGWTAOIGG-UHFFFAOYSA-N -1 3 422.497 3.846 20 0 HHADHM O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)Nc1ccc2ccccc2n1 ZINC000057807340 965551685 /nfs/dbraw/zinc/55/16/85/965551685.db2.gz JNRLNFIRYVMCMI-UHFFFAOYSA-N -1 3 424.309 3.849 20 0 HHADHM CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)[N-]c3c(C)cccc3C(C)C)ccc2O1 ZINC000538010563 1013582926 /nfs/dbraw/zinc/58/29/26/1013582926.db2.gz JRCAGUNDKQBELL-IBGZPJMESA-N -1 3 403.500 3.786 20 0 HHADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)NCc3ccc(F)cc3)c2)c1 ZINC000030017043 965597990 /nfs/dbraw/zinc/59/79/90/965597990.db2.gz VQPBLGREOSQHMR-UHFFFAOYSA-N -1 3 424.428 3.731 20 0 HHADHM COc1ccccc1-c1noc([C@@H](C)[N-]S(=O)(=O)c2ccc(OC(C)C)cc2)n1 ZINC000538012558 1013584437 /nfs/dbraw/zinc/58/44/37/1013584437.db2.gz SECOMABWQGSHQW-CQSZACIVSA-N -1 3 417.487 3.572 20 0 HHADHM O=C(NCc1cc(F)cc(F)c1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000030159665 965624355 /nfs/dbraw/zinc/62/43/55/965624355.db2.gz WSNNQMKZKMLJDF-UHFFFAOYSA-N -1 3 420.412 3.835 20 0 HHADHM Cc1cc(C)cc(OCC(=O)N[N-]C(=O)c2ccc(Br)cc2Cl)c1 ZINC000054882005 965680882 /nfs/dbraw/zinc/68/08/82/965680882.db2.gz GTOVFIIUZCVGOG-UHFFFAOYSA-N -1 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409.461 3.842 20 0 HHADHM O=C(NCc1ccc([O-])c(F)c1)C(=O)Nc1ccccc1-c1c(F)cccc1F ZINC000426569179 974534916 /nfs/dbraw/zinc/53/49/16/974534916.db2.gz XLZJFSUTOROAHJ-UHFFFAOYSA-N -1 3 400.356 3.731 20 0 HHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)Nc1cccc(NC(=O)C2CCCCC2)c1 ZINC000426629681 974571866 /nfs/dbraw/zinc/57/18/66/974571866.db2.gz RJWNTRWXVJNIIH-UHFFFAOYSA-N -1 3 406.442 3.733 20 0 HHADHM COc1cc(Br)c(CNC[C@]2(CC(=O)[O-])CC[C@H](C)C2)c(OC)c1 ZINC000426641851 974577927 /nfs/dbraw/zinc/57/79/27/974577927.db2.gz CCLJPZUNJPZHQS-KPZWWZAWSA-N -1 3 400.313 3.837 20 0 HHADHM COc1ccc(CNCCC[C@H](Cc2ccccc2)C(=O)[O-])c(Br)c1O ZINC000426673889 974594010 /nfs/dbraw/zinc/59/40/10/974594010.db2.gz HXXMMPMLPISQOK-OAHLLOKOSA-N -1 3 422.319 3.977 20 0 HHADHM CCOc1c(Br)cc(CNCc2ccccc2CC(=O)[O-])cc1OC ZINC000426709641 974609334 /nfs/dbraw/zinc/60/93/34/974609334.db2.gz RWTRRTVZUFHSKM-UHFFFAOYSA-N -1 3 408.292 3.773 20 0 HHADHM Cn1c(CN[C@@H](CSCCc2ccccc2)C(=O)[O-])nc2ccc(Cl)cc21 ZINC000426719617 974614126 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3.911 20 0 HHADHM COc1ccc(C(=O)Nc2cccc(CN[C@@H](C(=O)[O-])c3ccc(O)cc3)c2)cc1 ZINC000426809520 974676761 /nfs/dbraw/zinc/67/67/61/974676761.db2.gz DTBLEUNKLOGJCV-OAQYLSRUSA-N -1 3 406.438 3.569 20 0 HHADHM COc1ccc([C@H](CC(=O)[O-])NCc2ccc(Br)s2)cc1OC ZINC000426810653 974677377 /nfs/dbraw/zinc/67/73/77/974677377.db2.gz PRZGJKHRMCTPCE-LBPRGKRZSA-N -1 3 400.294 3.833 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N3CCC(C)(C(C)C)CC3)c2)n1 ZINC000426814828 974681161 /nfs/dbraw/zinc/68/11/61/974681161.db2.gz ILABTBPBRFDODZ-UHFFFAOYSA-N -1 3 410.518 3.635 20 0 HHADHM Cc1nc(COc2ccc(CN[C@H](CC(=O)[O-])c3cccc(Cl)c3)cc2)no1 ZINC000426821722 974686806 /nfs/dbraw/zinc/68/68/06/974686806.db2.gz WEAFYZNPYGRDEF-GOSISDBHSA-N -1 3 401.850 3.916 20 0 HHADHM CC(C)C[C@@H](C)n1nccc1NC(=O)CS(=O)(=O)[N-]c1ccc(OC(C)C)cc1 ZINC000426873347 974724575 /nfs/dbraw/zinc/72/45/75/974724575.db2.gz DVWLSCDOGCMTQE-MRXNPFEDSA-N -1 3 422.551 3.658 20 0 HHADHM COc1cc2c(cc1F)[n-]cc(C(=O)Nc1ccc(C(F)(F)F)c(OC)c1)c2=O 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VMDXBLAOIMMRDT-UHFFFAOYSA-N -1 3 401.835 3.707 20 0 HHADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H](O)Cc1cccc(C(F)(F)F)c1 ZINC000427662985 975230344 /nfs/dbraw/zinc/23/03/44/975230344.db2.gz BSFTVFVVMHIVMO-AWEZNQCLSA-N -1 3 404.182 3.716 20 0 HHADHM Cc1ccc(NC(=O)CS(=O)(=O)[N-]c2ccc(OC(C)C)cc2)cc1OC(C)C ZINC000427794103 975292570 /nfs/dbraw/zinc/29/25/70/975292570.db2.gz RAWIMEMRIZSOSM-UHFFFAOYSA-N -1 3 420.531 3.950 20 0 HHADHM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccco1 ZINC000427810125 975302371 /nfs/dbraw/zinc/30/23/71/975302371.db2.gz XTGVASBVPBPMSA-OAQYLSRUSA-N -1 3 415.467 3.517 20 0 HHADHM COc1cccc(-c2noc([C@@H](C)[N-]S(=O)(=O)C[C@@H](C)c3ccccc3)n2)c1 ZINC000427837797 975315270 /nfs/dbraw/zinc/31/52/70/975315270.db2.gz QWZNWVHZUXFNKR-HUUCEWRRSA-N -1 3 401.488 3.529 20 0 HHADHM Cn1c2cc([O-])c(NC(=O)C(C)(C)Cc3ccc(C(F)(F)F)cc3)cc2n(C)c1=O ZINC000427875403 975330316 /nfs/dbraw/zinc/33/03/16/975330316.db2.gz SZRNCRLJFJTJBE-UHFFFAOYSA-N -1 3 421.419 3.809 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N1CCS[C@H](C)CC1 ZINC000427923586 975351667 /nfs/dbraw/zinc/35/16/67/975351667.db2.gz NTJIXCOOGDCWGB-OAHLLOKOSA-N -1 3 422.547 3.903 20 0 HHADHM C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCC[C@H]1C(=O)NCc1ccc([O-])c(F)c1 ZINC000427953190 975364761 /nfs/dbraw/zinc/36/47/61/975364761.db2.gz XDRFSAPYCPIAHW-ATZDWAIDSA-N -1 3 410.489 3.932 20 0 HHADHM COc1cc(C(=O)N2CCc3c(Br)cc(C)cc3C2)cc(OC)c1[O-] ZINC000428061241 975412910 /nfs/dbraw/zinc/41/29/10/975412910.db2.gz RZEILSNKBQXMSY-UHFFFAOYSA-N -1 3 406.276 3.679 20 0 HHADHM Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)CCc3c(C)nc(-c4ccncc4)[n-]c3=O)C2)cc1 ZINC000428330598 975638463 /nfs/dbraw/zinc/63/84/63/975638463.db2.gz NGICXOASXGPLGA-DYESRHJHSA-N -1 3 416.525 3.786 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CC[C@@H]4CCC[C@@H]43)c2)cc1 ZINC000428538239 975838011 /nfs/dbraw/zinc/83/80/11/975838011.db2.gz WXGUONMXOMXASP-KKSFZXQISA-N -1 3 414.527 3.819 20 0 HHADHM CCOC(=O)C(=C([O-])Cn1c2ccccc2nc1C(F)(F)F)c1nc(C)cs1 ZINC000428648092 975948958 /nfs/dbraw/zinc/94/89/58/975948958.db2.gz KRLGRVZIXFASGE-AWEZNQCLSA-N -1 3 411.405 3.736 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(Cl)ccc2OC2CCCC2)c(C)o1 ZINC000428885459 976180634 /nfs/dbraw/zinc/18/06/34/976180634.db2.gz HTDABGXSRPLLHM-UHFFFAOYSA-N -1 3 412.895 3.723 20 0 HHADHM COc1ccccc1-c1nc([N-]C(=O)c2cc(Br)c(F)cc2F)n[nH]1 ZINC000429591262 976869018 /nfs/dbraw/zinc/86/90/18/976869018.db2.gz JCNADDFHIMMSFL-UHFFFAOYSA-N -1 3 409.190 3.773 20 0 HHADHM O=S(=O)([N-]C[C@@H](CCO)c1ccccc1)c1cc(Cl)ccc1Br ZINC000429821436 977092570 /nfs/dbraw/zinc/09/25/70/977092570.db2.gz NVWBPRLMVCAKFS-CYBMUJFWSA-N -1 3 418.740 3.547 20 0 HHADHM O=S(=O)([N-]C[C@H](CCO)c1ccccc1)c1cc(Cl)ccc1Br ZINC000429821437 977092807 /nfs/dbraw/zinc/09/28/07/977092807.db2.gz NVWBPRLMVCAKFS-ZDUSSCGKSA-N -1 3 418.740 3.547 20 0 HHADHM O=S(=O)([N-][C@H]1CCc2c1cccc2O)c1cc(Cl)ccc1Br ZINC000429834590 977105195 /nfs/dbraw/zinc/10/51/95/977105195.db2.gz WYMKRXNQXCBMSW-ZDUSSCGKSA-N -1 3 402.697 3.774 20 0 HHADHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)[C@H]1COc2ccccc21 ZINC000429834768 977105358 /nfs/dbraw/zinc/10/53/58/977105358.db2.gz XRGKPLKUOVPZRZ-ZWNOBZJWSA-N -1 3 416.724 3.946 20 0 HHADHM Cc1nc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2Br)sc1C ZINC000429849951 977122461 /nfs/dbraw/zinc/12/24/61/977122461.db2.gz LHCSHSJNFLJRPL-UHFFFAOYSA-N -1 3 409.758 3.697 20 0 HHADHM O=S(=O)([N-][C@H]1CCCC[C@H]1n1cccn1)c1cc(Cl)ccc1Br ZINC000429860311 977132064 /nfs/dbraw/zinc/13/20/64/977132064.db2.gz LROWUZKCPARPIL-UONOGXRCSA-N -1 3 418.744 3.761 20 0 HHADHM COC1CCC(CC[N-]S(=O)(=O)c2cc(Cl)ccc2Br)CC1 ZINC000429902284 977178144 /nfs/dbraw/zinc/17/81/44/977178144.db2.gz VSKFCHXPQJGCOT-UHFFFAOYSA-N -1 3 410.761 3.976 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N(C)Cc3cc(C)ccc3C)c2)n1 ZINC000430025951 977279929 /nfs/dbraw/zinc/27/99/29/977279929.db2.gz JZSIKMIKDGJSPN-UHFFFAOYSA-N -1 3 418.497 3.626 20 0 HHADHM CCOc1cc(C(=O)NC[C@@H]2CSCCN2Cc2ccccc2)cc(Cl)c1[O-] ZINC000430099398 977318523 /nfs/dbraw/zinc/31/85/23/977318523.db2.gz LEYVUWVAPVUAMQ-QGZVFWFLSA-N -1 3 420.962 3.792 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)NC[C@H](CO)Cc1ccc(Br)cc1 ZINC000430148081 977348887 /nfs/dbraw/zinc/34/88/87/977348887.db2.gz QJIQVRGUKCABMY-MRXNPFEDSA-N -1 3 424.310 3.584 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N[C@H]1CCc2ccc(-c3ccccc3)cc21 ZINC000430186850 977378718 /nfs/dbraw/zinc/37/87/18/977378718.db2.gz AQRBXZCPZFYAGQ-INIZCTEOSA-N -1 3 401.392 3.977 20 0 HHADHM CCOC(=O)c1ccc(NC(=O)c2cc(Br)c(F)cc2F)c([O-])c1 ZINC000430279373 977443601 /nfs/dbraw/zinc/44/36/01/977443601.db2.gz MDZHGIXHZYAGSO-UHFFFAOYSA-N -1 3 400.175 3.862 20 0 HHADHM Cc1ncc(CNC(=O)N[C@H](CC2CC2)c2cc(F)cc(Br)c2)c(=O)[n-]1 ZINC000430294745 977454539 /nfs/dbraw/zinc/45/45/39/977454539.db2.gz AEZXSGZIDVURHE-MRXNPFEDSA-N -1 3 423.286 3.733 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)c1cccc(Br)c1F ZINC000430294778 977454676 /nfs/dbraw/zinc/45/46/76/977454676.db2.gz PDIYNBYTQRCERD-UHFFFAOYSA-N -1 3 403.045 3.986 20 0 HHADHM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3c4c(ccc3Cl)CC(C)(C)O4)cc21 ZINC000430381194 977513988 /nfs/dbraw/zinc/51/39/88/977513988.db2.gz ZZDWCPBIWGRURA-UHFFFAOYSA-N -1 3 420.918 3.763 20 0 HHADHM Cc1nc(CCNC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)c(C)o1 ZINC000430567551 977635849 /nfs/dbraw/zinc/63/58/49/977635849.db2.gz BCYCMSUTCYXYIB-UHFFFAOYSA-N -1 3 424.682 3.521 20 0 HHADHM Cc1cnccc1CCNC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430581866 977643415 /nfs/dbraw/zinc/64/34/15/977643415.db2.gz IHGLFONTBCNDEJ-UHFFFAOYSA-N -1 3 420.694 3.620 20 0 HHADHM CC[C@H](NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O)[C@@H]1CCCO1 ZINC000430589670 977646349 /nfs/dbraw/zinc/64/63/49/977646349.db2.gz AUEUBJFQRNTVKU-KBPBESRZSA-N -1 3 413.699 3.631 20 0 HHADHM C[C@@H]1CN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)[C@@H](C)[C@@H](C)O1 ZINC000430603849 977652115 /nfs/dbraw/zinc/65/21/15/977652115.db2.gz LNKDALBOKVQEGB-KXUCPTDWSA-N -1 3 413.699 3.582 20 0 HHADHM C[C@H]1COC(C)(C)CN1C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430614040 977654985 /nfs/dbraw/zinc/65/49/85/977654985.db2.gz XMWGLPWVCSIKRB-VIFPVBQESA-N -1 3 413.699 3.584 20 0 HHADHM Cc1nc(-c2ccc(N3C(=O)[C@@H]4C[C@H](C5CCCCC5)CN4C3=O)cc2)cc(=O)[n-]1 ZINC000430939845 977902218 /nfs/dbraw/zinc/90/22/18/977902218.db2.gz HXAUGRITJIYOBG-PXNSSMCTSA-N -1 3 406.486 3.895 20 0 HHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H]1c2cccc(F)c2CC[C@@H]1C ZINC000431052108 977981108 /nfs/dbraw/zinc/98/11/08/977981108.db2.gz UHPRFSYUVIISDK-ZSEKCTLFSA-N -1 3 406.461 3.674 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C2(c3ccc4c(c3)OCO4)CC2)s1 ZINC000431280571 978166386 /nfs/dbraw/zinc/16/63/86/978166386.db2.gz OMEAAQJSOKSNSI-UHFFFAOYSA-N -1 3 416.318 3.515 20 0 HHADHM C[C@H](O)C[C@@H](C[N-]S(=O)(=O)c1csc(-c2ccccc2)n1)c1ccccc1 ZINC000431310875 978196747 /nfs/dbraw/zinc/19/67/47/978196747.db2.gz FUDYEJVWISYMJM-YJBOKZPZSA-N -1 3 402.541 3.643 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@H](C[C@@H](C)O)c2ccccc2)s1 ZINC000431313878 978199149 /nfs/dbraw/zinc/19/91/49/978199149.db2.gz NWHFZSBNAKVMKO-BXUZGUMPSA-N -1 3 418.378 3.652 20 0 HHADHM COC(=O)c1ccc(C(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)[n-]1 ZINC000431351664 978229664 /nfs/dbraw/zinc/22/96/64/978229664.db2.gz RDXVQYANWWZXKM-UHFFFAOYSA-N -1 3 420.288 3.863 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)Nc1ccc2nc(C3CC3)oc2c1 ZINC000431434400 978295784 /nfs/dbraw/zinc/29/57/84/978295784.db2.gz NYXODUDCICEECL-UHFFFAOYSA-N -1 3 415.453 3.730 20 0 HHADHM O=S(=O)([N-][C@H]1C[C@H](c2ccc(F)cc2)C1)c1cc(F)ccc1Br ZINC000431624064 978392825 /nfs/dbraw/zinc/39/28/25/978392825.db2.gz VDHAOJDJECLTLN-YEORSEQZSA-N -1 3 402.260 3.952 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(C)nc3)ccc2C)cc1 ZINC000431896414 978584968 /nfs/dbraw/zinc/58/49/68/978584968.db2.gz ORYJLFIMBLJYMZ-UHFFFAOYSA-N -1 3 411.483 3.760 20 0 HHADHM CCOc1cccc2cc([C@@H](C)[N-]S(=O)(=O)c3cc(C(=O)OC)c(C)o3)oc21 ZINC000432021823 978649624 /nfs/dbraw/zinc/64/96/24/978649624.db2.gz WHNGHKPDQZEEBY-LLVKDONJSA-N -1 3 407.444 3.559 20 0 HHADHM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C(=O)N3CCCC3)c(F)c2)c1 ZINC000432054767 978662695 /nfs/dbraw/zinc/66/26/95/978662695.db2.gz WIFDTLQGRYIRJU-UHFFFAOYSA-N -1 3 424.881 3.719 20 0 HHADHM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)CCCC2=O)c1ccco1 ZINC000432209112 978714755 /nfs/dbraw/zinc/71/47/55/978714755.db2.gz XINPUBMDLVCMLR-JOCHJYFZSA-N -1 3 411.479 3.875 20 0 HHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cncc(-c4ccc5c(c4)CCO5)c3)cc2)n1 ZINC000432445582 978816087 /nfs/dbraw/zinc/81/60/87/978816087.db2.gz HPJGRFLFAHKGOK-UHFFFAOYSA-N -1 3 424.460 3.995 20 0 HHADHM CC(=O)[C@H](C)CCCCC(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000432497748 978849828 /nfs/dbraw/zinc/84/98/28/978849828.db2.gz ZTXXODVTWOZIMD-LLVKDONJSA-N -1 3 408.442 3.801 20 0 HHADHM COC(=O)c1cnc(SCC(=O)Nc2nc(C)c(Cc3ccc(C)cc3)s2)[n-]1 ZINC000432666828 978929633 /nfs/dbraw/zinc/92/96/33/978929633.db2.gz GTFAMGRHHRSING-UHFFFAOYSA-N -1 3 416.528 3.591 20 0 HHADHM COC(=O)c1cnc(S[C@@H](C)c2nc(=O)c3c4c(sc3[nH]2)C[C@@H](C)CC4)[n-]1 ZINC000432668860 978930383 /nfs/dbraw/zinc/93/03/83/978930383.db2.gz LCEXZYNQWDOSCC-IUCAKERBSA-N -1 3 404.517 3.885 20 0 HHADHM CCNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2cc(C(C)C)c(OC)cc2C)c1 ZINC000432759085 978962329 /nfs/dbraw/zinc/96/23/29/978962329.db2.gz QDVORBOKPHUQPH-UHFFFAOYSA-N -1 3 404.532 3.986 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(CC(=O)N(C)C)cc2)cc1C(C)C ZINC000432765229 978965580 /nfs/dbraw/zinc/96/55/80/978965580.db2.gz LQROWHUDNOHHTO-UHFFFAOYSA-N -1 3 404.532 3.559 20 0 HHADHM CN(C)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCCC3)cc2)cc1 ZINC000432772513 978970263 /nfs/dbraw/zinc/97/02/63/978970263.db2.gz VHSMVTSNUIGHEM-UHFFFAOYSA-N -1 3 401.532 3.616 20 0 HHADHM O=S(=O)([N-][C@H](c1cc(F)ccc1F)C(F)F)c1cnc(-c2ccccc2)nc1 ZINC000432966061 979027634 /nfs/dbraw/zinc/02/76/34/979027634.db2.gz JDGPZAMLFYNHEE-MRXNPFEDSA-N -1 3 411.380 3.707 20 0 HHADHM Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1[N-]S(=O)(=O)c1ccccc1F ZINC000433371744 979259418 /nfs/dbraw/zinc/25/94/18/979259418.db2.gz FKOMLSHUULIPDN-GOSISDBHSA-N -1 3 414.506 3.578 20 0 HHADHM CSC1(CNC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)ccc2C)CC1 ZINC000433706270 979503223 /nfs/dbraw/zinc/50/32/23/979503223.db2.gz DZAPDIDSHNRQDX-UHFFFAOYSA-N -1 3 408.520 3.560 20 0 HHADHM C[C@@H]1CCc2onc(C(=O)N3CCC(C(=O)Nc4cc(Cl)ccc4[O-])CC3)c2C1 ZINC000433712726 979507073 /nfs/dbraw/zinc/50/70/73/979507073.db2.gz IZOXTIOQJPQQTG-GFCCVEGCSA-N -1 3 417.893 3.649 20 0 HHADHM CCc1nc(CC[N-]S(=O)(=O)c2cc(C)c(Br)s2)sc1C ZINC000433835658 979614577 /nfs/dbraw/zinc/61/45/77/979614577.db2.gz IEKKYAOEVJREEF-UHFFFAOYSA-N -1 3 409.396 3.667 20 0 HHADHM C[C@@H](CC(=O)Nc1ccc(Cc2nnn[n-]2)cc1)c1ccc(Br)cc1 ZINC000433938015 979697532 /nfs/dbraw/zinc/69/75/32/979697532.db2.gz BEEHQFSHKMFDQM-LBPRGKRZSA-N -1 3 400.280 3.685 20 0 HHADHM C[C@@H](CC(=O)Nc1ccc(Cc2nn[n-]n2)cc1)c1ccc(Br)cc1 ZINC000433938015 979697535 /nfs/dbraw/zinc/69/75/35/979697535.db2.gz BEEHQFSHKMFDQM-LBPRGKRZSA-N -1 3 400.280 3.685 20 0 HHADHM CCC(CC)(CNC(=O)c1cc(S(=O)(=O)[N-]C)oc1C)c1ccc(Cl)cc1 ZINC000433941672 979700887 /nfs/dbraw/zinc/70/08/87/979700887.db2.gz QVIIVQQXNPVUFS-UHFFFAOYSA-N -1 3 412.939 3.637 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(N[C@@H](C)c3ccccc3)cc2)c(C)o1 ZINC000433958866 979716165 /nfs/dbraw/zinc/71/61/65/979716165.db2.gz QSXGMWQQKLJRPS-AWEZNQCLSA-N -1 3 413.499 3.922 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)N[C@H](CC)c3ccc(C)cc3)c2)[n-]1 ZINC000433989579 979738894 /nfs/dbraw/zinc/73/88/94/979738894.db2.gz GKICGVXKMZRIBE-LJQANCHMSA-N -1 3 421.501 3.907 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)N[C@H](CC)c3ccc(C)cc3)c2)n[n-]1 ZINC000433989579 979738899 /nfs/dbraw/zinc/73/88/99/979738899.db2.gz GKICGVXKMZRIBE-LJQANCHMSA-N -1 3 421.501 3.907 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2nc(-c3cc4ccccc4o3)cs2)c(C)o1 ZINC000434001662 979748953 /nfs/dbraw/zinc/74/89/53/979748953.db2.gz JTINJMKQBVLSDJ-UHFFFAOYSA-N -1 3 417.468 3.618 20 0 HHADHM CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1cc(S(=O)(=O)[N-]C)oc1C ZINC000434014316 979759136 /nfs/dbraw/zinc/75/91/36/979759136.db2.gz WQMWPOKPLZAWJL-ZDUSSCGKSA-N -1 3 419.330 3.554 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(COC3CCCCC3)c2)c(C)o1 ZINC000434088014 979835646 /nfs/dbraw/zinc/83/56/46/979835646.db2.gz CTOYOCFZWSMNHA-UHFFFAOYSA-N -1 3 406.504 3.598 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](c2cccs2)c2ccc(Cl)cc2)c(C)o1 ZINC000434092173 979841083 /nfs/dbraw/zinc/84/10/83/979841083.db2.gz HFQVHNFHWSGSRA-QGZVFWFLSA-N -1 3 424.931 3.730 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(Sc3nc(C)cs3)cc2)c(C)o1 ZINC000434198580 979965350 /nfs/dbraw/zinc/96/53/50/979965350.db2.gz WSHKSIWZVCTXSG-UHFFFAOYSA-N -1 3 423.541 3.665 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CC[C@@H]3CCOC3)ccc2C)cc1 ZINC000434230603 980001286 /nfs/dbraw/zinc/00/12/86/980001286.db2.gz XCRRGFQFJSFGPL-MRXNPFEDSA-N -1 3 418.515 3.560 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)NC[C@@H]1CCCN(c2ccccc2)C1 ZINC000434291210 980051909 /nfs/dbraw/zinc/05/19/09/980051909.db2.gz AZSLIOHRJKPGLP-INIZCTEOSA-N -1 3 418.335 3.871 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)NC[C@H](C)c3cccc(C)c3)c2)[n-]1 ZINC000434411799 980153913 /nfs/dbraw/zinc/15/39/13/980153913.db2.gz LPWHUSRXYZLIPL-INIZCTEOSA-N -1 3 421.501 3.560 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)NC[C@H](C)c3cccc(C)c3)c2)n[n-]1 ZINC000434411799 980153917 /nfs/dbraw/zinc/15/39/17/980153917.db2.gz LPWHUSRXYZLIPL-INIZCTEOSA-N -1 3 421.501 3.560 20 0 HHADHM CSC1(CNC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)CCC1 ZINC000434548118 980245582 /nfs/dbraw/zinc/24/55/82/980245582.db2.gz CZSSCBMPFXWCRQ-UHFFFAOYSA-N -1 3 411.955 3.691 20 0 HHADHM O=S(=O)([N-]Cc1ccc(OC(F)F)cc1)c1cc(F)ccc1Br ZINC000434953488 980528017 /nfs/dbraw/zinc/52/80/17/980528017.db2.gz BMJBBIQWFUIEHQ-UHFFFAOYSA-N -1 3 410.211 3.668 20 0 HHADHM O=C1C[C@H](c2cccc([N-]S(=O)(=O)c3ccc(OCc4ccccc4)cc3)c2)CN1 ZINC000435133995 980665472 /nfs/dbraw/zinc/66/54/72/980665472.db2.gz UZWSBJQAXICJSO-IBGZPJMESA-N -1 3 422.506 3.670 20 0 HHADHM Cc1csc(C2([N-]S(=O)(=O)c3cc(F)ccc3Br)CCC2)n1 ZINC000435213702 980726224 /nfs/dbraw/zinc/72/62/24/980726224.db2.gz PGWQGNZADXQXAK-UHFFFAOYSA-N -1 3 405.314 3.711 20 0 HHADHM Cc1cnc([C@H]([N-]S(=O)(=O)c2cccc(C)c2Br)C2CC2)s1 ZINC000435225772 980733538 /nfs/dbraw/zinc/73/35/38/980733538.db2.gz LEJZVFOFLTZNOZ-CQSZACIVSA-N -1 3 401.351 3.952 20 0 HHADHM Cc1nc(C)c(CCC(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)c(=O)[n-]1 ZINC000435388816 980833157 /nfs/dbraw/zinc/83/31/57/980833157.db2.gz IXEQZUMIZFLKAJ-LBPRGKRZSA-N -1 3 414.453 3.613 20 0 HHADHM CC[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)c1nnc2n1CCCCC2 ZINC000435420882 980854302 /nfs/dbraw/zinc/85/43/02/980854302.db2.gz GHGYFSXYDYDAJG-CYBMUJFWSA-N -1 3 421.325 3.880 20 0 HHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000435432873 980859918 /nfs/dbraw/zinc/85/99/18/980859918.db2.gz PAAHLNKIUNLZJW-SWLSCSKDSA-N -1 3 418.273 3.754 20 0 HHADHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)c1ccc(F)cc1 ZINC000435437521 980862742 /nfs/dbraw/zinc/86/27/42/980862742.db2.gz LCVFPTZCONGPPA-CQSZACIVSA-N -1 3 424.252 3.854 20 0 HHADHM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)oc1C ZINC000435597463 980955010 /nfs/dbraw/zinc/95/50/10/980955010.db2.gz LSIIHXBIWCCJIH-MQMHXKEQSA-N -1 3 417.405 3.618 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H]1C[C@H](c2ccccc2)C1 ZINC000435599115 980956449 /nfs/dbraw/zinc/95/64/49/980956449.db2.gz RRYPDEUBIJWQGA-SHTZXODSSA-N -1 3 401.509 3.912 20 0 HHADHM COc1cc(C(=O)N(Cc2cnn(C)c2)Cc2ccc(Cl)cc2)cc(OC)c1[O-] ZINC000435991862 981137826 /nfs/dbraw/zinc/13/78/26/981137826.db2.gz GNGZZQOLARAXRT-UHFFFAOYSA-N -1 3 415.877 3.639 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(C)=O)c(Br)c2)c(C)c1 ZINC000436017103 981157498 /nfs/dbraw/zinc/15/74/98/981157498.db2.gz ACZFCGMPQQMNEG-UHFFFAOYSA-N -1 3 413.293 3.525 20 0 HHADHM O=S(=O)([N-]c1ccc(F)cc1Br)c1cnc(-c2ccccc2)nc1 ZINC000436019544 981160101 /nfs/dbraw/zinc/16/01/01/981160101.db2.gz XFBYSSQMQFDCAD-UHFFFAOYSA-N -1 3 408.252 3.846 20 0 HHADHM CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3CC(F)(F)F)cc1 ZINC000436183086 981239662 /nfs/dbraw/zinc/23/96/62/981239662.db2.gz RENBNIRGGHYNFX-UHFFFAOYSA-N -1 3 412.433 3.891 20 0 HHADHM COC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl)c1ccc(F)cc1 ZINC000436196404 981244973 /nfs/dbraw/zinc/24/49/73/981244973.db2.gz ICOUUNBGNSRCHC-CQSZACIVSA-N -1 3 408.278 3.807 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cnn(C)c3Cc3ccccc3)c2)n1 ZINC000436268716 981277724 /nfs/dbraw/zinc/27/77/24/981277724.db2.gz UWWHIUHFZHNLDS-UHFFFAOYSA-N -1 3 413.481 3.988 20 0 HHADHM O=C(NC1CCN(Cc2ccccc2)CC1)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000436272020 981279321 /nfs/dbraw/zinc/27/93/21/981279321.db2.gz FRVGSDPKPMHIFH-UHFFFAOYSA-N -1 3 410.905 3.626 20 0 HHADHM O=C(N[C@@H](CC(=O)N1CCCC[C@@H]1C(F)F)c1ccccc1)c1ccc([O-])cc1 ZINC000436492991 981399369 /nfs/dbraw/zinc/39/93/69/981399369.db2.gz KMYOGRZUKRLBLN-RBUKOAKNSA-N -1 3 402.441 3.900 20 0 HHADHM O=C(NC1CCC(c2ccccc2)CC1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436512876 981410342 /nfs/dbraw/zinc/41/03/42/981410342.db2.gz NTQAHAQEMJWLFN-UHFFFAOYSA-N -1 3 407.514 3.586 20 0 HHADHM Cc1cc(F)cc([C@]2(F)CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])C2)c1 ZINC000436515406 981411775 /nfs/dbraw/zinc/41/17/75/981411775.db2.gz QWUSMNPWULUILH-CVDCTZTESA-N -1 3 414.452 3.542 20 0 HHADHM C[C@@H](CNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Oc1ccccc1 ZINC000436524221 981417412 /nfs/dbraw/zinc/41/74/12/981417412.db2.gz ZNIVOJFMQDMESP-MBSDFSHPSA-N -1 3 418.493 3.837 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCCC2(CCOCC2)C1 ZINC000436525904 981418270 /nfs/dbraw/zinc/41/82/70/981418270.db2.gz HJWGONSIWRTJAA-JOCHJYFZSA-N -1 3 422.525 3.673 20 0 HHADHM CC(C)n1ncc2ccc(NC(=O)NC3CCN(C(=O)c4ccccc4[O-])CC3)cc21 ZINC000436525386 981418458 /nfs/dbraw/zinc/41/84/58/981418458.db2.gz NHMKFHGMIUDXTR-UHFFFAOYSA-N -1 3 421.501 3.749 20 0 HHADHM CCCOc1ccc(CN(CCC)C(=O)c2cc3c(cc2[O-])OCO3)cc1OC ZINC000436527053 981420154 /nfs/dbraw/zinc/42/01/54/981420154.db2.gz KVTNTZIUHSGLAJ-UHFFFAOYSA-N -1 3 401.459 3.971 20 0 HHADHM O=C(Cc1ccccc1)N1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000436527585 981420283 /nfs/dbraw/zinc/42/02/83/981420283.db2.gz INESEEFZNXOVOO-UHFFFAOYSA-N -1 3 416.477 3.712 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCC(OCC2CC2)CC1 ZINC000436527830 981420836 /nfs/dbraw/zinc/42/08/36/981420836.db2.gz MFWCNTJNGVZBSI-QHCPKHFHSA-N -1 3 422.525 3.671 20 0 HHADHM C[S@](=O)c1cccc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC000436529566 981421906 /nfs/dbraw/zinc/42/19/06/981421906.db2.gz SCNZRLJXHKEBPU-JRPXNJEYSA-N -1 3 422.506 3.630 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CC=C(C(F)(F)F)CC1 ZINC000436530119 981422609 /nfs/dbraw/zinc/42/26/09/981422609.db2.gz BEDRFNAHKNWQCP-IBGZPJMESA-N -1 3 418.415 3.974 20 0 HHADHM Cc1ccc(C(C)C)c(OCC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000436532947 981424128 /nfs/dbraw/zinc/42/41/28/981424128.db2.gz YQMPPPLLJYVEFF-UHFFFAOYSA-N -1 3 410.514 3.624 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCc2cccc(F)c2C1 ZINC000436532876 981424145 /nfs/dbraw/zinc/42/41/45/981424145.db2.gz IGPZKVHHIBSLBO-QHCPKHFHSA-N -1 3 418.468 3.977 20 0 HHADHM CCCC(=O)Nc1cccc(NC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000436533385 981425071 /nfs/dbraw/zinc/42/50/71/981425071.db2.gz YPQGZVXZKUPFRQ-UHFFFAOYSA-N -1 3 424.501 3.557 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCc2ccsc2C1 ZINC000436533299 981425294 /nfs/dbraw/zinc/42/52/94/981425294.db2.gz INHNRHQZSBGGDS-HXUWFJFHSA-N -1 3 406.507 3.900 20 0 HHADHM CC(C)(C)[C@@H]1C[C@H](NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCO1 ZINC000436536743 981427449 /nfs/dbraw/zinc/42/74/49/981427449.db2.gz QAYWZZAQEHVDSD-HJNYFJLDSA-N -1 3 424.541 3.963 20 0 HHADHM CCc1ccc(C(=O)N2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)c([O-])c1 ZINC000436537968 981428193 /nfs/dbraw/zinc/42/81/93/981428193.db2.gz QCHVGDUXQAFJSX-UZUQRXQVSA-N -1 3 404.470 3.594 20 0 HHADHM CS(=O)(=O)Cc1cccc(CNC(=O)c2cc(Oc3ccccc3)ccc2[O-])c1 ZINC000436539126 981428775 /nfs/dbraw/zinc/42/87/75/981428775.db2.gz XYPWJMLUQIADIB-UHFFFAOYSA-N -1 3 411.479 3.659 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCc1cc(Cl)ccn1 ZINC000436539010 981428879 /nfs/dbraw/zinc/42/88/79/981428879.db2.gz UVIKIWYWLUIPGR-HXUWFJFHSA-N -1 3 409.873 3.618 20 0 HHADHM CC(C)N(C)C(=O)[C@H]1CSCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436541741 981431081 /nfs/dbraw/zinc/43/10/81/981431081.db2.gz ZPAOWVDIRZUXHQ-GOSISDBHSA-N -1 3 400.500 3.566 20 0 HHADHM COC(=O)[C@H]1CN(C(=O)c2cc(OCc3ccccc3)ccc2[O-])c2ccccc21 ZINC000436546292 981433404 /nfs/dbraw/zinc/43/34/04/981433404.db2.gz OBCLHUGMPLWAMQ-FQEVSTJZSA-N -1 3 403.434 3.888 20 0 HHADHM CCCS(=O)(=O)Nc1cccc(NC(=O)c2cc3c(cc2[O-])CCCC3)c1C ZINC000436546321 981434341 /nfs/dbraw/zinc/43/43/41/981434341.db2.gz OCCLVYOSGJNNPA-UHFFFAOYSA-N -1 3 402.516 3.983 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@H]1CCCC(F)(F)C1 ZINC000436555084 981440106 /nfs/dbraw/zinc/44/01/06/981440106.db2.gz IHBWUCUXZIMFKI-HKUYNNGSSA-N -1 3 402.441 3.948 20 0 HHADHM COCCC1(CNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCCC1 ZINC000436556487 981441810 /nfs/dbraw/zinc/44/18/10/981441810.db2.gz LMMDGKSKMDDCAM-JOCHJYFZSA-N -1 3 424.541 3.967 20 0 HHADHM COc1ccc(CNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c(F)c1 ZINC000436557676 981442426 /nfs/dbraw/zinc/44/24/26/981442426.db2.gz OELPGPVTBPOYDR-JOCHJYFZSA-N -1 3 422.456 3.718 20 0 HHADHM COc1ccc(CNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c(F)c1 ZINC000436557680 981442585 /nfs/dbraw/zinc/44/25/85/981442585.db2.gz OELPGPVTBPOYDR-QFIPXVFZSA-N -1 3 422.456 3.718 20 0 HHADHM CCN(CC)C(=O)COc1ccc(NC(=O)c2ccc(C(C)=O)c([O-])c2)cc1Cl ZINC000436561541 981445415 /nfs/dbraw/zinc/44/54/15/981445415.db2.gz GHYDMACNIJLLTM-UHFFFAOYSA-N -1 3 418.877 3.748 20 0 HHADHM CCCc1cc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)n(C)n1 ZINC000436562979 981446318 /nfs/dbraw/zinc/44/63/18/981446318.db2.gz LEKWKYRKMAMPAK-FQEVSTJZSA-N -1 3 406.486 3.578 20 0 HHADHM CN(C(=O)Cc1ccc(NC(=O)c2cc3c(cc2[O-])OCO3)cc1)c1ccccc1 ZINC000436565869 981448755 /nfs/dbraw/zinc/44/87/55/981448755.db2.gz SCMPMERQNSFIAU-UHFFFAOYSA-N -1 3 404.422 3.579 20 0 HHADHM CCc1ccc([C@H](NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)C(C)C)cc1 ZINC000436575641 981454233 /nfs/dbraw/zinc/45/42/33/981454233.db2.gz JFJWUQIMTJIQQI-JOCHJYFZSA-N -1 3 409.530 3.819 20 0 HHADHM CC(C)N(C)C(=O)C1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000436576482 981455221 /nfs/dbraw/zinc/45/52/21/981455221.db2.gz LNFPPXIVWXVILF-UHFFFAOYSA-N -1 3 408.542 3.896 20 0 HHADHM Cc1nsc(N2CCCN(C(=O)c3cc(Oc4ccccc4)ccc3[O-])CC2)n1 ZINC000436577176 981455676 /nfs/dbraw/zinc/45/56/76/981455676.db2.gz UBOSNXINCDGGKK-UHFFFAOYSA-N -1 3 410.499 3.697 20 0 HHADHM COc1ccc(CNC(=O)c2cc(Cc3ccccc3)ccc2[O-])c(OC)c1OC ZINC000436585518 981460783 /nfs/dbraw/zinc/46/07/83/981460783.db2.gz SHLJTDNWXNFQMS-UHFFFAOYSA-N -1 3 407.466 3.939 20 0 HHADHM O=C(CCc1ccc(Cl)c(Cl)c1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436593934 981465116 /nfs/dbraw/zinc/46/51/16/981465116.db2.gz GOFJCDWBZWFYEG-UHFFFAOYSA-N -1 3 407.297 3.616 20 0 HHADHM Cc1nc(CN2CCN(C(=O)c3cc(Cc4ccccc4)ccc3[O-])CC2)cs1 ZINC000436595803 981465587 /nfs/dbraw/zinc/46/55/87/981465587.db2.gz JVCXAEOEUHZCJJ-UHFFFAOYSA-N -1 3 407.539 3.706 20 0 HHADHM O=C(Nc1cccc([C@H]2CNC(=O)C2)c1)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436603435 981469237 /nfs/dbraw/zinc/46/92/37/981469237.db2.gz MXNMNUIBNVISFB-GOSISDBHSA-N -1 3 402.450 3.827 20 0 HHADHM Cn1cc(C(=O)C[C@H]2CCCN2C(=O)c2cc(CCc3ccccc3)ccc2[O-])cn1 ZINC000436607066 981471707 /nfs/dbraw/zinc/47/17/07/981471707.db2.gz RRKAGRPPALPEAK-OAQYLSRUSA-N -1 3 417.509 3.789 20 0 HHADHM CC1(C)CN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C[C@@]2(CCCOC2)O1 ZINC000436607990 981471717 /nfs/dbraw/zinc/47/17/17/981471717.db2.gz TTZSSCQRTZPMDX-RUZDIDTESA-N -1 3 409.526 3.978 20 0 HHADHM CCC(CC)(CNC(=O)c1cc(NC(C)=O)ccc1[O-])c1ccc(OC)c(OC)c1 ZINC000436608237 981471723 /nfs/dbraw/zinc/47/17/23/981471723.db2.gz GYFRTVIXKSDSAY-UHFFFAOYSA-N -1 3 414.502 3.856 20 0 HHADHM CC(=O)c1ccc(C(=O)NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc1[O-] ZINC000436614840 981475318 /nfs/dbraw/zinc/47/53/18/981475318.db2.gz BJKXUGHFARTAOI-UHFFFAOYSA-N -1 3 403.360 3.729 20 0 HHADHM CC1CCN(c2cccc(NC(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])c2)CC1 ZINC000436616267 981476060 /nfs/dbraw/zinc/47/60/60/981476060.db2.gz DHMUPMFJCPZULX-OAQYLSRUSA-N -1 3 407.514 3.872 20 0 HHADHM CC(C)[C@H](C)NC(=O)C1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000436617764 981477338 /nfs/dbraw/zinc/47/73/38/981477338.db2.gz ORXGXPLDZOBRMZ-SFHVURJKSA-N -1 3 408.542 3.996 20 0 HHADHM Cc1cc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])ccc1OC1CCOCC1 ZINC000436618649 981477827 /nfs/dbraw/zinc/47/78/27/981477827.db2.gz MDTQPOYVUQHAKI-HXUWFJFHSA-N -1 3 424.497 3.502 20 0 HHADHM O=C(c1ccc(O)cc1[O-])N1CCC[C@H]1c1ccccc1I ZINC000436624589 981480866 /nfs/dbraw/zinc/48/08/66/981480866.db2.gz KCFILDMOSREYIA-HNNXBMFYSA-N -1 3 409.223 3.680 20 0 HHADHM C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])c1cccc(OC(F)(F)F)c1 ZINC000436628189 981482584 /nfs/dbraw/zinc/48/25/84/981482584.db2.gz XJYGTKXQKKZUDC-CXAGYDPISA-N -1 3 422.403 3.773 20 0 HHADHM Cc1c(Br)cccc1NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436630810 981483852 /nfs/dbraw/zinc/48/38/52/981483852.db2.gz QHABTABPPDJKKP-MRXNPFEDSA-N -1 3 403.276 3.706 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc(C)cc2OCC(F)(F)F)c([O-])c1 ZINC000436633368 981484323 /nfs/dbraw/zinc/48/43/23/981484323.db2.gz APEGXKRWDLURQE-UHFFFAOYSA-N -1 3 410.392 3.709 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NC[C@H](CO)C1CCCCC1 ZINC000436633792 981484363 /nfs/dbraw/zinc/48/43/63/981484363.db2.gz MGTXJQJHHVOTOV-GGAORHGYSA-N -1 3 424.541 3.558 20 0 HHADHM CCSCC[C@@H](C)NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000436637925 981487757 /nfs/dbraw/zinc/48/77/57/981487757.db2.gz BFRFFOAUBQVOJW-CYBMUJFWSA-N -1 3 407.561 3.600 20 0 HHADHM Cc1cc(C)cc(C2=CCN(C(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])CC2)c1 ZINC000436656469 981495477 /nfs/dbraw/zinc/49/54/77/981495477.db2.gz GJMVJGUXERZBOE-JOCHJYFZSA-N -1 3 404.510 3.930 20 0 HHADHM CC[C@H](NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-])c1nc(C)cs1 ZINC000436663190 981499271 /nfs/dbraw/zinc/49/92/71/981499271.db2.gz FUNLRHSYOJPPHG-HNNXBMFYSA-N -1 3 400.460 3.587 20 0 HHADHM COc1ccccc1-c1csc(NC(=O)CCNC(=O)c2ccc(C)cc2[O-])n1 ZINC000436664204 981499288 /nfs/dbraw/zinc/49/92/88/981499288.db2.gz ILWAHNKKOKBTQV-UHFFFAOYSA-N -1 3 411.483 3.591 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C)Cc2cc3ccccc3o2)c1 ZINC000436668225 981501286 /nfs/dbraw/zinc/50/12/86/981501286.db2.gz AWIKCDPLUGKYMP-UHFFFAOYSA-N -1 3 405.410 3.959 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc(NC(=O)c3ccco3)c(C)c2)c([O-])c1 ZINC000436668598 981501297 /nfs/dbraw/zinc/50/12/97/981501297.db2.gz YKMYXFGNBBLCIM-UHFFFAOYSA-N -1 3 421.453 3.613 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCC(C)(C)c2ccccc2C)c1 ZINC000436670107 981502559 /nfs/dbraw/zinc/50/25/59/981502559.db2.gz PQPOGRSFXOFAIE-UHFFFAOYSA-N -1 3 407.470 3.957 20 0 HHADHM COCC[C@H](NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1)C(C)(C)C ZINC000436671855 981503916 /nfs/dbraw/zinc/50/39/16/981503916.db2.gz BAVBEZRVYJRMBE-KRWDZBQOSA-N -1 3 419.547 3.519 20 0 HHADHM Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000436676332 981506610 /nfs/dbraw/zinc/50/66/10/981506610.db2.gz OKBBKYZRYFSIIL-HNNXBMFYSA-N -1 3 403.548 3.928 20 0 HHADHM CCc1ccccc1O[C@H](C(=O)NCCNC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436679652 981508196 /nfs/dbraw/zinc/50/81/96/981508196.db2.gz GWGACBBKJYRIGV-QHCPKHFHSA-N -1 3 418.493 3.621 20 0 HHADHM COC(=O)c1cc(-c2csc(NC(=O)c3ccc4c(c3[O-])OC(C)(C)C4)n2)c[nH]1 ZINC000436680485 981508752 /nfs/dbraw/zinc/50/87/52/981508752.db2.gz JXLKOGAFBKPZFQ-UHFFFAOYSA-N -1 3 413.455 3.596 20 0 HHADHM Cc1ccc(C(=O)NCCc2nc(-c3ccccc3OC(F)(F)F)no2)c([O-])c1 ZINC000436688249 981513111 /nfs/dbraw/zinc/51/31/11/981513111.db2.gz KIDCQDDCESLWMF-UHFFFAOYSA-N -1 3 407.348 3.622 20 0 HHADHM COc1cc(-c2nc(-c3cccc(NC(=O)c4ccco4)c3)no2)cc(OC)c1[O-] ZINC000436692215 981516062 /nfs/dbraw/zinc/51/60/62/981516062.db2.gz VZGKSMQJWIDMAO-UHFFFAOYSA-N -1 3 407.382 3.972 20 0 HHADHM CC(C)(C)[C@@H](NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccc(F)cc1 ZINC000436696823 981518765 /nfs/dbraw/zinc/51/87/65/981518765.db2.gz IBIYNGNNSORSFG-FQEVSTJZSA-N -1 3 413.493 3.786 20 0 HHADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)c2cccc(-c3c(F)cccc3F)c2)CC1 ZINC000436699690 981520141 /nfs/dbraw/zinc/52/01/41/981520141.db2.gz RLXIGAINEIKICL-UHFFFAOYSA-N -1 3 422.431 3.936 20 0 HHADHM Cc1cc2cccnc2c(NC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000436706108 981522109 /nfs/dbraw/zinc/52/21/09/981522109.db2.gz UAEHUHPHBCJNHY-UHFFFAOYSA-N -1 3 404.470 3.675 20 0 HHADHM CCSc1cccc(CNC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])c1 ZINC000436708848 981523653 /nfs/dbraw/zinc/52/36/53/981523653.db2.gz YRWJMIVRBBHNAL-UHFFFAOYSA-N -1 3 411.483 3.983 20 0 HHADHM O=C(N[C@@H](CC(F)(F)F)c1ccccc1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436711268 981524876 /nfs/dbraw/zinc/52/48/76/981524876.db2.gz GDFHDVCNAPZMPJ-KRWDZBQOSA-N -1 3 421.419 3.553 20 0 HHADHM C[S@](=O)Cc1ccc(CNC(=O)c2cc(CCc3ccccc3)ccc2[O-])cc1 ZINC000436715514 981527354 /nfs/dbraw/zinc/52/73/54/981527354.db2.gz XCMCUMBPXTXTJI-LJAQVGFWSA-N -1 3 407.535 3.986 20 0 HHADHM CCCCOc1ccc(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c(C)c1 ZINC000436715063 981527626 /nfs/dbraw/zinc/52/76/26/981527626.db2.gz HPXFRHYUGJCVPA-UHFFFAOYSA-N -1 3 411.502 3.869 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCC2(CCOCC2)CC1 ZINC000436722249 981531190 /nfs/dbraw/zinc/53/11/90/981531190.db2.gz LTGMAIFYDXOZTH-QFIPXVFZSA-N -1 3 422.525 3.673 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1cc2c(cn1)CCC2 ZINC000436725720 981533296 /nfs/dbraw/zinc/53/32/96/981533296.db2.gz RANXVFGJCHQSPH-NRFANRHFSA-N -1 3 401.466 3.776 20 0 HHADHM O=C(NC1CCC(c2ccc(F)cc2)CC1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436726767 981533825 /nfs/dbraw/zinc/53/38/25/981533825.db2.gz ZDLYDMYFTHJTBQ-CNBHCMJISA-N -1 3 410.489 3.979 20 0 HHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000436731684 981536074 /nfs/dbraw/zinc/53/60/74/981536074.db2.gz QPAQFKAMNXTLMX-KNQAVFIVSA-N -1 3 404.510 3.599 20 0 HHADHM O=C(N[C@H]1CCCC[C@@H]1Cc1ccccc1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436730688 981536265 /nfs/dbraw/zinc/53/62/65/981536265.db2.gz MGRSJVRLWMJOKL-IRLDBZIGSA-N -1 3 421.541 3.661 20 0 HHADHM O=C(NCc1ccncc1OC[C@H]1CCOC1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436741743 981540981 /nfs/dbraw/zinc/54/09/81/981540981.db2.gz UZTQUORTTGMGLI-KRWDZBQOSA-N -1 3 420.465 3.925 20 0 HHADHM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436751381 981545159 /nfs/dbraw/zinc/54/51/59/981545159.db2.gz LIFYCPSFBNZBEW-UHFFFAOYSA-N -1 3 423.435 3.814 20 0 HHADHM Cc1nc(CN2CCN(C(=O)c3cc(Oc4ccccc4)ccc3[O-])CC2)cs1 ZINC000436755750 981547124 /nfs/dbraw/zinc/54/71/24/981547124.db2.gz NCHDNBBURKIZQK-UHFFFAOYSA-N -1 3 409.511 3.907 20 0 HHADHM O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCN1C(=O)c1cc2c(cc1[O-])OCO2 ZINC000436756520 981547518 /nfs/dbraw/zinc/54/75/18/981547518.db2.gz RUPJCVAAGSWRFV-CQSZACIVSA-N -1 3 423.252 3.671 20 0 HHADHM O=C(Cc1ccc(-c2ccccc2)cc1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436764283 981551910 /nfs/dbraw/zinc/55/19/10/981551910.db2.gz PSVXJRNKKYMPBQ-UHFFFAOYSA-N -1 3 400.478 3.586 20 0 HHADHM O=C(Nc1ccc(CCC(F)(F)F)cc1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436765007 981552495 /nfs/dbraw/zinc/55/24/95/981552495.db2.gz AGOANSDWVLEAIT-UHFFFAOYSA-N -1 3 421.419 3.877 20 0 HHADHM Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436768092 981553536 /nfs/dbraw/zinc/55/35/36/981553536.db2.gz WCSMXYKECNRBBR-OAQYLSRUSA-N -1 3 405.498 3.547 20 0 HHADHM O=C(c1cncc(-c2ccc(Cl)cc2)c1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436773477 981555471 /nfs/dbraw/zinc/55/54/71/981555471.db2.gz RPBZIYPWAKAHNQ-UHFFFAOYSA-N -1 3 421.884 3.706 20 0 HHADHM O=C(c1cccc(OCc2cccs2)c1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436782347 981559377 /nfs/dbraw/zinc/55/93/77/981559377.db2.gz XMQJKGGLQFQADB-UHFFFAOYSA-N -1 3 422.506 3.631 20 0 HHADHM CCCN(C(=O)c1cc(NC(C)=O)ccc1[O-])C1CCN(C(=O)c2ccccc2)CC1 ZINC000436787465 981561384 /nfs/dbraw/zinc/56/13/84/981561384.db2.gz OWKXDNPAAPAMJH-UHFFFAOYSA-N -1 3 423.513 3.508 20 0 HHADHM Cc1ccc(-c2nnc([C@@H](C)N3CCN(C(=O)c4ccccc4[O-])CC3)o2)cc1C ZINC000436792317 981564091 /nfs/dbraw/zinc/56/40/91/981564091.db2.gz NINQIONMPXIBIR-QGZVFWFLSA-N -1 3 406.486 3.578 20 0 HHADHM COc1ccc(CCN(CC(C)C)C(=O)c2cc(NC(C)=O)ccc2[O-])cc1OC ZINC000436793020 981564314 /nfs/dbraw/zinc/56/43/14/981564314.db2.gz YLJSITRZGIKULY-UHFFFAOYSA-N -1 3 414.502 3.709 20 0 HHADHM CC(C)[C@H](SCc1ccccc1)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436793071 981564360 /nfs/dbraw/zinc/56/43/60/981564360.db2.gz QLUBOJLUIBYWQT-NRFANRHFSA-N -1 3 412.555 3.635 20 0 HHADHM CCOC1(C)CCN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC1 ZINC000436795280 981565713 /nfs/dbraw/zinc/56/57/13/981565713.db2.gz YDCJKONZVRZJPE-NRFANRHFSA-N -1 3 410.514 3.671 20 0 HHADHM O=C(NCC1(c2ccc(F)cc2)CCCC1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436798760 981567696 /nfs/dbraw/zinc/56/76/96/981567696.db2.gz MVPNLQWDHGZCDE-FQEVSTJZSA-N -1 3 410.489 3.764 20 0 HHADHM CCc1ccc(C(=O)N(CC(N)=O)Cc2ccc(OCc3ccccc3)cc2)c([O-])c1 ZINC000436804314 981569371 /nfs/dbraw/zinc/56/93/71/981569371.db2.gz ACUAYSOGFVVUKE-UHFFFAOYSA-N -1 3 418.493 3.661 20 0 HHADHM COc1cccc(C(=O)Nc2cc(Br)cc(C(=O)N3CCCC3)c2)c1[O-] ZINC000436814516 981573330 /nfs/dbraw/zinc/57/33/30/981573330.db2.gz RTNJCTJSXWGGQM-UHFFFAOYSA-N -1 3 419.275 3.652 20 0 HHADHM CC(C)[C@H]1CN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCCO1 ZINC000436822903 981576435 /nfs/dbraw/zinc/57/64/35/981576435.db2.gz XUMXJVNSJVYKID-FCHUYYIVSA-N -1 3 410.514 3.527 20 0 HHADHM CCc1ccc(C(=O)N2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)c([O-])c1 ZINC000436836584 981583104 /nfs/dbraw/zinc/58/31/04/981583104.db2.gz ZVGJWQOOVWPGNM-UHFFFAOYSA-N -1 3 406.526 3.998 20 0 HHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H](C)Oc3cnc4ccccc4c3)cc2)n1 ZINC000436841693 981585664 /nfs/dbraw/zinc/58/56/64/981585664.db2.gz UNJNRCYBSKXYKC-HNNXBMFYSA-N -1 3 400.438 3.700 20 0 HHADHM CS(=O)(=O)CC[C@H]1CCCCN1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436843906 981586255 /nfs/dbraw/zinc/58/62/55/981586255.db2.gz KWMGUQINBJVQSQ-HXUWFJFHSA-N -1 3 415.555 3.607 20 0 HHADHM C[C@H](CN(C)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1nccs1 ZINC000436846898 981587947 /nfs/dbraw/zinc/58/79/47/981587947.db2.gz ZASQWOBKBQXSII-UZLBHIALSA-N -1 3 423.538 3.972 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cc(C(C)C)c(O)cc2C)cc1OC ZINC000436856521 981594173 /nfs/dbraw/zinc/59/41/73/981594173.db2.gz TUDNEGBQZSLTED-UHFFFAOYSA-N -1 3 406.504 3.847 20 0 HHADHM O=C(c1ccccc1[O-])N1CCN(C(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)CC1 ZINC000436860093 981595707 /nfs/dbraw/zinc/59/57/07/981595707.db2.gz DMFMUCBQIXWDDS-FCHUYYIVSA-N -1 3 400.478 3.634 20 0 HHADHM CC[C@H](Cc1ccccc1Br)NC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000436863575 981596476 /nfs/dbraw/zinc/59/64/76/981596476.db2.gz JIRKNXSNLIQIFY-CQSZACIVSA-N 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ZINC000436905824 981611745 /nfs/dbraw/zinc/61/17/45/981611745.db2.gz OWXBWJVIFOBGSE-UHFFFAOYSA-N -1 3 411.502 3.903 20 0 HHADHM Cc1cc([C@H]2CCCN2C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)on1 ZINC000436905877 981611887 /nfs/dbraw/zinc/61/18/87/981611887.db2.gz BMEPKIZYOKIPRT-NHCUHLMSSA-N -1 3 419.481 3.914 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCc2ccc(F)cc21 ZINC000436920025 981624317 /nfs/dbraw/zinc/62/43/17/981624317.db2.gz FNKANRRGMXPTFW-OAQYLSRUSA-N -1 3 404.441 3.982 20 0 HHADHM Cc1ccc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])cc1N1C(=O)CNC1=O ZINC000436921994 981625011 /nfs/dbraw/zinc/62/50/11/981625011.db2.gz LPBYDELIAHORPL-UHFFFAOYSA-N -1 3 415.449 3.600 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000436922192 981625952 /nfs/dbraw/zinc/62/59/52/981625952.db2.gz MAOCPBJVVBHXES-LEWJYISDSA-N -1 3 418.497 3.730 20 0 HHADHM CC(C)(C)CC[C@@H](CO)NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436924193 981627023 /nfs/dbraw/zinc/62/70/23/981627023.db2.gz BNGKHPWIFYVDEO-PZJWPPBQSA-N -1 3 412.530 3.557 20 0 HHADHM COc1cccc(C(=O)Nc2cccc(CS(=O)(=O)Cc3ccccc3)c2)c1[O-] ZINC000436926512 981628649 /nfs/dbraw/zinc/62/86/49/981628649.db2.gz MGMBEBWZPZBOMY-UHFFFAOYSA-N -1 3 411.479 3.768 20 0 HHADHM C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436931335 981631019 /nfs/dbraw/zinc/63/10/19/981631019.db2.gz BCNWZUNFHXFDDH-LYAKXMMSSA-N -1 3 416.477 3.892 20 0 HHADHM C[C@@H]1Oc2ccccc2[C@H]1NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436931336 981631110 /nfs/dbraw/zinc/63/11/10/981631110.db2.gz BCNWZUNFHXFDDH-SWDVRCMSSA-N -1 3 416.477 3.892 20 0 HHADHM CCCCn1nccc1NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436936230 981634130 /nfs/dbraw/zinc/63/41/30/981634130.db2.gz YTGQXYLUXHIASY-FQEVSTJZSA-N -1 3 406.486 3.889 20 0 HHADHM O=C(NCCCCN1CCN(c2ccccc2)CC1)c1cc(F)c([O-])c(Cl)c1 ZINC000436938699 981634694 /nfs/dbraw/zinc/63/46/94/981634694.db2.gz WCEWEAHSWWNXDY-UHFFFAOYSA-N 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981645812 /nfs/dbraw/zinc/64/58/12/981645812.db2.gz MASVHLZJUFLJMA-UHFFFAOYSA-N -1 3 420.893 3.528 20 0 HHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000436957153 981645850 /nfs/dbraw/zinc/64/58/50/981645850.db2.gz WDOPFGWTGDCGPW-HZPDHXFCSA-N -1 3 416.880 3.709 20 0 HHADHM CCCCO[C@@H]1C[C@H](NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])C1(C)C ZINC000436959094 981647911 /nfs/dbraw/zinc/64/79/11/981647911.db2.gz FNHSIAOJXXUOKR-RBUKOAKNSA-N -1 3 415.490 3.655 20 0 HHADHM CCCCO[C@H]1C[C@@H](NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])C1(C)C ZINC000436959092 981648049 /nfs/dbraw/zinc/64/80/49/981648049.db2.gz FNHSIAOJXXUOKR-MOPGFXCFSA-N -1 3 415.490 3.655 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2C[C@H](c3ccccc3)C[C@H]2C)c1 ZINC000436964681 981652000 /nfs/dbraw/zinc/65/20/00/981652000.db2.gz MWFAHIGFMVTZLK-RHSMWYFYSA-N -1 3 405.454 3.959 20 0 HHADHM O=C(c1ccccc1[O-])N1CCN(C(=O)c2ccccc2NC2CCCCC2)CC1 ZINC000436965085 981652026 /nfs/dbraw/zinc/65/20/26/981652026.db2.gz HWOXLTURYQTLHZ-UHFFFAOYSA-N -1 3 407.514 3.735 20 0 HHADHM O=C(c1cc2c(cc1[O-])OCO2)N1CC=C(c2cccc(Br)c2)CC1 ZINC000436972483 981657791 /nfs/dbraw/zinc/65/77/91/981657791.db2.gz SXTMFPFXYFLAFA-UHFFFAOYSA-N -1 3 402.244 3.813 20 0 HHADHM CCCCOc1ccc(C(=O)NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)c([O-])c1 ZINC000436978109 981662923 /nfs/dbraw/zinc/66/29/23/981662923.db2.gz HGTOOXKIZMQPDU-NRFANRHFSA-N -1 3 412.486 3.619 20 0 HHADHM CC[C@H](CC(F)(F)F)NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000436980604 981664469 /nfs/dbraw/zinc/66/44/69/981664469.db2.gz OPJUNQBLGPGLJX-LLVKDONJSA-N -1 3 415.437 3.799 20 0 HHADHM COc1ccc(NC(=O)Cc2csc(NC(=O)c3cc(C)ccc3[O-])n2)c(C)c1 ZINC000436981151 981665146 /nfs/dbraw/zinc/66/51/46/981665146.db2.gz SXPNWPJRUCUSLD-UHFFFAOYSA-N -1 3 411.483 3.908 20 0 HHADHM CCOc1cccc([C@H]2C[C@H]2NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])c1 ZINC000436981811 981665245 /nfs/dbraw/zinc/66/52/45/981665245.db2.gz VGAUINVBSHFLBO-YLJYHZDGSA-N -1 3 421.453 3.626 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2C[C@@H](C)C[C@H]2c2cccnc2)c1 ZINC000436982975 981666051 /nfs/dbraw/zinc/66/60/51/981666051.db2.gz WEVYIEDTSVSOQE-DJJJIMSYSA-N -1 3 406.442 3.559 20 0 HHADHM CSCC[C@H](C)N(C)C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000436983813 981666994 /nfs/dbraw/zinc/66/69/94/981666994.db2.gz XWXRWJWAGKGIAT-ZDUSSCGKSA-N -1 3 407.561 3.552 20 0 HHADHM CCCCOc1ccc(C(=O)N2CCN(c3ncnc4ccsc43)CC2)c([O-])c1 ZINC000436988053 981670168 /nfs/dbraw/zinc/67/01/68/981670168.db2.gz NZQFUDPXJKDRFY-UHFFFAOYSA-N -1 3 412.515 3.538 20 0 HHADHM CCS(=O)(=O)c1ccc(CNC(=O)c2cc(Cc3ccccc3)ccc2[O-])s1 ZINC000436991467 981672460 /nfs/dbraw/zinc/67/24/60/981672460.db2.gz UFTLTTPQIRYQOL-UHFFFAOYSA-N -1 3 415.536 3.768 20 0 HHADHM COC1CCC(C)(CNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC1 ZINC000436991822 981672686 /nfs/dbraw/zinc/67/26/86/981672686.db2.gz UNWKENFDVHGWSE-YGWFNULRSA-N -1 3 424.541 3.965 20 0 HHADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)[C@@H]1CCCCS1(=O)=O ZINC000436995141 981674068 /nfs/dbraw/zinc/67/40/68/981674068.db2.gz HKGLONMIGDDIDI-KRWDZBQOSA-N -1 3 402.497 3.575 20 0 HHADHM Cc1ccc(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1C(F)(F)F ZINC000436998360 981676841 /nfs/dbraw/zinc/67/68/41/981676841.db2.gz BLCYWCGXYVSMJA-UHFFFAOYSA-N -1 3 407.392 3.709 20 0 HHADHM CN(Cc1ccccc1NC(=O)NCCNC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436998852 981676884 /nfs/dbraw/zinc/67/68/84/981676884.db2.gz ZMGMWIXKHHRWDY-UHFFFAOYSA-N -1 3 418.497 3.580 20 0 HHADHM [O-]c1ccc(Cc2ccccc2)cc1-c1nc(-c2ccc(N3CCOCC3)nc2)no1 ZINC000437001166 981678261 /nfs/dbraw/zinc/67/82/61/981678261.db2.gz VRFRXWRDLCJOJQ-UHFFFAOYSA-N -1 3 414.465 3.932 20 0 HHADHM Cc1nc(-c2cccc(NC(=O)N3CCN(C(=O)c4ccc([O-])cc4)CC3)c2)oc1C ZINC000437001712 981678473 /nfs/dbraw/zinc/67/84/73/981678473.db2.gz LDFBRUJBXHILBJ-UHFFFAOYSA-N -1 3 420.469 3.654 20 0 HHADHM Cc1csc(-c2ccc(NC(=O)N3CCN(C(=O)c4ccc([O-])cc4)CC3)cc2)n1 ZINC000437001045 981678517 /nfs/dbraw/zinc/67/85/17/981678517.db2.gz JPZDHVHVGAXHNA-UHFFFAOYSA-N -1 3 422.510 3.814 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)NCCC(F)(F)F ZINC000437068104 981740892 /nfs/dbraw/zinc/74/08/92/981740892.db2.gz GXTXKXIONXJGMI-UHFFFAOYSA-N -1 3 404.385 3.617 20 0 HHADHM CC[C@H]1CN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)CCS1 ZINC000437078185 981748934 /nfs/dbraw/zinc/74/89/34/981748934.db2.gz QFGPTVOFXYITFE-HNNXBMFYSA-N -1 3 408.520 3.594 20 0 HHADHM CN(c1ccccc1)c1ccc(CN2CCN(C(=O)c3ccccc3[O-])CC2)cn1 ZINC000437123900 981776126 /nfs/dbraw/zinc/77/61/26/981776126.db2.gz GNWKDSHOXOCLDJ-UHFFFAOYSA-N -1 3 402.498 3.513 20 0 HHADHM CN(C)[C@H]1CCOc2c(NC(=O)c3cc(F)cc(Br)c3[O-])cccc21 ZINC000448492871 981830477 /nfs/dbraw/zinc/83/04/77/981830477.db2.gz QDAICTOEQGLZHF-HNNXBMFYSA-N -1 3 409.255 3.931 20 0 HHADHM O=C([N-]c1ncn(Cc2ccc(Br)cc2)n1)c1cc(F)c(F)cc1F ZINC000437244438 981902190 /nfs/dbraw/zinc/90/21/90/981902190.db2.gz GLLUXLDZULNRAG-UHFFFAOYSA-N -1 3 411.181 3.759 20 0 HHADHM COc1ccccc1-c1noc([C@H](C)[N-]S(=O)(=O)c2cccc3ccccc32)n1 ZINC000437248829 981907637 /nfs/dbraw/zinc/90/76/37/981907637.db2.gz GVCVEHHTDDSDOW-AWEZNQCLSA-N -1 3 409.467 3.938 20 0 HHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1Cc1nc(-c2ccccc2Br)no1 ZINC000460141418 981914087 /nfs/dbraw/zinc/91/40/87/981914087.db2.gz DYBBWCCISGMQOM-UHFFFAOYSA-N -1 3 424.258 3.956 20 0 HHADHM COc1ccc(OCCS(=O)(=O)[N-]c2cccnc2-c2csc(C)c2)cc1 ZINC000437677473 982291592 /nfs/dbraw/zinc/29/15/92/982291592.db2.gz UUBDHKSYRGEHRE-UHFFFAOYSA-N -1 3 404.513 3.948 20 0 HHADHM Cc1cc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)ccc1NC(=O)CC(C)C ZINC000460686897 982450447 /nfs/dbraw/zinc/45/04/47/982450447.db2.gz GSQLDLGELYQSRH-UHFFFAOYSA-N -1 3 403.504 3.603 20 0 HHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)Cc3ccc(C)c(Br)c3)cc2)n1 ZINC000438049511 982551438 /nfs/dbraw/zinc/55/14/38/982551438.db2.gz QFBFOQNDYVSTSE-UHFFFAOYSA-N -1 3 412.287 3.997 20 0 HHADHM CC(C)(C)n1cc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)c(-c2ccc(F)cc2F)n1 ZINC000460966045 982696167 /nfs/dbraw/zinc/69/61/67/982696167.db2.gz BCCRQVDRQIBUAA-UHFFFAOYSA-N -1 3 414.338 3.973 20 0 HHADHM CC(C)(C)n1cc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)c(-c2ccc(F)cc2F)n1 ZINC000460966045 982696172 /nfs/dbraw/zinc/69/61/72/982696172.db2.gz BCCRQVDRQIBUAA-UHFFFAOYSA-N -1 3 414.338 3.973 20 0 HHADHM Cc1nc(C)c(CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)s1 ZINC000461036610 982737999 /nfs/dbraw/zinc/73/79/99/982737999.db2.gz GWHHLDZNZFGLMB-UHFFFAOYSA-N -1 3 419.503 3.630 20 0 HHADHM CCC(CC)(CNC(=O)CCc1c(C)nc(C)[n-]c1=O)c1ccc(OC)c(OC)c1 ZINC000461092515 982786787 /nfs/dbraw/zinc/78/67/87/982786787.db2.gz WNKARRLDRROOKZ-UHFFFAOYSA-N -1 3 415.534 3.623 20 0 HHADHM COc1cc(OC)cc(OCCCN(C)Cc2nc3c4ccccc4oc3c(=O)[n-]2)c1 ZINC000438556441 982898627 /nfs/dbraw/zinc/89/86/27/982898627.db2.gz YXEUBYHVNJKKCN-UHFFFAOYSA-N -1 3 423.469 4.000 20 0 HHADHM COc1cnccc1[C@@H](C)NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000438616808 982940550 /nfs/dbraw/zinc/94/05/50/982940550.db2.gz FLPQNNOSOVLDPW-IIBYNOLFSA-N -1 3 419.481 3.534 20 0 HHADHM O=C(Nc1ccccc1CC(F)(F)F)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000438626466 982946984 /nfs/dbraw/zinc/94/69/84/982946984.db2.gz KCGYIBYIRBBONX-UHFFFAOYSA-N -1 3 421.419 3.923 20 0 HHADHM COc1cccc(F)c1[C@@H](C)NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000461255518 982961181 /nfs/dbraw/zinc/96/11/81/982961181.db2.gz ZUIKHDPRYXADRP-CQSZACIVSA-N -1 3 410.449 3.510 20 0 HHADHM CC(C)(C)c1nc2ccc(NC(=O)NCCNC(=O)c3ccc([O-])cc3)cc2s1 ZINC000438654518 982972489 /nfs/dbraw/zinc/97/24/89/982972489.db2.gz VCFPAHUVHFOKMH-UHFFFAOYSA-N -1 3 412.515 3.851 20 0 HHADHM O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000461333201 983023783 /nfs/dbraw/zinc/02/37/83/983023783.db2.gz MNUHUGJQNVUHLN-BFHYXJOUSA-N -1 3 419.374 3.747 20 0 HHADHM O=C(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000461344438 983030477 /nfs/dbraw/zinc/03/04/77/983030477.db2.gz WTHDYSFGSJFGCC-SOUVJXGZSA-N -1 3 405.495 3.653 20 0 HHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@@H]1C[C@H]2CCCC[C@@H]2N1c1ncccn1 ZINC000461454812 983121382 /nfs/dbraw/zinc/12/13/82/983121382.db2.gz WFQVEYIHUJBSJK-KCXAZCMYSA-N -1 3 406.408 3.977 20 0 HHADHM O=C(Nc1nccc2sccc21)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000461479986 983137123 /nfs/dbraw/zinc/13/71/23/983137123.db2.gz MPPAIFJJFHNBQP-UHFFFAOYSA-N -1 3 416.459 3.817 20 0 HHADHM Cn1cc(C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)c(C(F)(F)F)n1 ZINC000438946193 983171713 /nfs/dbraw/zinc/17/17/13/983171713.db2.gz IUSOOVLELNVYRW-UHFFFAOYSA-N -1 3 422.643 3.878 20 0 HHADHM O=C(Nc1cc(CCc2ccccc2)ccn1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000439061681 983232910 /nfs/dbraw/zinc/23/29/10/983232910.db2.gz URMRENNADBVGOQ-NRFANRHFSA-N -1 3 415.493 3.816 20 0 HHADHM Cn1c2cc([O-])c(NC(=O)C3(c4c(Cl)cccc4Cl)CC3)cc2n(C)c1=O ZINC000461628259 983249009 /nfs/dbraw/zinc/24/90/09/983249009.db2.gz BSDVNVNVGYMFTE-UHFFFAOYSA-N -1 3 406.269 3.560 20 0 HHADHM Cn1c(=O)n(C)c2cc(NC(=O)c3csc(-c4ccc(Cl)cc4)n3)c([O-])cc21 ZINC000461629800 983250579 /nfs/dbraw/zinc/25/05/79/983250579.db2.gz WHKNJFPZQITUCW-UHFFFAOYSA-N -1 3 414.874 3.612 20 0 HHADHM O=C([N-]c1nnc(SCc2cccs2)s1)c1cn(Cc2cccs2)nn1 ZINC000439120914 983260200 /nfs/dbraw/zinc/26/02/00/983260200.db2.gz UADAGSBPUYGOAV-UHFFFAOYSA-N -1 3 420.570 3.846 20 0 HHADHM CC[C@H]1CN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)CCCO1 ZINC000439554107 983447263 /nfs/dbraw/zinc/44/72/63/983447263.db2.gz XGRNJSJUNVQLSJ-NSHDSACASA-N -1 3 413.699 3.585 20 0 HHADHM Cc1ccn(C)c1C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000439975423 983601622 /nfs/dbraw/zinc/60/16/22/983601622.db2.gz AEPVKZUZWJSWMJ-UHFFFAOYSA-N -1 3 401.463 3.834 20 0 HHADHM C[C@H]([N-]S(=O)(=O)c1ccc2c(c1)CC(C)(C)O2)c1nc(C2CCCCC2)no1 ZINC000440398894 983744402 /nfs/dbraw/zinc/74/44/02/983744402.db2.gz MSMAQOPWSYFLLT-ZDUSSCGKSA-N -1 3 405.520 3.870 20 0 HHADHM CCN(Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1)c1ccc(Cl)c(F)c1 ZINC000440623780 983825662 /nfs/dbraw/zinc/82/56/62/983825662.db2.gz LOZQHKDGBCFQOH-UHFFFAOYSA-N -1 3 409.870 3.899 20 0 HHADHM CCOCC1(C(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)CC1 ZINC000440686651 983852932 /nfs/dbraw/zinc/85/29/32/983852932.db2.gz VIKBEKLWUOUQLA-UHFFFAOYSA-N -1 3 402.516 3.859 20 0 HHADHM CCN(CC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1)C1CC1 ZINC000440930130 983984861 /nfs/dbraw/zinc/98/48/61/983984861.db2.gz AQZQXOSRPOFQNI-UHFFFAOYSA-N -1 3 401.532 3.527 20 0 HHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H](CO)CC(C)(C)C)c2)cc1 ZINC000440941491 983991500 /nfs/dbraw/zinc/99/15/00/983991500.db2.gz CSDYBTFEGQCCQT-GOSISDBHSA-N -1 3 418.559 3.631 20 0 HHADHM COC(=O)CSCCC(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000440942883 983991980 /nfs/dbraw/zinc/99/19/80/983991980.db2.gz PAUHWEMESHABHA-UHFFFAOYSA-N -1 3 402.497 3.904 20 0 HHADHM Cc1c(Cl)cccc1NC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000441231422 984128095 /nfs/dbraw/zinc/12/80/95/984128095.db2.gz KLODAXGXZWQWPJ-UHFFFAOYSA-N -1 3 420.293 3.541 20 0 HHADHM COc1ccc(-c2cc3[n-]c(CN4CC[C@@H]([C@H]5CCOC5)C4)nc(=O)c3s2)cc1 ZINC000441663357 984381891 /nfs/dbraw/zinc/38/18/91/984381891.db2.gz OLNPHOWJYURFML-CVEARBPZSA-N -1 3 411.527 3.519 20 0 HHADHM Cc1ccc([C@@H](Cn2ccnc2)[N-]S(=O)(=O)c2cc(F)c(F)cc2F)c(C)c1 ZINC000441847304 984496727 /nfs/dbraw/zinc/49/67/27/984496727.db2.gz GRGLKPGSTQBQBI-GOSISDBHSA-N -1 3 409.433 3.637 20 0 HHADHM Cc1ccc(Cc2cnc(NC(=O)NCCNC(=O)c3ccc([O-])cc3)s2)cc1C ZINC000441848331 984497297 /nfs/dbraw/zinc/49/72/97/984497297.db2.gz IUDWQBCGINCPCM-UHFFFAOYSA-N -1 3 424.526 3.608 20 0 HHADHM O=C(NCc1ccc([O-])c(F)c1)C(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1 ZINC000442006703 984590607 /nfs/dbraw/zinc/59/06/07/984590607.db2.gz ZAEMSDCGUYRXCW-UHFFFAOYSA-N -1 3 415.808 3.627 20 0 HHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C2CCN(c3nccs3)CC2)c1Cl ZINC000461801023 984788026 /nfs/dbraw/zinc/78/80/26/984788026.db2.gz KNGFXPQJCFSGCC-UHFFFAOYSA-N -1 3 406.360 3.706 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CN3CCOc4ccc(Cl)cc43)c2)n1 ZINC000461882513 984906413 /nfs/dbraw/zinc/90/64/13/984906413.db2.gz MFOROHIWIANTJY-UHFFFAOYSA-N -1 3 424.888 3.903 20 0 HHADHM Cn1ccnc1[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)c1ccccc1F ZINC000462112964 985083548 /nfs/dbraw/zinc/08/35/48/985083548.db2.gz QGSXBXLPUUQMDU-CQSZACIVSA-N -1 3 419.425 3.707 20 0 HHADHM COc1cccc(C[C@@H](C)[N-]S(=O)(=O)c2sc(C)cc2Br)c1 ZINC000462136892 985106796 /nfs/dbraw/zinc/10/67/96/985106796.db2.gz UGWNIJZRBQQCNR-SNVBAGLBSA-N -1 3 404.351 3.737 20 0 HHADHM Cc1ccc(Cl)cc1N1CC[C@@H](C[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)C1 ZINC000462158649 985132479 /nfs/dbraw/zinc/13/24/79/985132479.db2.gz XOFWFONVMJODIT-LBPRGKRZSA-N -1 3 418.868 3.871 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2cc(-c3ccccc3)on2)s1 ZINC000462161378 985136410 /nfs/dbraw/zinc/13/64/10/985136410.db2.gz OYNFBIRGTJAQRX-UHFFFAOYSA-N -1 3 413.318 3.953 20 0 HHADHM O=S(=O)([N-][C@H]1CCC[C@@H]1OCc1ccccc1)c1cnccc1C(F)(F)F ZINC000442737915 985195371 /nfs/dbraw/zinc/19/53/71/985195371.db2.gz BFPPZAGSOHSIFG-HOTGVXAUSA-N -1 3 400.422 3.517 20 0 HHADHM C[C@@H](Cc1nc2ccccc2s1)[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000442748285 985200668 /nfs/dbraw/zinc/20/06/68/985200668.db2.gz KKZNPXZXGWGOPF-JTQLQIEISA-N -1 3 401.435 3.620 20 0 HHADHM O=C1[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CCCN1C1CCCCC1 ZINC000442766431 985209295 /nfs/dbraw/zinc/20/92/95/985209295.db2.gz JXEMNJKFNBEIEW-OAHLLOKOSA-N -1 3 405.347 3.595 20 0 HHADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCOc3c(F)cccc32)sc1Br ZINC000442789033 985216767 /nfs/dbraw/zinc/21/67/67/985216767.db2.gz CYYMJBGTOJEDEX-NSHDSACASA-N -1 3 406.298 3.760 20 0 HHADHM O=S(=O)([N-][C@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1ccc(Br)cn1 ZINC000462257087 985243257 /nfs/dbraw/zinc/24/32/57/985243257.db2.gz IGFGGUJBVUQIKU-YPMHNXCESA-N -1 3 421.238 3.697 20 0 HHADHM CCc1ccc(C(=O)N2CC[C@@](C)(CNC(=O)c3ccc(CC)cc3O)C2)c([O-])c1 ZINC000442856319 985247835 /nfs/dbraw/zinc/24/78/35/985247835.db2.gz YXUWNGLVCQOHKV-DEOSSOPVSA-N -1 3 410.514 3.505 20 0 HHADHM CCc1ccc(C(=O)NC[C@]2(C)CCN(C(=O)c3ccc(CC)cc3O)C2)c([O-])c1 ZINC000442856319 985247847 /nfs/dbraw/zinc/24/78/47/985247847.db2.gz YXUWNGLVCQOHKV-DEOSSOPVSA-N -1 3 410.514 3.505 20 0 HHADHM COC[C@H](C)[C@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000462292416 985279453 /nfs/dbraw/zinc/27/94/53/985279453.db2.gz ANNGWOTWFMHGCZ-HOTGVXAUSA-N -1 3 420.531 3.662 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@H]2CCOc3ccccc32)s1 ZINC000462301473 985287267 /nfs/dbraw/zinc/28/72/67/985287267.db2.gz XZNFCEUMYJNVFP-NSHDSACASA-N -1 3 402.335 3.664 20 0 HHADHM C[C@@H](NS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1cc2ccccc2s1 ZINC000442949085 985297406 /nfs/dbraw/zinc/29/74/06/985297406.db2.gz BEHQFDSRFPUWHW-SNVBAGLBSA-N -1 3 419.919 3.774 20 0 HHADHM C[C@@H](NS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)c1cc2ccccc2s1 ZINC000442949085 985297418 /nfs/dbraw/zinc/29/74/18/985297418.db2.gz BEHQFDSRFPUWHW-SNVBAGLBSA-N -1 3 419.919 3.774 20 0 HHADHM CCSc1ccc([C@H](C)NS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC000442955633 985300622 /nfs/dbraw/zinc/30/06/22/985300622.db2.gz YGHGXCQHLUJTBJ-NSHDSACASA-N -1 3 423.951 3.672 20 0 HHADHM CCSc1ccc([C@H](C)NS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC000442955633 985300633 /nfs/dbraw/zinc/30/06/33/985300633.db2.gz YGHGXCQHLUJTBJ-NSHDSACASA-N -1 3 423.951 3.672 20 0 HHADHM O=C1[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2F)CCCN1c1ccccc1Cl ZINC000462317140 985304366 /nfs/dbraw/zinc/30/43/66/985304366.db2.gz LMSMREVOICPYHX-AWEZNQCLSA-N -1 3 417.289 3.606 20 0 HHADHM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2ccc(C)c(Br)c2)o1 ZINC000462326953 985317056 /nfs/dbraw/zinc/31/70/56/985317056.db2.gz MYAZTYQJOFSPTP-OAHLLOKOSA-N -1 3 402.310 3.579 20 0 HHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)C(F)(F)F)cc1C ZINC000462344862 985334221 /nfs/dbraw/zinc/33/42/21/985334221.db2.gz ZCAHFRLUTLKSEN-OAHLLOKOSA-N -1 3 405.369 3.503 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000443014731 985337533 /nfs/dbraw/zinc/33/75/33/985337533.db2.gz CYWSVYWBLQUCMY-FQEVSTJZSA-N -1 3 417.433 3.819 20 0 HHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](C)c1cc(Cl)ccc1Cl ZINC000443032995 985346704 /nfs/dbraw/zinc/34/67/04/985346704.db2.gz DFDIMQNXOUIZBK-VIFPVBQESA-N -1 3 406.262 3.959 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H]1CCCOc2ccccc21 ZINC000443052125 985353819 /nfs/dbraw/zinc/35/38/19/985353819.db2.gz SCMLWSQOPOKBMU-OAHLLOKOSA-N -1 3 417.508 3.880 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000443063747 985358281 /nfs/dbraw/zinc/35/82/81/985358281.db2.gz AVHYJSVQHAOOCR-LBPRGKRZSA-N -1 3 420.487 3.775 20 0 HHADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC3(C2)CCCCC3)cc1 ZINC000462398789 985377154 /nfs/dbraw/zinc/37/71/54/985377154.db2.gz AMIITPXIYDEFBP-UHFFFAOYSA-N -1 3 414.593 3.573 20 0 HHADHM Cc1cnc([C@@H]([N-]S(=O)(=O)c2ccc(F)cc2Br)C2CC2)s1 ZINC000462401510 985379411 /nfs/dbraw/zinc/37/94/11/985379411.db2.gz JGPUJDLXLMQFHF-ZDUSSCGKSA-N -1 3 405.314 3.783 20 0 HHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H](C)c1cccc(Cl)c1Cl ZINC000443109790 985380228 /nfs/dbraw/zinc/38/02/28/985380228.db2.gz MBWIVNJGYKWQBD-SECBINFHSA-N -1 3 406.262 3.959 20 0 HHADHM CCOc1cccc2cc([C@H](C)[N-]S(=O)(=O)c3csc(C(=O)OC)c3)oc21 ZINC000462478049 985434420 /nfs/dbraw/zinc/43/44/20/985434420.db2.gz ZPJZCSOSGBHZPV-NSHDSACASA-N -1 3 409.485 3.719 20 0 HHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CO)Cc2c[nH]c3ccccc23)c1Cl ZINC000443211182 985443601 /nfs/dbraw/zinc/44/36/01/985443601.db2.gz DEQCUNITWAONQC-CYBMUJFWSA-N -1 3 413.326 3.665 20 0 HHADHM CC1(C)[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2Cl)[C@@H]2CCCO[C@H]21 ZINC000462493791 985447138 /nfs/dbraw/zinc/44/71/38/985447138.db2.gz VRCMPOUEANQDTO-ZLKJLUDKSA-N -1 3 408.745 3.584 20 0 HHADHM O=S(=O)([N-][C@@H](Cc1ccccc1)[C@H](O)C(F)F)c1cc(Cl)cc(Cl)c1 ZINC000443222641 985450232 /nfs/dbraw/zinc/45/02/32/985450232.db2.gz DYAOPBORHJTBIO-GJZGRUSLSA-N -1 3 410.269 3.509 20 0 HHADHM O=S(=O)([N-][C@H](CO)c1c(F)cccc1F)c1ccc(Cl)cc1C(F)(F)F ZINC000443275186 985466434 /nfs/dbraw/zinc/46/64/34/985466434.db2.gz PEZZRZSTDMAHOX-GFCCVEGCSA-N -1 3 415.767 3.649 20 0 HHADHM O=S(=O)([N-]Cc1ccc(Oc2ccc(F)cc2)nc1)c1cc(F)c(F)c(F)c1 ZINC000462542503 985490144 /nfs/dbraw/zinc/49/01/44/985490144.db2.gz DVHRFVDBIVBKOL-UHFFFAOYSA-N -1 3 412.364 3.909 20 0 HHADHM C[C@H](C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)Oc1cccc(Br)c1 ZINC000462573678 985521016 /nfs/dbraw/zinc/52/10/16/985521016.db2.gz DOHNZWCRQJEWQU-SECBINFHSA-N -1 3 424.238 3.612 20 0 HHADHM Oc1[n-]c(SCc2ncc(-c3ccc(Br)cc3)o2)nc2nncc1-2 ZINC000443397914 985551498 /nfs/dbraw/zinc/55/14/98/985551498.db2.gz HMQQVPVMWXDZRE-UHFFFAOYSA-N -1 3 404.249 3.768 20 0 HHADHM COc1cc(C(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)cc(OC)c1[O-] ZINC000462619193 985561972 /nfs/dbraw/zinc/56/19/72/985561972.db2.gz CJPFHLJMJMBTOI-NNUKFRKNSA-N -1 3 406.276 3.848 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)[C@@H](C)CC(C)C)c2)cc1 ZINC000462634408 985575877 /nfs/dbraw/zinc/57/58/77/985575877.db2.gz YNCIYGNHDZFSDP-INIZCTEOSA-N -1 3 404.532 3.794 20 0 HHADHM C[C@H]([N-]S(=O)(=O)Cc1cccc2cccnc21)c1nc(-c2cccc(F)c2)no1 ZINC000462661187 985600700 /nfs/dbraw/zinc/60/07/00/985600700.db2.gz OYJFTPPJRZCCBE-ZDUSSCGKSA-N -1 3 412.446 3.605 20 0 HHADHM O=S(=O)([N-][C@H]1CCO[C@H](c2ccccc2)C1)c1ccc(Br)s1 ZINC000462676462 985614801 /nfs/dbraw/zinc/61/48/01/985614801.db2.gz JZTUOMFPDDLHNM-STQMWFEESA-N -1 3 402.335 3.709 20 0 HHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2C[C@@H](C)N(c3ccccc3)C2=O)c1Cl ZINC000462699301 985640984 /nfs/dbraw/zinc/64/09/84/985640984.db2.gz HHPXUUMRWCMXHB-DOMZBBRYSA-N -1 3 413.326 3.774 20 0 HHADHM CCCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(CNC(=O)CC)c2)c(C)c1 ZINC000443469594 985643819 /nfs/dbraw/zinc/64/38/19/985643819.db2.gz RSHOAVGLFRIEEM-UHFFFAOYSA-N -1 3 420.531 3.619 20 0 HHADHM C[C@H]1C[C@H]([N-]S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1 ZINC000462701405 985643980 /nfs/dbraw/zinc/64/39/80/985643980.db2.gz HXOSRNNQYMUADB-SJCJKPOMSA-N -1 3 413.326 3.607 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](c1ccc(F)cc1F)C(C)C ZINC000443497625 985670854 /nfs/dbraw/zinc/67/08/54/985670854.db2.gz DQQRJEZWGHRCJM-QGZVFWFLSA-N -1 3 401.406 3.566 20 0 HHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CN[C@H](c3ccccc3)C(F)(F)F)cc2)n1 ZINC000468053261 985712232 /nfs/dbraw/zinc/71/22/32/985712232.db2.gz YEEUWGMTNILFDS-LJQANCHMSA-N -1 3 416.403 3.577 20 0 HHADHM CC[C@@H](CS(=O)(=O)c1ccccc1)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000443726127 985936475 /nfs/dbraw/zinc/93/64/75/985936475.db2.gz RZDIPAYLRPRMIA-LBPRGKRZSA-N -1 3 422.355 3.524 20 0 HHADHM Cc1cn2c(n1)[C@H](C[N-]S(=O)(=O)c1csc(-c3ccc(Cl)cc3)n1)CCC2 ZINC000443741407 985955935 /nfs/dbraw/zinc/95/59/35/985955935.db2.gz DYYDVNQZQMTIKL-AWEZNQCLSA-N -1 3 422.963 3.824 20 0 HHADHM CC(C)c1ccccc1OCCC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000443749477 985964072 /nfs/dbraw/zinc/96/40/72/985964072.db2.gz PUCAVQIVSQUMMB-UHFFFAOYSA-N -1 3 410.514 3.706 20 0 HHADHM Cc1ccc(C(C)C)c(OCCC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000443796692 985997130 /nfs/dbraw/zinc/99/71/30/985997130.db2.gz BNISPWLBEKMDAL-UHFFFAOYSA-N -1 3 410.514 3.578 20 0 HHADHM Cc1c(CN2CCSCC2)cccc1[N-]S(=O)(=O)c1cccc2ncccc21 ZINC000444031145 986226428 /nfs/dbraw/zinc/22/64/28/986226428.db2.gz MVTSLECEFLBMCJ-UHFFFAOYSA-N -1 3 413.568 3.893 20 0 HHADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(CN3CCSCC3)c2C)cc1 ZINC000444036654 986233925 /nfs/dbraw/zinc/23/39/25/986233925.db2.gz YGZZZFIXUJXBGH-UHFFFAOYSA-N -1 3 406.573 3.743 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cccc(-c3cscn3)c2)cc1OC ZINC000463278407 986246076 /nfs/dbraw/zinc/24/60/76/986246076.db2.gz BRAOXNSUSQGWOV-UHFFFAOYSA-N -1 3 417.512 3.833 20 0 HHADHM C[C@@H]([N-]S(=O)(=O)c1cnc(-c2ccccc2)nc1)c1ncc(-c2ccccc2)o1 ZINC000444066469 986269152 /nfs/dbraw/zinc/26/91/52/986269152.db2.gz XHANUVNMGYTVSR-OAHLLOKOSA-N -1 3 406.467 3.838 20 0 HHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl)c1ccon1 ZINC000444208352 986389691 /nfs/dbraw/zinc/38/96/91/986389691.db2.gz ACLVDFTUFRFPAY-ZCFIWIBFSA-N -1 3 400.081 3.783 20 0 HHADHM COc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)nc1 ZINC000463464856 986443693 /nfs/dbraw/zinc/44/36/93/986443693.db2.gz QPOUYNKSDWQIMW-UHFFFAOYSA-N -1 3 411.483 3.760 20 0 HHADHM COc1ccc(N(C)C(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)cc1F ZINC000444303531 986488696 /nfs/dbraw/zinc/48/86/96/986488696.db2.gz UZRAKYPEJDBUCE-UHFFFAOYSA-N -1 3 410.323 3.851 20 0 HHADHM CCN(CCc1nccs1)C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC000444324197 986504682 /nfs/dbraw/zinc/50/46/82/986504682.db2.gz CRXWGPLSHMWYOQ-UHFFFAOYSA-N -1 3 411.405 3.588 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1ccc(-c2ccccc2OC(F)(F)F)o1 ZINC000444333948 986511316 /nfs/dbraw/zinc/51/13/16/986511316.db2.gz DNYRBXIMWWBNGZ-UHFFFAOYSA-N -1 3 420.269 3.912 20 0 HHADHM COCCOc1ccc(F)cc1S(=O)(=O)[N-][C@@H](CC(F)(F)F)c1ccccc1 ZINC000468816842 986526018 /nfs/dbraw/zinc/52/60/18/986526018.db2.gz DCHZCXFSXZIAOW-HNNXBMFYSA-N -1 3 421.412 3.823 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N([C@@H](C)c2ccco2)C2CC2)cc1OC ZINC000444389369 986564947 /nfs/dbraw/zinc/56/49/47/986564947.db2.gz OENLDEKCBHVXDC-ZDUSSCGKSA-N -1 3 407.492 3.807 20 0 HHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCN(c2c(Cl)cccc2Cl)CC1 ZINC000468857792 986568094 /nfs/dbraw/zinc/56/80/94/986568094.db2.gz FKYMWMFKRDRTHY-UHFFFAOYSA-N -1 3 402.281 3.797 20 0 HHADHM CCOc1cc(C[N-]S(=O)(=O)c2c(F)cccc2Cl)ccc1OC(F)F ZINC000463675749 986658396 /nfs/dbraw/zinc/65/83/96/986658396.db2.gz GZCOMHOOMYVRES-UHFFFAOYSA-N -1 3 409.813 3.958 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000468954552 986659087 /nfs/dbraw/zinc/65/90/87/986659087.db2.gz KGAAJEZUFYPJGD-UHFFFAOYSA-N -1 3 408.876 3.991 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cn(-c4cc(C)cc(F)c4)nn3)c2)n1 ZINC000469004262 986709476 /nfs/dbraw/zinc/70/94/76/986709476.db2.gz NPGSHLZHYZDCHI-UHFFFAOYSA-N -1 3 418.432 3.692 20 0 HHADHM C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])c1ccc(Br)s1 ZINC000444532386 986719888 /nfs/dbraw/zinc/71/98/88/986719888.db2.gz GJNTUUBKAZRMHY-AAEUAGOBSA-N -1 3 423.332 3.698 20 0 HHADHM COC(=O)Cc1nc(NC(=O)c2c(Cl)cccc2Oc2ccccc2Cl)n[n-]1 ZINC000463742064 986730178 /nfs/dbraw/zinc/73/01/78/986730178.db2.gz SPBNWTYXSNLNGH-UHFFFAOYSA-N -1 3 421.240 3.872 20 0 HHADHM Cc1nc([C@H]([N-]S(=O)(=O)Cc2ccc(C)c(F)c2)c2ccc(Cl)cc2)no1 ZINC000469031070 986741467 /nfs/dbraw/zinc/74/14/67/986741467.db2.gz UQGAIHWMZFYOTF-QGZVFWFLSA-N -1 3 409.870 3.688 20 0 HHADHM CCc1ccc(CS(=O)(=O)[N-][C@@H](c2noc(C)n2)c2ccc(Cl)cc2)cc1 ZINC000469040408 986750068 /nfs/dbraw/zinc/75/00/68/986750068.db2.gz VFEMOIVRVAWTMT-GOSISDBHSA-N -1 3 405.907 3.803 20 0 HHADHM CSc1nc(NC(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)n[n-]1 ZINC000469060822 986773417 /nfs/dbraw/zinc/77/34/17/986773417.db2.gz WMJXWLVBUZFDCX-UHFFFAOYSA-N -1 3 413.290 3.845 20 0 HHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)Nc1c(F)cccc1NC1CC1 ZINC000469085876 986799045 /nfs/dbraw/zinc/79/90/45/986799045.db2.gz YKVDFHYPINPPCD-UHFFFAOYSA-N -1 3 407.449 3.837 20 0 HHADHM O=C(NCCc1cccs1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000469103771 986819667 /nfs/dbraw/zinc/81/96/67/986819667.db2.gz ZPXZRYXLAFZJFJ-UHFFFAOYSA-N -1 3 411.708 3.978 20 0 HHADHM CCOC(=O)c1nc(C2CCN(C(=O)C/C=C/c3ccc(C(C)C)cc3)CC2)n[n-]1 ZINC000444658850 986840173 /nfs/dbraw/zinc/84/01/73/986840173.db2.gz BWVYKGTUKNERCK-AATRIKPKSA-N -1 3 410.518 3.914 20 0 HHADHM CCOC(=O)c1nnc(C2CCN(C(=O)C/C=C/c3ccc(C(C)C)cc3)CC2)[n-]1 ZINC000444658850 986840180 /nfs/dbraw/zinc/84/01/80/986840180.db2.gz BWVYKGTUKNERCK-AATRIKPKSA-N -1 3 410.518 3.914 20 0 HHADHM CCOC(=O)c1nc(C2CCN(C(=O)Cc3ccc(-c4ccccc4)cc3)CC2)n[n-]1 ZINC000444660411 986842799 /nfs/dbraw/zinc/84/27/99/986842799.db2.gz FVDGORZCGDMDMS-UHFFFAOYSA-N -1 3 418.497 3.597 20 0 HHADHM CCOC(=O)c1nnc(C2CCN(C(=O)Cc3ccc(-c4ccccc4)cc3)CC2)[n-]1 ZINC000444660411 986842812 /nfs/dbraw/zinc/84/28/12/986842812.db2.gz FVDGORZCGDMDMS-UHFFFAOYSA-N -1 3 418.497 3.597 20 0 HHADHM COc1cc(OC)cc(N2CC[C@H](CNC(=O)CCCc3ccc([O-])c(F)c3)C2)c1 ZINC000469166966 986891700 /nfs/dbraw/zinc/89/17/00/986891700.db2.gz GOAKOLZTDRRTES-QGZVFWFLSA-N -1 3 416.493 3.514 20 0 HHADHM CCOC(=O)c1nc(C2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)n[n-]1 ZINC000444755238 986917007 /nfs/dbraw/zinc/91/70/07/986917007.db2.gz NVOINGXFFJPEKG-UHFFFAOYSA-N -1 3 404.470 3.668 20 0 HHADHM CCOC(=O)c1nnc(C2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)[n-]1 ZINC000444755238 986917013 /nfs/dbraw/zinc/91/70/13/986917013.db2.gz NVOINGXFFJPEKG-UHFFFAOYSA-N -1 3 404.470 3.668 20 0 HHADHM CCOC(=O)c1nc(C2CCN(C(=O)[C@@H](CC3CCCCC3)C(C)C)CC2)n[n-]1 ZINC000444763852 986924695 /nfs/dbraw/zinc/92/46/95/986924695.db2.gz VQQLDWWFGFYTKG-SFHVURJKSA-N -1 3 404.555 3.930 20 0 HHADHM CCOC(=O)c1nnc(C2CCN(C(=O)[C@@H](CC3CCCCC3)C(C)C)CC2)[n-]1 ZINC000444763852 986924702 /nfs/dbraw/zinc/92/47/02/986924702.db2.gz VQQLDWWFGFYTKG-SFHVURJKSA-N -1 3 404.555 3.930 20 0 HHADHM CCc1ccc(CS(=O)(=O)[N-][C@H](c2nc(-c3cccnc3)no2)C(C)C)cc1 ZINC000469256500 986975948 /nfs/dbraw/zinc/97/59/48/986975948.db2.gz PSMASIAQKNTCJT-SFHVURJKSA-N -1 3 400.504 3.511 20 0 HHADHM CCOC(=O)[C@@]1(C(C)C)CCN(C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)C1 ZINC000444859592 987016103 /nfs/dbraw/zinc/01/61/03/987016103.db2.gz YOEMRDXYAIZYKG-QFIPXVFZSA-N -1 3 412.490 3.601 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1 ZINC000469407962 987100700 /nfs/dbraw/zinc/10/07/00/987100700.db2.gz LYGQCZNUKIURGA-UHFFFAOYSA-N -1 3 415.856 3.999 20 0 HHADHM COc1ccc2c(c1)CN(C(=O)Cc1c(C)nc(C)[n-]c1=O)[C@@H](c1ccccc1)C2 ZINC000469467747 987152413 /nfs/dbraw/zinc/15/24/13/987152413.db2.gz AJOHAXFMZYZRKX-JOCHJYFZSA-N -1 3 403.482 3.676 20 0 HHADHM CN(Cc1ccccn1)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000469560569 987230827 /nfs/dbraw/zinc/23/08/27/987230827.db2.gz ONSPRWPPBOEESY-UHFFFAOYSA-N -1 3 406.667 3.611 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N3CCC[C@@H](CC(C)C)C3)c2)n1 ZINC000469660006 987317279 /nfs/dbraw/zinc/31/72/79/987317279.db2.gz IQWLDESSBHWPSH-INIZCTEOSA-N -1 3 410.518 3.635 20 0 HHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nc(Cc2ccc3c(c2)CCC3)no1 ZINC000445293734 987348433 /nfs/dbraw/zinc/34/84/33/987348433.db2.gz HUQYXFQACOTMPS-CYBMUJFWSA-N -1 3 417.918 3.842 20 0 HHADHM O=C(NC[C@@H]1CCCS1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000469717878 987371244 /nfs/dbraw/zinc/37/12/44/987371244.db2.gz PKKKRGMMPYKLAN-VIFPVBQESA-N -1 3 401.713 3.569 20 0 HHADHM O=C(Cc1noc(-c2cc3c(cc2[O-])OCO3)n1)Nc1cc(Cl)ccc1Cl ZINC000445338617 987395510 /nfs/dbraw/zinc/39/55/10/987395510.db2.gz AMIOSYPUKAFTCI-UHFFFAOYSA-N -1 3 408.197 3.659 20 0 HHADHM COc1cc(-c2nc(CC(=O)Nc3cccc(Cl)c3C)no2)cc(OC)c1[O-] ZINC000445341807 987397772 /nfs/dbraw/zinc/39/77/72/987397772.db2.gz MCXHKUUXASLEDC-UHFFFAOYSA-N -1 3 403.822 3.602 20 0 HHADHM COc1cc(-c2nc(-c3ccccc3I)no2)cc(OC)c1[O-] ZINC000445385972 987444186 /nfs/dbraw/zinc/44/41/86/987444186.db2.gz RHTPOVDMQDXSRS-UHFFFAOYSA-N -1 3 424.194 3.731 20 0 HHADHM Cc1cc(=O)[n-]c([C@H](C)Sc2nnc(-c3cccs3)n2C[C@H]2CCCO2)n1 ZINC000469804138 987445109 /nfs/dbraw/zinc/44/51/09/987445109.db2.gz KCBHRIVDPVMFBU-QWHCGFSZSA-N -1 3 403.533 3.843 20 0 HHADHM Cc1cc(=O)[n-]c([C@H](C)Sc2nnc(CN3CCCCC3)n2Cc2ccccc2)n1 ZINC000469810365 987450687 /nfs/dbraw/zinc/45/06/87/987450687.db2.gz WNIKIZCXDFZFEI-KRWDZBQOSA-N -1 3 424.574 3.970 20 0 HHADHM Cc1nc(C)c(CC(=O)N[C@@H](COc2c(C)cccc2C)c2ccccc2)c(=O)[n-]1 ZINC000469960303 987580353 /nfs/dbraw/zinc/58/03/53/987580353.db2.gz XGRPRSWNNUXVNJ-NRFANRHFSA-N -1 3 405.498 3.895 20 0 HHADHM CC(C)(c1noc(-c2cncc([N-]S(C)(=O)=O)c2)n1)c1ccc(Cl)cc1F ZINC000445601286 987670811 /nfs/dbraw/zinc/67/08/11/987670811.db2.gz QROGRNDWJIFMGR-UHFFFAOYSA-N -1 3 410.858 3.622 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@]3(C)CCCO3)ccc2C)cc1 ZINC000445642752 987716105 /nfs/dbraw/zinc/71/61/05/987716105.db2.gz PQSIMZQJVGEULJ-NRFANRHFSA-N -1 3 418.515 3.702 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@]3(C)CCCO3)ccc2C)cc1 ZINC000445642754 987716299 /nfs/dbraw/zinc/71/62/99/987716299.db2.gz PQSIMZQJVGEULJ-OAQYLSRUSA-N -1 3 418.515 3.702 20 0 HHADHM O=S(=O)([N-]C1(c2ccc(OCc3ccccc3)cc2)CCOCC1)c1ccco1 ZINC000445717892 987782749 /nfs/dbraw/zinc/78/27/49/987782749.db2.gz KHGXNMGDKHXQGC-UHFFFAOYSA-N -1 3 413.495 3.843 20 0 HHADHM Cc1nc(C)c(Cc2nc(C(C)(C)c3ccc(OC(F)(F)F)cc3)no2)c(=O)[n-]1 ZINC000445762231 987823859 /nfs/dbraw/zinc/82/38/59/987823859.db2.gz XQELMRWMRBXUOA-UHFFFAOYSA-N -1 3 408.380 3.997 20 0 HHADHM CCO[C@H](c1noc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2)n1)c1ccccc1 ZINC000445780460 987842820 /nfs/dbraw/zinc/84/28/20/987842820.db2.gz DAAZQKBKUBANQI-DYVFJYSZSA-N -1 3 421.906 3.888 20 0 HHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CC[C@H](C(F)(F)F)C1(C)C ZINC000470114452 988016012 /nfs/dbraw/zinc/01/60/12/988016012.db2.gz KYFUQGJQSOQGSF-HNNXBMFYSA-N -1 3 408.424 3.675 20 0 HHADHM O=S(=O)([N-]c1cc(-c2nc[nH]n2)ccc1F)c1ccc(F)c(C(F)(F)F)c1 ZINC000470264531 988212733 /nfs/dbraw/zinc/21/27/33/988212733.db2.gz ALOQOEOYMIZPEJ-UHFFFAOYSA-N -1 3 404.320 3.570 20 0 HHADHM Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000464144227 988265493 /nfs/dbraw/zinc/26/54/93/988265493.db2.gz ZEZZBIHPHUUYTE-LLVKDONJSA-N -1 3 409.328 3.975 20 0 HHADHM Cc1nc(C)c(CC(=O)Nc2cc(Br)cc(C(F)(F)F)c2)c(=O)[n-]1 ZINC000464146887 988268811 /nfs/dbraw/zinc/26/88/11/988268811.db2.gz QUZDTOBGOIHQOK-UHFFFAOYSA-N -1 3 404.186 3.762 20 0 HHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1C[C@@H](C)C[C@H]1c1ccccc1F ZINC000464226748 988341426 /nfs/dbraw/zinc/34/14/26/988341426.db2.gz ASBLYSVJZWUQDH-XOBRGWDASA-N -1 3 406.461 3.844 20 0 HHADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(Cc3nnc4n3CCCCC4)cc2)cc1 ZINC000464420203 988592211 /nfs/dbraw/zinc/59/22/11/988592211.db2.gz HOYXDKUAWWQCIG-UHFFFAOYSA-N -1 3 410.543 3.959 20 0 HHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H]1CCC[C@@H](C(=O)NC(C)C)C1 ZINC000470630234 988644035 /nfs/dbraw/zinc/64/40/35/988644035.db2.gz YNDHMHVUELRELE-HIFRSBDPSA-N -1 3 412.939 3.756 20 0 HHADHM Cc1nn(-c2ccccc2)c2sc(C(=O)[N-]c3nc4cc(Cl)ccn4n3)cc12 ZINC000464633783 988809085 /nfs/dbraw/zinc/80/90/85/988809085.db2.gz BTLJJIYMQUWIIO-UHFFFAOYSA-N -1 3 408.874 4.344 20 0 HHADHM COC(=O)[C@H]1c2ccccc2CCN1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000464826708 989064405 /nfs/dbraw/zinc/06/44/05/989064405.db2.gz FHDKKNPFXRKINH-LJQANCHMSA-N -1 3 421.478 3.929 20 0 HHADHM COC(=O)c1sc2[n-]c(CN3CC[C@H](c4ccc(C)cc4C)C3)nc(=O)c2c1C ZINC000471012522 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HHADHM O=C(NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)NCc1ncccc1[O-] ZINC000471543856 989743478 /nfs/dbraw/zinc/74/34/78/989743478.db2.gz VSHXUWKDZXNBCX-UHFFFAOYSA-N -1 3 417.444 3.778 20 0 HHADHM COc1ccc(NC(=O)[C@@H](OC)C2CC2)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000471577247 989780019 /nfs/dbraw/zinc/78/00/19/989780019.db2.gz IGKLDDFJOROLSK-SFHVURJKSA-N -1 3 424.906 3.513 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H](OC)C3CC3)ccc2C)cc1 ZINC000471580607 989784043 /nfs/dbraw/zinc/78/40/43/989784043.db2.gz IYRNIEUTJOXFDW-FQEVSTJZSA-N -1 3 418.515 3.558 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cc(C(C)C)n(C)n3)cc2)cc1 ZINC000471585532 989789020 /nfs/dbraw/zinc/78/90/20/989789020.db2.gz MVGAJCXBDRRIJB-UHFFFAOYSA-N -1 3 412.515 3.905 20 0 HHADHM C[C@H](NC(=O)NCc1ncccc1[O-])c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000471596168 989798876 /nfs/dbraw/zinc/79/88/76/989798876.db2.gz XOVNURBULUXSEN-HNNXBMFYSA-N -1 3 422.460 3.668 20 0 HHADHM CC(C)Cn1ccnc1C[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000471661558 989865313 /nfs/dbraw/zinc/86/53/13/989865313.db2.gz FBHHGCGEEKOONO-UHFFFAOYSA-N -1 3 424.723 3.573 20 0 HHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc4nc(C(F)(F)F)cn4c3)cc2)n1 ZINC000471777706 989966636 /nfs/dbraw/zinc/96/66/36/989966636.db2.gz BZUWQCQSKOCWSN-UHFFFAOYSA-N -1 3 413.359 3.664 20 0 HHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1ccc(NC(=O)C(C)C)cc1 ZINC000471785863 989973916 /nfs/dbraw/zinc/97/39/16/989973916.db2.gz FTOIKYNASHGQTH-UHFFFAOYSA-N -1 3 404.463 3.953 20 0 HHADHM C[C@H]1CSc2ccc(Br)cc2[C@@H]1NC(=O)NCc1ncccc1[O-] ZINC000471819908 990000461 /nfs/dbraw/zinc/00/04/61/990000461.db2.gz KAMFJEYQGLGWNG-MGPLVRAMSA-N -1 3 408.321 3.832 20 0 HHADHM COc1ccc(C[C@H](NC(=O)NCc2ncccc2[O-])c2ccccc2)cc1OC ZINC000471841244 990016053 /nfs/dbraw/zinc/01/60/53/990016053.db2.gz XAPJVUHDFMDZMS-SFHVURJKSA-N -1 3 407.470 3.588 20 0 HHADHM COC(=O)c1cc(NC(=O)NCc2ccc([O-])c(Br)c2)c(C)cc1C ZINC000471853082 990026477 /nfs/dbraw/zinc/02/64/77/990026477.db2.gz PIWXGNSPPPFWQN-UHFFFAOYSA-N -1 3 407.264 3.880 20 0 HHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)c1noc(-c2ccccc2)n1 ZINC000471870718 990042898 /nfs/dbraw/zinc/04/28/98/990042898.db2.gz JZNYVHGINYCYNY-SNVBAGLBSA-N -1 3 415.368 3.934 20 0 HHADHM Cc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3ccc4c(c3)CCC4)n2)cc1F ZINC000471871531 990044021 /nfs/dbraw/zinc/04/40/21/990044021.db2.gz PYRLCRRHRUWJDP-CYBMUJFWSA-N -1 3 401.463 3.712 20 0 HHADHM Cc1cc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3ccc4c(c3)C[C@H](C)O4)n2)ccc1F ZINC000471875182 990047087 /nfs/dbraw/zinc/04/70/87/990047087.db2.gz WHAZJZIHWRUBJG-QWHCGFSZSA-N -1 3 417.462 3.547 20 0 HHADHM Cc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3cccc4cccnc43)n2)cc1F ZINC000471892253 990065268 /nfs/dbraw/zinc/06/52/68/990065268.db2.gz HBHHUOOIWHZRKZ-CYBMUJFWSA-N -1 3 412.446 3.772 20 0 HHADHM Cc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccc4c(c3)C[C@@H](C)O4)n2)cc1F ZINC000471895550 990066795 /nfs/dbraw/zinc/06/67/95/990066795.db2.gz MCWUFPKTGWFRNK-OLZOCXBDSA-N -1 3 417.462 3.547 20 0 HHADHM COc1ccccc1CC(=O)N1CCC(NC(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000471943198 990106996 /nfs/dbraw/zinc/10/69/96/990106996.db2.gz MHEBAEPITBICMT-UHFFFAOYSA-N -1 3 418.493 3.518 20 0 HHADHM Cc1cc(Br)c(F)cc1[N-]S(=O)(=O)CCOc1ccc(F)cc1 ZINC000471955210 990120187 /nfs/dbraw/zinc/12/01/87/990120187.db2.gz WPIZJQDQWPZUNE-UHFFFAOYSA-N -1 3 406.248 3.856 20 0 HHADHM O=C(NCc1ccc(Oc2ccccc2C(F)(F)F)nc1)NCc1ncccc1[O-] ZINC000471980044 990146567 /nfs/dbraw/zinc/14/65/67/990146567.db2.gz UAYVIUFQKDQQGY-UHFFFAOYSA-N -1 3 418.375 3.993 20 0 HHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CC[C@H](C)[C@@H]1c1cccc(F)c1 ZINC000472063296 990226425 /nfs/dbraw/zinc/22/64/25/990226425.db2.gz MXSQKEKCAFCGEV-LHSJRXKWSA-N -1 3 406.461 3.844 20 0 HHADHM CN(C(=O)[C@H](Cc1ccccc1)NC(=O)NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000465975443 991128490 /nfs/dbraw/zinc/12/84/90/991128490.db2.gz ACKSHFUGJWIXGC-NRFANRHFSA-N -1 3 421.472 3.605 20 0 HHADHM O=S(=O)([N-]c1cc(F)ccc1Br)c1cc2c(cc1Cl)OCCO2 ZINC000466289699 991538731 /nfs/dbraw/zinc/53/87/31/991538731.db2.gz QJZYCASNOVDDOC-UHFFFAOYSA-N -1 3 422.659 3.814 20 0 HHADHM O=S(=O)([N-][C@@H]1COc2ccc(F)cc21)c1ccc(Br)cc1Cl ZINC000466541118 991846355 /nfs/dbraw/zinc/84/63/55/991846355.db2.gz IHRFEXSVKGVMPP-GFCCVEGCSA-N -1 3 406.660 3.654 20 0 HHADHM O=S(=O)([N-][C@@H]1COc2ccc(F)cc21)c1cc(Br)ccc1Cl ZINC000466544776 991853042 /nfs/dbraw/zinc/85/30/42/991853042.db2.gz OWOGGHBLRRNFJE-GFCCVEGCSA-N -1 3 406.660 3.654 20 0 HHADHM C[C@H](c1ccccc1)N(CC(N)=O)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000466664265 991977973 /nfs/dbraw/zinc/97/79/73/991977973.db2.gz DSMLTFXNFUXKOH-CYBMUJFWSA-N -1 3 408.483 3.705 20 0 HHADHM Cc1cccc(C[C@H](CO)[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c1 ZINC000466724871 992035884 /nfs/dbraw/zinc/03/58/84/992035884.db2.gz MXYFUULEDPTWQN-CQSZACIVSA-N -1 3 407.841 3.549 20 0 HHADHM CS(=O)(=O)c1c(Cl)cccc1[N-]C(=O)c1cc(COc2ccccc2F)on1 ZINC000466874847 992196440 /nfs/dbraw/zinc/19/64/40/992196440.db2.gz RNLSQNMSGPRELN-UHFFFAOYSA-N -1 3 424.837 3.702 20 0 HHADHM CC(C)(C)OC(=O)CCC[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000466922698 992235747 /nfs/dbraw/zinc/23/57/47/992235747.db2.gz CIEFGSVHOAMNBF-UHFFFAOYSA-N -1 3 412.733 3.503 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H]3CCCc4nn(C)cc43)cc2)cc1 ZINC000466944932 992255661 /nfs/dbraw/zinc/25/56/61/992255661.db2.gz YQIXALHLQISBLS-LJQANCHMSA-N -1 3 424.526 3.588 20 0 HHADHM CCS[C@H]1CC[C@@H](N(C)C(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)C1 ZINC000466980549 992290965 /nfs/dbraw/zinc/29/09/65/992290965.db2.gz HTLMCQOXTGBCJA-CABCVRRESA-N -1 3 415.581 3.595 20 0 HHADHM CCC[C@@H]1CCCN(C(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000467277671 992599353 /nfs/dbraw/zinc/59/93/53/992599353.db2.gz GUFIZIXIIZXSIW-CYBMUJFWSA-N -1 3 407.363 3.701 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3[C@H](C)CC[C@@H]3C)c2)cc1 ZINC000467496701 992782257 /nfs/dbraw/zinc/78/22/57/992782257.db2.gz XVLLLOIRAFBIJS-IYBDPMFKSA-N -1 3 402.516 3.817 20 0 HHADHM CC(C)C[C@H]1CCCCN1C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000467498166 992782951 /nfs/dbraw/zinc/78/29/51/992782951.db2.gz CHIIZFPXYQTKNN-OAHLLOKOSA-N -1 3 407.511 3.995 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3[C@H](C)CC[C@H]3C)ccc2C)cc1 ZINC000467501794 992785386 /nfs/dbraw/zinc/78/53/86/992785386.db2.gz KVIXZTBKMIFTDV-HZPDHXFCSA-N -1 3 402.516 3.817 20 0 HHADHM COc1ccc(CCC[N-]S(=O)(=O)c2oc3ccc(F)cc3c2C)cc1OC ZINC000472118310 993170607 /nfs/dbraw/zinc/17/06/07/993170607.db2.gz SLCBDSQPWSLCDJ-UHFFFAOYSA-N -1 3 407.463 3.809 20 0 HHADHM C[C@@](NC(=O)c1cc([O-])c2ccccc2c1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000472259696 993285201 /nfs/dbraw/zinc/28/52/01/993285201.db2.gz QWUKLQMDDOZSJV-FQEVSTJZSA-N -1 3 402.372 3.695 20 0 HHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C(C)(C)c1cn(-c2ccccc2)nn1 ZINC000472340021 993346307 /nfs/dbraw/zinc/34/63/07/993346307.db2.gz MSZCNMQFPNXAKS-UHFFFAOYSA-N -1 3 414.462 3.675 20 0 HHADHM C[C@@H]([N-]S(=O)(=O)c1cc(Br)c(Cl)cc1Cl)c1ccon1 ZINC000472612715 993561790 /nfs/dbraw/zinc/56/17/90/993561790.db2.gz PRGDTPUMYDMEDB-ZCFIWIBFSA-N -1 3 400.081 3.783 20 0 HHADHM CCNc1cc(C)ccc1NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000480824039 993700136 /nfs/dbraw/zinc/70/01/36/993700136.db2.gz NMRNNYJXBNMEHY-UHFFFAOYSA-N -1 3 416.478 3.947 20 0 HHADHM CC(C)n1ncc2c1C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)CC2 ZINC000480853968 993726418 /nfs/dbraw/zinc/72/64/18/993726418.db2.gz QUDXJJBEQYGNCP-ZDUSSCGKSA-N -1 3 421.872 3.972 20 0 HHADHM Cn1cc(CCNC(=O)NCc2ccc([O-])c(Br)c2)c2ccc(F)cc21 ZINC000472849567 993782077 /nfs/dbraw/zinc/78/20/77/993782077.db2.gz AQKANWLNZSKXJD-UHFFFAOYSA-N -1 3 420.282 3.827 20 0 HHADHM CC(C)[C@@H]([N-]S(=O)(=O)Cc1ccc(Br)cc1)c1nc(C2CC2)no1 ZINC000480992744 993834930 /nfs/dbraw/zinc/83/49/30/993834930.db2.gz WMDKWLUEQHVTBK-CQSZACIVSA-N -1 3 414.325 3.526 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CC[C@@H](C4CC4)C3)ccc2C)cc1 ZINC000481055066 993896635 /nfs/dbraw/zinc/89/66/35/993896635.db2.gz VABIRJFFDFSRSD-GOSISDBHSA-N -1 3 414.527 3.677 20 0 HHADHM COc1cccc(-n2nc(C)c([C@H]3COCCN3Cc3cc([O-])cc(F)c3)c2C)c1 ZINC000473121533 994013898 /nfs/dbraw/zinc/01/38/98/994013898.db2.gz KDQIQBHAFUNISW-JOCHJYFZSA-N -1 3 411.477 3.916 20 0 HHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccc(OC(F)F)cc1)c1ccc(Br)s1 ZINC000481260767 994081361 /nfs/dbraw/zinc/08/13/61/994081361.db2.gz PFONDIMWVSIWSE-WDEREUQCSA-N -1 3 424.288 3.946 20 0 HHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1cc(F)cc(NCC(F)(F)F)c1 ZINC000473235960 994087187 /nfs/dbraw/zinc/08/71/87/994087187.db2.gz JEBMCTVGMURMOJ-UHFFFAOYSA-N -1 3 423.370 3.917 20 0 HHADHM COC(=O)c1sc2[n-]c(CNC(C)(C)c3cccc(Cl)c3F)nc(=O)c2c1C ZINC000473425933 994277902 /nfs/dbraw/zinc/27/79/02/994277902.db2.gz GIBHZJBCUVNEBK-UHFFFAOYSA-N -1 3 423.897 3.897 20 0 HHADHM COc1cccc([C@@H]2CN(C(=O)Nc3ccc(-c4cc(=O)[n-]c(C)n4)cc3)CCO2)c1 ZINC000481453662 994289673 /nfs/dbraw/zinc/28/96/73/994289673.db2.gz NYXQMGUTKYWMOS-NRFANRHFSA-N -1 3 420.469 3.772 20 0 HHADHM COc1cccc([C@H]2CN(C(=O)Nc3ccc(-c4cc(=O)[n-]c(C)n4)cc3)CCO2)c1 ZINC000481453663 994289847 /nfs/dbraw/zinc/28/98/47/994289847.db2.gz NYXQMGUTKYWMOS-OAQYLSRUSA-N -1 3 420.469 3.772 20 0 HHADHM O=S(=O)(Cc1cc(Cl)ccc1F)[N-][C@H](CO)c1c(Cl)cccc1Cl ZINC000481470871 994305371 /nfs/dbraw/zinc/30/53/71/994305371.db2.gz DMOFMQFUGVESPU-CQSZACIVSA-N -1 3 412.697 3.939 20 0 HHADHM COc1ccc(Cl)cc1CS(=O)(=O)[N-][C@@H](CO)c1c(Cl)cccc1Cl ZINC000481474108 994308137 /nfs/dbraw/zinc/30/81/37/994308137.db2.gz BGJAGJWIQWZJEU-AWEZNQCLSA-N -1 3 424.733 3.808 20 0 HHADHM Cc1cc(C)n(-c2ccc(NC(=O)NCc3ccc([O-])c(Br)c3)cn2)n1 ZINC000481478280 994312431 /nfs/dbraw/zinc/31/24/31/994312431.db2.gz YYLCGDABXYSLSD-UHFFFAOYSA-N -1 3 416.279 3.674 20 0 HHADHM O=S(=O)(Cc1ccc(Cl)c(F)c1)[N-][C@@H](CO)c1c(Cl)cccc1Cl ZINC000481489490 994322433 /nfs/dbraw/zinc/32/24/33/994322433.db2.gz FXBDZDFUSRQNEQ-AWEZNQCLSA-N -1 3 412.697 3.939 20 0 HHADHM CC(C)(C)N1C(=O)C[C@H](C(=O)NCc2ncccc2[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000473639718 994520960 /nfs/dbraw/zinc/52/09/60/994520960.db2.gz QXONCJDDGCFPSR-DJJJIMSYSA-N -1 3 419.884 3.584 20 0 HHADHM Cc1ccc(NC(=O)c2cn(C(C)C)cn2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000481796732 994644853 /nfs/dbraw/zinc/64/48/53/994644853.db2.gz BLCKUFGIOXNLTR-UHFFFAOYSA-N -1 3 416.478 3.965 20 0 HHADHM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2c(F)cccc2N2CCCC2)c1 ZINC000473758536 994670705 /nfs/dbraw/zinc/67/07/05/994670705.db2.gz OYWUIFXKOWCFEC-UHFFFAOYSA-N -1 3 406.479 3.712 20 0 HHADHM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc3nc(C(F)F)[nH]c3c2)c1 ZINC000473765542 994682451 /nfs/dbraw/zinc/68/24/51/994682451.db2.gz MCIQIVGZJYEMNH-UHFFFAOYSA-N -1 3 409.414 3.786 20 0 HHADHM CCc1cc(C)cc(CC)c1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)N(C)C)c1 ZINC000481874138 994738964 /nfs/dbraw/zinc/73/89/64/994738964.db2.gz XXDVBRCHRHMQCE-UHFFFAOYSA-N -1 3 404.532 3.631 20 0 HHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(CN(C)C)c(Cl)c2)cc1OCC ZINC000481882276 994746875 /nfs/dbraw/zinc/74/68/75/994746875.db2.gz KXHCSXOCXPZUER-UHFFFAOYSA-N -1 3 412.939 4.000 20 0 HHADHM Cc1ccsc1-c1nc(=NC(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)s[n-]1 ZINC000473834786 994767859 /nfs/dbraw/zinc/76/78/59/994767859.db2.gz BBGLSLIINMUXOW-HOCLYGCPSA-N -1 3 413.572 3.954 20 0 HHADHM CCN1CCN(c2ccc([N-]S(=O)(=O)c3c(C)ccc4cccnc43)c(C)c2)CC1 ZINC000481922022 994794393 /nfs/dbraw/zinc/79/43/93/994794393.db2.gz LWAAJQPAWGNIAL-UHFFFAOYSA-N -1 3 424.570 3.794 20 0 HHADHM CCCOc1c(Cl)cc(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)cc1OCC ZINC000473906374 994867948 /nfs/dbraw/zinc/86/79/48/994867948.db2.gz KMYBYHJMGDIGMI-UHFFFAOYSA-N -1 3 415.881 3.884 20 0 HHADHM CCCOc1c(Cl)cc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)cc1OCC ZINC000473906374 994867957 /nfs/dbraw/zinc/86/79/57/994867957.db2.gz KMYBYHJMGDIGMI-UHFFFAOYSA-N -1 3 415.881 3.884 20 0 HHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)C1(c2ccc(Br)cc2)CCC1 ZINC000473934702 994907676 /nfs/dbraw/zinc/90/76/76/994907676.db2.gz WRBKLYXBZGWMCV-UHFFFAOYSA-N -1 3 412.291 3.613 20 0 HHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)C1(c2ccc(Br)cc2)CCC1 ZINC000473934702 994907688 /nfs/dbraw/zinc/90/76/88/994907688.db2.gz WRBKLYXBZGWMCV-UHFFFAOYSA-N -1 3 412.291 3.613 20 0 HHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCC[C@H](C(F)(F)F)[C@H]1C ZINC000482015292 994924556 /nfs/dbraw/zinc/92/45/56/994924556.db2.gz JAFGHYNIYVWEDW-CJNGLKHVSA-N -1 3 408.424 3.675 20 0 HHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N[C@@H](CCc1ccccc1)C(F)(F)F ZINC000482018639 994929336 /nfs/dbraw/zinc/92/93/36/994929336.db2.gz LLPXYWZWLDZUQK-INIZCTEOSA-N -1 3 418.419 3.845 20 0 HHADHM CC[C@](C)([N-]S(=O)(=O)c1cc(OC)ccc1Br)c1nccs1 ZINC000474130150 995105742 /nfs/dbraw/zinc/10/57/42/995105742.db2.gz CIXYEGWUNITODX-AWEZNQCLSA-N -1 3 405.339 3.518 20 0 HHADHM O=C(NC1(c2cc(C(F)(F)F)ccc2Cl)CC1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000482158694 995114343 /nfs/dbraw/zinc/11/43/43/995114343.db2.gz UZPOPUVKTKDBEE-UHFFFAOYSA-N -1 3 408.763 3.662 20 0 HHADHM Cc1cc(Br)cc2c(C(=O)NCc3ccc(-c4nnn[n-]4)cc3)coc21 ZINC000474157401 995141420 /nfs/dbraw/zinc/14/14/20/995141420.db2.gz IKXNQUSEYKOGEX-UHFFFAOYSA-N -1 3 412.247 3.614 20 0 HHADHM Cc1cc(Br)cc2c(C(=O)NCc3ccc(-c4nn[n-]n4)cc3)coc21 ZINC000474157401 995141424 /nfs/dbraw/zinc/14/14/24/995141424.db2.gz IKXNQUSEYKOGEX-UHFFFAOYSA-N -1 3 412.247 3.614 20 0 HHADHM COC[C@@H]([N-]S(=O)(=O)c1ccc(Oc2ccc(OC)cc2)cc1)c1ccco1 ZINC000474179233 995168733 /nfs/dbraw/zinc/16/87/33/995168733.db2.gz WQGZBKYPNCINBI-LJQANCHMSA-N -1 3 403.456 3.747 20 0 HHADHM O=C(NCc1cc(Br)cs1)NCc1ccc([O-])c(Br)c1 ZINC000482275519 995252745 /nfs/dbraw/zinc/25/27/45/995252745.db2.gz QTQSHETUXPXDPW-UHFFFAOYSA-N -1 3 420.126 3.978 20 0 HHADHM CC(C)[C@H]1CCCN(C(=O)c2c[n-]c3ccc(I)cc3c2=O)C1 ZINC000474417244 995381643 /nfs/dbraw/zinc/38/16/43/995381643.db2.gz UMYZHZNJGFWNGI-LBPRGKRZSA-N -1 3 424.282 3.641 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)NCc1ccccc1Br ZINC000482469579 995473737 /nfs/dbraw/zinc/47/37/37/995473737.db2.gz SDRKJIYJUGFEAD-UHFFFAOYSA-N -1 3 414.097 3.917 20 0 HHADHM COc1ccc(C[C@H](C)NC(=O)NCc2ccc([O-])c(Br)c2)cc1OC ZINC000482476414 995481726 /nfs/dbraw/zinc/48/17/26/995481726.db2.gz KVWMOVXQRTZEEL-LBPRGKRZSA-N -1 3 423.307 3.602 20 0 HHADHM O=C(NCCCc1nc2c(s1)CCCC2)NCc1ccc([O-])c(Br)c1 ZINC000482481180 995487797 /nfs/dbraw/zinc/48/77/97/995487797.db2.gz SVLJGAJMIDMDOK-UHFFFAOYSA-N -1 3 424.364 3.922 20 0 HHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cccc(C(=O)N2CCc3ccccc32)c1 ZINC000474569924 995532669 /nfs/dbraw/zinc/53/26/69/995532669.db2.gz HTDKIWHQCPNEQX-UHFFFAOYSA-N -1 3 420.494 3.668 20 0 HHADHM CC(C)Oc1ccc([N-]S(=O)(=O)Cc2nc([C@H]3CCC(F)(F)C3)no2)cc1 ZINC000482584914 995587609 /nfs/dbraw/zinc/58/76/09/995587609.db2.gz XAYZXNZFLXVSOT-LBPRGKRZSA-N -1 3 401.435 3.702 20 0 HHADHM CC[C@@H](CNC(=O)NCc1ccc([O-])c(Br)c1)Oc1ccccc1F ZINC000482599209 995598827 /nfs/dbraw/zinc/59/88/27/995598827.db2.gz SVBUVAARDMGANM-ZDUSSCGKSA-N -1 3 411.271 3.951 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@H]3CCSC3)ccc2C)cc1 ZINC000474671976 995615962 /nfs/dbraw/zinc/61/59/62/995615962.db2.gz XERIEPSYILBOBD-HNNXBMFYSA-N -1 3 420.556 3.886 20 0 HHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cccc(CN(C)Cc2cscn2)c1 ZINC000474684078 995627210 /nfs/dbraw/zinc/62/72/10/995627210.db2.gz IAGCXBBEAFSZQX-UHFFFAOYSA-N -1 3 415.544 3.553 20 0 HHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cccc(C[S@@](=O)c2ccccc2)c1 ZINC000474800513 995714917 /nfs/dbraw/zinc/71/49/17/995714917.db2.gz HZOLVGABJCUWAV-MUUNZHRXSA-N -1 3 413.524 3.773 20 0 HHADHM C[C@H](NC(=O)NCc1ccc([O-])c(Br)c1)c1ccccc1-n1cccn1 ZINC000482855604 995794339 /nfs/dbraw/zinc/79/43/39/995794339.db2.gz FPXZQCSHJXJYRG-ZDUSSCGKSA-N -1 3 415.291 3.901 20 0 HHADHM COC(=O)c1sc2[n-]c(CN3CCCC[C@@H]3c3ccc(F)cc3)nc(=O)c2c1C ZINC000482926261 995855404 /nfs/dbraw/zinc/85/54/04/995855404.db2.gz HBDHTAHXTSZHFF-OAHLLOKOSA-N -1 3 415.490 3.946 20 0 HHADHM CCOC(=O)c1csc([C@H]2CCCN2C(=O)CCCc2ccc([O-])c(F)c2)n1 ZINC000482949595 995875637 /nfs/dbraw/zinc/87/56/37/995875637.db2.gz PNTRKHWYICUTBJ-MRXNPFEDSA-N -1 3 406.479 3.851 20 0 HHADHM C[C@@H]1CCSCCN1C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000482956050 995879920 /nfs/dbraw/zinc/87/99/20/995879920.db2.gz YNQNTZLGXSPNFF-CQSZACIVSA-N -1 3 408.520 3.594 20 0 HHADHM Cc1nc(C)c(CCC(=O)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2)c(=O)[n-]1 ZINC000475063124 995898578 /nfs/dbraw/zinc/89/85/78/995898578.db2.gz BXFYTYZCBHCGQT-OAHLLOKOSA-N -1 3 423.344 3.824 20 0 HHADHM Cc1cccc2c(=O)c(C(=O)Nc3ccc4c(c3)CCN4C(=O)c3cccnc3)c[n-]c12 ZINC000483049555 995941340 /nfs/dbraw/zinc/94/13/40/995941340.db2.gz OEBIHJGRJIRQME-UHFFFAOYSA-N -1 3 424.460 3.687 20 0 HHADHM COc1cc(C(=O)N[C@H](C)c2cccc(OCc3ccccn3)c2)cc(OC)c1[O-] ZINC000483129297 995992859 /nfs/dbraw/zinc/99/28/59/995992859.db2.gz JNCBYGZKQUNURT-OAHLLOKOSA-N -1 3 408.454 3.874 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@H](C)c2cn(C)c3ccccc23)cc1OC ZINC000475381029 996102144 /nfs/dbraw/zinc/10/21/44/996102144.db2.gz AIRJNQCZRJRGDD-CQSZACIVSA-N -1 3 415.515 3.691 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000483540338 996240440 /nfs/dbraw/zinc/24/04/40/996240440.db2.gz HCHGOWDSJNAADW-CYBMUJFWSA-N -1 3 413.450 3.804 20 0 HHADHM CO[C@@H]1CCC[C@@H](CC(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)C1 ZINC000475659084 996282770 /nfs/dbraw/zinc/28/27/70/996282770.db2.gz WZLDYWXDSDQWQE-DGCLKSJQSA-N -1 3 408.442 3.611 20 0 HHADHM O=C(CSc1nnc([N-]c2ccccc2F)s1)Nc1nnc(-c2ccco2)o1 ZINC000475739578 996338208 /nfs/dbraw/zinc/33/82/08/996338208.db2.gz NDUXGBGJOPDEJW-UHFFFAOYSA-N -1 3 418.435 3.795 20 0 HHADHM CN(C)c1nc2cc(NC(=O)NCc3ccc([O-])c(Br)c3)ccc2o1 ZINC000484058049 996546408 /nfs/dbraw/zinc/54/64/08/996546408.db2.gz LBUYDJHRQLBMCL-UHFFFAOYSA-N -1 3 405.252 3.684 20 0 HHADHM CCC(=O)NCc1cc(S(=O)(=O)[N-]c2ccc(-c3ccc[nH]3)cc2)ccc1OC ZINC000484142386 996595961 /nfs/dbraw/zinc/59/59/61/996595961.db2.gz WWMYLXDGYFIKPB-UHFFFAOYSA-N -1 3 413.499 3.517 20 0 HHADHM Cc1c(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)sc2nc3n(c(=O)c12)CCC3 ZINC000476137180 996626499 /nfs/dbraw/zinc/62/64/99/996626499.db2.gz FHBURQNQPFIPEK-UHFFFAOYSA-N -1 3 409.389 3.689 20 0 HHADHM O=C(Cc1ccc(F)cc1)N1CCC[C@H](C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)C1 ZINC000476139351 996628639 /nfs/dbraw/zinc/62/86/39/996628639.db2.gz GHUZJNTVGLNTPD-AWEZNQCLSA-N -1 3 424.394 3.970 20 0 HHADHM O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)C1 ZINC000484198512 996631094 /nfs/dbraw/zinc/63/10/94/996631094.db2.gz HPGBICLXQTVPKO-ZDUSSCGKSA-N -1 3 414.383 3.681 20 0 HHADHM C[C@H](CC(=O)Nc1ccc([O-])c(C(F)(F)F)c1)S(=O)(=O)c1ccc(F)cc1 ZINC000476165388 996647872 /nfs/dbraw/zinc/64/78/72/996647872.db2.gz OQIKMPZWMXCSJR-SNVBAGLBSA-N -1 3 405.369 3.741 20 0 HHADHM CC(=O)N[C@H](CC(=O)Nc1ccc([O-])c(C(F)(F)F)c1)c1ccc(F)cc1F ZINC000476182879 996662545 /nfs/dbraw/zinc/66/25/45/996662545.db2.gz ZBHHCBNWXABXCD-OAHLLOKOSA-N -1 3 402.319 3.895 20 0 HHADHM COc1ccc([C@H]2CCCN2C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)cc1OC ZINC000484262742 996666331 /nfs/dbraw/zinc/66/63/31/996666331.db2.gz RNROZNKBZBACJC-QGZVFWFLSA-N -1 3 414.408 3.801 20 0 HHADHM CC(=O)Nc1cccc(NC(=O)c2c[n-]c3ccc(Br)cc3c2=O)c1C ZINC000484269369 996669483 /nfs/dbraw/zinc/66/94/83/996669483.db2.gz AVSZIMUTBQDOSV-UHFFFAOYSA-N -1 3 414.259 3.810 20 0 HHADHM CCOC(=O)c1ccc(NC(=O)c2cn(C)nc2-c2ccc(Cl)s2)c([O-])c1 ZINC000476313390 996749214 /nfs/dbraw/zinc/74/92/14/996749214.db2.gz JHZRQAZBIVZWNH-UHFFFAOYSA-N -1 3 405.863 3.937 20 0 HHADHM Cc1cnc([C@H]([N-]S(=O)(=O)c2ccc(Br)cc2F)C2CC2)s1 ZINC000476333096 996762250 /nfs/dbraw/zinc/76/22/50/996762250.db2.gz CJQAKYMRUJSFBH-CYBMUJFWSA-N -1 3 405.314 3.783 20 0 HHADHM CC(C)[C@@H](C[N-]S(=O)(=O)c1ccc(Br)cc1F)c1cccnc1 ZINC000476344263 996768433 /nfs/dbraw/zinc/76/84/33/996768433.db2.gz XCVJFGGAZRWHPD-CQSZACIVSA-N -1 3 401.301 3.701 20 0 HHADHM Cc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1cc2c(cc1F)CCC(=O)N2 ZINC000476380217 996820887 /nfs/dbraw/zinc/82/08/87/996820887.db2.gz QBNCVLOPGGRURQ-UHFFFAOYSA-N -1 3 402.369 3.838 20 0 HHADHM Cc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccc4ncsc4c3)n2)cc1F ZINC000476419123 996883065 /nfs/dbraw/zinc/88/30/65/996883065.db2.gz QNBMCEXDMZYDPH-NSHDSACASA-N -1 3 418.475 3.833 20 0 HHADHM O=S(=O)([N-]C[C@H](CCO)c1ccccc1)c1ccc(Cl)cc1C(F)(F)F ZINC000476419430 996884779 /nfs/dbraw/zinc/88/47/79/996884779.db2.gz RPGAIKNIDBDXMP-ZDUSSCGKSA-N -1 3 407.841 3.803 20 0 HHADHM COC[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1F)c1ccc(F)c(F)c1 ZINC000476506390 996993959 /nfs/dbraw/zinc/99/39/59/996993959.db2.gz GVBBJRIVVFQFTJ-AWEZNQCLSA-N -1 3 424.238 3.532 20 0 HHADHM CCCCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)C1(C)C ZINC000484777708 997125442 /nfs/dbraw/zinc/12/54/42/997125442.db2.gz AOLMZBKRKHLUIY-SJORKVTESA-N -1 3 420.934 3.700 20 0 HHADHM COc1ccccc1-n1cc(S(=O)(=O)[N-]C[C@H]2CCCC[C@@H]2C(F)(F)F)cn1 ZINC000484790094 997140895 /nfs/dbraw/zinc/14/08/95/997140895.db2.gz UQSGCTJOBWYNMN-HIFRSBDPSA-N -1 3 417.453 3.528 20 0 HHADHM O=S(=O)([N-]C[C@@H]1CCCC[C@H]1C(F)(F)F)c1cnn(-c2ccccc2F)c1 ZINC000484790894 997141903 /nfs/dbraw/zinc/14/19/03/997141903.db2.gz WIDAWZMFKKHNLB-GXTWGEPZSA-N -1 3 405.417 3.658 20 0 HHADHM O=S(=O)([N-]CCC1CCN(CC(F)(F)F)CC1)c1cc(Cl)ccc1Cl ZINC000484792439 997143280 /nfs/dbraw/zinc/14/32/80/997143280.db2.gz YNPBIHFHQUZENN-UHFFFAOYSA-N -1 3 419.296 3.936 20 0 HHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O ZINC000476758116 997314801 /nfs/dbraw/zinc/31/48/01/997314801.db2.gz FTEMQAYBLGBRBM-UHFFFAOYSA-N -1 3 424.823 3.561 20 0 HHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O ZINC000476758116 997314813 /nfs/dbraw/zinc/31/48/13/997314813.db2.gz FTEMQAYBLGBRBM-UHFFFAOYSA-N -1 3 424.823 3.561 20 0 HHADHM C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC000484953768 997331218 /nfs/dbraw/zinc/33/12/18/997331218.db2.gz CDAXYOHKLZUBKT-PIGZYNQJSA-N -1 3 402.372 3.812 20 0 HHADHM CCC[C@H](NC(=O)Cc1ccccc1)C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485104334 997483218 /nfs/dbraw/zinc/48/32/18/997483218.db2.gz ZVCGDJRXHYYEKQ-KRWDZBQOSA-N -1 3 417.469 3.684 20 0 HHADHM COCCOc1cc(OC)ccc1C(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1 ZINC000485109073 997490310 /nfs/dbraw/zinc/49/03/10/997490310.db2.gz OUALAOOLWOWQHI-UHFFFAOYSA-N -1 3 408.414 3.504 20 0 HHADHM COCCOc1cc(OC)ccc1C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485109073 997490319 /nfs/dbraw/zinc/49/03/19/997490319.db2.gz OUALAOOLWOWQHI-UHFFFAOYSA-N -1 3 408.414 3.504 20 0 HHADHM CCc1nc(C(=O)[N-]c2ccc(F)c(C(=O)OC)c2F)nn1-c1ccccc1Cl ZINC000485170328 997551547 /nfs/dbraw/zinc/55/15/47/997551547.db2.gz ZFRSECCSDHFSMF-UHFFFAOYSA-N -1 3 420.803 3.800 20 0 HHADHM CC[C@H](NC(=O)NCc1ccc([O-])c(Br)c1)c1ccc2c(c1)OCCO2 ZINC000485182641 997562233 /nfs/dbraw/zinc/56/22/33/997562233.db2.gz JGXKMKVKXKTPKQ-HNNXBMFYSA-N -1 3 421.291 3.876 20 0 HHADHM O=C(CCc1c2cc(F)ccc2[nH]c1-c1ccccc1)N1CCc2nc[n-]c(=O)c2C1 ZINC000476971688 997590821 /nfs/dbraw/zinc/59/08/21/997590821.db2.gz PIRGSYOALKQWNB-UHFFFAOYSA-N -1 3 416.456 3.987 20 0 HHADHM Cc1ccc(C(=O)NCC(F)(F)F)cc1[N-]S(=O)(=O)c1c(C)cc(F)cc1C ZINC000485394533 997822491 /nfs/dbraw/zinc/82/24/91/997822491.db2.gz XGCXEJNCDQNMIE-UHFFFAOYSA-N -1 3 418.412 3.844 20 0 HHADHM O=S(=O)([N-]c1cc(F)c(F)cc1Cl)c1ccc(OCC(F)(F)F)nc1 ZINC000477184799 997854384 /nfs/dbraw/zinc/85/43/84/997854384.db2.gz DCRMRAZTDQDOTP-UHFFFAOYSA-N -1 3 402.728 3.755 20 0 HHADHM CCc1cc(=O)[n-]c(CS[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)n1 ZINC000477348688 998036737 /nfs/dbraw/zinc/03/67/37/998036737.db2.gz IZVWJYIUKNNLCN-HNNXBMFYSA-N -1 3 409.458 3.775 20 0 HHADHM CCc1cc(=O)[n-]c(CSCC(=O)N[C@@H](C)c2ccc(Br)cc2)n1 ZINC000477350852 998039390 /nfs/dbraw/zinc/03/93/90/998039390.db2.gz NCXZJCCOONRFTJ-NSHDSACASA-N -1 3 410.337 3.618 20 0 HHADHM CCc1cc(=O)[n-]c(CSCC(=O)NCCc2cccc(Cl)c2Cl)n1 ZINC000477360091 998047992 /nfs/dbraw/zinc/04/79/92/998047992.db2.gz FTZFWYUEMOIXQL-UHFFFAOYSA-N -1 3 400.331 3.644 20 0 HHADHM C[C@@H](CC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccc(F)c(Br)c1 ZINC000485647953 998092956 /nfs/dbraw/zinc/09/29/56/998092956.db2.gz YHGXFVPNZFBIID-JTQLQIEISA-N -1 3 404.243 3.901 20 0 HHADHM C[C@@H](CC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccc(F)c(Br)c1 ZINC000485647953 998092971 /nfs/dbraw/zinc/09/29/71/998092971.db2.gz YHGXFVPNZFBIID-JTQLQIEISA-N -1 3 404.243 3.901 20 0 HHADHM C[C@H]1Cc2ccccc2N1Cc1occc1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000485775753 998250275 /nfs/dbraw/zinc/25/02/75/998250275.db2.gz VZVDHQAZKPVKEQ-AWEZNQCLSA-N -1 3 400.442 3.663 20 0 HHADHM C[C@H]1Cc2ccccc2N1Cc1occc1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000485775753 998250282 /nfs/dbraw/zinc/25/02/82/998250282.db2.gz VZVDHQAZKPVKEQ-AWEZNQCLSA-N -1 3 400.442 3.663 20 0 HHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NC1(c2ccc(F)cc2F)CCC1 ZINC000477566835 998284869 /nfs/dbraw/zinc/28/48/69/998284869.db2.gz GZFUZOAGPRHWJY-UHFFFAOYSA-N -1 3 410.424 3.569 20 0 HHADHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@H](CC(F)(F)F)c1ccccc1 ZINC000485935166 998381838 /nfs/dbraw/zinc/38/18/38/998381838.db2.gz AKYKOUJUSZZTPB-GFCCVEGCSA-N -1 3 405.394 3.601 20 0 HHADHM COc1cc(C(=O)NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc(OC)c1[O-] ZINC000485968837 998409479 /nfs/dbraw/zinc/40/94/79/998409479.db2.gz UFPPQKDSTDIWJL-UHFFFAOYSA-N -1 3 421.375 3.544 20 0 HHADHM CC(=O)Nc1cc(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)C(F)(F)F)ccc1F ZINC000485991975 998434768 /nfs/dbraw/zinc/43/47/68/998434768.db2.gz FPGAEOMSEPTESQ-HNNXBMFYSA-N -1 3 408.348 3.505 20 0 HHADHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1nc(Cc2cccc(Br)c2)no1 ZINC000477827661 998583361 /nfs/dbraw/zinc/58/33/61/998583361.db2.gz GLRYKJSWHZOGMC-BPUTZDHNSA-N -1 3 420.307 3.641 20 0 HHADHM C[C@@H](O)C[C@@H](CNC(=O)NCc1ccc([O-])c(Br)c1)c1ccccc1 ZINC000486235757 998667172 /nfs/dbraw/zinc/66/71/72/998667172.db2.gz WSOCEVXPGRAUJR-CJNGLKHVSA-N -1 3 407.308 3.509 20 0 HHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)Cc3ccc(F)cc3Br)cc2)n1 ZINC000486250838 998675554 /nfs/dbraw/zinc/67/55/54/998675554.db2.gz CJONYCLLJMPPBS-UHFFFAOYSA-N -1 3 416.250 3.828 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H]3CCC(C)(C)O3)ccc2C)cc1 ZINC000486340069 998719599 /nfs/dbraw/zinc/71/95/99/998719599.db2.gz HNSAJINYUWJFFR-SFHVURJKSA-N -1 3 418.515 3.701 20 0 HHADHM C[C@@H](Cc1ccccc1)C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000486364327 998729604 /nfs/dbraw/zinc/72/96/04/998729604.db2.gz JFKFTHSQVWHWQJ-LBPRGKRZSA-N -1 3 400.422 3.894 20 0 HHADHM Cc1noc(-c2ccccc2)c1NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000478085019 998753825 /nfs/dbraw/zinc/75/38/25/998753825.db2.gz LPBGBVAGQMYIBJ-UHFFFAOYSA-N -1 3 415.453 3.675 20 0 HHADHM CN(Cc1ccc(Br)o1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000486429416 998763336 /nfs/dbraw/zinc/76/33/36/998763336.db2.gz NGWIMPWIAQFRPZ-UHFFFAOYSA-N -1 3 418.085 3.852 20 0 HHADHM O=C(NC1(c2noc([C@@H]3CCOC3)n2)CCCCCC1)c1cc([O-])ccc1Cl ZINC000486525875 998807854 /nfs/dbraw/zinc/80/78/54/998807854.db2.gz KGAZTVXVPOAENU-CYBMUJFWSA-N -1 3 405.882 3.912 20 0 HHADHM O=C(NC1(c2noc([C@H]3CCOC3)n2)CCCCCC1)c1cc([O-])ccc1Cl ZINC000486525878 998807931 /nfs/dbraw/zinc/80/79/31/998807931.db2.gz KGAZTVXVPOAENU-ZDUSSCGKSA-N -1 3 405.882 3.912 20 0 HHADHM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(F)cc(Br)c2F)cc1 ZINC000486564086 998828363 /nfs/dbraw/zinc/82/83/63/998828363.db2.gz QAPSQJYNJBIZMA-UHFFFAOYSA-N -1 3 419.247 3.877 20 0 HHADHM Cc1cccc(OC(F)F)c1NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000486639711 998870408 /nfs/dbraw/zinc/87/04/08/998870408.db2.gz MKWLZDXAOLGBPB-UHFFFAOYSA-N -1 3 400.385 3.644 20 0 HHADHM Cn1cc([C@@H](NCc2nc3c4ccccc4oc3c(=O)[n-]2)c2ccc(F)cc2)cn1 ZINC000478316970 998883473 /nfs/dbraw/zinc/88/34/73/998883473.db2.gz YNLAAMFCVCAOPV-IBGZPJMESA-N -1 3 403.417 3.833 20 0 HHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3c(F)cccc3Br)cc2)n1 ZINC000486666485 998883953 /nfs/dbraw/zinc/88/39/53/998883953.db2.gz NKPMDEVSWDSWPV-UHFFFAOYSA-N -1 3 402.223 3.899 20 0 HHADHM O=C(N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F)c1cc(=O)c2ccccc2[n-]1 ZINC000478480969 998985004 /nfs/dbraw/zinc/98/50/04/998985004.db2.gz YNJGCDPOBKRMPW-MRXNPFEDSA-N -1 3 410.779 3.664 20 0 HHADHM Cc1nc(C)c(CCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(F)cc2)c(=O)[n-]1 ZINC000478591866 999038033 /nfs/dbraw/zinc/03/80/33/999038033.db2.gz QYEOIZZDBATKGX-UHFFFAOYSA-N -1 3 411.481 3.993 20 0 HHADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(CS(=O)(=O)C(C)(C)C)c2)cc1 ZINC000487262389 999116731 /nfs/dbraw/zinc/11/67/31/999116731.db2.gz BNPSMMDPIUSEGJ-UHFFFAOYSA-N -1 3 411.545 3.599 20 0 HHADHM Cc1cc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)cc(C)c1O ZINC000478817661 999156515 /nfs/dbraw/zinc/15/65/15/999156515.db2.gz WTWRABASRVMDNL-UHFFFAOYSA-N -1 3 403.435 3.529 20 0 HHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)Nc1ccc(N2CCCCC2)c2ncccc12 ZINC000478891116 999197050 /nfs/dbraw/zinc/19/70/50/999197050.db2.gz YXONASQZYYZGBU-UHFFFAOYSA-N -1 3 415.453 3.753 20 0 HHADHM CC[C@@H](O)CCNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000478911057 999206165 /nfs/dbraw/zinc/20/61/65/999206165.db2.gz SZPPDZPTJDRFPN-LJQANCHMSA-N -1 3 418.559 3.612 20 0 HHADHM CCOC(=O)c1cc(C(C)(C)C)sc1NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000487542428 999210876 /nfs/dbraw/zinc/21/08/76/999210876.db2.gz NRJGGMXIHCJCNY-UHFFFAOYSA-N -1 3 405.520 3.906 20 0 HHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc([C@@H](C)N3CCOCC3)cc2)c(C)c1 ZINC000479310133 999378153 /nfs/dbraw/zinc/37/81/53/999378153.db2.gz IYXZJIFDBCKFCT-QGZVFWFLSA-N -1 3 404.532 3.588 20 0 HHADHM C[C@@H](CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)C(F)(F)F ZINC000479374350 999409900 /nfs/dbraw/zinc/40/99/00/999409900.db2.gz WTUWHKBMKOUCEE-NSHDSACASA-N -1 3 404.385 3.555 20 0 HHADHM Cc1ccc(-c2nc(NC(=O)c3cnn(-c4cccc(Br)c4)c3)n[n-]2)o1 ZINC000479453511 999424635 /nfs/dbraw/zinc/42/46/35/999424635.db2.gz NMXYOQHIMNOQTM-UHFFFAOYSA-N -1 3 413.235 3.574 20 0 HHADHM Cc1ccc(-c2nc(NC(=O)[C@@H](C)Oc3ccc(F)cc3Br)n[n-]2)o1 ZINC000479461622 999427648 /nfs/dbraw/zinc/42/76/48/999427648.db2.gz CZQFLAGVHKWJPW-SECBINFHSA-N -1 3 409.215 3.681 20 0 HHADHM Cc1ccc(-c2nc(NC(=O)[C@H](C)Oc3ccc(F)cc3Br)n[n-]2)o1 ZINC000479461623 999427778 /nfs/dbraw/zinc/42/77/78/999427778.db2.gz CZQFLAGVHKWJPW-VIFPVBQESA-N -1 3 409.215 3.681 20 0 HHADHM Cc1ccc(-c2nc(NC(=O)c3cccc(I)c3C)n[n-]2)o1 ZINC000479461326 999427793 /nfs/dbraw/zinc/42/77/93/999427793.db2.gz BQIQMWFEHADYPN-UHFFFAOYSA-N -1 3 408.199 3.538 20 0 HHADHM Cc1ccc(-c2nc(NC(=O)CNC(=O)c3sc4ccccc4c3Cl)n[n-]2)o1 ZINC000479464920 999429128 /nfs/dbraw/zinc/42/91/28/999429128.db2.gz PZEFXLDYXVEGJY-UHFFFAOYSA-N -1 3 415.862 3.610 20 0 HHADHM Cc1ccc(-c2nc(NC(=O)CCc3c(C)nc4c5ccccc5nn4c3C)n[n-]2)o1 ZINC000479465503 999429153 /nfs/dbraw/zinc/42/91/53/999429153.db2.gz RSJLVEDRFJJNHI-UHFFFAOYSA-N -1 3 415.457 3.757 20 0 HHADHM CCOC(=O)CSc1nnc([N-]C(=O)c2scc(C)c2Br)s1 ZINC000488378057 999465369 /nfs/dbraw/zinc/46/53/69/999465369.db2.gz JBSXWVJYSRQHDP-UHFFFAOYSA-N -1 3 422.351 3.578 20 0 HHADHM O=C1CCc2cc([N-]S(=O)(=O)c3ccc4c(c3)CCCO4)ccc2N1CC1CC1 ZINC000479581190 999489056 /nfs/dbraw/zinc/48/90/56/999489056.db2.gz QYFMAMZGCCOZDV-UHFFFAOYSA-N -1 3 412.511 3.502 20 0 HHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N(C)Cc3ccc(F)c(F)c3)nc(=O)c2c1C ZINC000488499014 999508602 /nfs/dbraw/zinc/50/86/02/999508602.db2.gz XYGBFCUHLYAYSS-NSHDSACASA-N -1 3 421.469 3.941 20 0 HHADHM Cc1cc(=O)[n-]c([C@H](C)Sc2nnc(N3CCC[C@@H](C)C3)n2Cc2ccco2)n1 ZINC000488598157 999541106 /nfs/dbraw/zinc/54/11/06/999541106.db2.gz GLCJUQJOPNCXPC-HIFRSBDPSA-N -1 3 414.535 3.813 20 0 HHADHM CC(C)(C)c1noc2ncc(C(=O)NCc3ccc([O-])c(Br)c3)cc21 ZINC000488655193 999560388 /nfs/dbraw/zinc/56/03/88/999560388.db2.gz IREBCRRJWGQVRR-UHFFFAOYSA-N -1 3 404.264 3.918 20 0 HHADHM COc1cccc(Cl)c1-c1noc(C)c1C(=O)[N-]c1n[nH]c(-c2ccccn2)n1 ZINC000479734643 999562627 /nfs/dbraw/zinc/56/26/27/999562627.db2.gz KQFCQQFUEWGOEW-UHFFFAOYSA-N -1 3 410.821 3.744 20 0 HHADHM CC[C@](C)(O)CNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000479735202 999563053 /nfs/dbraw/zinc/56/30/53/999563053.db2.gz NBLYIDFEOZPHSN-QFIPXVFZSA-N -1 3 418.559 3.612 20 0 HHADHM Cc1c(Cl)cccc1NC(=O)CC[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000488675746 999567897 /nfs/dbraw/zinc/56/78/97/999567897.db2.gz UOJIUCVDGZSCEN-UHFFFAOYSA-N -1 3 405.278 3.748 20 0 HHADHM CC(C)(C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1ccc2c(c1)OCO2 ZINC000488761710 999599374 /nfs/dbraw/zinc/59/93/74/999599374.db2.gz NPCYTPZRLVPSRX-UHFFFAOYSA-N -1 3 419.396 3.829 20 0 HHADHM CO[C@@H](c1ccccc1Cl)[C@H](C)[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000479913886 999646666 /nfs/dbraw/zinc/64/66/66/999646666.db2.gz IJBDSLLJPQLSAQ-ZUZCIYMTSA-N -1 3 419.728 3.552 20 0 HHADHM O=C(N[C@@H]1CCCC(F)(F)C1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000488952465 999655891 /nfs/dbraw/zinc/65/58/91/999655891.db2.gz LFODQMFBEVONMD-CQSZACIVSA-N -1 3 412.433 3.934 20 0 HHADHM COc1ccc(F)cc1[C@H](C)[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000488972821 999661189 /nfs/dbraw/zinc/66/11/89/999661189.db2.gz LKDNMBQNGPNIDH-QMMMGPOBSA-N -1 3 424.238 3.915 20 0 HHADHM O=S(=O)([N-]CC1(c2ccccc2)CCOCC1)c1ccc(F)cc1C(F)(F)F ZINC000488972948 999661209 /nfs/dbraw/zinc/66/12/09/999661209.db2.gz OYTGPXYIRMQELR-UHFFFAOYSA-N -1 3 417.424 3.871 20 0 HHADHM COC(=O)c1cc(C)nc2nc(SCc3ccccc3OC(F)F)[n-]c(=O)c21 ZINC000489019731 999673934 /nfs/dbraw/zinc/67/39/34/999673934.db2.gz YUKGFCZXYMQCNY-UHFFFAOYSA-N -1 3 407.398 3.719 20 0 HHADHM CC(=O)Nc1cc(S(=O)(=O)[N-][C@@H](CCc2ccccc2)C(F)(F)F)ccc1F ZINC000480048122 999701053 /nfs/dbraw/zinc/70/10/53/999701053.db2.gz BUIISVGPFIKBFK-KRWDZBQOSA-N -1 3 418.412 3.626 20 0 HHADHM COCCOc1ccc([N-]S(=O)(=O)c2cc(Br)c(F)cc2C)cc1 ZINC000480220176 999748814 /nfs/dbraw/zinc/74/88/14/999748814.db2.gz DXEIQKQCEHSPDJ-UHFFFAOYSA-N -1 3 418.284 3.723 20 0 HHADHM CCC[C@H](C)[C@@H]1CCCN1C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000489331978 999747004 /nfs/dbraw/zinc/74/70/04/999747004.db2.gz OOEHDUMKJYWFOL-LIRRHRJNSA-N -1 3 407.511 3.995 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N1CCSC[C@H](C)C1 ZINC000489481238 999775720 /nfs/dbraw/zinc/77/57/20/999775720.db2.gz BPFRGOJDPSDSLP-CQSZACIVSA-N -1 3 422.547 3.760 20 0 HHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(CN2CCCC2)ccc1C ZINC000489529266 999785354 /nfs/dbraw/zinc/78/53/54/999785354.db2.gz JLZWWONSVNSGKT-UHFFFAOYSA-N -1 3 422.934 3.832 20 0 HHADHM Cc1ccc(NC(=O)c2cccc3cn[nH]c32)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000480404646 999791051 /nfs/dbraw/zinc/79/10/51/999791051.db2.gz LVPIAQKZAHLYOV-UHFFFAOYSA-N -1 3 406.467 3.924 20 0 HHADHM O=S(=O)([N-]Cc1coc(-c2ccccc2)n1)c1cccc(OC(F)(F)F)c1F ZINC000489564038 999792983 /nfs/dbraw/zinc/79/29/83/999792983.db2.gz NRMLPAGCUMIGAI-UHFFFAOYSA-N -1 3 416.352 3.858 20 0 HHADHM O=S(=O)([N-][C@@H](c1ccccc1)[C@@H]1CCOC1)c1cccc(OC(F)(F)F)c1F ZINC000489698741 999819769 /nfs/dbraw/zinc/81/97/69/999819769.db2.gz FXVSEVHNXISXMN-DYVFJYSZSA-N -1 3 419.396 3.780 20 0 HHADHM O=S(=O)([N-][C@@H]1CCOC2(CCCCC2)C1)c1cccc(OC(F)(F)F)c1F ZINC000489720834 999824353 /nfs/dbraw/zinc/82/43/53/999824353.db2.gz PBHIXZOUVYFKQT-GFCCVEGCSA-N -1 3 411.417 3.885 20 0 HHADHM O=S(=O)([N-]Cc1ccc2ncccc2c1)c1cccc(OC(F)(F)F)c1F ZINC000489801523 999840838 /nfs/dbraw/zinc/84/08/38/999840838.db2.gz APEQMVMZLKDXIM-UHFFFAOYSA-N -1 3 400.353 3.751 20 0 HHADHM COC(=O)c1sc2[n-]c(CN3C[C@H](c4ccc(C)cc4)C[C@@H]3C)nc(=O)c2c1C ZINC000490087695 999891019 /nfs/dbraw/zinc/89/10/19/999891019.db2.gz ZUTHYZBXEBYKOH-XJKSGUPXSA-N -1 3 411.527 3.766 20 0 HHADHM Cc1nc(S(=O)(=O)CC(=O)N[C@H](c2ccccc2)C(C)C)[n-]c1-c1ccccc1 ZINC000490410266 999953300 /nfs/dbraw/zinc/95/33/00/999953300.db2.gz GKRAHMKGIHJRHC-FQEVSTJZSA-N -1 3 411.527 3.672 20 0 HHADHM Cc1[n-]c(S(=O)(=O)CC(=O)N[C@H](c2ccccc2)C(C)C)nc1-c1ccccc1 ZINC000490410266 999953301 /nfs/dbraw/zinc/95/33/01/999953301.db2.gz GKRAHMKGIHJRHC-FQEVSTJZSA-N -1 3 411.527 3.672 20 0 HHADHM Cc1nc(S(=O)(=O)Cc2nc(-c3ccc(F)c(C)c3)no2)[n-]c1-c1ccccc1 ZINC000490417330 999954217 /nfs/dbraw/zinc/95/42/17/999954217.db2.gz LMXPEPHUXUIDDQ-UHFFFAOYSA-N -1 3 412.446 3.857 20 0 HHADHM Cc1[n-]c(S(=O)(=O)Cc2nc(-c3ccc(F)c(C)c3)no2)nc1-c1ccccc1 ZINC000490417330 999954218 /nfs/dbraw/zinc/95/42/18/999954218.db2.gz LMXPEPHUXUIDDQ-UHFFFAOYSA-N -1 3 412.446 3.857 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H]2CCN(c3ccccc3F)C2)s1 ZINC000490424090 999955597 /nfs/dbraw/zinc/95/55/97/999955597.db2.gz YJSVEEXWDMCZCZ-NSHDSACASA-N -1 3 419.341 3.515 20 0 HHADHM Cc1nc(S(=O)(=O)[C@@H](C(=O)N2CCCCC2)c2ccccc2)[n-]c1-c1ccccc1 ZINC000490438951 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20 0 HHADHM COC(=O)c1cccc([N-]S(=O)(=O)c2cccc(C)c2Cl)c1Br ZINC000491571249 1000084448 /nfs/dbraw/zinc/08/44/48/1000084448.db2.gz BLIHOFRMABTFME-UHFFFAOYSA-N -1 3 418.696 3.998 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)NC[C@@H]1CCC(C)(C)O1 ZINC000492914731 1000149615 /nfs/dbraw/zinc/14/96/15/1000149615.db2.gz VKUOKYQJAVWHKX-HNNXBMFYSA-N -1 3 420.506 3.622 20 0 HHADHM CCN(CCNC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)CCC(F)(F)F ZINC000492935145 1000149791 /nfs/dbraw/zinc/14/97/91/1000149791.db2.gz CSUMWGILRGADRD-UHFFFAOYSA-N -1 3 411.428 3.553 20 0 HHADHM O=S(=O)([N-]CCOCc1ccccc1)c1cccc(Cl)c1Br ZINC000493870237 1000199423 /nfs/dbraw/zinc/19/94/23/1000199423.db2.gz DIMRVSOLCWFBDH-UHFFFAOYSA-N -1 3 404.713 3.598 20 0 HHADHM Cc1ccnc([C@@H]([N-]S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)C2CC2)n1 ZINC000493898460 1000204746 /nfs/dbraw/zinc/20/47/46/1000204746.db2.gz WPHDDJOJCGQOIR-AWEZNQCLSA-N -1 3 405.829 3.887 20 0 HHADHM Cc1cc(-c2nc3cc(Br)c(F)cc3c(=O)[n-]2)ccc1-n1cncn1 ZINC000504466509 1000220883 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Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)Nc1cc(Cl)ccc1[O-] ZINC000063803316 966964287 /nfs/dbraw/zinc/96/42/87/966964287.db2.gz QLZDGVRFEUGOAP-UHFFFAOYSA-N -1 3 413.787 3.690 20 0 HHADHM CCN1CCN(c2ccc(NC(=O)c3ccc4c(c3)[n-]c(=S)[nH]c4=O)c(C)c2)CC1 ZINC000063809152 966965604 /nfs/dbraw/zinc/96/56/04/966965604.db2.gz RJMNZPKSMQRODA-UHFFFAOYSA-N -1 3 423.542 3.701 20 0 HHADHM O=C(OCc1cc(Br)ccc1F)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000063971843 967013436 /nfs/dbraw/zinc/01/34/36/967013436.db2.gz QKKBCQISHBDCSY-INIZCTEOSA-N -1 3 422.250 3.642 20 0 HHADHM CCN(CC)Cc1ccc(C(=O)[N-]NC(=O)c2cc3c(ccc4ccccc34)[nH]2)o1 ZINC000064048413 967034557 /nfs/dbraw/zinc/03/45/57/967034557.db2.gz FRRFVQXMLRRFEV-UHFFFAOYSA-N -1 3 404.470 3.831 20 0 HHADHM CCOC(=O)c1cc(NC(=O)c2cc(-c3cc(C)oc3C)nc3onc(C)c32)[n-]n1 ZINC000542833728 1013697315 /nfs/dbraw/zinc/69/73/15/1013697315.db2.gz IRWWMFXJCITHFW-UHFFFAOYSA-N -1 3 409.402 3.560 20 0 HHADHM CCOC(=O)c1cc(NC(=O)c2cc(-c3cc(C)oc3C)nc3onc(C)c32)n[n-]1 ZINC000542833728 1013697319 /nfs/dbraw/zinc/69/73/19/1013697319.db2.gz IRWWMFXJCITHFW-UHFFFAOYSA-N -1 3 409.402 3.560 20 0 HHADHM O=c1[n-]c(SCc2cn3cc(Cl)ccc3n2)nc2c1cnn2-c1ccccc1 ZINC000043925953 967075628 /nfs/dbraw/zinc/07/56/28/967075628.db2.gz YFHBSBBNORDRBF-UHFFFAOYSA-N -1 3 408.874 3.702 20 0 HHADHM COc1cc2c(cc1OC)C(=N[N-]c1nc(Cl)c(Cl)cc1Cl)C(=O)N2 ZINC000043928688 967076788 /nfs/dbraw/zinc/07/67/88/967076788.db2.gz AEZHXDVPUOKALQ-UHFFFAOYSA-N -1 3 401.637 3.827 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cccc4c[nH]nc43)cc2)cc1 ZINC000044000745 967091396 /nfs/dbraw/zinc/09/13/96/967091396.db2.gz RXANAVNLJZOCKC-UHFFFAOYSA-N -1 3 406.467 3.924 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cccc4cn[nH]c43)cc2)cc1 ZINC000044000745 967091414 /nfs/dbraw/zinc/09/14/14/967091414.db2.gz RXANAVNLJZOCKC-UHFFFAOYSA-N -1 3 406.467 3.924 20 0 HHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cnn(-c4ccc(Cl)cc4)c3)cc2)n1 ZINC000064374094 967159139 /nfs/dbraw/zinc/15/91/39/967159139.db2.gz TXXPIKQXDOYCAX-UHFFFAOYSA-N -1 3 405.845 3.837 20 0 HHADHM CCn1c2ccccc2nc1SCC(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000064374459 967159675 /nfs/dbraw/zinc/15/96/75/967159675.db2.gz MIBWURFDJOXDGF-UHFFFAOYSA-N -1 3 419.510 3.846 20 0 HHADHM N#Cc1ccccc1NC(=S)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000044232639 967170284 /nfs/dbraw/zinc/17/02/84/967170284.db2.gz SKEPAHNNWOBHII-UHFFFAOYSA-N -1 3 414.918 3.965 20 0 HHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=S)NCc2ccccc2)CC1 ZINC000044232602 967170386 /nfs/dbraw/zinc/17/03/86/967170386.db2.gz WWTNPILAIJAWGO-UHFFFAOYSA-N -1 3 403.935 3.771 20 0 HHADHM CC(C)CCOc1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)c1 ZINC000064424786 967183749 /nfs/dbraw/zinc/18/37/49/967183749.db2.gz OEHYLKSWIWXABU-UHFFFAOYSA-N -1 3 420.506 3.944 20 0 HHADHM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)cc2)cc1 ZINC000064475197 967202054 /nfs/dbraw/zinc/20/20/54/967202054.db2.gz SISHJEDLQFFELP-UHFFFAOYSA-N -1 3 402.394 3.777 20 0 HHADHM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ncccn3)cc2C)cc1 ZINC000064477347 967204695 /nfs/dbraw/zinc/20/46/95/967204695.db2.gz COQVDOCTQWIUID-UHFFFAOYSA-N -1 3 412.471 3.727 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)COC3CCCC3)ccc2C)cc1 ZINC000044847457 967301573 /nfs/dbraw/zinc/30/15/73/967301573.db2.gz CUSKMVQYIJOJCZ-UHFFFAOYSA-N -1 3 418.515 3.702 20 0 HHADHM O=C(NC1(c2ccc(F)cc2)CCCC1)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000064850732 967310698 /nfs/dbraw/zinc/31/06/98/967310698.db2.gz AEHPBHJQJUXVCG-UHFFFAOYSA-N -1 3 420.481 3.605 20 0 HHADHM Cc1ccc([C@H](CNC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)N(C)C)cc1 ZINC000065466703 967481188 /nfs/dbraw/zinc/48/11/88/967481188.db2.gz GJEVLOMAVGSPKR-QFIPXVFZSA-N -1 3 409.530 3.608 20 0 HHADHM CC(C)c1cccc(O[C@H](C)C(=O)N[N-]C(=O)c2ccccc2Br)c1 ZINC000045583896 967502706 /nfs/dbraw/zinc/50/27/06/967502706.db2.gz FVVWYOHVOLHTPN-CYBMUJFWSA-N -1 3 405.292 3.801 20 0 HHADHM CC(=O)Nc1ccc([O-])c(C(=O)NCC(C)(C)c2ccc(Br)cc2)c1 ZINC000065643088 967549976 /nfs/dbraw/zinc/54/99/76/967549976.db2.gz XPRXVXKIIXKZRD-UHFFFAOYSA-N -1 3 405.292 3.821 20 0 HHADHM COc1cc(CNC(=O)N[N-]C(=O)c2ccccc2Cl)ccc1OCCC(C)C ZINC000045891780 967588717 /nfs/dbraw/zinc/58/87/17/967588717.db2.gz VFBXAZMDBXFVCD-UHFFFAOYSA-N -1 3 419.909 3.918 20 0 HHADHM C[C@H](c1ccccc1F)N(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000045919089 967593982 /nfs/dbraw/zinc/59/39/82/967593982.db2.gz STDSSULCFXJTHV-CYBMUJFWSA-N -1 3 410.486 3.875 20 0 HHADHM O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1c[n-]c2ccccc2c1=O ZINC000046016998 967637026 /nfs/dbraw/zinc/63/70/26/967637026.db2.gz XHFJHIDMRZXGLV-UHFFFAOYSA-N -1 3 416.506 3.795 20 0 HHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(C)Cc2c(F)cccc2Cl)ccc1F ZINC000046143142 967676137 /nfs/dbraw/zinc/67/61/37/967676137.db2.gz WMGNSHPQQMYDRA-UHFFFAOYSA-N -1 3 416.877 3.577 20 0 HHADHM O=C(OCc1c(Cl)ccc2cccnc21)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000046332539 967744825 /nfs/dbraw/zinc/74/48/25/967744825.db2.gz TXMFOEFNVYWNMZ-SFHVURJKSA-N -1 3 410.857 3.942 20 0 HHADHM COc1cc[n-]c(=NNC(=O)c2cc(-c3ccc(C)cc3)nc3c2cnn3C(C)C)n1 ZINC000046364629 967765983 /nfs/dbraw/zinc/76/59/83/967765983.db2.gz BESXZWRFAKMNKI-UHFFFAOYSA-N -1 3 417.473 3.543 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)OCC(=O)c1ccccc1 ZINC000046451818 967806841 /nfs/dbraw/zinc/80/68/41/967806841.db2.gz UBVDNZFDKCKVCK-NRFANRHFSA-N -1 3 403.434 3.680 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)OCC(=O)c1ccccc1 ZINC000046451817 967807387 /nfs/dbraw/zinc/80/73/87/967807387.db2.gz UBVDNZFDKCKVCK-OAQYLSRUSA-N -1 3 403.434 3.680 20 0 HHADHM C[C@H]1CCc2c(sc3[n-]c(CS(=O)(=O)c4ccc(Cl)cc4)nc(=O)c23)C1 ZINC000046702898 967928914 /nfs/dbraw/zinc/92/89/14/967928914.db2.gz LXNIFDGDEKEWQZ-JTQLQIEISA-N -1 3 408.932 3.737 20 0 HHADHM COCCOc1cccc(CNC(=O)NN=c2[n-]c(Cl)c(Cl)cc2Cl)c1 ZINC000046845521 967988647 /nfs/dbraw/zinc/98/86/47/967988647.db2.gz OCGFSAJYUTXFIT-UHFFFAOYSA-N -1 3 419.696 3.893 20 0 HHADHM COc1cccc(NC(=O)c2cc(S(=O)(=O)[N-]C3CC3)c(Cl)cc2Cl)c1 ZINC000047156520 968069038 /nfs/dbraw/zinc/06/90/38/968069038.db2.gz XVSRNPWDUIXALY-UHFFFAOYSA-N -1 3 415.298 3.695 20 0 HHADHM CC[C@@H](CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)c1ccccc1 ZINC000047271184 968113722 /nfs/dbraw/zinc/11/37/22/968113722.db2.gz AXZWOZDJRNYSLC-HNNXBMFYSA-N -1 3 415.490 3.878 20 0 HHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000047318217 968136933 /nfs/dbraw/zinc/13/69/33/968136933.db2.gz GFVZRZAPMCZSAX-UHFFFAOYSA-N -1 3 417.849 3.657 20 0 HHADHM Cc1cc2cc(NC(=O)CS(=O)(=O)[N-]c3ccc(OC(C)C)cc3)ccc2[nH]1 ZINC000048249752 968500186 /nfs/dbraw/zinc/50/01/86/968500186.db2.gz BDJGUUUIEFJVCM-UHFFFAOYSA-N -1 3 401.488 3.644 20 0 HHADHM C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000048281870 968510712 /nfs/dbraw/zinc/51/07/12/968510712.db2.gz MWWSODOJJVCUSF-ZDUSSCGKSA-N -1 3 419.453 3.927 20 0 HHADHM O=S(=O)([N-]c1cc(Cl)ccc1F)c1ccc(I)cc1 ZINC000048430210 968552198 /nfs/dbraw/zinc/55/21/98/968552198.db2.gz AJMAOFVBJDASEP-UHFFFAOYSA-N -1 3 411.623 3.885 20 0 HHADHM O=S(=O)([N-][C@H]1CCN(Cc2ccccc2)C1)c1ccc(Cl)cc1C(F)(F)F ZINC000069093114 968814030 /nfs/dbraw/zinc/81/40/30/968814030.db2.gz DMAPABVBDAWUEI-HNNXBMFYSA-N -1 3 418.868 3.912 20 0 HHADHM O=c1[n-]nc(SCc2csc(Cc3ccc(Cl)cc3)n2)n1C[C@H]1CCCO1 ZINC000071891643 968882865 /nfs/dbraw/zinc/88/28/65/968882865.db2.gz FBTBTSMCYIAINK-OAHLLOKOSA-N -1 3 422.963 3.743 20 0 HHADHM CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(-n3ncc4ccccc43)cc2)c1 ZINC000538298039 1013833909 /nfs/dbraw/zinc/83/39/09/1013833909.db2.gz HTNSSTYMJUDYSR-UHFFFAOYSA-N -1 3 420.494 3.528 20 0 HHADHM C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000071957742 968908563 /nfs/dbraw/zinc/90/85/63/968908563.db2.gz QODKOWYNLHYFNF-RKVPGOIHSA-N -1 3 421.969 3.780 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cc3c(cc(C)cc3C)[nH]2)cc1OC ZINC000072005609 968927476 /nfs/dbraw/zinc/92/74/76/968927476.db2.gz QNPNWHIOVODZGV-UHFFFAOYSA-N -1 3 401.488 3.807 20 0 HHADHM CCOc1cccc([C@H]2C[C@@H]2NC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000538302918 1013836934 /nfs/dbraw/zinc/83/69/34/1013836934.db2.gz QRFQECZQXFSCJM-WBVHZDCISA-N -1 3 405.292 3.909 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H]3COc4ccccc43)cc2)cc1 ZINC000079094917 969030815 /nfs/dbraw/zinc/03/08/15/969030815.db2.gz RQSHKVJVOFSQSU-HXUWFJFHSA-N -1 3 408.479 3.911 20 0 HHADHM C[C@H](C[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl)N1CCCC1 ZINC000097173660 969099666 /nfs/dbraw/zinc/09/96/66/969099666.db2.gz DRMNUCRNRUXFDA-SECBINFHSA-N -1 3 416.168 3.519 20 0 HHADHM O=C(NCC1(c2ccccc2)CCCC1)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000105920243 969273634 /nfs/dbraw/zinc/27/36/34/969273634.db2.gz ASFOYAXFJAAUDS-UHFFFAOYSA-N -1 3 416.518 3.508 20 0 HHADHM O=C([N-]c1ccccc1S(=O)(=O)N1CCCCC1)c1cc(-c2ccccc2)no1 ZINC000108434732 969383007 /nfs/dbraw/zinc/38/30/07/969383007.db2.gz XNSIYFSQSJCXCZ-UHFFFAOYSA-N -1 3 411.483 3.769 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1OC ZINC000108539623 969391555 /nfs/dbraw/zinc/39/15/55/969391555.db2.gz KPHAAXJLMPLIFE-UHFFFAOYSA-N -1 3 401.488 3.509 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1OC ZINC000108546701 969392448 /nfs/dbraw/zinc/39/24/48/969392448.db2.gz QRCZORSWGTYATI-LBPRGKRZSA-N -1 3 412.895 3.516 20 0 HHADHM CCO[C@H](C)C(=O)Nc1ccc(OC)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000108978023 969443918 /nfs/dbraw/zinc/44/39/18/969443918.db2.gz HDESRCAEZVMVFP-GFCCVEGCSA-N -1 3 412.895 3.513 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@H](C)c2ccc(F)cc2F)cc1OC ZINC000109196683 969477219 /nfs/dbraw/zinc/47/72/19/969477219.db2.gz HMWJWDZSTHGDCV-LLVKDONJSA-N -1 3 413.446 3.618 20 0 HHADHM CCCCn1nccc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000110346692 969657095 /nfs/dbraw/zinc/65/70/95/969657095.db2.gz JSXKIEPPSQCKLO-UHFFFAOYSA-N -1 3 416.478 3.875 20 0 HHADHM COCCOc1ccc(S(=O)(=O)[N-]c2cccc(SC(=O)N(C)C)c2)cc1C ZINC000110900558 969738120 /nfs/dbraw/zinc/73/81/20/969738120.db2.gz GSZOKYKEOIKTNE-UHFFFAOYSA-N -1 3 424.544 3.595 20 0 HHADHM CCc1cc(=O)[n-]c(SCc2cccc(CSc3nc(CC)cc(=O)[nH]3)c2)n1 ZINC000111895660 969812367 /nfs/dbraw/zinc/81/23/67/969812367.db2.gz CXFZKKOAEUSKPG-UHFFFAOYSA-N -1 3 414.556 3.563 20 0 HHADHM Cc1ccccc1NC(=O)Cc1nc(COC(=O)c2cc(-c3ccco3)[n-]n2)cs1 ZINC000115646815 969845395 /nfs/dbraw/zinc/84/53/95/969845395.db2.gz DUFOBSRWKBBZFJ-UHFFFAOYSA-N -1 3 422.466 3.973 20 0 HHADHM Cc1ccccc1NC(=O)Cc1nc(COC(=O)c2cc(-c3ccco3)n[n-]2)cs1 ZINC000115646815 969845398 /nfs/dbraw/zinc/84/53/98/969845398.db2.gz DUFOBSRWKBBZFJ-UHFFFAOYSA-N -1 3 422.466 3.973 20 0 HHADHM Cc1ccc(C)c(OC2CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])CC2)c1 ZINC000115745091 969852202 /nfs/dbraw/zinc/85/22/02/969852202.db2.gz YZKKAIVVLGLODV-NRFANRHFSA-N -1 3 422.525 3.684 20 0 HHADHM Cc1ccc(S(=O)(=O)N(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccc([O-])cc2)s1 ZINC000138120036 969982977 /nfs/dbraw/zinc/98/29/77/969982977.db2.gz PDAUTBMXJHYAPZ-UHFFFAOYSA-N -1 3 418.452 3.706 20 0 HHADHM CCc1ccc([C@H]2CCN(C(=O)CCc3c(C)nc(-c4ccncc4)[n-]c3=O)C2)cc1 ZINC000554408745 1013937091 /nfs/dbraw/zinc/93/70/91/1013937091.db2.gz 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ZINC000146442223 970292502 /nfs/dbraw/zinc/29/25/02/970292502.db2.gz IJZKHUJXKGZLTD-UHFFFAOYSA-N -1 3 415.342 3.949 20 0 HHADHM Cc1ccc([O-])c(CN[C@@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)c(F)c2)n1 ZINC000237765645 970360956 /nfs/dbraw/zinc/36/09/56/970360956.db2.gz SCPSITZWRNBGOR-NRFANRHFSA-N -1 3 418.465 3.657 20 0 HHADHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1ccc(F)c(NC(C)=O)c1 ZINC000150089606 970425979 /nfs/dbraw/zinc/42/59/79/970425979.db2.gz ZJSNSXNYYBOCPX-CYBMUJFWSA-N -1 3 417.824 3.716 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC3(C)CCCC3)c2)cc1 ZINC000150179239 970432678 /nfs/dbraw/zinc/43/26/78/970432678.db2.gz VQJRCMUHWSWIED-UHFFFAOYSA-N -1 3 402.516 3.867 20 0 HHADHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(-c3nc4ccccc4[nH]3)cc2)c1 ZINC000261391682 970646648 /nfs/dbraw/zinc/64/66/48/970646648.db2.gz QVVRAEFEWFMTMU-UHFFFAOYSA-N -1 3 400.438 3.824 20 0 HHADHM COC(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(Cl)cc1Br ZINC000317878200 972658046 /nfs/dbraw/zinc/65/80/46/972658046.db2.gz GXWDTFKQYBUVND-UHFFFAOYSA-N -1 3 404.669 3.690 20 0 HHADHM Cc1cnc(Br)c([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)c1 ZINC000323710593 972714419 /nfs/dbraw/zinc/71/44/19/972714419.db2.gz KMCKBDRKIJKSQB-UHFFFAOYSA-N -1 3 411.199 3.852 20 0 HHADHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC(=O)Nc1ccc(Br)cc1Cl ZINC000325707359 972733933 /nfs/dbraw/zinc/73/39/33/972733933.db2.gz QPTAFCLLAHDBBO-LKTVYLICSA-N -1 3 415.715 3.759 20 0 HHADHM C[C@H](C[N-]S(=O)(=O)c1ccc(Br)s1)COCc1ccccc1 ZINC000390325036 972821975 /nfs/dbraw/zinc/82/19/75/972821975.db2.gz AZAVEESWFAIQTJ-GFCCVEGCSA-N -1 3 404.351 3.642 20 0 HHADHM CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)c(Br)c1 ZINC000392179310 972849330 /nfs/dbraw/zinc/84/93/30/972849330.db2.gz XWRTZTWPNZCTOS-UHFFFAOYSA-N -1 3 420.231 3.705 20 0 HHADHM Cc1nc(-c2ccc(N3CCC[C@H](c4ncc5n4CCCC5)C3)nc2)[n-]c(=O)c1C ZINC000409635608 973083592 /nfs/dbraw/zinc/08/35/92/973083592.db2.gz MUKPFEDOAAIXAC-SFHVURJKSA-N -1 3 404.518 3.778 20 0 HHADHM O=S(=O)([N-][C@H]1COc2cc(F)c(Br)cc21)c1ccc(Cl)s1 ZINC000409807786 973281237 /nfs/dbraw/zinc/28/12/37/973281237.db2.gz ATSROMDBQXGPIW-VIFPVBQESA-N -1 3 412.689 3.715 20 0 HHADHM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2cccc(-c3nc(C)cs3)c2)o1 ZINC000410160266 973650523 /nfs/dbraw/zinc/65/05/23/973650523.db2.gz DURYNMNQBUKJBV-KRWDZBQOSA-N -1 3 406.529 3.940 20 0 HHADHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2OC(F)F)c(Cl)c1Cl ZINC000410167411 973660874 /nfs/dbraw/zinc/66/08/74/973660874.db2.gz AISKTFBYIGVOIL-RKDXNWHRSA-N -1 3 404.262 3.831 20 0 HHADHM COc1cccc(Cc2nnc([N-]C(=O)c3nnn(-c4ccc(C)cc4)c3C)s2)c1 ZINC000410294011 973826738 /nfs/dbraw/zinc/82/67/38/973826738.db2.gz MKMATUUUKARNTN-UHFFFAOYSA-N -1 3 420.498 3.587 20 0 HHADHM Cc1cccc2oc(CC[N-]S(=O)(=O)c3cccc(Br)c3F)nc21 ZINC000410322407 973870377 /nfs/dbraw/zinc/87/03/77/973870377.db2.gz HUVYPLGCDODKKH-UHFFFAOYSA-N -1 3 413.268 3.559 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C[C@H](C)c2ccc(OC)cc2)cc1OC ZINC000426173954 974284249 /nfs/dbraw/zinc/28/42/49/974284249.db2.gz XAVAKELEBLQGGV-AWEZNQCLSA-N -1 3 406.504 3.598 20 0 HHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3CCCc4occc4C3)cs2)c1 ZINC000426174497 974285593 /nfs/dbraw/zinc/28/55/93/974285593.db2.gz ASWZVWIVXSFKGW-UHFFFAOYSA-N -1 3 411.483 3.520 20 0 HHADHM O=C([O-])[C@H](CNCc1cc(Cl)ccc1OC[C@@H]1CCCO1)Oc1ccc(F)cc1 ZINC000426626455 974570357 /nfs/dbraw/zinc/57/03/57/974570357.db2.gz AHIUWWTXXHEPIZ-ICSRJNTNSA-N -1 3 423.868 3.659 20 0 HHADHM CCS(=O)(=O)c1c(Cl)cccc1CNCC[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000426640906 974578078 /nfs/dbraw/zinc/57/80/78/974578078.db2.gz WCQJMYMQDIEYBQ-INIZCTEOSA-N -1 3 409.935 3.557 20 0 HHADHM COc1ccc([C@H](CCC(=O)[O-])[NH2+]Cc2cc(Br)c([O-])c(OC)c2)cc1 ZINC000426722137 974616119 /nfs/dbraw/zinc/61/61/19/974616119.db2.gz GJCHZTKUWVVINF-INIZCTEOSA-N -1 3 424.291 3.868 20 0 HHADHM COc1ccc(OC)c(CN[C@@H](CSCc2cccc3cccnc32)C(=O)[O-])c1 ZINC000426736493 974625110 /nfs/dbraw/zinc/62/51/10/974625110.db2.gz JHXHWJOBWIOUNO-IBGZPJMESA-N -1 3 412.511 3.728 20 0 HHADHM O=C([O-])[C@@H](CN1CCCCC1)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000426742504 974629045 /nfs/dbraw/zinc/62/90/45/974629045.db2.gz PPCFPPMYIGVPLS-MRXNPFEDSA-N -1 3 413.465 3.858 20 0 HHADHM O=C([O-])[C@@H](Cc1cn(-c2ccccc2)nn1)NCc1ccc(-c2ccccc2)cc1F ZINC000426760370 974639505 /nfs/dbraw/zinc/63/95/05/974639505.db2.gz QZRZCEQTJMCWEA-HSZRJFAPSA-N -1 3 416.456 3.859 20 0 HHADHM COc1ccc([C@@H](CC(=O)[O-])NCc2ccc(F)c(Br)c2)cc1OC ZINC000426787078 974659233 /nfs/dbraw/zinc/65/92/33/974659233.db2.gz AQQFYKRLZARDKW-OAHLLOKOSA-N -1 3 412.255 3.911 20 0 HHADHM COc1cc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)ccc1OCc1c(C)noc1C ZINC000426807829 974675882 /nfs/dbraw/zinc/67/58/82/974675882.db2.gz JFIVUQHOKMHISY-NRFANRHFSA-N -1 3 414.433 3.934 20 0 HHADHM COc1cc(CN[C@@H](CC(=O)[O-])c2cccc(Br)c2)cc(OC)c1OC ZINC000426816785 974682754 /nfs/dbraw/zinc/68/27/54/974682754.db2.gz QMMJDBQGWNSIFT-HNNXBMFYSA-N -1 3 424.291 3.781 20 0 HHADHM CCOc1cc(CN[C@@H](C(=O)[O-])c2ccsc2)cc(Br)c1OC ZINC000426819822 974684955 /nfs/dbraw/zinc/68/49/55/974684955.db2.gz WOKRKGOCRRNTEK-CQSZACIVSA-N -1 3 400.294 3.833 20 0 HHADHM COc1ccccc1[C@H](NCc1ccc(Br)c2cccnc12)C(=O)[O-] ZINC000426823778 974689477 /nfs/dbraw/zinc/68/94/77/974689477.db2.gz KBTPGAJNERQAJN-SFHVURJKSA-N -1 3 401.260 3.921 20 0 HHADHM CCOc1c(Br)cc(CN[C@H](C(=O)[O-])c2cccc(F)c2)cc1OC ZINC000426828415 974693736 /nfs/dbraw/zinc/69/37/36/974693736.db2.gz VQXMJURWZKOBRB-INIZCTEOSA-N -1 3 412.255 3.911 20 0 HHADHM CCc1c(C(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)cnn1CCC(C)C ZINC000426843916 974705963 /nfs/dbraw/zinc/70/59/63/974705963.db2.gz UXLVZAQKEUVJGH-UHFFFAOYSA-N -1 3 422.551 3.514 20 0 HHADHM CCc1ccc(-c2nc(CC(=O)Nc3ccc(Cc4nnn[n-]4)cc3)cs2)cc1 ZINC000427066345 974871735 /nfs/dbraw/zinc/87/17/35/974871735.db2.gz DYFVZTQXLNQVOT-UHFFFAOYSA-N -1 3 404.499 3.658 20 0 HHADHM CCc1ccc(-c2nc(CC(=O)Nc3ccc(Cc4nn[n-]n4)cc3)cs2)cc1 ZINC000427066345 974871739 /nfs/dbraw/zinc/87/17/39/974871739.db2.gz DYFVZTQXLNQVOT-UHFFFAOYSA-N -1 3 404.499 3.658 20 0 HHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 ZINC000427068324 974873816 /nfs/dbraw/zinc/87/38/16/974873816.db2.gz YPXLXOIHOKPMHV-UHFFFAOYSA-N -1 3 414.256 3.535 20 0 HHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 ZINC000427068324 974873821 /nfs/dbraw/zinc/87/38/21/974873821.db2.gz YPXLXOIHOKPMHV-UHFFFAOYSA-N -1 3 414.256 3.535 20 0 HHADHM O=C(Cc1csc(-c2ccc(Cl)cc2)n1)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000427079692 974885548 /nfs/dbraw/zinc/88/55/48/974885548.db2.gz ZJXVACOVAYDOJH-UHFFFAOYSA-N -1 3 410.890 3.749 20 0 HHADHM O=C(Cc1csc(-c2ccc(Cl)cc2)n1)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000427079692 974885563 /nfs/dbraw/zinc/88/55/63/974885563.db2.gz ZJXVACOVAYDOJH-UHFFFAOYSA-N -1 3 410.890 3.749 20 0 HHADHM Cc1cc(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)c2cc(Br)ccc2n1 ZINC000427084787 974890100 /nfs/dbraw/zinc/89/01/00/974890100.db2.gz AWXHWPHZEQQNHC-UHFFFAOYSA-N -1 3 423.274 3.662 20 0 HHADHM Cc1cc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)c2cc(Br)ccc2n1 ZINC000427084787 974890104 /nfs/dbraw/zinc/89/01/04/974890104.db2.gz AWXHWPHZEQQNHC-UHFFFAOYSA-N -1 3 423.274 3.662 20 0 HHADHM Cc1ccc(-c2cc(C(=O)Nc3c(C)[nH]c(=O)[n-]c3=O)c3cnn(C(C)C)c3n2)s1 ZINC000427137074 974932822 /nfs/dbraw/zinc/93/28/22/974932822.db2.gz OEYFEMWPYSKJRM-UHFFFAOYSA-N -1 3 424.486 3.811 20 0 HHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(C(F)(F)F)nc3OC(C)C)nc21 ZINC000427402269 975096487 /nfs/dbraw/zinc/09/64/87/975096487.db2.gz BOYVEWAXTUTKSS-UHFFFAOYSA-N -1 3 422.363 3.803 20 0 HHADHM Cc1ccc(NC(=O)C(=O)NCc2ccc([O-])c(Br)c2)cc1OC(C)C ZINC000427543206 975173763 /nfs/dbraw/zinc/17/37/63/975173763.db2.gz KIQZZJCIDAWBRJ-UHFFFAOYSA-N -1 3 421.291 3.505 20 0 HHADHM O=C(Nc1cc(Cl)ccc1O)[C@H]1CC[C@@H](C(=O)Nc2cc(Cl)ccc2[O-])O1 ZINC000427652419 975225103 /nfs/dbraw/zinc/22/51/03/975225103.db2.gz DOGQWBDCBGTWMV-IYBDPMFKSA-N -1 3 411.241 3.529 20 0 HHADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1CC[C@@H](C(=O)Nc2cc(Cl)ccc2O)O1 ZINC000427652419 975225108 /nfs/dbraw/zinc/22/51/08/975225108.db2.gz DOGQWBDCBGTWMV-IYBDPMFKSA-N -1 3 411.241 3.529 20 0 HHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(Oc2cccc(F)c2F)nc1 ZINC000427783332 975285579 /nfs/dbraw/zinc/28/55/79/975285579.db2.gz UZWQZPPCMPTDJC-UHFFFAOYSA-N -1 3 404.398 3.930 20 0 HHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000427811480 975303220 /nfs/dbraw/zinc/30/32/20/975303220.db2.gz MQRASICZIAVIQY-DYVFJYSZSA-N -1 3 401.937 3.728 20 0 HHADHM O=S(=O)([N-]C[C@H](CCO)c1ccccc1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000427870256 975329323 /nfs/dbraw/zinc/32/93/23/975329323.db2.gz ZHNKJTQZDNOXEV-INIZCTEOSA-N -1 3 422.959 3.908 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)Nc3cc(C)cc(OC)c3C)c2)n1 ZINC000427891535 975335270 /nfs/dbraw/zinc/33/52/70/975335270.db2.gz LNHBXUCGHATEKC-UHFFFAOYSA-N -1 3 420.469 3.614 20 0 HHADHM O=C(NCc1ccc([O-])c(F)c1)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000427945224 975361617 /nfs/dbraw/zinc/36/16/17/975361617.db2.gz GBRDUUAFEAFNQA-SFHVURJKSA-N -1 3 413.276 3.528 20 0 HHADHM CC(C)c1ccc(-n2cnnc2SCC(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000427963680 975368151 /nfs/dbraw/zinc/36/81/51/975368151.db2.gz YHEHQGAUFZQLMK-UHFFFAOYSA-N -1 3 400.479 3.644 20 0 HHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CSc3ccc(Br)cc32)c1 ZINC000428200158 975525621 /nfs/dbraw/zinc/52/56/21/975525621.db2.gz BHNXULCEAQTXJR-CQSZACIVSA-N -1 3 407.289 3.690 20 0 HHADHM O=S(=O)([N-]C[C@@]1(CO)C[C@@H]1c1ccc(F)cc1)c1cc(Cl)ccc1Cl ZINC000428409466 975729778 /nfs/dbraw/zinc/72/97/78/975729778.db2.gz VRDQNNIXTWHJNE-RHSMWYFYSA-N -1 3 404.290 3.577 20 0 HHADHM O=C([N-]c1nnc(Cc2cccc(F)c2)s1)c1cnc(OCc2ccccc2)cn1 ZINC000428708376 975999538 /nfs/dbraw/zinc/99/95/38/975999538.db2.gz MPJGNFGAUJYURP-UHFFFAOYSA-N -1 3 421.457 3.889 20 0 HHADHM Cc1nn(-c2ccccc2)c(C)c1[C@H]([N-]S(=O)(=O)c1cnccc1C)C(F)(F)F ZINC000429245759 976534876 /nfs/dbraw/zinc/53/48/76/976534876.db2.gz DIBHKRKUDUNJSV-SFHVURJKSA-N -1 3 424.448 3.774 20 0 HHADHM O=C([N-]c1cc2c(cc1Cl)CCC2=O)c1sccc1S(=O)(=O)N1CCCC1 ZINC000429503826 976760302 /nfs/dbraw/zinc/76/03/02/976760302.db2.gz JKVBKISBZRBLRR-UHFFFAOYSA-N -1 3 424.931 3.567 20 0 HHADHM Cc1nc([C@H]([N-]S(=O)(=O)c2c(C)cc(F)cc2C)c2ccc(Cl)cc2)no1 ZINC000429870093 977144189 /nfs/dbraw/zinc/14/41/89/977144189.db2.gz XAAAJDUACCWUPY-MRXNPFEDSA-N -1 3 409.870 3.855 20 0 HHADHM CCC(CC)(CC(=O)OC)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429873262 977147766 /nfs/dbraw/zinc/14/77/66/977147766.db2.gz YAYSGXKRKQFAQO-UHFFFAOYSA-N -1 3 412.733 3.503 20 0 HHADHM CC[C@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2Br)n[nH]1 ZINC000429876392 977151806 /nfs/dbraw/zinc/15/18/06/977151806.db2.gz HBGLIIHCYUQDLL-DTWKUNHWSA-N -1 3 421.748 3.774 20 0 HHADHM COCC[C@@H](Cc1ccco1)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429884360 977160396 /nfs/dbraw/zinc/16/03/96/977160396.db2.gz BJLXZEOGLPJRRV-LBPRGKRZSA-N -1 3 422.728 3.622 20 0 HHADHM O=C(NC[C@@H]1CSCCN1Cc1ccccc1)c1ccc(Br)c([O-])c1 ZINC000430105636 977321762 /nfs/dbraw/zinc/32/17/62/977321762.db2.gz UVQUXWVXUZDNAM-MRXNPFEDSA-N -1 3 421.360 3.502 20 0 HHADHM C[C@@H]1C[C@@]2(CCO1)CN(Cc1nc(=O)c3c(-c4ccco4)csc3[n-]1)C[C@H](C)O2 ZINC000430263594 977431332 /nfs/dbraw/zinc/43/13/32/977431332.db2.gz YGSKISLLLWZNLS-YPENRWOSSA-N -1 3 415.515 3.815 20 0 HHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(CN3CCOCC3)c2)c(C)c1 ZINC000430349318 977495328 /nfs/dbraw/zinc/49/53/28/977495328.db2.gz DLRZZPKXBPGGCN-UHFFFAOYSA-N -1 3 424.950 3.680 20 0 HHADHM CN(C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O)[C@@H]1CCSC1 ZINC000430579973 977642468 /nfs/dbraw/zinc/64/24/68/977642468.db2.gz DADIZTKCGPCURJ-SECBINFHSA-N -1 3 401.713 3.522 20 0 HHADHM Cc1cc(=O)n(C)cc1NC(=O)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430591648 977648508 /nfs/dbraw/zinc/64/85/08/977648508.db2.gz KXBKNXNDSQKMRO-UHFFFAOYSA-N -1 3 401.422 3.580 20 0 HHADHM C[C@H]1CCSCCN1C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430615716 977656250 /nfs/dbraw/zinc/65/62/50/977656250.db2.gz CYTAJDOQPXGDHB-VIFPVBQESA-N -1 3 415.740 3.912 20 0 HHADHM Cc1nc(-c2ccc(N3C(=O)N[C@H](Cc4cccc5ccccc54)C3=O)cc2)cc(=O)[n-]1 ZINC000430939862 977901997 /nfs/dbraw/zinc/90/19/97/977901997.db2.gz IBULFFCMNPHYAS-JOCHJYFZSA-N -1 3 424.460 3.978 20 0 HHADHM COC(=O)c1sc2[n-]c(CN3c4ccccc4S[C@@H](C)[C@@H]3C)nc(=O)c2c1C ZINC000431004935 977950073 /nfs/dbraw/zinc/95/00/73/977950073.db2.gz JGIJURQGXDUNDG-RYUDHWBXSA-N -1 3 415.540 3.969 20 0 HHADHM O=S(=O)([N-]Cc1ccn(C2CCCC2)n1)c1cc(Br)ccc1Cl ZINC000431273762 978159730 /nfs/dbraw/zinc/15/97/30/978159730.db2.gz IVNDWCKQQWWTOT-UHFFFAOYSA-N -1 3 418.744 3.893 20 0 HHADHM CCOC(=O)CSc1nnc([N-]C(=O)c2c(Cl)cc(F)cc2Cl)s1 ZINC000431467966 978316508 /nfs/dbraw/zinc/31/65/08/978316508.db2.gz CCCOSVUHNONRQG-UHFFFAOYSA-N -1 3 410.279 3.892 20 0 HHADHM COc1cc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)F)ccc1Br ZINC000431616950 978387959 /nfs/dbraw/zinc/38/79/59/978387959.db2.gz KOUALPQBBPDVES-AWEZNQCLSA-N -1 3 406.248 3.742 20 0 HHADHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)c1ncc(Br)cn1 ZINC000431632833 978397986 /nfs/dbraw/zinc/39/79/86/978397986.db2.gz YHMSYAGWLBGGMO-SSDOTTSWSA-N -1 3 411.108 3.585 20 0 HHADHM COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)[N-]c1cc(C(C)=O)ccc1Cl ZINC000432068502 978667662 /nfs/dbraw/zinc/66/76/62/978667662.db2.gz HDHMACRODCBHGV-UHFFFAOYSA-N -1 3 422.890 3.701 20 0 HHADHM O=S(=O)([N-]CCNCc1csc(Cl)c1Cl)c1ccc(Cl)s1 ZINC000432255859 978731152 /nfs/dbraw/zinc/73/11/52/978731152.db2.gz REYDQDWKXSKASU-UHFFFAOYSA-N -1 3 405.781 3.838 20 0 HHADHM Cc1nc([C@](C)([N-]S(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)C2CC2)no1 ZINC000432280803 978741952 /nfs/dbraw/zinc/74/19/52/978741952.db2.gz UYSZCYVKNGNCAS-LJQANCHMSA-N -1 3 420.560 3.889 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]C2(Cc3ccc(F)cc3)CCOCC2)sc1Cl ZINC000432293763 978748947 /nfs/dbraw/zinc/74/89/47/978748947.db2.gz LPRRBTKUVQJHGE-UHFFFAOYSA-N -1 3 403.928 3.919 20 0 HHADHM O=C([N-]c1nnc([C@H]2CCCc3ccccc32)s1)c1cn(Cc2cccs2)nn1 ZINC000432573231 978895055 /nfs/dbraw/zinc/89/50/55/978895055.db2.gz LPAXNCXLXXEDKF-INIZCTEOSA-N -1 3 422.539 3.960 20 0 HHADHM CCc1ccc([C@@H](NC(=O)CSc2ncc(C(=O)OC)[n-]2)c2cccs2)cc1 ZINC000432669063 978930368 /nfs/dbraw/zinc/93/03/68/978930368.db2.gz KZLUQWSOUKXTIH-GOSISDBHSA-N -1 3 415.540 3.818 20 0 HHADHM COC(=O)c1cnc(SCC(=O)N(C)[C@@H](c2ccccc2)c2ccc(F)cc2)[n-]1 ZINC000432672466 978931546 /nfs/dbraw/zinc/93/15/46/978931546.db2.gz TYKXIZUBUPBQJS-IBGZPJMESA-N -1 3 413.474 3.676 20 0 HHADHM Cc1cc(F)cc(NC(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000432729974 978951713 /nfs/dbraw/zinc/95/17/13/978951713.db2.gz JDVDJFKPQAIZOA-UHFFFAOYSA-N -1 3 405.278 3.748 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(-n3cncn3)c(F)c2)cc1C(C)C ZINC000432768471 978967529 /nfs/dbraw/zinc/96/75/29/978967529.db2.gz OZLZVSYIWPJYCG-UHFFFAOYSA-N -1 3 404.467 3.648 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(C[S@@](C)=O)c2C)cc1Cl ZINC000432769144 978967989 /nfs/dbraw/zinc/96/79/89/978967989.db2.gz QUAUUHKXBZLGSY-XMMPIXPASA-N -1 3 401.937 3.645 20 0 HHADHM CCCC(=O)Nc1nc2ccc([N-]S(=O)(=O)c3ccc(N(C)C)cc3)cc2s1 ZINC000432776332 978971168 /nfs/dbraw/zinc/97/11/68/978971168.db2.gz NABDQTZHIIECBF-UHFFFAOYSA-N -1 3 418.544 3.902 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)NC3CC3)c2)cc1C(C)C ZINC000432780024 978972536 /nfs/dbraw/zinc/97/25/36/978972536.db2.gz MAIAPMPQQHYQHT-UHFFFAOYSA-N -1 3 402.516 3.820 20 0 HHADHM CN(C)c1ccc(S(=O)(=O)[N-]c2ccc(-c3nnc4n3CCCCC4)cc2)cc1 ZINC000432781116 978972855 /nfs/dbraw/zinc/97/28/55/978972855.db2.gz PZPHMPZFZGDBJK-UHFFFAOYSA-N -1 3 411.531 3.538 20 0 HHADHM CCc1ccc([C@@H]2CCN(Cc3nc(=O)c4c(C)c(C(=O)OC)sc4[n-]3)C2)cc1 ZINC000433056818 979054113 /nfs/dbraw/zinc/05/41/13/979054113.db2.gz JAQVIFIYZVGIFJ-MRXNPFEDSA-N -1 3 411.527 3.632 20 0 HHADHM CCCc1nc(C)c(C(=O)[N-]c2ncn(Cc3ccc(Br)cc3)n2)o1 ZINC000433234371 979166529 /nfs/dbraw/zinc/16/65/29/979166529.db2.gz KBJKVMYNLGNLKC-UHFFFAOYSA-N -1 3 404.268 3.590 20 0 HHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1noc(-c2ccccc2F)n1 ZINC000433471267 979323843 /nfs/dbraw/zinc/32/38/43/979323843.db2.gz QNLVDDADGCQUGU-UHFFFAOYSA-N -1 3 405.382 3.548 20 0 HHADHM CN(C)c1cccc(C[N-]S(=O)(=O)c2cc(Br)sc2Cl)c1 ZINC000433644949 979448801 /nfs/dbraw/zinc/44/88/01/979448801.db2.gz MOEPSYJLXYLNNY-UHFFFAOYSA-N -1 3 409.758 3.709 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)Nc3ncc(C(C)C)s3)c2)[n-]1 ZINC000433826519 979605446 /nfs/dbraw/zinc/60/54/46/979605446.db2.gz PLZYZVZMBRUORV-UHFFFAOYSA-N -1 3 414.491 3.550 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)Nc3ncc(C(C)C)s3)c2)n[n-]1 ZINC000433826519 979605453 /nfs/dbraw/zinc/60/54/53/979605453.db2.gz PLZYZVZMBRUORV-UHFFFAOYSA-N -1 3 414.491 3.550 20 0 HHADHM Cc1cc(S(=O)(=O)[N-][C@@H](c2nc(C3CC3)no2)C(C)C)sc1Br ZINC000433843718 979621015 /nfs/dbraw/zinc/62/10/15/979621015.db2.gz VWFWHTIKRRYTKI-LLVKDONJSA-N -1 3 420.354 3.755 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)NCC2(c3ccc(Cl)cc3)CCCCC2)c(C)o1 ZINC000433942902 979702428 /nfs/dbraw/zinc/70/24/28/979702428.db2.gz RLRAEEVKJKCENY-UHFFFAOYSA-N -1 3 424.950 3.781 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](CC2CCCCC2)c2ccccc2)c(C)o1 ZINC000433950601 979709213 /nfs/dbraw/zinc/70/92/13/979709213.db2.gz YDSZSXFYERBVGC-IBGZPJMESA-N -1 3 404.532 3.938 20 0 HHADHM CCC[C@@H](NC(=O)NCc1cccc(-c2nnc(C(=O)OCC)[n-]2)c1)c1ccccc1 ZINC000434002062 979749736 /nfs/dbraw/zinc/74/97/36/979749736.db2.gz MBVJRMLRTAEVBB-LJQANCHMSA-N -1 3 421.501 3.989 20 0 HHADHM CCC[C@@H](NC(=O)NCc1cccc(-c2n[n-]c(C(=O)OCC)n2)c1)c1ccccc1 ZINC000434002062 979749742 /nfs/dbraw/zinc/74/97/42/979749742.db2.gz MBVJRMLRTAEVBB-LJQANCHMSA-N -1 3 421.501 3.989 20 0 HHADHM CCCCc1oc2ccccc2c1CN(C)C(=O)c1cc(S(=O)(=O)[N-]C)oc1C ZINC000434088581 979837102 /nfs/dbraw/zinc/83/71/02/979837102.db2.gz GUOHZNRLQHXWNT-UHFFFAOYSA-N -1 3 418.515 3.857 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](c2ccsc2)c2ccc(Cl)cc2)c(C)o1 ZINC000434090903 979838719 /nfs/dbraw/zinc/83/87/19/979838719.db2.gz IVSOBDKTGVWRSF-KRWDZBQOSA-N -1 3 424.931 3.730 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(CO[C@@H]3CCC[C@@H](C)C3)c2)c(C)o1 ZINC000434094555 979843279 /nfs/dbraw/zinc/84/32/79/979843279.db2.gz XMTXEYMZYDHVII-RDTXWAMCSA-N -1 3 420.531 3.844 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(CO[C@@H]3CCC[C@H](C)C3)c2)c(C)o1 ZINC000434094552 979843466 /nfs/dbraw/zinc/84/34/66/979843466.db2.gz XMTXEYMZYDHVII-KBXCAEBGSA-N -1 3 420.531 3.844 20 0 HHADHM CCOC(=O)c1cc(F)c(F)cc1[N-]C(=O)c1cc(-c2ccc3c(c2)CCO3)no1 ZINC000434155791 979917909 /nfs/dbraw/zinc/91/79/09/979917909.db2.gz YXMHQUQDQHWMNX-UHFFFAOYSA-N -1 3 414.364 3.984 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(Oc3cccc(F)c3)cc2)c(C)o1 ZINC000434199421 979966240 /nfs/dbraw/zinc/96/62/40/979966240.db2.gz SCNJZNNLHRMLKR-UHFFFAOYSA-N -1 3 404.419 3.680 20 0 HHADHM CCSCC[C@H](C)N(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000434283159 980043089 /nfs/dbraw/zinc/04/30/89/980043089.db2.gz OEYAAWCPZGZGJF-ZDUSSCGKSA-N -1 3 413.540 3.558 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)NCC1(CO)CC(c2ccccc2)C1 ZINC000434291735 980052375 /nfs/dbraw/zinc/05/23/75/980052375.db2.gz GHRGCNOIBYFLQW-UHFFFAOYSA-N -1 3 419.319 3.510 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc3[nH]c(C4CCCCC4)nc3c2)c(C)o1 ZINC000434392197 980135788 /nfs/dbraw/zinc/13/57/88/980135788.db2.gz ZBGXIGRDDCIJKU-UHFFFAOYSA-N -1 3 416.503 3.672 20 0 HHADHM Cc1ccc(Cl)c(NC(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)c1C ZINC000434481417 980205145 /nfs/dbraw/zinc/20/51/45/980205145.db2.gz GIAHZGKFAYZFQS-UHFFFAOYSA-N -1 3 422.359 3.772 20 0 HHADHM COc1ccc(Br)c([N-]S(=O)(=O)c2c(C)cc(C)cc2OC)c1 ZINC000434625514 980305663 /nfs/dbraw/zinc/30/56/63/980305663.db2.gz DRTBLELAORRNEZ-UHFFFAOYSA-N -1 3 400.294 3.884 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2c(C)cccc2F)c(I)c1 ZINC000434633801 980309561 /nfs/dbraw/zinc/30/95/61/980309561.db2.gz LSXFQTZJUMWEJG-UHFFFAOYSA-N -1 3 421.231 3.548 20 0 HHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CCSC(C)(C)CC3)nc(=O)c2c1C ZINC000434694563 980344405 /nfs/dbraw/zinc/34/44/05/980344405.db2.gz TWEHFIZDIDWIOI-GFCCVEGCSA-N -1 3 409.577 3.748 20 0 HHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CCOCC(F)(F)C(F)F ZINC000434766035 980387781 /nfs/dbraw/zinc/38/77/81/980387781.db2.gz SBSNZMLNVYAXGZ-UHFFFAOYSA-N -1 3 403.781 3.590 20 0 HHADHM CC(C)c1nc(CC[N-]S(=O)(=O)c2cc(F)ccc2Br)cs1 ZINC000435211156 980724023 /nfs/dbraw/zinc/72/40/23/980724023.db2.gz OILZFVIIRBARSP-UHFFFAOYSA-N -1 3 407.330 3.689 20 0 HHADHM CC[C@](C)([N-]S(=O)(=O)c1cc(F)ccc1Br)c1nc(C)cs1 ZINC000435221306 980730425 /nfs/dbraw/zinc/73/04/25/980730425.db2.gz XMXPVEWLSACSQH-AWEZNQCLSA-N -1 3 407.330 3.957 20 0 HHADHM COc1cccc(CCC[N-]S(=O)(=O)c2cc(F)ccc2Br)c1 ZINC000435222393 980731716 /nfs/dbraw/zinc/73/17/16/980731716.db2.gz JSEUVFNWQPCLPH-UHFFFAOYSA-N -1 3 402.285 3.508 20 0 HHADHM Cc1csc([C@@H]([N-]S(=O)(=O)c2cccc(C)c2Br)C2CC2)n1 ZINC000435227834 980735131 /nfs/dbraw/zinc/73/51/31/980735131.db2.gz VSADGQIUWUOALH-AWEZNQCLSA-N -1 3 401.351 3.952 20 0 HHADHM COc1cc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccncc3)cc2)cc1C ZINC000435728825 981005387 /nfs/dbraw/zinc/00/53/87/981005387.db2.gz QQUVEBWPUXTSFI-UHFFFAOYSA-N -1 3 411.483 3.760 20 0 HHADHM Cc1noc(C)c1C(C)(C)C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000435765102 981021330 /nfs/dbraw/zinc/02/13/30/981021330.db2.gz URBZWMUUEVITBV-UHFFFAOYSA-N -1 3 419.909 3.805 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3coc(C)c3)ccc2C)cc1 ZINC000435828287 981049039 /nfs/dbraw/zinc/04/90/39/981049039.db2.gz RYZLCIQOMSDVES-UHFFFAOYSA-N -1 3 400.456 3.958 20 0 HHADHM COc1ccc(-c2ncc(C(=O)[N-]c3nc4ccc(Cl)cn4n3)s2)cc1OC ZINC000435913511 981089917 /nfs/dbraw/zinc/08/99/17/981089917.db2.gz JHMXJLYZBCGSRU-UHFFFAOYSA-N -1 3 415.862 3.776 20 0 HHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NC[C@H]3CCC(F)(F)C3)cs2)c1 ZINC000435951947 981110246 /nfs/dbraw/zinc/11/02/46/981110246.db2.gz JJTRLAPSCARJPB-LBPRGKRZSA-N -1 3 409.458 3.504 20 0 HHADHM Cc1nc(C)c(CC(=O)N2CCc3ccccc3[C@H](c3ccccc3)[C@H]2C)c(=O)[n-]1 ZINC000435969865 981122107 /nfs/dbraw/zinc/12/21/07/981122107.db2.gz ZVBUEGZEZQBFIA-OSPHWJPCSA-N -1 3 401.510 3.947 20 0 HHADHM CCOC(=O)c1nc(C2CCN(C(=O)Nc3cc(Cl)cc(Cl)c3)CC2)n[n-]1 ZINC000436097696 981198727 /nfs/dbraw/zinc/19/87/27/981198727.db2.gz AKTIPAIUNVRDHH-UHFFFAOYSA-N -1 3 412.277 3.700 20 0 HHADHM CCOC(=O)c1nnc(C2CCN(C(=O)Nc3cc(Cl)cc(Cl)c3)CC2)[n-]1 ZINC000436097696 981198731 /nfs/dbraw/zinc/19/87/31/981198731.db2.gz AKTIPAIUNVRDHH-UHFFFAOYSA-N -1 3 412.277 3.700 20 0 HHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000436098293 981199269 /nfs/dbraw/zinc/19/92/69/981199269.db2.gz CTQSGAAWDATABA-CYBMUJFWSA-N -1 3 415.730 3.788 20 0 HHADHM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1Cl ZINC000436152107 981223233 /nfs/dbraw/zinc/22/32/33/981223233.db2.gz GHBWXVNOEOZGGV-UHFFFAOYSA-N -1 3 412.895 3.895 20 0 HHADHM COC[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)c1ccc(F)cc1 ZINC000436196122 981244396 /nfs/dbraw/zinc/24/43/96/981244396.db2.gz HVDBNYGNLFHGGB-CQSZACIVSA-N -1 3 422.703 3.908 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3nc[nH]n3)ccc2F)cc1C(F)(F)F ZINC000436473692 981392425 /nfs/dbraw/zinc/39/24/25/981392425.db2.gz BPXUUWLJZKHNLX-UHFFFAOYSA-N -1 3 400.357 3.739 20 0 HHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(CCC(F)(F)F)cc1 ZINC000436481913 981395214 /nfs/dbraw/zinc/39/52/14/981395214.db2.gz FSUMZAJLAAXBEQ-UHFFFAOYSA-N -1 3 420.431 3.922 20 0 HHADHM COc1ccccc1Oc1ccc(NC(=O)NCCNC(=O)c2ccc([O-])cc2)cc1 ZINC000436483044 981395520 /nfs/dbraw/zinc/39/55/20/981395520.db2.gz JHSMMVPJNQCDMG-UHFFFAOYSA-N -1 3 421.453 3.745 20 0 HHADHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1cccc(COc2cccc(F)c2)c1 ZINC000436485352 981396044 /nfs/dbraw/zinc/39/60/44/981396044.db2.gz KMVIGBYXFHTNBS-UHFFFAOYSA-N -1 3 423.444 3.662 20 0 HHADHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1c(F)cccc1Oc1ccccc1 ZINC000436498179 981401891 /nfs/dbraw/zinc/40/18/91/981401891.db2.gz VEYHSFNYMFUCNT-UHFFFAOYSA-N -1 3 409.417 3.875 20 0 HHADHM CCOc1cc(-c2noc(-c3ccc4cncn4c3)n2)cc(Br)c1[O-] ZINC000436511917 981410443 /nfs/dbraw/zinc/41/04/43/981410443.db2.gz ILBUVKNWOPCLIH-UHFFFAOYSA-N -1 3 401.220 3.918 20 0 HHADHM O=C(CNC(=O)c1cc(Oc2ccccc2)ccc1[O-])N[C@H]1CCOc2ccccc21 ZINC000436515814 981411790 /nfs/dbraw/zinc/41/17/90/981411790.db2.gz WPBNDGPTKYHAPZ-FQEVSTJZSA-N -1 3 418.449 3.554 20 0 HHADHM CCOC[C@H]1CCCN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000436520791 981414546 /nfs/dbraw/zinc/41/45/46/981414546.db2.gz AIEXRZAPQFMJQP-AVRDEDQJSA-N -1 3 410.514 3.529 20 0 HHADHM CC[C@H](NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1ccncc1 ZINC000436523358 981415977 /nfs/dbraw/zinc/41/59/77/981415977.db2.gz APNFWOMZMMUFJC-FCHUYYIVSA-N -1 3 403.482 3.916 20 0 HHADHM CC[C@H](NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1ccncc1 ZINC000436523360 981415985 /nfs/dbraw/zinc/41/59/85/981415985.db2.gz APNFWOMZMMUFJC-VXKWHMMOSA-N -1 3 403.482 3.916 20 0 HHADHM O=C(NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436527249 981420036 /nfs/dbraw/zinc/42/00/36/981420036.db2.gz SUSOXSQVNBTGSF-IBGZPJMESA-N -1 3 416.477 3.963 20 0 HHADHM CC(C)CC[C@](C)(O)CNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436526907 981420321 /nfs/dbraw/zinc/42/03/21/981420321.db2.gz JRBLZNFVRMRBKH-QPPBQGQZSA-N -1 3 412.530 3.557 20 0 HHADHM C[C@@H](CCc1cccn1C)NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436528356 981420894 /nfs/dbraw/zinc/42/08/94/981420894.db2.gz NWJCPOYVDPHVKL-MBSDFSHPSA-N -1 3 419.525 3.729 20 0 HHADHM C[C@@H](CCc1cccn1C)NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436528348 981420920 /nfs/dbraw/zinc/42/09/20/981420920.db2.gz NWJCPOYVDPHVKL-FDDCHVKYSA-N -1 3 419.525 3.729 20 0 HHADHM C[S@@](=O)c1cccc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC000436529568 981422756 /nfs/dbraw/zinc/42/27/56/981422756.db2.gz SCNZRLJXHKEBPU-URAOTHONSA-N -1 3 422.506 3.630 20 0 HHADHM CC1(C)[C@H](NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)[C@@H]2CCCO[C@@H]21 ZINC000436531184 981423473 /nfs/dbraw/zinc/42/34/73/981423473.db2.gz VRYMYRJWQMIPDX-RLBLXZPPSA-N -1 3 422.525 3.573 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NC1CCC(F)(F)CC1 ZINC000436533271 981425091 /nfs/dbraw/zinc/42/50/91/981425091.db2.gz IKZMSDZCFVTOPK-IBGZPJMESA-N -1 3 402.441 3.948 20 0 HHADHM CC(C)c1ccc(C(=O)N2CCN(c3ccnc(-c4ccccc4)n3)CC2)c([O-])c1 ZINC000436533393 981425329 /nfs/dbraw/zinc/42/53/29/981425329.db2.gz HZPDCRMRIVKIHA-UHFFFAOYSA-N -1 3 402.498 3.935 20 0 HHADHM CC1(C)Cc2ccc(C(=O)Nc3ccc(Oc4cccc(C(N)=O)c4)nc3)c([O-])c2O1 ZINC000436536664 981427579 /nfs/dbraw/zinc/42/75/79/981427579.db2.gz DTQVPGYHKRTLSR-UHFFFAOYSA-N -1 3 419.437 3.644 20 0 HHADHM O=C(Nc1ccc2[nH]c(CCN3CCOCC3)nc2c1)c1cc2ccccc2cc1[O-] ZINC000436540442 981429897 /nfs/dbraw/zinc/42/98/97/981429897.db2.gz ZDIPYZQUKIGDMK-UHFFFAOYSA-N -1 3 416.481 3.549 20 0 HHADHM O=C(Nc1ccc2nc(CCN3CCOCC3)[nH]c2c1)c1cc2ccccc2cc1[O-] ZINC000436540442 981429901 /nfs/dbraw/zinc/42/99/01/981429901.db2.gz ZDIPYZQUKIGDMK-UHFFFAOYSA-N -1 3 416.481 3.549 20 0 HHADHM CN(Cc1nc(-c2cccnc2)no1)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436541253 981430392 /nfs/dbraw/zinc/43/03/92/981430392.db2.gz WUWYAVUFPNJYJN-UHFFFAOYSA-N -1 3 414.465 3.895 20 0 HHADHM O=C(NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1cc2c(cc1[O-])OCO2 ZINC000436542705 981431866 /nfs/dbraw/zinc/43/18/66/981431866.db2.gz ATGQAZPZXWXEHU-UHFFFAOYSA-N -1 3 423.387 3.618 20 0 HHADHM O=C(Nc1cccc(C(=O)N2CCc3ccccc32)c1)c1cc2c(cc1[O-])OCO2 ZINC000436542323 981432114 /nfs/dbraw/zinc/43/21/14/981432114.db2.gz FVRJWUZVSYOKKP-UHFFFAOYSA-N -1 3 402.406 3.576 20 0 HHADHM CNC(=O)CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000436552014 981438160 /nfs/dbraw/zinc/43/81/60/981438160.db2.gz SWHIOPJJMDXPTQ-UHFFFAOYSA-N -1 3 408.420 3.923 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCCC[C@H]1CCCC[C@H]1O ZINC000436552855 981438796 /nfs/dbraw/zinc/43/87/96/981438796.db2.gz ASGJDMQCWWFNBU-WTIAFYNJSA-N -1 3 424.541 3.701 20 0 HHADHM CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436555167 981440099 /nfs/dbraw/zinc/44/00/99/981440099.db2.gz JULQOBJMTHTKLJ-SFLYRZDNSA-N -1 3 424.541 3.821 20 0 HHADHM CC(C)CO[C@H]1CCN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000436558165 981443412 /nfs/dbraw/zinc/44/34/12/981443412.db2.gz UJKCLWAOBYTCTC-VXKWHMMOSA-N -1 3 410.514 3.527 20 0 HHADHM CNC(=O)CCOc1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])cc1 ZINC000436561280 981445564 /nfs/dbraw/zinc/44/55/64/981445564.db2.gz HJXPIRKWAIHTBJ-UHFFFAOYSA-N -1 3 420.465 3.738 20 0 HHADHM CC(C)c1ccc(C(=O)NCc2csc(CNC(=O)c3ccccc3)n2)c([O-])c1 ZINC000436573463 981452661 /nfs/dbraw/zinc/45/26/61/981452661.db2.gz HVPYVLAKLUVIBC-UHFFFAOYSA-N -1 3 409.511 3.832 20 0 HHADHM O=C(NCc1ccccc1CN1CCC(O)CC1)c1c([O-])cc(Cl)cc1Cl ZINC000436576325 981455173 /nfs/dbraw/zinc/45/51/73/981455173.db2.gz QKPPZPDNBUZGNS-UHFFFAOYSA-N -1 3 409.313 3.586 20 0 HHADHM Cc1ccc(C(=O)N[C@@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)c([O-])c1 ZINC000436578741 981456619 /nfs/dbraw/zinc/45/66/19/981456619.db2.gz XKACIJNXWKXXSO-NRFANRHFSA-N -1 3 413.470 3.763 20 0 HHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCCN(CC(F)(F)F)CC1 ZINC000436581587 981458632 /nfs/dbraw/zinc/45/86/32/981458632.db2.gz JMAVDMHFXAEZRU-UHFFFAOYSA-N -1 3 406.448 3.888 20 0 HHADHM O=C(C[C@@H]1COCCN1C(=O)c1cc(CCc2ccccc2)ccc1[O-])c1ccco1 ZINC000436587599 981461965 /nfs/dbraw/zinc/46/19/65/981461965.db2.gz PPWOFNFLOUAKRQ-HXUWFJFHSA-N -1 3 419.477 3.884 20 0 HHADHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1cccc(OCc2cccc(F)c2)c1 ZINC000436593124 981464385 /nfs/dbraw/zinc/46/43/85/981464385.db2.gz ANHQXEWKHJWNIM-UHFFFAOYSA-N -1 3 423.444 3.662 20 0 HHADHM CC(C)(C)S(=O)(=O)CC(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000436604946 981470398 /nfs/dbraw/zinc/47/03/98/981470398.db2.gz OSWBEJWKNBLUIS-UHFFFAOYSA-N -1 3 404.513 3.821 20 0 HHADHM CCc1ncsc1NC(=O)c1cc(CN2C(=O)c3ccccc3C2=O)cc(C)c1[O-] ZINC000436605781 981470418 /nfs/dbraw/zinc/47/04/18/981470418.db2.gz QEWGFNPLYYLNIR-UHFFFAOYSA-N -1 3 421.478 3.768 20 0 HHADHM COc1ncnc(OC)c1C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000436607035 981470885 /nfs/dbraw/zinc/47/08/85/981470885.db2.gz RATICMCKHPRECC-UHFFFAOYSA-N -1 3 408.439 3.728 20 0 HHADHM CC[C@@H](NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(Cl)cc1 ZINC000436606642 981471014 /nfs/dbraw/zinc/47/10/14/981471014.db2.gz HUBLAEPWPUWVCU-GOSISDBHSA-N -1 3 401.894 3.664 20 0 HHADHM Cc1cn(-c2ncccc2F)nc1NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436609855 981472826 /nfs/dbraw/zinc/47/28/26/981472826.db2.gz WPTLSFVWUZJCCG-UHFFFAOYSA-N -1 3 404.401 4.465 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)NC2CC(F)(c3cccc(Cl)c3)C2)c([O-])c1 ZINC000436609545 981472955 /nfs/dbraw/zinc/47/29/55/981472955.db2.gz RXUXZTBQFVAPSZ-UHFFFAOYSA-N -1 3 404.869 3.618 20 0 HHADHM O=C(N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436621152 981478967 /nfs/dbraw/zinc/47/89/67/981478967.db2.gz CLUZTDNGLWXBNJ-KBAYOESNSA-N -1 3 418.415 3.688 20 0 HHADHM CC[C@H](CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])Oc1ccccc1Cl ZINC000436623509 981480150 /nfs/dbraw/zinc/48/01/50/981480150.db2.gz GUFAJESENBIMEU-CRAIPNDOSA-N -1 3 416.905 3.624 20 0 HHADHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000436627850 981482553 /nfs/dbraw/zinc/48/25/53/981482553.db2.gz VKFYXUUYDNTENQ-NVQXNPDNSA-N -1 3 418.537 3.894 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCC1(CCO)CCCCC1 ZINC000436630361 981483119 /nfs/dbraw/zinc/48/31/19/981483119.db2.gz NBTYAHYVUAHBFM-QFIPXVFZSA-N -1 3 424.541 3.703 20 0 HHADHM COc1cccc(C=C2CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])CC2)c1 ZINC000436629755 981483257 /nfs/dbraw/zinc/48/32/57/981483257.db2.gz KQVGNHFCBSGCQC-QFIPXVFZSA-N -1 3 420.509 3.711 20 0 HHADHM COc1ccc(NC(=O)Cc2csc(NC(=O)c3cc(C)ccc3[O-])n2)cc1F ZINC000436634640 981485053 /nfs/dbraw/zinc/48/50/53/981485053.db2.gz HDAVHXJCOIZJGR-UHFFFAOYSA-N -1 3 415.446 3.738 20 0 HHADHM O=C(CCC(=O)c1ccc(-c2ccccc2)cc1)NCCNC(=O)c1ccc([O-])cc1 ZINC000436643628 981490295 /nfs/dbraw/zinc/49/02/95/981490295.db2.gz QFLJBJVYHCPRDM-UHFFFAOYSA-N -1 3 416.477 3.568 20 0 HHADHM O=C(c1ccccc1[O-])N1CCN(Cc2ccc(Cl)c(Br)c2)CC1 ZINC000436648077 981490797 /nfs/dbraw/zinc/49/07/97/981490797.db2.gz KYGMOEQKSSAJMS-UHFFFAOYSA-N -1 3 409.711 3.766 20 0 HHADHM O=C(Nc1ccc(CCn2cc(Br)cn2)cc1)c1c([O-])cccc1O ZINC000436645915 981490991 /nfs/dbraw/zinc/49/09/91/981490991.db2.gz DJTWTTMFXZGNRQ-UHFFFAOYSA-N -1 3 402.248 3.552 20 0 HHADHM Cc1cc2c(cc1NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)OCO2 ZINC000436659702 981495944 /nfs/dbraw/zinc/49/59/44/981495944.db2.gz QINJXAVKXIBLFW-HXUWFJFHSA-N -1 3 418.449 3.929 20 0 HHADHM COc1ccc2[nH]cc(C3CCN(C(=O)c4cc(OC)c([O-])c(OC)c4)CC3)c2c1 ZINC000436662628 981498586 /nfs/dbraw/zinc/49/85/86/981498586.db2.gz JITWNTZTKAFYMV-UHFFFAOYSA-N -1 3 410.470 3.919 20 0 HHADHM CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000436664963 981499928 /nfs/dbraw/zinc/49/99/28/981499928.db2.gz MQQPAIKEMMVSIV-FQEVSTJZSA-N -1 3 420.513 3.554 20 0 HHADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)c2ccccc2CCc2ccccc2)CC1 ZINC000436665795 981500018 /nfs/dbraw/zinc/50/00/18/981500018.db2.gz PKVAQJLGBQKHIE-UHFFFAOYSA-N -1 3 414.505 3.776 20 0 HHADHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CC[C@](F)(c2cccc(Cl)c2)C1 ZINC000436668436 981501420 /nfs/dbraw/zinc/50/14/20/981501420.db2.gz WSRGIWVXFZOLAA-PGRDOPGGSA-N -1 3 416.880 3.748 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)Cc2ccc(C)cc2C)c1 ZINC000436670709 981502785 /nfs/dbraw/zinc/50/27/85/981502785.db2.gz SIEZAZKISWLYOT-HNNXBMFYSA-N -1 3 407.470 3.919 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)Cc2ccc(C)cc2C)c1 ZINC000436670710 981502808 /nfs/dbraw/zinc/50/28/08/981502808.db2.gz SIEZAZKISWLYOT-OAHLLOKOSA-N -1 3 407.470 3.919 20 0 HHADHM COc1ccc([C@@H](C)N(C)C(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])cc1 ZINC000436672516 981503902 /nfs/dbraw/zinc/50/39/02/981503902.db2.gz DUGVFHFYUUVMGN-CYBMUJFWSA-N -1 3 409.442 3.783 20 0 HHADHM Cc1ccc(Cc2ccccn2)cc1NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436678469 981507375 /nfs/dbraw/zinc/50/73/75/981507375.db2.gz CAEUAHZMUXHZBJ-QFIPXVFZSA-N -1 3 415.493 3.930 20 0 HHADHM Cc1cc(C)c2nc(C3CC3)cc(C(=O)NCCNC(=O)c3ccc([O-])cc3)c2c1 ZINC000436680027 981508248 /nfs/dbraw/zinc/50/82/48/981508248.db2.gz HYSPFWFRIHSGDC-UHFFFAOYSA-N -1 3 403.482 3.594 20 0 HHADHM Cc1ccc(-c2nsc(NC(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])n2)s1 ZINC000436680391 981508961 /nfs/dbraw/zinc/50/89/61/981508961.db2.gz JHLCUFNAKINZAW-ZDUSSCGKSA-N -1 3 414.512 3.524 20 0 HHADHM CCOCCC1(CNC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])CCCC1 ZINC000436682770 981510318 /nfs/dbraw/zinc/51/03/18/981510318.db2.gz WNKPZOSLGLAULM-UHFFFAOYSA-N -1 3 415.490 3.658 20 0 HHADHM CCc1ccc([C@H]2CCCN(C(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])C2)cc1 ZINC000436685260 981511591 /nfs/dbraw/zinc/51/15/91/981511591.db2.gz LFOZPGFOBFCEHS-UNMCSNQZSA-N -1 3 406.526 3.965 20 0 HHADHM O=C(Nc1ccccc1Br)C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436685558 981511731 /nfs/dbraw/zinc/51/17/31/981511731.db2.gz CNKXQOQYPWHOPL-UHFFFAOYSA-N -1 3 403.276 3.646 20 0 HHADHM CCOc1ccc(NC(=O)c2ccc(C)c(C)c2[O-])cc1S(=O)(=O)N(CC)CC ZINC000436688514 981513036 /nfs/dbraw/zinc/51/30/36/981513036.db2.gz OPMPLIVCQLOVOM-UHFFFAOYSA-N -1 3 420.531 3.691 20 0 HHADHM CN(CCCOc1ccc(Cl)cc1)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436690588 981514478 /nfs/dbraw/zinc/51/44/78/981514478.db2.gz ZSEDTCXNMCGBGU-IBGZPJMESA-N -1 3 416.905 3.578 20 0 HHADHM Cc1nc(-c2cccc(NC(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])c2)oc1C ZINC000436691720 981515439 /nfs/dbraw/zinc/51/54/39/981515439.db2.gz KEIZYZDJUBZXNL-LJQANCHMSA-N -1 3 405.454 3.907 20 0 HHADHM O=C(N[C@@H](c1ccc(F)cc1)C1CCC1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436701235 981520891 /nfs/dbraw/zinc/52/08/91/981520891.db2.gz ZWOPLSWJHBZBME-OAQYLSRUSA-N -1 3 411.477 3.540 20 0 HHADHM CC(C)C(=O)c1ccc([C@@H](C)C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436706160 981522842 /nfs/dbraw/zinc/52/28/42/981522842.db2.gz UTISXQQMNYHIDZ-QGZVFWFLSA-N -1 3 422.525 3.755 20 0 HHADHM [O-]c1ccccc1-c1nc(CSc2nnc(Nc3ccccc3F)s2)no1 ZINC000436706234 981522932 /nfs/dbraw/zinc/52/29/32/981522932.db2.gz OXGXUJNRNKFBQC-UHFFFAOYSA-N -1 3 401.448 4.469 20 0 HHADHM O=C(N[C@H](c1ccccc1)C1CCCC1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436709130 981523470 /nfs/dbraw/zinc/52/34/70/981523470.db2.gz LYEHVNHPIIDZSY-JOCHJYFZSA-N -1 3 407.514 3.791 20 0 HHADHM O=C(Nc1cccc(COc2ccc3c(c2)OCO3)c1)c1cc2c(cc1[O-])OCO2 ZINC000436710345 981524334 /nfs/dbraw/zinc/52/43/34/981524334.db2.gz SKVCYZZBFWJXTQ-UHFFFAOYSA-N -1 3 407.378 3.681 20 0 HHADHM O=C(N[C@H](CC(F)(F)F)c1ccccc1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436711269 981524802 /nfs/dbraw/zinc/52/48/02/981524802.db2.gz GDFHDVCNAPZMPJ-QGZVFWFLSA-N -1 3 421.419 3.553 20 0 HHADHM O=C(N[C@H]1CCCC[C@@H]1c1ccccc1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436714135 981526711 /nfs/dbraw/zinc/52/67/11/981526711.db2.gz HGGIXQMIPGJKIY-YADHBBJMSA-N -1 3 407.514 3.586 20 0 HHADHM O=C(NCc1ccc(OC2CCCC2)cc1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436725958 981533349 /nfs/dbraw/zinc/53/33/49/981533349.db2.gz TUOJXNWNACKWDS-OAQYLSRUSA-N -1 3 408.498 3.635 20 0 HHADHM COc1c(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)cc(Cl)cc1C(=O)N(C)C ZINC000436728775 981534961 /nfs/dbraw/zinc/53/49/61/981534961.db2.gz CVKQCVPXUPPQHN-UHFFFAOYSA-N -1 3 418.877 3.722 20 0 HHADHM CC[C@@H](NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)C(C)(C)c1ccccc1 ZINC000436729985 981535521 /nfs/dbraw/zinc/53/55/21/981535521.db2.gz CXFDMBYYOKVUNU-OAQYLSRUSA-N -1 3 409.530 3.616 20 0 HHADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)C1(N2CCOCC2)CCC1 ZINC000436735909 981538300 /nfs/dbraw/zinc/53/83/00/981538300.db2.gz FYAGTADVERDDCE-UHFFFAOYSA-N -1 3 409.511 3.862 20 0 HHADHM COCc1cccc(OCC2(CN3CCN(C(=O)c4ccccc4[O-])CC3)CCC2)c1 ZINC000436736966 981538741 /nfs/dbraw/zinc/53/87/41/981538741.db2.gz JUOMTQKITKZERH-UHFFFAOYSA-N -1 3 424.541 3.546 20 0 HHADHM Cc1nc2sc3c(c2c(N2CCN(C(=O)c4ccccc4[O-])CC2)n1)CCCCC3 ZINC000436740130 981540075 /nfs/dbraw/zinc/54/00/75/981540075.db2.gz PTDAMTRLMKSJGW-UHFFFAOYSA-N -1 3 422.554 3.937 20 0 HHADHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1cc(Cl)ccc1OCC1CCC1 ZINC000436741228 981540998 /nfs/dbraw/zinc/54/09/98/981540998.db2.gz SSYIZCDTTVTVRR-UHFFFAOYSA-N -1 3 417.893 3.776 20 0 HHADHM CN(C)C(=O)COc1ccc(NC(=O)c2cc3c(cc2[O-])CCCC3)cc1Cl ZINC000436746104 981542651 /nfs/dbraw/zinc/54/26/51/981542651.db2.gz XDKLUVFAHLIKJS-UHFFFAOYSA-N -1 3 402.878 3.644 20 0 HHADHM CC(C)CCOc1cccc(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000436748285 981543739 /nfs/dbraw/zinc/54/37/39/981543739.db2.gz ONPDIWIFMPYQLF-UHFFFAOYSA-N -1 3 411.502 3.807 20 0 HHADHM COC(=O)C[C@H](NC(=O)c1cc(NC(C)=O)ccc1[O-])c1ccc2ccccc2c1 ZINC000436770629 981554490 /nfs/dbraw/zinc/55/44/90/981554490.db2.gz PRVXUUVVCDGHNQ-FQEVSTJZSA-N -1 3 406.438 3.538 20 0 HHADHM Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436771984 981554969 /nfs/dbraw/zinc/55/49/69/981554969.db2.gz YSUSNDCMXOAYPB-SFHVURJKSA-N -1 3 410.514 3.576 20 0 HHADHM CN(c1ccccc1NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)C1CCCC1 ZINC000436777517 981557185 /nfs/dbraw/zinc/55/71/85/981557185.db2.gz OFJZIGSEIOCCNJ-UHFFFAOYSA-N -1 3 422.529 3.761 20 0 HHADHM CC(C)(C)OCc1ccccc1C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436778424 981557710 /nfs/dbraw/zinc/55/77/10/981557710.db2.gz GVBAKOLCZLLLQW-UHFFFAOYSA-N -1 3 410.514 3.742 20 0 HHADHM C[C@@H](Sc1ccccc1Cl)C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436779600 981558262 /nfs/dbraw/zinc/55/82/62/981558262.db2.gz WZYYMNNJEVAFIJ-CQSZACIVSA-N -1 3 404.919 3.511 20 0 HHADHM CC(C)Cc1ccc(C(=O)CCC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436781936 981558644 /nfs/dbraw/zinc/55/86/44/981558644.db2.gz WAAHJLXWWWKEMP-UHFFFAOYSA-N -1 3 422.525 3.538 20 0 HHADHM CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000436782665 981559441 /nfs/dbraw/zinc/55/94/41/981559441.db2.gz OUAODPSLAHULNQ-UHFFFAOYSA-N -1 3 424.284 3.758 20 0 HHADHM COC(=O)C[C@@H](NC(=O)c1cc(NC(C)=O)ccc1[O-])c1ccc(C(C)(C)C)cc1 ZINC000436787661 981561411 /nfs/dbraw/zinc/56/14/11/981561411.db2.gz PKSKOJXJGQVVQO-LJQANCHMSA-N -1 3 412.486 3.682 20 0 HHADHM CC(C)(C)c1ccc(CCCC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436792668 981564142 /nfs/dbraw/zinc/56/41/42/981564142.db2.gz OTEAHOQTLIQMRO-UHFFFAOYSA-N -1 3 408.542 3.997 20 0 HHADHM Cc1nc(-c2ccccc2)sc1CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436797874 981566930 /nfs/dbraw/zinc/56/69/30/981566930.db2.gz PTTYXZFKOAEXLM-SFHVURJKSA-N -1 3 421.522 3.745 20 0 HHADHM O=C(NCC1(c2ccc(F)cc2)CCCC1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436798761 981567573 /nfs/dbraw/zinc/56/75/73/981567573.db2.gz MVPNLQWDHGZCDE-HXUWFJFHSA-N -1 3 410.489 3.764 20 0 HHADHM O=C(C[C@H](c1ccccc1)C(F)(F)F)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436805896 981570349 /nfs/dbraw/zinc/57/03/49/981570349.db2.gz DYHYLBKLZIMMHC-GOSISDBHSA-N -1 3 420.431 3.849 20 0 HHADHM CCCn1c(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc2ccccc21 ZINC000436814969 981573372 /nfs/dbraw/zinc/57/33/72/981573372.db2.gz JLALDOBIPIAYNZ-UHFFFAOYSA-N -1 3 405.498 3.792 20 0 HHADHM Cc1coc(-c2ccc(C)c(NC(=O)N3CCN(C(=O)c4ccccc4[O-])CC3)c2)n1 ZINC000436817092 981574601 /nfs/dbraw/zinc/57/46/01/981574601.db2.gz QRKHBBATTYCQEQ-UHFFFAOYSA-N -1 3 420.469 3.654 20 0 HHADHM CCc1ccc(C(=O)N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)c([O-])c1 ZINC000436820822 981575854 /nfs/dbraw/zinc/57/58/54/981575854.db2.gz SOILBFGXPDURME-UHFFFAOYSA-N -1 3 406.404 3.572 20 0 HHADHM COCC[C@@H]1CCCCN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000436820533 981575910 /nfs/dbraw/zinc/57/59/10/981575910.db2.gz RRZBTHOKMGWITR-WMZHIEFXSA-N -1 3 424.541 3.919 20 0 HHADHM O=C(COc1ccccc1NC(=O)c1cc2c(cc1[O-])CCCC2)Nc1cccnc1 ZINC000436819865 981576014 /nfs/dbraw/zinc/57/60/14/981576014.db2.gz OVRHCTBJDOCCME-UHFFFAOYSA-N -1 3 417.465 3.936 20 0 HHADHM Cc1cccc(CCCNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)n1 ZINC000436826431 981578403 /nfs/dbraw/zinc/57/84/03/981578403.db2.gz PNRIBDAPSMZZON-HSZRJFAPSA-N -1 3 417.509 3.706 20 0 HHADHM Cc1cccc(CCCNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)n1 ZINC000436826432 981578578 /nfs/dbraw/zinc/57/85/78/981578578.db2.gz PNRIBDAPSMZZON-QHCPKHFHSA-N -1 3 417.509 3.706 20 0 HHADHM CCc1ccc(C(=O)N2CCN(C(=O)c3cc4sccc4s3)CC2)c([O-])c1 ZINC000436834118 981581610 /nfs/dbraw/zinc/58/16/10/981581610.db2.gz YHLFHXOSJMMYDJ-UHFFFAOYSA-N -1 3 400.525 3.829 20 0 HHADHM O=C(Nc1cc(Cl)ccc1OC[C@H]1CCCCO1)c1cc2c(cc1[O-])OCO2 ZINC000436836860 981583742 /nfs/dbraw/zinc/58/37/42/981583742.db2.gz FTSWZKGSXNLOQE-CYBMUJFWSA-N -1 3 405.834 3.975 20 0 HHADHM Cc1ccc2[nH]cc(CCC(=O)NC3CCN(C(=O)c4ccccc4[O-])CC3)c2c1 ZINC000436841192 981585308 /nfs/dbraw/zinc/58/53/08/981585308.db2.gz SPYPHHWICDGHMM-UHFFFAOYSA-N -1 3 405.498 3.536 20 0 HHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000436841630 981585700 /nfs/dbraw/zinc/58/57/00/981585700.db2.gz VYSNVAQMANWHTJ-LJQANCHMSA-N -1 3 402.498 3.998 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)N2CCC([C@@H](F)c3ccccc3F)CC2)c([O-])c1 ZINC000436842891 981586300 /nfs/dbraw/zinc/58/63/00/981586300.db2.gz XYYIXHQNWXRIEC-JOCHJYFZSA-N -1 3 416.468 3.909 20 0 HHADHM O=C(c1ccccc1[O-])N1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2Cl)CC1 ZINC000436844215 981586696 /nfs/dbraw/zinc/58/66/96/981586696.db2.gz DYYGUPVXSLYBLX-HZPDHXFCSA-N -1 3 419.308 3.787 20 0 HHADHM O=C(c1ccc(Oc2ccccc2)cc1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436855076 981593452 /nfs/dbraw/zinc/59/34/52/981593452.db2.gz OQHQXSBLTMHRQX-UHFFFAOYSA-N -1 3 402.450 3.783 20 0 HHADHM C[C@@H](NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1cccc(O)c1 ZINC000436875541 981598800 /nfs/dbraw/zinc/59/88/00/981598800.db2.gz YAXOVCXDVQRQSI-ZHRRBRCNSA-N -1 3 404.466 3.836 20 0 HHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2Cc3cc(Br)ccc3C[C@@H]2C)c1 ZINC000436883371 981600630 /nfs/dbraw/zinc/60/06/30/981600630.db2.gz DZQCTWSJHIPDQM-NSHDSACASA-N -1 3 403.276 3.700 20 0 HHADHM C[C@H](Oc1ccc(C(=O)NCCNC(=O)c2ccc([O-])cc2)cc1)c1ccccc1 ZINC000436885627 981601438 /nfs/dbraw/zinc/60/14/38/981601438.db2.gz HWGLGVNXOXEVGE-KRWDZBQOSA-N -1 3 404.466 3.692 20 0 HHADHM CC(C)c1ccc(C[C@H](C)NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000436886524 981601456 /nfs/dbraw/zinc/60/14/56/981601456.db2.gz SKWSYOKASVFLKY-SFHVURJKSA-N -1 3 409.530 3.614 20 0 HHADHM CC(C)[C@H](C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1cccc(Cl)c1 ZINC000436886764 981601833 /nfs/dbraw/zinc/60/18/33/981601833.db2.gz OMPGWQALORZNLR-FQEVSTJZSA-N -1 3 400.906 3.770 20 0 HHADHM COc1ccc2sc(C(=O)N3CCN(C(=O)c4ccccc4[O-])CC3)c(C)c2c1 ZINC000436888611 981602100 /nfs/dbraw/zinc/60/21/00/981602100.db2.gz UULADKHHIKWWFK-UHFFFAOYSA-N -1 3 410.495 3.522 20 0 HHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000436889127 981602619 /nfs/dbraw/zinc/60/26/19/981602619.db2.gz PLNSUWFBGNIDNQ-NZQKXSOJSA-N -1 3 418.537 3.793 20 0 HHADHM O=C(CCCc1cccc(C(F)(F)F)c1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436894984 981604502 /nfs/dbraw/zinc/60/45/02/981604502.db2.gz AGPLRKHRDOJPEQ-UHFFFAOYSA-N -1 3 420.431 3.718 20 0 HHADHM [O-]c1cc2c(cc1-c1nc(Cc3ccc(OCc4ccncc4)cc3)no1)OCO2 ZINC000436902616 981608437 /nfs/dbraw/zinc/60/84/37/981608437.db2.gz KFDFDDNLIIFRBA-UHFFFAOYSA-N -1 3 403.394 3.736 20 0 HHADHM COc1ccccc1CN(C)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436903714 981609309 /nfs/dbraw/zinc/60/93/09/981609309.db2.gz NVXWFRAQYLHVHA-QFIPXVFZSA-N -1 3 418.493 3.921 20 0 HHADHM CC(=O)Nc1ccc(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cc1 ZINC000436907901 981613128 /nfs/dbraw/zinc/61/31/28/981613128.db2.gz ZFGVNUWUSUWWRB-JOCHJYFZSA-N -1 3 417.465 3.851 20 0 HHADHM CCOc1ccc(CNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cc1 ZINC000436912174 981617540 /nfs/dbraw/zinc/61/75/40/981617540.db2.gz GPFOLPYRZUUSDS-QHCPKHFHSA-N -1 3 418.493 3.969 20 0 HHADHM CC(C)COC1CCN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC1 ZINC000436914314 981620044 /nfs/dbraw/zinc/62/00/44/981620044.db2.gz YUTDHTDNTNWFMB-HSZRJFAPSA-N -1 3 424.541 3.917 20 0 HHADHM Cn1cccc1[C@@H]1CCCN1C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436916500 981622088 /nfs/dbraw/zinc/62/20/88/981622088.db2.gz WUQJMDCBSJLPEK-GGAORHGYSA-N -1 3 417.509 3.956 20 0 HHADHM CC(C)Cn1nccc1NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436917425 981622698 /nfs/dbraw/zinc/62/26/98/981622698.db2.gz ZDIQRUQRPVLNAE-HXUWFJFHSA-N -1 3 406.486 3.745 20 0 HHADHM COc1ccc([O-])c(-c2nc(Cc3cc(Br)c4c(c3)OCCO4)no2)c1 ZINC000436917617 981622723 /nfs/dbraw/zinc/62/27/23/981622723.db2.gz CARQUVDXJJDSRJ-UHFFFAOYSA-N -1 3 419.231 3.575 20 0 HHADHM O=C(COc1cccc(-c2noc(-c3cc4ccccc4cc3[O-])n2)c1)NC1CC1 ZINC000436919658 981623687 /nfs/dbraw/zinc/62/36/87/981623687.db2.gz MJJRYWIXWGBBSK-UHFFFAOYSA-N -1 3 401.422 3.920 20 0 HHADHM Cc1ccc(C(=O)N(CCc2ccc(Cl)cc2)C[C@@H](O)C(F)(F)F)c([O-])c1 ZINC000436920694 981625427 /nfs/dbraw/zinc/62/54/27/981625427.db2.gz AHCZNXSPCNKRLH-QGZVFWFLSA-N -1 3 401.812 3.962 20 0 HHADHM O=C(NCCNC(=O)c1ccc2c(ccn2Cc2ccccc2)c1)c1ccc([O-])cc1 ZINC000436925964 981627707 /nfs/dbraw/zinc/62/77/07/981627707.db2.gz HZJSHXMYQKQVRV-UHFFFAOYSA-N -1 3 413.477 3.555 20 0 HHADHM CNC(=O)COc1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])c(C)c1 ZINC000436931131 981631024 /nfs/dbraw/zinc/63/10/24/981631024.db2.gz ZMGHSWQCNUDKPD-UHFFFAOYSA-N -1 3 420.465 3.657 20 0 HHADHM Cc1ccc(-c2nc(C(=O)NC3CCN(C(=O)c4ccccc4[O-])CC3)cs2)cc1 ZINC000436944356 981637125 /nfs/dbraw/zinc/63/71/25/981637125.db2.gz JSBMJIRIFYNKBJ-UHFFFAOYSA-N -1 3 421.522 3.859 20 0 HHADHM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436946298 981638480 /nfs/dbraw/zinc/63/84/80/981638480.db2.gz RKDYPECQEXKRLQ-HNNXBMFYSA-N -1 3 416.905 3.542 20 0 HHADHM C[C@H](Sc1ccccc1Cl)C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436948573 981639273 /nfs/dbraw/zinc/63/92/73/981639273.db2.gz XANIBYWQGZMMOD-AWEZNQCLSA-N -1 3 418.946 3.947 20 0 HHADHM CCC[C@H]1CCc2nc(NC(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])sc2C1 ZINC000436950622 981641313 /nfs/dbraw/zinc/64/13/13/981641313.db2.gz ZZKCDLIQHRCBLH-YOEHRIQHSA-N -1 3 413.543 3.997 20 0 HHADHM O=C(NCC[C@H](c1ccccc1)C(F)(F)F)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436955370 981645144 /nfs/dbraw/zinc/64/51/44/981645144.db2.gz KJUOYICEVWYQHK-MSOLQXFVSA-N -1 3 420.431 3.849 20 0 HHADHM O=C(NCc1ccccn1)c1cccc(NC(=O)c2ccc3c(c2[O-])CCCC3)c1 ZINC000436957939 981646675 /nfs/dbraw/zinc/64/66/75/981646675.db2.gz YJTGWAYESACRHY-UHFFFAOYSA-N -1 3 401.466 3.848 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2C[C@@H](c3ccccc3)OC[C@@H]2C)c1 ZINC000436958372 981647369 /nfs/dbraw/zinc/64/73/69/981647369.db2.gz AAZNDCDOFCNLDR-QKKBWIMNSA-N -1 3 421.453 3.543 20 0 HHADHM COc1ccc(F)cc1[C@H](C)NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000436959031 981647882 /nfs/dbraw/zinc/64/78/82/981647882.db2.gz LEOPQUWXCKFEIY-NSHDSACASA-N -1 3 413.405 3.580 20 0 HHADHM COc1ccc(F)cc1[C@@H](C)NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000436959030 981648011 /nfs/dbraw/zinc/64/80/11/981648011.db2.gz LEOPQUWXCKFEIY-LLVKDONJSA-N -1 3 413.405 3.580 20 0 HHADHM CC[C@H](Cc1ccccc1Br)N(C)C(=O)c1cc2c(cc1[O-])OCO2 ZINC000436963661 981651093 /nfs/dbraw/zinc/65/10/93/981651093.db2.gz FBNMFRRNBNBBMG-CYBMUJFWSA-N -1 3 406.276 3.977 20 0 HHADHM CCc1cccc2c1OCC[C@@H]2NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000436967840 981654414 /nfs/dbraw/zinc/65/44/14/981654414.db2.gz ZIJFZXTVJKGAFV-IBGZPJMESA-N -1 3 421.453 3.757 20 0 HHADHM Cc1onc(-c2ccccc2C)c1C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436971156 981656306 /nfs/dbraw/zinc/65/63/06/981656306.db2.gz IMKMWTOIWXBSFZ-UHFFFAOYSA-N -1 3 419.481 3.699 20 0 HHADHM CN(C(=O)c1cc(CCc2ccccc2)ccc1[O-])c1ccc(N2CCOCC2)nc1 ZINC000436976412 981661183 /nfs/dbraw/zinc/66/11/83/981661183.db2.gz BLQGHNCJQGQION-UHFFFAOYSA-N -1 3 417.509 3.686 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC[C@H](c2cccnc2)C(C)C)c1 ZINC000436978228 981662850 /nfs/dbraw/zinc/66/28/50/981662850.db2.gz UXCAZCUQVPZTNE-SFHVURJKSA-N -1 3 408.458 3.506 20 0 HHADHM CCN(C(=O)c1ccc(Br)cc1[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000436980285 981664492 /nfs/dbraw/zinc/66/44/92/981664492.db2.gz MYEYQRPWPFKCFY-KRWDZBQOSA-N -1 3 403.320 3.891 20 0 HHADHM COC1CCC(CCNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC1 ZINC000436983968 981666607 /nfs/dbraw/zinc/66/66/07/981666607.db2.gz BCDMREXMBJKIBF-UWFXLKAESA-N -1 3 424.541 3.965 20 0 HHADHM CSc1ccc(NC(=O)Cc2csc(NC(=O)c3cc(C)ccc3[O-])n2)nc1 ZINC000436983549 981666907 /nfs/dbraw/zinc/66/69/07/981666907.db2.gz XJCYLFIAAXAIGC-UHFFFAOYSA-N -1 3 414.512 3.708 20 0 HHADHM CC(C)N(Cc1ccc(NC(=O)C(=O)c2ccc([O-])cc2)cc1)C[C@@H]1CCCCO1 ZINC000436984947 981667423 /nfs/dbraw/zinc/66/74/23/981667423.db2.gz CBPSBYSHAHIHPQ-QFIPXVFZSA-N -1 3 410.514 3.993 20 0 HHADHM CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436986755 981669524 /nfs/dbraw/zinc/66/95/24/981669524.db2.gz GXCRNNHSVSDGNX-UNMCSNQZSA-N -1 3 405.498 3.654 20 0 HHADHM CCCCOc1ccc(C(=O)N2CCCN(C(=O)CCc3ccccc3)CC2)c([O-])c1 ZINC000436988884 981670747 /nfs/dbraw/zinc/67/07/47/981670747.db2.gz PUGSTUGMDKGAKJ-UHFFFAOYSA-N -1 3 424.541 3.878 20 0 HHADHM CCCCOc1ccc(C(=O)N2CCC(NC(=O)CC3CCCC3)CC2)c([O-])c1 ZINC000436989199 981670847 /nfs/dbraw/zinc/67/08/47/981670847.db2.gz ZFOHPQQYQGWDKV-UHFFFAOYSA-N -1 3 402.535 3.872 20 0 HHADHM CC(C)[C@H]1C[C@@H](NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c2ccccc21 ZINC000448282780 981671273 /nfs/dbraw/zinc/67/12/73/981671273.db2.gz IJHYZBLULHSBIY-FGZHOGPDSA-N -1 3 407.514 3.744 20 0 HHADHM Cc1cccc(CN(C)C(=O)Cc2csc(NC(=O)c3cc(C)ccc3[O-])n2)c1 ZINC000436990245 981671814 /nfs/dbraw/zinc/67/18/14/981671814.db2.gz UWLGKLKFCXEOJQ-UHFFFAOYSA-N -1 3 409.511 3.919 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NC[C@@H]1CCC(F)(F)C1 ZINC000437002749 981679146 /nfs/dbraw/zinc/67/91/46/981679146.db2.gz SIRDXJGGBSKFJD-BEFAXECRSA-N -1 3 402.441 3.805 20 0 HHADHM CC(C)[C@@H]([N-]S(=O)(=O)c1cccc2ccccc21)c1nc(-c2cccnc2)no1 ZINC000437210171 981866789 /nfs/dbraw/zinc/86/67/89/981866789.db2.gz ZJKNPOPOMXFAPD-LJQANCHMSA-N -1 3 408.483 3.960 20 0 HHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1ccc(F)c(Br)c1 ZINC000437213806 981870302 /nfs/dbraw/zinc/87/03/02/981870302.db2.gz LBEZGCNQMKBYJL-UHFFFAOYSA-N -1 3 417.238 3.635 20 0 HHADHM O=S(=O)([N-]Cc1nc(C2(c3ccccc3)CCC2)no1)c1ccc(Cl)s1 ZINC000460139198 981913310 /nfs/dbraw/zinc/91/33/10/981913310.db2.gz NOUFHDRBDXHQOL-UHFFFAOYSA-N -1 3 409.920 3.733 20 0 HHADHM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(-c2nc(N(C)C)no2)c(Cl)cc1Cl ZINC000460145423 981918074 /nfs/dbraw/zinc/91/80/74/981918074.db2.gz HOBJLUZOHAZCKS-SECBINFHSA-N -1 3 407.323 3.576 20 0 HHADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000437274219 981930018 /nfs/dbraw/zinc/93/00/18/981930018.db2.gz GNRMXXIFQWEVNR-JKSUJKDBSA-N -1 3 420.943 3.505 20 0 HHADHM O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000437285471 981939343 /nfs/dbraw/zinc/93/93/43/981939343.db2.gz MSOOEHDCLMQHJE-BMGDILEWSA-N -1 3 419.308 3.976 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccnc(N4CC[C@H](C)C4)c3)c2)n1 ZINC000437677250 982291774 /nfs/dbraw/zinc/29/17/74/982291774.db2.gz LUMCPGAVQNNIGR-HNNXBMFYSA-N -1 3 403.486 3.905 20 0 HHADHM Cc1nc(C)c(CCC(=O)Nc2nc3ccccc3n2-c2ccccc2F)c(=O)[n-]1 ZINC000460505514 982294256 /nfs/dbraw/zinc/29/42/56/982294256.db2.gz YFLOMWYVZBJRHX-UHFFFAOYSA-N -1 3 405.433 3.848 20 0 HHADHM COC(=O)C[C@H](NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)C1CCCCC1 ZINC000437777728 982351055 /nfs/dbraw/zinc/35/10/55/982351055.db2.gz PQWGQRACVXRJFF-IBGZPJMESA-N -1 3 412.490 3.791 20 0 HHADHM O=C(Nc1ccc(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)cc1)c1ccncc1 ZINC000437946855 982479052 /nfs/dbraw/zinc/47/90/52/982479052.db2.gz KVELIMCCOSJXEP-UHFFFAOYSA-N -1 3 423.281 3.837 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(-n4cncn4)cc3C)c2)n1 ZINC000460746290 982504563 /nfs/dbraw/zinc/50/45/63/982504563.db2.gz HCEJHKVCHMLOMJ-UHFFFAOYSA-N -1 3 400.442 3.553 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCc2ccco2)c(Br)c1 ZINC000460890437 982627957 /nfs/dbraw/zinc/62/79/57/982627957.db2.gz AUGWPRFRMPIDOD-UHFFFAOYSA-N -1 3 423.126 3.634 20 0 HHADHM C[C@H]1CCN(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000438190133 982642408 /nfs/dbraw/zinc/64/24/08/982642408.db2.gz NGIMQAQZTUVNPK-APPDUMDISA-N -1 3 402.372 3.812 20 0 HHADHM O=S(=O)([N-]Cc1ncc(-c2ccccc2)cn1)c1ccc(F)cc1C(F)(F)F ZINC000460924958 982662900 /nfs/dbraw/zinc/66/29/00/982662900.db2.gz HQVOVOIPUVDQEY-UHFFFAOYSA-N -1 3 411.380 3.780 20 0 HHADHM CCc1ncc(S(=O)(=O)[N-]Cc2cccc(NC(=O)C3CCCCC3)c2)s1 ZINC000460941920 982679566 /nfs/dbraw/zinc/67/95/66/982679566.db2.gz ZCZDGRLIFCHSDT-UHFFFAOYSA-N -1 3 407.561 3.703 20 0 HHADHM CC(C)(C)Oc1ccc(NC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000438390923 982761809 /nfs/dbraw/zinc/76/18/09/982761809.db2.gz JIJBZTVXCJADEG-UHFFFAOYSA-N -1 3 411.502 3.996 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1cc(Cl)ccc1Br ZINC000461119983 982816128 /nfs/dbraw/zinc/81/61/28/982816128.db2.gz AMDWVBYJJKDKAN-UHFFFAOYSA-N -1 3 422.659 3.829 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000461194988 982911323 /nfs/dbraw/zinc/91/13/23/982911323.db2.gz NFMXTQVTRDCVFK-DYESRHJHSA-N -1 3 416.525 3.725 20 0 HHADHM COc1cnccc1[C@@H](C)NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000438616807 982940636 /nfs/dbraw/zinc/94/06/36/982940636.db2.gz FLPQNNOSOVLDPW-IERDGZPVSA-N -1 3 419.481 3.534 20 0 HHADHM COCCOCc1ccc(CNC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)cc1 ZINC000461256996 982962492 /nfs/dbraw/zinc/96/24/92/982962492.db2.gz PWRFJOZNCKEXSU-UHFFFAOYSA-N -1 3 422.485 3.642 20 0 HHADHM C[C@H](c1nnc(-c2cccc(Cl)c2)o1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000438696771 983009080 /nfs/dbraw/zinc/00/90/80/983009080.db2.gz NYWSLUUOTCSJKA-CQSZACIVSA-N -1 3 412.877 3.615 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(Br)c2)cc1NC(C)=O ZINC000438789167 983071637 /nfs/dbraw/zinc/07/16/37/983071637.db2.gz AITYUDBKGJMVTF-UHFFFAOYSA-N -1 3 413.293 3.525 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2F)CCC(=O)N3)cc1Br ZINC000438800092 983078291 /nfs/dbraw/zinc/07/82/91/983078291.db2.gz DLYOFDOHEHBDFJ-UHFFFAOYSA-N -1 3 413.268 3.582 20 0 HHADHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)Nc1cc(C2CC2)ccn1 ZINC000461430379 983093496 /nfs/dbraw/zinc/09/34/96/983093496.db2.gz PZQFMUIYTODFST-UHFFFAOYSA-N -1 3 402.410 3.517 20 0 HHADHM Cc1ccc(C(=O)NCC2CC2)cc1[N-]S(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000438851570 983118166 /nfs/dbraw/zinc/11/81/66/983118166.db2.gz PLPGCQCJMBZVCH-UHFFFAOYSA-N -1 3 424.469 3.580 20 0 HHADHM CC[C@@H](CNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1)OC ZINC000461467028 983129529 /nfs/dbraw/zinc/12/95/29/983129529.db2.gz WVTVBAUYVLOKBC-IBGZPJMESA-N -1 3 418.559 3.876 20 0 HHADHM C[C@@H](c1ccncc1)N1CCC([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000438946920 983171652 /nfs/dbraw/zinc/17/16/52/983171652.db2.gz JIFQNXMSUHAXKO-ZDUSSCGKSA-N -1 3 414.358 3.892 20 0 HHADHM Cc1ccccc1CS(=O)(=O)[N-]C1(c2noc([C@H]3CCOC3)n2)CCCCCC1 ZINC000438952475 983174767 /nfs/dbraw/zinc/17/47/67/983174767.db2.gz YAPJTORYQNBUOT-KRWDZBQOSA-N -1 3 419.547 3.551 20 0 HHADHM C[C@@H](c1ccncc1)N1CCC([N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000438956371 983177392 /nfs/dbraw/zinc/17/73/92/983177392.db2.gz HCNLRKWQOKPNPI-ZDUSSCGKSA-N -1 3 414.358 3.892 20 0 HHADHM O=C(Nc1ccc(Oc2ccccn2)cc1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000439052334 983228536 /nfs/dbraw/zinc/22/85/36/983228536.db2.gz DXTSDYSXCBKOIW-LJQANCHMSA-N -1 3 403.438 3.823 20 0 HHADHM O=C(Nc1ccc(F)c(Br)c1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000439060476 983232362 /nfs/dbraw/zinc/23/23/62/983232362.db2.gz PMKGNEDNHDNPNY-OAHLLOKOSA-N -1 3 407.239 3.537 20 0 HHADHM Cn1c2cc([O-])c(NC(=O)C(Cc3ccccc3)Cc3ccccc3)cc2n(C)c1=O ZINC000461605163 983233598 /nfs/dbraw/zinc/23/35/98/983233598.db2.gz BRKMDYGFWYICKI-UHFFFAOYSA-N -1 3 415.493 3.623 20 0 HHADHM Cn1c(=O)n(C)c2cc(NC(=O)c3csc(-c4cccc(Cl)c4)n3)c([O-])cc21 ZINC000461614478 983239825 /nfs/dbraw/zinc/23/98/25/983239825.db2.gz AGKNSOXVPDRCQJ-UHFFFAOYSA-N -1 3 414.874 3.612 20 0 HHADHM Cn1c2cc([O-])c(NC(=O)CSc3cc(Cl)ccc3Cl)cc2n(C)c1=O ZINC000461616417 983241120 /nfs/dbraw/zinc/24/11/20/983241120.db2.gz WJSAYAOXDVXHGM-UHFFFAOYSA-N -1 3 412.298 3.620 20 0 HHADHM C[C@@H]1CCC[C@@H](OCCCCCC(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)C1 ZINC000461621130 983244798 /nfs/dbraw/zinc/24/47/98/983244798.db2.gz YVWPJAWYJKHNQW-HZPDHXFCSA-N -1 3 403.523 3.677 20 0 HHADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@H](C)c1ccc(Cl)cn1 ZINC000439186867 983298375 /nfs/dbraw/zinc/29/83/75/983298375.db2.gz CLZZRMRLWJDEBG-MRVPVSSYSA-N -1 3 423.691 3.685 20 0 HHADHM O=S(=O)([N-]Cc1noc(-c2cccc(F)c2)n1)c1ccc(F)cc1C(F)(F)F ZINC000439204648 983309900 /nfs/dbraw/zinc/30/99/00/983309900.db2.gz RCZVOMLDRCPFCK-UHFFFAOYSA-N -1 3 419.331 3.512 20 0 HHADHM O=S(=O)([N-]c1ccc(F)c(-c2nc[nH]n2)c1)c1ccc(F)cc1C(F)(F)F ZINC000439247607 983330613 /nfs/dbraw/zinc/33/06/13/983330613.db2.gz NPPFLOCWBOBIGD-UHFFFAOYSA-N -1 3 404.320 3.570 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3c(C)ccn3C)ccc2C)cc1 ZINC000439249570 983331393 /nfs/dbraw/zinc/33/13/93/983331393.db2.gz RXLPCCHKODAGSQ-UHFFFAOYSA-N -1 3 413.499 3.704 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]c2ccccc2I)c(F)cc1F ZINC000440288637 983707609 /nfs/dbraw/zinc/70/76/09/983707609.db2.gz FYCPBXWOUFNIMX-UHFFFAOYSA-N -1 3 409.195 3.679 20 0 HHADHM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(CCC(F)(F)F)cc3)ccc21 ZINC000440300404 983711277 /nfs/dbraw/zinc/71/12/77/983711277.db2.gz AYVGCLGVKNOWNF-UHFFFAOYSA-N -1 3 412.433 3.891 20 0 HHADHM CC(C)S(=O)(=O)Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)c1 ZINC000440301760 983711595 /nfs/dbraw/zinc/71/15/95/983711595.db2.gz HEEPPBYQONWWLP-UHFFFAOYSA-N -1 3 423.556 3.524 20 0 HHADHM O=C(NCCCC(F)(F)F)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000440556331 983795457 /nfs/dbraw/zinc/79/54/57/983795457.db2.gz SPHGEVXMIWGIRZ-UHFFFAOYSA-N -1 3 404.385 3.699 20 0 HHADHM Cc1ccc(CCN(Cc2ccco2)C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000440711573 983863648 /nfs/dbraw/zinc/86/36/48/983863648.db2.gz CBAOWNBFNSEJFQ-UHFFFAOYSA-N -1 3 403.438 3.748 20 0 HHADHM CS(=O)(=O)CC1(CC(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)CC1 ZINC000440941360 983991470 /nfs/dbraw/zinc/99/14/70/983991470.db2.gz JUBCGZJHLXLLKL-UHFFFAOYSA-N -1 3 416.524 3.822 20 0 HHADHM O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)Nc1cccc(C(F)F)c1 ZINC000440974950 984007356 /nfs/dbraw/zinc/00/73/56/984007356.db2.gz HLUGYLRHPSBTKA-UHFFFAOYSA-N -1 3 421.828 3.517 20 0 HHADHM CC(C)C[C@@H](C(=O)Nc1ccc([O-])c(C(F)(F)F)c1)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000440987301 984013126 /nfs/dbraw/zinc/01/31/26/984013126.db2.gz HFUHBDCJRXSTJI-LZWOXQAQSA-N -1 3 424.419 3.715 20 0 HHADHM O=C(CCC(=O)N1CCC(c2ccccc2)=N1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000441011385 984021474 /nfs/dbraw/zinc/02/14/74/984021474.db2.gz QAZSXEJSLHRXDU-UHFFFAOYSA-N -1 3 405.376 3.766 20 0 HHADHM CCC(C)(C)[C@H]1CCCN1C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000441593738 984344274 /nfs/dbraw/zinc/34/42/74/984344274.db2.gz TZNSOUVSLWAATM-GOSISDBHSA-N -1 3 407.511 3.995 20 0 HHADHM Cn1c2cc([O-])c(NC(=O)C3(c4cccc(C(F)(F)F)c4)CCC3)cc2n(C)c1=O ZINC000461633071 984653694 /nfs/dbraw/zinc/65/36/94/984653694.db2.gz SAXWQNLXRAPFEZ-UHFFFAOYSA-N -1 3 419.403 3.662 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3oc(C)nc3C)ccc2C)cc1 ZINC000462055107 985029176 /nfs/dbraw/zinc/02/91/76/985029176.db2.gz PELZYBVXYCVBSW-UHFFFAOYSA-N -1 3 415.471 3.662 20 0 HHADHM O=S(=O)(CC12CCC(CC1)C2)[N-]C1(c2noc([C@H]3CCCO3)n2)CCCCCC1 ZINC000462094219 985065025 /nfs/dbraw/zinc/06/50/25/985065025.db2.gz WNCSBRIHZCEWSX-OHTSDLOESA-N -1 3 423.579 3.970 20 0 HHADHM CN(C)C(=O)c1ccc(S(=O)(=O)[N-][C@H](c2ccc(Cl)cc2)C(F)(F)F)cc1 ZINC000442609640 985089892 /nfs/dbraw/zinc/08/98/92/985089892.db2.gz ZGZDTYQZUAATSH-OAHLLOKOSA-N -1 3 420.840 3.624 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H]2CCOc3ccc(F)cc32)s1 ZINC000462138426 985109367 /nfs/dbraw/zinc/10/93/67/985109367.db2.gz KSIGLNBTNGKSBN-LBPRGKRZSA-N -1 3 406.298 3.760 20 0 HHADHM Cc1c(CNC(=O)NCc2nc(C(F)(F)F)n[n-]2)sc2ccc(Cl)cc12 ZINC000442656339 985132089 /nfs/dbraw/zinc/13/20/89/985132089.db2.gz TXRRCVWIIDRADC-UHFFFAOYSA-N -1 3 403.817 3.999 20 0 HHADHM O=S(=O)([N-][C@@H]1CCc2c1cccc2Br)c1cc(F)c(F)c(F)c1 ZINC000462160015 985134443 /nfs/dbraw/zinc/13/44/43/985134443.db2.gz STWHTTHYADBWKW-CQSZACIVSA-N -1 3 406.223 3.832 20 0 HHADHM C[C@H](CC(=O)Nc1ccc(Cc2nnn[n-]2)cc1)c1ccc(F)c(Br)c1 ZINC000462186685 985168906 /nfs/dbraw/zinc/16/89/06/985168906.db2.gz HHZSFRZDGZKEHQ-LLVKDONJSA-N -1 3 418.270 3.824 20 0 HHADHM C[C@H](CC(=O)Nc1ccc(Cc2nn[n-]n2)cc1)c1ccc(F)c(Br)c1 ZINC000462186685 985168914 /nfs/dbraw/zinc/16/89/14/985168914.db2.gz HHZSFRZDGZKEHQ-LLVKDONJSA-N -1 3 418.270 3.824 20 0 HHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ncccc1Oc1ccccc1 ZINC000442716420 985181889 /nfs/dbraw/zinc/18/18/89/985181889.db2.gz QUCZARXCUINPFU-UHFFFAOYSA-N -1 3 417.465 3.614 20 0 HHADHM O=S(=O)([N-][C@H]1CCO[C@H]1c1ccc(Cl)cc1)c1cnccc1C(F)(F)F ZINC000442734053 985192483 /nfs/dbraw/zinc/19/24/83/985192483.db2.gz DWWFYNYPOVLDNK-ZFWWWQNUSA-N -1 3 406.813 3.562 20 0 HHADHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2cnccc2C(F)(F)F)c2ccc(F)cc2O1 ZINC000442761360 985207111 /nfs/dbraw/zinc/20/71/11/985207111.db2.gz PREMZHJWMIFXOI-CYBMUJFWSA-N -1 3 404.385 3.820 20 0 HHADHM O=S(=O)([N-][C@H]1C[C@H]1c1ccccc1C(F)(F)F)c1cnccc1C(F)(F)F ZINC000442768277 985209248 /nfs/dbraw/zinc/20/92/48/985209248.db2.gz LEVFXQFTFILEHE-GWCFXTLKSA-N -1 3 410.339 3.954 20 0 HHADHM CO[C@H](c1ccc(Cl)cc1)[C@H](C)[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000442771470 985211107 /nfs/dbraw/zinc/21/11/07/985211107.db2.gz SDNJHUMXPVKBCO-BONVTDFDSA-N -1 3 408.829 3.808 20 0 HHADHM O=S(=O)([N-]CCCO[C@@H]1CCCc2ccccc21)c1cnccc1C(F)(F)F ZINC000442776025 985212686 /nfs/dbraw/zinc/21/26/86/985212686.db2.gz XOLICGFRNSZAFE-QGZVFWFLSA-N -1 3 414.449 3.863 20 0 HHADHM CCc1noc2ncc(S(=O)(=O)[N-]c3cc(F)cc(F)c3Br)cc12 ZINC000442835423 985237010 /nfs/dbraw/zinc/23/70/10/985237010.db2.gz DQJAFXIRDRHIIO-UHFFFAOYSA-N -1 3 418.219 3.627 20 0 HHADHM O=S(=O)([N-]Cc1ccnc(OC2CCCCC2)c1)c1cc(F)c(F)c(F)c1 ZINC000462260306 985247164 /nfs/dbraw/zinc/24/71/64/985247164.db2.gz UORARKPVTKMQGK-UHFFFAOYSA-N -1 3 400.422 3.689 20 0 HHADHM C[C@@H](NCC[N-]S(=O)(=O)c1ccc(F)cc1F)c1nc(-c2ccccc2)cs1 ZINC000442879100 985255822 /nfs/dbraw/zinc/25/58/22/985255822.db2.gz VQSYIWDQCMUXED-CYBMUJFWSA-N -1 3 423.510 3.717 20 0 HHADHM O=S(=O)([N-]CCN[C@@H](c1ccccc1)c1ccccn1)c1ccc(Cl)cc1F ZINC000442889335 985262296 /nfs/dbraw/zinc/26/22/96/985262296.db2.gz JZYZAYKHSQUFMT-FQEVSTJZSA-N -1 3 419.909 3.532 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H]2COc3c2ccc(C)c3C)s1 ZINC000462286638 985274090 /nfs/dbraw/zinc/27/40/90/985274090.db2.gz GUYKSJBKZDPFJS-ZDUSSCGKSA-N -1 3 402.335 3.848 20 0 HHADHM CN(Cc1csc2ccccc12)S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000442912401 985275429 /nfs/dbraw/zinc/27/54/29/985275429.db2.gz MLQDLYSOYMIJRX-UHFFFAOYSA-N -1 3 419.919 3.556 20 0 HHADHM CN(Cc1csc2ccccc12)S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000442912401 985275436 /nfs/dbraw/zinc/27/54/36/985275436.db2.gz MLQDLYSOYMIJRX-UHFFFAOYSA-N -1 3 419.919 3.556 20 0 HHADHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2Cl)C12CCC2 ZINC000462329104 985319475 /nfs/dbraw/zinc/31/94/75/985319475.db2.gz VBMSMWQGBDLFQU-ZIAGYGMSSA-N -1 3 408.745 3.729 20 0 HHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCc2c1cccc2Cl ZINC000443005690 985330963 /nfs/dbraw/zinc/33/09/63/985330963.db2.gz GLSLQTBLIWAIOZ-HNNXBMFYSA-N -1 3 400.283 3.746 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H](C)Cc1ccccc1F ZINC000443023722 985340989 /nfs/dbraw/zinc/34/09/89/985340989.db2.gz MJGJSTCQJGFVBV-LBPRGKRZSA-N -1 3 407.488 3.737 20 0 HHADHM CCc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3cc(C)ccc3OC)n2)cc1 ZINC000443028545 985343658 /nfs/dbraw/zinc/34/36/58/985343658.db2.gz VIMBEIHXRAPHAO-AWEZNQCLSA-N -1 3 401.488 3.656 20 0 HHADHM CCc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3c[nH]c4cccc(F)c43)n2)cc1 ZINC000443030037 985344696 /nfs/dbraw/zinc/34/46/96/985344696.db2.gz YDJMPCCLNJUBNK-GFCCVEGCSA-N -1 3 414.462 3.959 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000443068446 985359663 /nfs/dbraw/zinc/35/96/63/985359663.db2.gz KZSMNMVENSOGNG-NSHDSACASA-N -1 3 419.396 3.541 20 0 HHADHM CCCCc1nc2cc([N-]S(=O)(=O)c3cc4c5c(c3)CCCN5C(=O)C4)ccc2[nH]1 ZINC000462377218 985361762 /nfs/dbraw/zinc/36/17/62/985361762.db2.gz MHHXVZYKSNEFDF-UHFFFAOYSA-N -1 3 424.526 3.542 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]CC(C)(C)c1ccc(F)cc1Cl ZINC000443071759 985361822 /nfs/dbraw/zinc/36/18/22/985361822.db2.gz DAHPSBPRXCJNEE-UHFFFAOYSA-N -1 3 417.861 3.661 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C[C@H]1CCc2ccccc21 ZINC000443080094 985365472 /nfs/dbraw/zinc/36/54/72/985365472.db2.gz SGRKZZHZRAZNSF-CQSZACIVSA-N -1 3 401.509 3.696 20 0 HHADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@H](C)c1ccccc1Oc1ccccc1 ZINC000443089378 985369779 /nfs/dbraw/zinc/36/97/79/985369779.db2.gz UOHBKHFJJJOWCN-CYBMUJFWSA-N -1 3 418.496 3.762 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H](C)c1ccc(OC)c(F)c1 ZINC000443091808 985370860 /nfs/dbraw/zinc/37/08/60/985370860.db2.gz VERXRDMDQNJNSB-NSHDSACASA-N -1 3 423.487 3.875 20 0 HHADHM COC(=O)c1csc(S(=O)(=O)[N-]Cc2ccc(-c3cccc(OC)c3)cc2)c1 ZINC000462394192 985373796 /nfs/dbraw/zinc/37/37/96/985373796.db2.gz MAODRYVLCQCACG-UHFFFAOYSA-N -1 3 417.508 3.689 20 0 HHADHM COc1cccc([C@@H]2[C@H](NC(=O)c3cc(Cl)c([O-])c(OC)c3)CCN2C2CC2)c1 ZINC000443139427 985401030 /nfs/dbraw/zinc/40/10/30/985401030.db2.gz WTNNRSGQTNNGTQ-UYAOXDASSA-N -1 3 416.905 3.771 20 0 HHADHM O=S(=O)([N-][C@H](Cc1ccccc1)[C@H](O)C(F)F)c1cc(Cl)cc(Cl)c1 ZINC000443222639 985449951 /nfs/dbraw/zinc/44/99/51/985449951.db2.gz DYAOPBORHJTBIO-CABCVRRESA-N -1 3 410.269 3.509 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]CCc1ccc(C)c(OC)c1 ZINC000443231085 985454307 /nfs/dbraw/zinc/45/43/07/985454307.db2.gz IOCFRNAOYZRVLP-UHFFFAOYSA-N -1 3 419.524 3.526 20 0 HHADHM O=S(=O)([N-][C@H](CCO)c1ccccc1)c1cc(Br)ccc1Cl ZINC000443243011 985458505 /nfs/dbraw/zinc/45/85/05/985458505.db2.gz JNYIHHYJSKWJJT-CQSZACIVSA-N -1 3 404.713 3.505 20 0 HHADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@H](CC(C)C)c1ccc(Cl)cc1 ZINC000443249688 985459277 /nfs/dbraw/zinc/45/92/77/985459277.db2.gz OCAXXKJSIMVJJF-CYBMUJFWSA-N -1 3 402.925 3.649 20 0 HHADHM CCC[C@@H](CCO)C[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000443310567 985485329 /nfs/dbraw/zinc/48/53/29/985485329.db2.gz PLHWFUPNOBFYNM-JTQLQIEISA-N -1 3 418.275 3.545 20 0 HHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000443355894 985519036 /nfs/dbraw/zinc/51/90/36/985519036.db2.gz CLIWADDQKHXWFG-CQSZACIVSA-N -1 3 414.458 3.714 20 0 HHADHM C[C@@H](Cc1cccc(O)c1)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000443370438 985531275 /nfs/dbraw/zinc/53/12/75/985531275.db2.gz BYVLRPIFYJGFLC-JTQLQIEISA-N -1 3 404.713 3.718 20 0 HHADHM CO[C@@H]1CCN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)[C@@H](C)C1 ZINC000443381701 985540693 /nfs/dbraw/zinc/54/06/93/985540693.db2.gz QBKXOXDNMGREOU-GXSJLCMTSA-N -1 3 413.699 3.584 20 0 HHADHM COc1ccc(O[C@H](C)C[N-]S(=O)(=O)c2sc(C)cc2Br)cc1 ZINC000462600814 985545976 /nfs/dbraw/zinc/54/59/76/985545976.db2.gz GASLMWLJIRFVGJ-SNVBAGLBSA-N -1 3 420.350 3.573 20 0 HHADHM C[C@H](COCc1ccccc1)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000462625817 985568412 /nfs/dbraw/zinc/56/84/12/985568412.db2.gz YLKMBWOOFMHHTG-GFCCVEGCSA-N -1 3 418.740 3.986 20 0 HHADHM COc1cccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3cc(C)c(F)c(C)c3)n2)c1 ZINC000462652755 985592614 /nfs/dbraw/zinc/59/26/14/985592614.db2.gz DMKSNMRQPYXMHJ-CYBMUJFWSA-N -1 3 405.451 3.541 20 0 HHADHM COc1ccccc1-c1noc([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2C)n1 ZINC000462652492 985593160 /nfs/dbraw/zinc/59/31/60/985593160.db2.gz AJVLYMPZERGLHM-LBPRGKRZSA-N -1 3 407.879 3.747 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H](C)c2nc(C(C)(C)C)no2)s1 ZINC000462659778 985599311 /nfs/dbraw/zinc/59/93/11/985599311.db2.gz ISJJMAHMKLMEPY-MRVPVSSYSA-N -1 3 408.343 3.539 20 0 HHADHM COc1ccccc1-c1noc([C@@H](C)[N-]S(=O)(=O)c2ccc(SC)cc2)n1 ZINC000462667701 985606775 /nfs/dbraw/zinc/60/67/75/985606775.db2.gz SPOLJUYMZCKQDB-GFCCVEGCSA-N -1 3 405.501 3.507 20 0 HHADHM CCC[C@H]([N-]S(=O)(=O)c1sc(C)cc1Br)C(=O)OC(C)(C)C ZINC000462679715 985617668 /nfs/dbraw/zinc/61/76/68/985617668.db2.gz NVUPKXNKMRWABE-NSHDSACASA-N -1 3 412.371 3.608 20 0 HHADHM CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(OC(C)(C)C)cc3)ccc2O1 ZINC000443450621 985617911 /nfs/dbraw/zinc/61/79/11/985617911.db2.gz DCVZFHQIHPTHSI-IBGZPJMESA-N -1 3 419.499 3.531 20 0 HHADHM CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(O[C@@H](C)CC)cc3)ccc2O1 ZINC000443457713 985629118 /nfs/dbraw/zinc/62/91/18/985629118.db2.gz UJBQAQNHLCFWCN-VBKZILBWSA-N -1 3 419.499 3.531 20 0 HHADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)[C@H](O)Cc1ccccc1 ZINC000443481086 985655425 /nfs/dbraw/zinc/65/54/25/985655425.db2.gz DQOGMFIFHVJFBT-XHDPSFHLSA-N -1 3 407.841 3.629 20 0 HHADHM COc1ccc2nc(C3CC3)cc(C(=O)Nc3ccccc3[N-]S(C)(=O)=O)c2c1 ZINC000443484689 985659227 /nfs/dbraw/zinc/65/92/27/985659227.db2.gz MUCUTMLKWISFJM-UHFFFAOYSA-N -1 3 411.483 3.745 20 0 HHADHM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc(-c3ccc(OC)cc3)cc2)s1 ZINC000462714681 985660694 /nfs/dbraw/zinc/66/06/94/985660694.db2.gz OIXMHOYQVGYQBA-UHFFFAOYSA-N -1 3 417.508 3.689 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2cc(=O)[nH]c3ccccc23)s1 ZINC000443487942 985663173 /nfs/dbraw/zinc/66/31/73/985663173.db2.gz SLJRGMRADZPCGM-UHFFFAOYSA-N -1 3 413.318 3.551 20 0 HHADHM O=S(=O)(Cc1ncc(-c2ccccc2F)o1)c1nc(CCC2CCCC2)n[n-]1 ZINC000462962838 985908286 /nfs/dbraw/zinc/90/82/86/985908286.db2.gz JLGQOUMQVACXNA-UHFFFAOYSA-N -1 3 404.467 3.696 20 0 HHADHM O=S(=O)(Cc1ncc(-c2ccccc2F)o1)c1nnc(CCC2CCCC2)[n-]1 ZINC000462962838 985908297 /nfs/dbraw/zinc/90/82/97/985908297.db2.gz JLGQOUMQVACXNA-UHFFFAOYSA-N -1 3 404.467 3.696 20 0 HHADHM CC[C@@H](CS(=O)(=O)c1ccccc1)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000443734807 985947670 /nfs/dbraw/zinc/94/76/70/985947670.db2.gz TWRHDQXSJUIZLN-LBPRGKRZSA-N -1 3 422.355 3.524 20 0 HHADHM Cc1ccc(C(C)C)c(OCCC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000443807979 986005680 /nfs/dbraw/zinc/00/56/80/986005680.db2.gz XJDPVRIWYPJNHO-UHFFFAOYSA-N -1 3 410.514 3.578 20 0 HHADHM Cn1cc([N-]S(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)cc(Cl)c1=O ZINC000468336478 986031868 /nfs/dbraw/zinc/03/18/68/986031868.db2.gz AWAIHZAYXVCSFK-UHFFFAOYSA-N -1 3 417.314 3.672 20 0 HHADHM COc1cc(F)c([N-]C(=O)c2nccnc2C(=O)Nc2ccc(Cl)cc2)cc1F ZINC000468372650 986071648 /nfs/dbraw/zinc/07/16/48/986071648.db2.gz MUESIZBIZHJGAA-UHFFFAOYSA-N -1 3 418.787 3.921 20 0 HHADHM CS(=O)(=O)Nc1ccc(NC(=O)CCCc2ccc([O-])c(F)c2)cc1Cl ZINC000468404217 986103440 /nfs/dbraw/zinc/10/34/40/986103440.db2.gz BNYVIEABJOLVIE-UHFFFAOYSA-N 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ZINC000443938213 986146458 /nfs/dbraw/zinc/14/64/58/986146458.db2.gz OJRCMQSGTLEBSK-UHFFFAOYSA-N -1 3 414.259 3.810 20 0 HHADHM O=C(CCc1nc2cc(Br)ccc2s1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000463189716 986161632 /nfs/dbraw/zinc/16/16/32/986161632.db2.gz KHPIZMLFFRHLRP-UHFFFAOYSA-N -1 3 420.214 3.767 20 0 HHADHM O=C(CCc1nc2cc(Br)ccc2s1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000463189716 986161634 /nfs/dbraw/zinc/16/16/34/986161634.db2.gz KHPIZMLFFRHLRP-UHFFFAOYSA-N -1 3 420.214 3.767 20 0 HHADHM Cc1c(CN2CCSCC2)cccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000444030786 986226348 /nfs/dbraw/zinc/22/63/48/986226348.db2.gz LOBQXABKMNKOGM-UHFFFAOYSA-N -1 3 402.585 3.833 20 0 HHADHM CC(C)N(Cc1cccnc1)C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC000444032248 986227499 /nfs/dbraw/zinc/22/74/99/986227499.db2.gz OTFOGKKSDFIMCU-UHFFFAOYSA-N -1 3 405.376 3.873 20 0 HHADHM CCc1noc2ncc(S(=O)(=O)[N-]c3cccc(CN4CCCCC4)c3)cc12 ZINC000444038575 986236404 /nfs/dbraw/zinc/23/64/04/986236404.db2.gz ZAAMEIQVVQNWTJ-UHFFFAOYSA-N -1 3 400.504 3.572 20 0 HHADHM CSCC[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1nnc2ccccn21 ZINC000468534059 986239256 /nfs/dbraw/zinc/23/92/56/986239256.db2.gz AZJSDVJFSQFBDF-INIZCTEOSA-N -1 3 402.495 3.507 20 0 HHADHM CSc1ccccc1S(=O)(=O)[N-]c1cc(Cl)ccc1N1CCN(C)CC1 ZINC000444043622 986241341 /nfs/dbraw/zinc/24/13/41/986241341.db2.gz GNYYYPWRMUZWOJ-UHFFFAOYSA-N -1 3 411.980 3.615 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1 ZINC000468539987 986246195 /nfs/dbraw/zinc/24/61/95/986246195.db2.gz GFKDKPIBTYSXGX-GOSISDBHSA-N -1 3 415.465 3.793 20 0 HHADHM Cc1ccc(CN2CCCC2)cc1[N-]S(=O)(=O)c1cnc(-c2ccccc2)nc1 ZINC000444052281 986251788 /nfs/dbraw/zinc/25/17/88/986251788.db2.gz XEYAFWBQLVXXBV-UHFFFAOYSA-N -1 3 408.527 3.849 20 0 HHADHM CCCN(CCc1cccs1)C(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000468591077 986299815 /nfs/dbraw/zinc/29/98/15/986299815.db2.gz XBZMMELHSRCAFW-UHFFFAOYSA-N -1 3 410.543 3.616 20 0 HHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000444214771 986397969 /nfs/dbraw/zinc/39/79/69/986397969.db2.gz ATWNBBTVFVVVBN-BZNIZROVSA-N -1 3 409.401 3.642 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)N3CCC[C@H](C(=O)OC(C)(C)C)C3)cc2)cc(=O)[n-]1 ZINC000463461382 986441634 /nfs/dbraw/zinc/44/16/34/986441634.db2.gz IXABLSZTPWQOKQ-INIZCTEOSA-N -1 3 412.490 3.743 20 0 HHADHM CC(C)(CC1CCCCCC1)NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000444286891 986475340 /nfs/dbraw/zinc/47/53/40/986475340.db2.gz NOGXCVXRMOKNBA-UHFFFAOYSA-N -1 3 420.572 3.615 20 0 HHADHM CC(C)N(CCc1nccs1)C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000444325767 986505740 /nfs/dbraw/zinc/50/57/40/986505740.db2.gz BBJDFMZDGVEPKA-UHFFFAOYSA-N -1 3 420.332 3.840 20 0 HHADHM Cc1ccc(NC(=O)c2cncc(O)c2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000468800519 986509345 /nfs/dbraw/zinc/50/93/45/986509345.db2.gz CFVZBZPTWYNUDK-UHFFFAOYSA-N -1 3 417.874 3.802 20 0 HHADHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H](C)c2ccc(OCC3CC3)c(F)c2)c1 ZINC000468807928 986516130 /nfs/dbraw/zinc/51/61/30/986516130.db2.gz CAUKUCGZLQPGMQ-NSHDSACASA-N -1 3 413.492 3.502 20 0 HHADHM C[C@@H](CN(C)C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)c1nccs1 ZINC000444368853 986546667 /nfs/dbraw/zinc/54/66/67/986546667.db2.gz OXFZVHKOMMAPHZ-JTQLQIEISA-N -1 3 411.405 3.759 20 0 HHADHM COC(=O)C[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccc(SC)cc1 ZINC000468845925 986556889 /nfs/dbraw/zinc/55/68/89/986556889.db2.gz GROIZAWUFKDBAP-SFHVURJKSA-N -1 3 405.491 3.997 20 0 HHADHM COC(=O)[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccc(Br)cc1 ZINC000468883514 986590465 /nfs/dbraw/zinc/59/04/65/986590465.db2.gz IZGSQJFTFJUETM-GOSISDBHSA-N -1 3 424.266 3.647 20 0 HHADHM C[C@H](CC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)c(Br)c1 ZINC000463722782 986707834 /nfs/dbraw/zinc/70/78/34/986707834.db2.gz QTBNORJJWOFHHC-SNVBAGLBSA-N -1 3 404.243 3.901 20 0 HHADHM C[C@H](CC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)c(Br)c1 ZINC000463722782 986707838 /nfs/dbraw/zinc/70/78/38/986707838.db2.gz QTBNORJJWOFHHC-SNVBAGLBSA-N -1 3 404.243 3.901 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)C[C@@H]3CC[C@@H](C)C3)c2)cc1 ZINC000469019003 986726762 /nfs/dbraw/zinc/72/67/62/986726762.db2.gz SEHYUKMRIMKHPB-IAGOWNOFSA-N -1 3 416.543 3.939 20 0 HHADHM Cc1ccc(CS(=O)(=O)[N-][C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)cc1F ZINC000469109933 986826261 /nfs/dbraw/zinc/82/62/61/986826261.db2.gz ZKXUKOVGEONDHU-ZDUSSCGKSA-N -1 3 407.442 3.812 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000469115584 986831956 /nfs/dbraw/zinc/83/19/56/986831956.db2.gz ZGSYVKZAGDORHU-ZDUSSCGKSA-N -1 3 416.276 3.717 20 0 HHADHM CCOC(=O)c1nc(C2CCN(C(=O)c3c(C)c(C)oc3-c3ccccc3)CC2)n[n-]1 ZINC000444668526 986851824 /nfs/dbraw/zinc/85/18/24/986851824.db2.gz VSHRGCDSPNTNRO-UHFFFAOYSA-N -1 3 422.485 3.878 20 0 HHADHM CCOC(=O)c1nnc(C2CCN(C(=O)c3c(C)c(C)oc3-c3ccccc3)CC2)[n-]1 ZINC000444668526 986851836 /nfs/dbraw/zinc/85/18/36/986851836.db2.gz VSHRGCDSPNTNRO-UHFFFAOYSA-N -1 3 422.485 3.878 20 0 HHADHM CCOC(=O)c1nc(C2CCN(C(=O)C3(c4cccc(C)c4)CCCC3)CC2)n[n-]1 ZINC000444668243 986851880 /nfs/dbraw/zinc/85/18/80/986851880.db2.gz ZHMYGUDGPRKEEL-UHFFFAOYSA-N -1 3 410.518 3.508 20 0 HHADHM CCOC(=O)c1nnc(C2CCN(C(=O)C3(c4cccc(C)c4)CCCC3)CC2)[n-]1 ZINC000444668243 986851889 /nfs/dbraw/zinc/85/18/89/986851889.db2.gz ZHMYGUDGPRKEEL-UHFFFAOYSA-N -1 3 410.518 3.508 20 0 HHADHM CCOC(=O)c1nc(C2CCN(C(=O)c3ccc(C(C)C)c(Cl)c3)CC2)n[n-]1 ZINC000444671640 986854990 /nfs/dbraw/zinc/85/49/90/986854990.db2.gz ZXOBFTONLYZGSO-UHFFFAOYSA-N -1 3 404.898 3.778 20 0 HHADHM CCOC(=O)c1nnc(C2CCN(C(=O)c3ccc(C(C)C)c(Cl)c3)CC2)[n-]1 ZINC000444671640 986855004 /nfs/dbraw/zinc/85/50/04/986855004.db2.gz ZXOBFTONLYZGSO-UHFFFAOYSA-N -1 3 404.898 3.778 20 0 HHADHM O=c1nc(CN2CCC[C@@H]([C@H](O)C(F)(F)F)C2)[n-]c2scc(-c3ccco3)c21 ZINC000444716782 986889534 /nfs/dbraw/zinc/88/95/34/986889534.db2.gz HBWNXAWUKGPFAW-BMIGLBTASA-N -1 3 413.421 3.792 20 0 HHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N[C@@H](C)c3cccc(O)c3)nc(=O)c2c1C ZINC000444750742 986913402 /nfs/dbraw/zinc/91/34/02/986913402.db2.gz IYQXLVFWNFHYTB-RYUDHWBXSA-N -1 3 401.488 3.587 20 0 HHADHM CCOC(=O)c1nc(C2CCN(C(=O)c3ccc(-c4ccc(C)o4)s3)CC2)n[n-]1 ZINC000444756440 986918232 /nfs/dbraw/zinc/91/82/32/986918232.db2.gz BMXLMYCQEQNQPU-UHFFFAOYSA-N -1 3 414.487 3.631 20 0 HHADHM CCOC(=O)c1nnc(C2CCN(C(=O)c3ccc(-c4ccc(C)o4)s3)CC2)[n-]1 ZINC000444756440 986918244 /nfs/dbraw/zinc/91/82/44/986918244.db2.gz BMXLMYCQEQNQPU-UHFFFAOYSA-N -1 3 414.487 3.631 20 0 HHADHM CCOC(=O)c1nc(C2CCN(C(=O)[C@@H](C)Sc3ccc(Cl)cc3)CC2)n[n-]1 ZINC000444756598 986918411 /nfs/dbraw/zinc/91/84/11/986918411.db2.gz RNYCFSKMNOXTRA-GFCCVEGCSA-N -1 3 422.938 3.522 20 0 HHADHM CCOC(=O)c1nnc(C2CCN(C(=O)[C@@H](C)Sc3ccc(Cl)cc3)CC2)[n-]1 ZINC000444756598 986918417 /nfs/dbraw/zinc/91/84/17/986918417.db2.gz RNYCFSKMNOXTRA-GFCCVEGCSA-N -1 3 422.938 3.522 20 0 HHADHM CCOC(=O)c1nc(C2CCN(C(=O)[C@H]3C[C@@H]3c3ccc4ccccc4c3)CC2)n[n-]1 ZINC000444756636 986918722 /nfs/dbraw/zinc/91/87/22/986918722.db2.gz RTCUUXOGYPUUBE-UXHICEINSA-N -1 3 418.497 3.644 20 0 HHADHM CCOC(=O)c1nnc(C2CCN(C(=O)[C@H]3C[C@@H]3c3ccc4ccccc4c3)CC2)[n-]1 ZINC000444756636 986918731 /nfs/dbraw/zinc/91/87/31/986918731.db2.gz RTCUUXOGYPUUBE-UXHICEINSA-N -1 3 418.497 3.644 20 0 HHADHM CCOC(=O)c1nc(C2CCN(C(=O)c3cc(C(C)C)nc4ccccc43)CC2)n[n-]1 ZINC000444756111 986918869 /nfs/dbraw/zinc/91/88/69/986918869.db2.gz PZWHEJXQJJRUKH-UHFFFAOYSA-N -1 3 421.501 3.673 20 0 HHADHM CCOC(=O)c1nnc(C2CCN(C(=O)c3cc(C(C)C)nc4ccccc43)CC2)[n-]1 ZINC000444756111 986918878 /nfs/dbraw/zinc/91/88/78/986918878.db2.gz PZWHEJXQJJRUKH-UHFFFAOYSA-N -1 3 421.501 3.673 20 0 HHADHM CCc1ccc(CS(=O)(=O)[N-][C@@H](c2nc(-c3ccncc3)no2)C(C)C)cc1 ZINC000469276256 986995098 /nfs/dbraw/zinc/99/50/98/986995098.db2.gz UQKUOJQWSXSYCP-GOSISDBHSA-N -1 3 400.504 3.511 20 0 HHADHM CC[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC ZINC000469324909 987034751 /nfs/dbraw/zinc/03/47/51/987034751.db2.gz YSOJYIJMFMBQJA-PWSUYJOCSA-N -1 3 403.850 3.763 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000469333497 987041745 /nfs/dbraw/zinc/04/17/45/987041745.db2.gz RBFSUCABEFARBR-UHFFFAOYSA-N -1 3 419.884 3.780 20 0 HHADHM CC(C)Oc1ccc(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c(Cl)c1 ZINC000445017795 987149043 /nfs/dbraw/zinc/14/90/43/987149043.db2.gz RUKOESOMHYYOPZ-UHFFFAOYSA-N -1 3 417.893 3.823 20 0 HHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2ccccc2C(F)(F)F)cc1F ZINC000445059196 987183923 /nfs/dbraw/zinc/18/39/23/987183923.db2.gz MLAOYWPGYFNQLG-JTQLQIEISA-N -1 3 405.369 3.671 20 0 HHADHM CCOC(=O)c1nc(C2CCN(C(=O)Nc3ccc4oc(C)c(C)c4c3)CC2)n[n-]1 ZINC000445164159 987252006 /nfs/dbraw/zinc/25/20/06/987252006.db2.gz WEOONWFVNOYUBC-UHFFFAOYSA-N -1 3 411.462 3.756 20 0 HHADHM CCOC(=O)c1nnc(C2CCN(C(=O)Nc3ccc4oc(C)c(C)c4c3)CC2)[n-]1 ZINC000445164159 987252013 /nfs/dbraw/zinc/25/20/13/987252013.db2.gz WEOONWFVNOYUBC-UHFFFAOYSA-N -1 3 411.462 3.756 20 0 HHADHM COc1cccc(-c2nc(-c3csc(I)c3)no2)c1[O-] ZINC000445306086 987362988 /nfs/dbraw/zinc/36/29/88/987362988.db2.gz YXSNRJAGZLBQAT-UHFFFAOYSA-N -1 3 400.197 3.784 20 0 HHADHM Cc1cc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccc(Cl)cc3)n2)cc(C)c1O ZINC000445477382 987540668 /nfs/dbraw/zinc/54/06/68/987540668.db2.gz NTPMBGSWDAZQLA-LBPRGKRZSA-N -1 3 407.879 3.752 20 0 HHADHM CC(C)c1ccc(-c2nc(CC(=O)N3CCn4c5ccccc5nc43)no2)c([O-])c1 ZINC000445486427 987546406 /nfs/dbraw/zinc/54/64/06/987546406.db2.gz MQWHGORAGWVCNU-UHFFFAOYSA-N -1 3 403.442 3.505 20 0 HHADHM O=S(=O)([N-]c1ccccc1F)c1cccc(-c2nc([C@H]3CCCOC3)no2)c1 ZINC000445527771 987581944 /nfs/dbraw/zinc/58/19/44/987581944.db2.gz HQTCVJJEYSHJRB-AWEZNQCLSA-N -1 3 403.435 3.571 20 0 HHADHM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(C)C)c1 ZINC000445704343 987770222 /nfs/dbraw/zinc/77/02/22/987770222.db2.gz IBSVQSGWAUYWCY-NSHDSACASA-N -1 3 404.248 3.713 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](CC(C)C)N3CCCCC3=O)c2)n1 ZINC000445827015 987895979 /nfs/dbraw/zinc/89/59/79/987895979.db2.gz ZFHKKGRNAMJCJR-IBGZPJMESA-N -1 3 410.518 3.777 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cc3nnc4n3CCCCC4)cc2)ccc1F ZINC000464422658 988594799 /nfs/dbraw/zinc/59/47/99/988594799.db2.gz AABWCVHVLHEDNT-UHFFFAOYSA-N -1 3 414.506 3.844 20 0 HHADHM CN(C)[C@@H](CNC(=O)c1cc(=O)c2ccccc2[n-]1)c1cccc(C(F)(F)F)c1 ZINC000470596678 988612292 /nfs/dbraw/zinc/61/22/92/988612292.db2.gz ARJWEPJCHWITSO-SFHVURJKSA-N -1 3 403.404 3.580 20 0 HHADHM O=S(=O)(Cc1ccccc1C(F)(F)F)[N-]Cc1nnc(-c2ccccc2)s1 ZINC000470607908 988626860 /nfs/dbraw/zinc/62/68/60/988626860.db2.gz UZSKVFCTLOYTPK-UHFFFAOYSA-N -1 3 413.446 3.844 20 0 HHADHM COC(=O)c1nc([C@@H]2CCCN2Cc2nc3c4ccccc4oc3c(=O)[n-]2)sc1C ZINC000471014610 989084710 /nfs/dbraw/zinc/08/47/10/989084710.db2.gz LZRVENAEQFPTFQ-ZDUSSCGKSA-N -1 3 424.482 3.970 20 0 HHADHM O=C([N-]c1nnc(-c2ccco2)s1)c1c(F)cccc1I ZINC000471142440 989255092 /nfs/dbraw/zinc/25/50/92/989255092.db2.gz BPPJOWWEPSJDBZ-UHFFFAOYSA-N -1 3 415.187 3.794 20 0 HHADHM CCOc1cccc(CNc2ccc(-c3nc(CC)cc(=O)[n-]3)cn2)c1OC(F)F ZINC000465052808 989378284 /nfs/dbraw/zinc/37/82/84/989378284.db2.gz FGYYUYYRACHXPJ-UHFFFAOYSA-N -1 3 416.428 4.419 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3cc4c(cc3OC(F)F)OCO4)nc2)n1 ZINC000465057165 989381850 /nfs/dbraw/zinc/38/18/50/989381850.db2.gz SWNUVFLBFJULSU-UHFFFAOYSA-N -1 3 416.384 3.749 20 0 HHADHM O=C(NCc1ncccc1[O-])Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000471240419 989386801 /nfs/dbraw/zinc/38/68/01/989386801.db2.gz JQSMCRFYHXXKBN-UHFFFAOYSA-N -1 3 419.268 3.626 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3C[C@H]4CCC[C@@H]4C3)ccc2C)cc1 ZINC000465082026 989402519 /nfs/dbraw/zinc/40/25/19/989402519.db2.gz BUGPBVPXEKZKMY-QZTJIDSGSA-N -1 3 414.527 3.677 20 0 HHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000471308656 989470190 /nfs/dbraw/zinc/47/01/90/989470190.db2.gz WZOFDEUCVYCHTA-GFCCVEGCSA-N -1 3 402.447 3.805 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@H](c1cccc(F)c1)C1CCCC1 ZINC000465279226 989636622 /nfs/dbraw/zinc/63/66/22/989636622.db2.gz YBVKDXIGBMHSLS-QFIPXVFZSA-N -1 3 420.488 3.870 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)N[C@H](C)c3cn(-c4ccccc4)nn3)cc2)cc(=O)[n-]1 ZINC000471575870 989778055 /nfs/dbraw/zinc/77/80/55/989778055.db2.gz WRYSAKVYOWGKJX-CQSZACIVSA-N -1 3 415.457 3.621 20 0 HHADHM CCOc1cccc(C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)c1OC(F)F ZINC000465499564 989848912 /nfs/dbraw/zinc/84/89/12/989848912.db2.gz YAUUFTNSEPFTIF-UHFFFAOYSA-N -1 3 411.348 3.583 20 0 HHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](c1nccn1C)c1cccc(F)c1 ZINC000471789922 989976593 /nfs/dbraw/zinc/97/65/93/989976593.db2.gz DWTWORYWZMXPNC-GOSISDBHSA-N -1 3 417.437 3.821 20 0 HHADHM CCc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3ccc(OC)c(C)c3)n2)cc1 ZINC000471872009 990043558 /nfs/dbraw/zinc/04/35/58/990043558.db2.gz RUQIGYPFAUKPEO-CQSZACIVSA-N -1 3 401.488 3.656 20 0 HHADHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H](c2cccc(Cl)c2)c2ccccn2)c1 ZINC000471875974 990048176 /nfs/dbraw/zinc/04/81/76/990048176.db2.gz WWKHXMDITJLJEA-KRWDZBQOSA-N -1 3 422.915 3.651 20 0 HHADHM C[C@H]([N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1)c1noc(-c2ccccc2)n1 ZINC000471894448 990066534 /nfs/dbraw/zinc/06/65/34/990066534.db2.gz YFESFBWRLOGBIY-NSHDSACASA-N -1 3 413.377 3.675 20 0 HHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc4n[nH]nc4c3)cc2)cc1C ZINC000471936179 990101456 /nfs/dbraw/zinc/10/14/56/990101456.db2.gz IPCGJYQGRDURIK-UHFFFAOYSA-N -1 3 421.482 3.628 20 0 HHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CC[C@H](C)[C@H]1c1cccc(F)c1 ZINC000472063297 990226155 /nfs/dbraw/zinc/22/61/55/990226155.db2.gz MXSQKEKCAFCGEV-QKKBWIMNSA-N -1 3 406.461 3.844 20 0 HHADHM COc1ccc([C@@H](NCc2cc([O-])cc(F)c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000472064625 990227187 /nfs/dbraw/zinc/22/71/87/990227187.db2.gz STLXLAKDAADOOY-JOCHJYFZSA-N -1 3 415.486 3.823 20 0 HHADHM CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)[N-][C@@H](C)c2cc3ccccc3o2)c1 ZINC000466728493 992039076 /nfs/dbraw/zinc/03/90/76/992039076.db2.gz JCVZLYCHVNRQNC-LBPRGKRZSA-N -1 3 421.446 3.797 20 0 HHADHM CO[C@@H](C[N-]S(=O)(=O)c1csc(-c2cccc(Br)c2)n1)C(C)C ZINC000466860071 992179800 /nfs/dbraw/zinc/17/98/00/992179800.db2.gz WIBSBBCPTKCMFF-ZDUSSCGKSA-N -1 3 419.366 3.522 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@H]3CCCc4nn(C)cc43)cc2)cc1 ZINC000466944931 992255774 /nfs/dbraw/zinc/25/57/74/992255774.db2.gz YQIXALHLQISBLS-IBGZPJMESA-N -1 3 424.526 3.588 20 0 HHADHM O=S(=O)([N-][C@@H]1CCN(c2ncccc2Cl)C1)c1cccc(Cl)c1Cl ZINC000467117673 992432171 /nfs/dbraw/zinc/43/21/71/992432171.db2.gz SGBOOURZIBVUEC-SNVBAGLBSA-N -1 3 406.722 3.599 20 0 HHADHM CC[C@@H](Cc1ccccc1Br)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000467203213 992528010 /nfs/dbraw/zinc/52/80/10/992528010.db2.gz WWOUFLLAOLWCFU-AWEZNQCLSA-N -1 3 414.307 3.514 20 0 HHADHM CC[C@@H](Cc1ccccc1Br)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000467203213 992528017 /nfs/dbraw/zinc/52/80/17/992528017.db2.gz WWOUFLLAOLWCFU-AWEZNQCLSA-N -1 3 414.307 3.514 20 0 HHADHM COC(=O)c1sc2[n-]c(CN3CCC[C@@]3(C)Cc3ccccc3)nc(=O)c2c1C ZINC000467238800 992559934 /nfs/dbraw/zinc/55/99/34/992559934.db2.gz RIEUHOWJNYCNRS-QFIPXVFZSA-N -1 3 411.527 3.677 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H]3CCCc4n[nH]cc43)cc2)cc1 ZINC000467289242 992612678 /nfs/dbraw/zinc/61/26/78/992612678.db2.gz SBPHXURERGXWRB-GOSISDBHSA-N -1 3 410.499 3.578 20 0 HHADHM CCc1cc(=O)[n-]c(CN(Cc2cccc(Br)c2)C2CCOCC2)n1 ZINC000467300527 992626114 /nfs/dbraw/zinc/62/61/14/992626114.db2.gz FEQSBVBRNDQQOB-UHFFFAOYSA-N -1 3 406.324 3.688 20 0 HHADHM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3ccc(N4CCCC[C@@H]4C)cc3C)cc12 ZINC000467427490 992726771 /nfs/dbraw/zinc/72/67/71/992726771.db2.gz GPXFBTLGKVSCAK-HNNXBMFYSA-N -1 3 413.547 3.765 20 0 HHADHM CC(C)C[C@@H]1CCCCN1C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000467498165 992782821 /nfs/dbraw/zinc/78/28/21/992782821.db2.gz CHIIZFPXYQTKNN-HNNXBMFYSA-N -1 3 407.511 3.995 20 0 HHADHM COc1ccc(C(=O)Nc2ccc(C(=O)NCc3ccc([O-])c(F)c3)s2)cc1 ZINC000467576936 992854693 /nfs/dbraw/zinc/85/46/93/992854693.db2.gz KPIYNAMDCQSVHA-UHFFFAOYSA-N -1 3 400.431 3.784 20 0 HHADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)Nc1cc(Cl)ccc1NC1CC1 ZINC000467674721 992932520 /nfs/dbraw/zinc/93/25/20/992932520.db2.gz FPDQQUSLJLGNFY-UHFFFAOYSA-N -1 3 420.343 3.546 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)Nc1cc(Cl)ccc1NC1CC1 ZINC000467687109 992942983 /nfs/dbraw/zinc/94/29/83/992942983.db2.gz XCMIVMXATDOLGQ-UHFFFAOYSA-N -1 3 409.877 3.549 20 0 HHADHM COc1ccc(N(C)C(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)cc1Cl ZINC000467755371 993000433 /nfs/dbraw/zinc/00/04/33/993000433.db2.gz ZAHNMYDPGWITHF-UHFFFAOYSA-N -1 3 412.877 3.810 20 0 HHADHM CC(C)(C)c1nnc(C[N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)s1 ZINC000467760988 993005630 /nfs/dbraw/zinc/00/56/30/993005630.db2.gz XKDQKXNKNJPKQF-UHFFFAOYSA-N -1 3 411.883 3.569 20 0 HHADHM O=S(=O)([N-][C@@H]1CCCC[C@H]1n1cccn1)c1cc(Br)ccc1Cl ZINC000467782365 993020514 /nfs/dbraw/zinc/02/05/14/993020514.db2.gz CUWHJYQDCMWFGK-ZIAGYGMSSA-N -1 3 418.744 3.761 20 0 HHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CC(=O)Nc1ccc(C)cc1Cl ZINC000472097416 993148148 /nfs/dbraw/zinc/14/81/48/993148148.db2.gz NZRUCRPWFNDUKL-UHFFFAOYSA-N -1 3 410.854 3.759 20 0 HHADHM COc1ccccc1N1CC[C@@H](C[N-]S(=O)(=O)c2oc3ccc(F)cc3c2C)C1 ZINC000472103193 993153892 /nfs/dbraw/zinc/15/38/92/993153892.db2.gz BKNUJCKPKXFRLR-HNNXBMFYSA-N -1 3 418.490 3.694 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@](C)(O)C(C)C)ccc2C)cc1 ZINC000472240190 993267998 /nfs/dbraw/zinc/26/79/98/993267998.db2.gz JPZJUMSSSJAEJT-NRFANRHFSA-N -1 3 420.531 3.540 20 0 HHADHM O=C(NC[C@H]1CCCCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1)c1ccccc1 ZINC000472286077 993303160 /nfs/dbraw/zinc/30/31/60/993303160.db2.gz ZCKLURVRUOPXPW-QGZVFWFLSA-N -1 3 416.481 3.866 20 0 HHADHM C[C@H]([N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1)c1nc(Cc2ccccc2)no1 ZINC000480767667 993632196 /nfs/dbraw/zinc/63/21/96/993632196.db2.gz UBDAFNIBGDRQHB-LBPRGKRZSA-N -1 3 409.870 3.634 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCc3cc(Cl)ccc3C2)c1 ZINC000480829536 993706099 /nfs/dbraw/zinc/70/60/99/993706099.db2.gz NPBFACSNSCLPQD-UHFFFAOYSA-N -1 3 411.845 3.793 20 0 HHADHM O=S(=O)([N-][C@H]1CCCc2c(O)cccc21)c1cc(Br)ccc1F ZINC000480881892 993744971 /nfs/dbraw/zinc/74/49/71/993744971.db2.gz RDQUJZHQGZLPAM-AWEZNQCLSA-N -1 3 400.269 3.650 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCC=C(C)C)c2)cc1 ZINC000480900670 993757163 /nfs/dbraw/zinc/75/71/63/993757163.db2.gz OJSDKPRMBDTFPV-UHFFFAOYSA-N -1 3 402.516 3.891 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N1CC[C@@H](C2CC2)C1 ZINC000480945832 993790302 /nfs/dbraw/zinc/79/03/02/993790302.db2.gz PGDRQICFKICFGE-MRXNPFEDSA-N -1 3 402.491 3.807 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1cccc(-c2ccc3c(c2)CCO3)c1 ZINC000481076715 993916029 /nfs/dbraw/zinc/91/60/29/993916029.db2.gz CSDZHAWDKINQPS-UHFFFAOYSA-N -1 3 403.364 3.747 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)NCc3cccnc3OCC(F)F)cc2)cc(=O)[n-]1 ZINC000481196078 994029510 /nfs/dbraw/zinc/02/95/10/994029510.db2.gz DPXWTXASFXNNCD-UHFFFAOYSA-N -1 3 415.400 3.518 20 0 HHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccc(Br)s1)c1cc(F)c(F)c(F)c1 ZINC000481230089 994060875 /nfs/dbraw/zinc/06/08/75/994060875.db2.gz JNNKLGOOXKXRCF-GMSGAONNSA-N -1 3 412.252 3.762 20 0 HHADHM O=C(NCc1ncccc1[O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cccc(Cl)c1 ZINC000473634834 994515436 /nfs/dbraw/zinc/51/54/36/994515436.db2.gz ZOTGTSCZUPWTAE-JVPBZIDWSA-N -1 3 413.905 3.530 20 0 HHADHM O=C(NCc1ncccc1[O-])[C@@H](Oc1cccc(Br)c1)c1ccccc1 ZINC000473636393 994517457 /nfs/dbraw/zinc/51/74/57/994517457.db2.gz FHUXLPCPXKSIQI-IBGZPJMESA-N -1 3 413.271 3.986 20 0 HHADHM CO[C@H]1CCCC[C@H]1NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000473739652 994640382 /nfs/dbraw/zinc/64/03/82/994640382.db2.gz DQILDYMXSHHAIL-KGLIPLIRSA-N -1 3 413.699 3.631 20 0 HHADHM O=S(=O)(CCc1ccccc1)[N-]c1nccn1Cc1ccc(Br)cc1 ZINC000481820246 994670783 /nfs/dbraw/zinc/67/07/83/994670783.db2.gz YKMXWUYICWJWON-UHFFFAOYSA-N -1 3 420.332 3.678 20 0 HHADHM CCN1CCN(c2ccc([N-]S(=O)(=O)c3cc(C)c(Cl)s3)c(C)c2)CC1 ZINC000473759397 994671550 /nfs/dbraw/zinc/67/15/50/994671550.db2.gz SYAAJEGSFLSDRI-UHFFFAOYSA-N -1 3 413.996 3.961 20 0 HHADHM Cc1cc2c(cc1S(=O)(=O)[N-]c1cccc3c1CN([C@H](C)C(C)C)C3)OCO2 ZINC000481840245 994694090 /nfs/dbraw/zinc/69/40/90/994694090.db2.gz LZFGZACIVUVYSN-OAHLLOKOSA-N -1 3 402.516 3.885 20 0 HHADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc(CN(C)C)c(Cl)c2)cc1 ZINC000481890954 994759465 /nfs/dbraw/zinc/75/94/65/994759465.db2.gz SCAALBUKWSWQLB-UHFFFAOYSA-N -1 3 412.939 3.618 20 0 HHADHM O=C(CC(Cc1ccccc1)Cc1ccccc1)NCc1nc(C(F)(F)F)n[n-]1 ZINC000481900584 994771434 /nfs/dbraw/zinc/77/14/34/994771434.db2.gz CPBCQEAORULWJW-UHFFFAOYSA-N -1 3 402.420 3.931 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1ccc(N2CCCc3ccccc32)cc1 ZINC000481911358 994783205 /nfs/dbraw/zinc/78/32/05/994783205.db2.gz FBDLPDIPOVLJSV-UHFFFAOYSA-N -1 3 401.392 3.838 20 0 HHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(NC[C@@H]2CCCO2)c(F)c1 ZINC000473888978 994839643 /nfs/dbraw/zinc/83/96/43/994839643.db2.gz UTBMCRYLGKFPGU-AWEZNQCLSA-N -1 3 402.470 3.770 20 0 HHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1ccccc1OCc1ccc(F)cc1 ZINC000473903919 994863979 /nfs/dbraw/zinc/86/39/79/994863979.db2.gz UMSFKMPLFBGJNR-UHFFFAOYSA-N -1 3 403.417 3.761 20 0 HHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1ccccc1OCc1ccc(F)cc1 ZINC000473903919 994863985 /nfs/dbraw/zinc/86/39/85/994863985.db2.gz UMSFKMPLFBGJNR-UHFFFAOYSA-N -1 3 403.417 3.761 20 0 HHADHM COc1ccc(CC[N-]S(=O)(=O)c2cc(C)c(Cl)s2)cc1OC(F)F ZINC000473919455 994888814 /nfs/dbraw/zinc/88/88/14/994888814.db2.gz PCVLAGIRBAMREV-UHFFFAOYSA-N -1 3 411.879 3.841 20 0 HHADHM CCS[C@H](C)c1noc(CN(C)c2ccc(-c3nc(CC)cc(=O)[n-]3)cn2)n1 ZINC000482097479 995041761 /nfs/dbraw/zinc/04/17/61/995041761.db2.gz SWUNHJHWPFMXPN-GFCCVEGCSA-N -1 3 400.508 3.640 20 0 HHADHM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2cccc(Br)c2C)o1 ZINC000474116807 995092758 /nfs/dbraw/zinc/09/27/58/995092758.db2.gz NYVSIMIYRKSKDF-CQSZACIVSA-N -1 3 402.310 3.579 20 0 HHADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Br)c(C)cc1OC)c1nccs1 ZINC000474117649 995093479 /nfs/dbraw/zinc/09/34/79/995093479.db2.gz LWUMHOBTUJOCRL-LLVKDONJSA-N -1 3 405.339 3.652 20 0 HHADHM CC[C@@](C)([N-]S(=O)(=O)c1cc(OC)ccc1Br)c1nccs1 ZINC000474130152 995105762 /nfs/dbraw/zinc/10/57/62/995105762.db2.gz CIXYEGWUNITODX-CQSZACIVSA-N -1 3 405.339 3.518 20 0 HHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2ccc(-c3cccnc3)cc2)s1 ZINC000474213465 995208079 /nfs/dbraw/zinc/20/80/79/995208079.db2.gz GGMGJVWYJLHKEL-CYBMUJFWSA-N -1 3 402.497 3.636 20 0 HHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1 ZINC000474299690 995289396 /nfs/dbraw/zinc/28/93/96/995289396.db2.gz RJJMMVMQGHBOIF-UHFFFAOYSA-N -1 3 420.922 3.744 20 0 HHADHM O=S(=O)([N-]c1ccc2n[nH]nc2c1)c1ccc(Br)c(C(F)(F)F)c1 ZINC000474406396 995373857 /nfs/dbraw/zinc/37/38/57/995373857.db2.gz ANHFYJYCKDVANF-UHFFFAOYSA-N -1 3 421.198 3.540 20 0 HHADHM O=S(=O)([N-]c1ccc2[nH]nnc2c1)c1ccc(Br)c(C(F)(F)F)c1 ZINC000474406396 995373867 /nfs/dbraw/zinc/37/38/67/995373867.db2.gz ANHFYJYCKDVANF-UHFFFAOYSA-N -1 3 421.198 3.540 20 0 HHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N(C)Cc1cc(Br)ccc1F ZINC000474499921 995458205 /nfs/dbraw/zinc/45/82/05/995458205.db2.gz SCOFTDHKAAUTSR-UHFFFAOYSA-N -1 3 410.287 3.962 20 0 HHADHM O=C(NCc1cccc(OC(F)F)c1)NCc1ccc([O-])c(Br)c1 ZINC000482469844 995474406 /nfs/dbraw/zinc/47/44/06/995474406.db2.gz VRNJMCKVKUBXED-UHFFFAOYSA-N -1 3 401.207 3.756 20 0 HHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(C(=O)N2CCc3ccccc32)cc1 ZINC000474569506 995532187 /nfs/dbraw/zinc/53/21/87/995532187.db2.gz BXGKIMYYLBSPRN-UHFFFAOYSA-N -1 3 420.494 3.668 20 0 HHADHM COc1ccc(-c2csc(NC(=O)c3c(C)[n-]c(=O)nc3SC)n2)cc1OC ZINC000474575049 995537175 /nfs/dbraw/zinc/53/71/75/995537175.db2.gz JDHMWRMLQXPFFG-UHFFFAOYSA-N -1 3 418.500 3.606 20 0 HHADHM CC[C@H](CNC(=O)NCc1ccc([O-])c(Br)c1)Oc1ccccc1F ZINC000482599208 995599063 /nfs/dbraw/zinc/59/90/63/995599063.db2.gz SVBUVAARDMGANM-CYBMUJFWSA-N -1 3 411.271 3.951 20 0 HHADHM C[C@@H]1CCC[C@@H](NC(=O)c2c[n-]c3ccc(I)cc3c2=O)CC1 ZINC000474659685 995605438 /nfs/dbraw/zinc/60/54/38/995605438.db2.gz QGNFPVHBVCXNDD-DGCLKSJQSA-N -1 3 424.282 3.831 20 0 HHADHM CCN(CC)C(=O)c1ccc(NC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000482680836 995673200 /nfs/dbraw/zinc/67/32/00/995673200.db2.gz QUDHUADVJLINSD-UHFFFAOYSA-N -1 3 420.307 3.958 20 0 HHADHM 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20 0 HHADHM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OCCCOC)c1nccs1 ZINC000475789297 996372305 /nfs/dbraw/zinc/37/23/05/996372305.db2.gz CXBASKPYSYMYAM-ZDUSSCGKSA-N -1 3 404.941 3.641 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cc(F)c(OC)cc2F)c(Br)c1 ZINC000475789441 996372477 /nfs/dbraw/zinc/37/24/77/996372477.db2.gz LALJYQGGBWEDGW-UHFFFAOYSA-N -1 3 408.220 3.545 20 0 HHADHM CN(C)c1ccc(S(=O)(=O)[N-]c2cccc(CCC(=O)OC(C)(C)C)c2)cc1 ZINC000475828289 996397600 /nfs/dbraw/zinc/39/76/00/996397600.db2.gz FFJAQROJHBWPGN-UHFFFAOYSA-N -1 3 404.532 3.828 20 0 HHADHM Cc1nc(C)c(CCC(=O)N(Cc2cccc(Br)c2)CC2CC2)c(=O)[n-]1 ZINC000475884505 996443824 /nfs/dbraw/zinc/44/38/24/996443824.db2.gz YWGVSKPNALJKHJ-UHFFFAOYSA-N -1 3 418.335 3.933 20 0 HHADHM COC(=O)c1cccc2[n-]c(NC(=O)C3(c4ccccc4Br)CC3)nc21 ZINC000475924159 996474966 /nfs/dbraw/zinc/47/49/66/996474966.db2.gz YGOHYKIXFWZRMT-UHFFFAOYSA-N -1 3 414.259 3.782 20 0 HHADHM CCC(CC)(CCO)CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000475934314 996482515 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406.404 3.831 20 0 HHADHM COC(=O)c1sc2[n-]c(CN(Cc3c(F)cccc3F)C3CC3)nc(=O)c2c1C ZINC000484297749 996686878 /nfs/dbraw/zinc/68/68/78/996686878.db2.gz JDNJSIMFKHMJCT-UHFFFAOYSA-N -1 3 419.453 3.522 20 0 HHADHM COc1cc(OC)c(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1Br ZINC000476244527 996702647 /nfs/dbraw/zinc/70/26/47/996702647.db2.gz CVUSQNUZYVHPHY-UHFFFAOYSA-N -1 3 408.220 3.545 20 0 HHADHM Cc1ncc([C@H](C)NCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c(C)n1 ZINC000484375504 996737214 /nfs/dbraw/zinc/73/72/14/996737214.db2.gz WTCUXBAKJWXIQH-AWEZNQCLSA-N -1 3 414.506 3.884 20 0 HHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)[C@@H]2CC(=O)c3ccccc32)CC1 ZINC000476304147 996744091 /nfs/dbraw/zinc/74/40/91/996744091.db2.gz XQYMIQAHZQXQJP-QGZVFWFLSA-N -1 3 412.873 3.593 20 0 HHADHM CO[C@@H]1CCC[C@@H](CC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)C1 ZINC000476341278 996766785 /nfs/dbraw/zinc/76/67/85/996766785.db2.gz YITBPPGNKQXVAD-RHSMWYFYSA-N -1 3 408.926 3.818 20 0 HHADHM COC[C@H]([N-]S(=O)(=O)c1ccc2cc(Br)ccc2c1)c1ccco1 ZINC000476347660 996770395 /nfs/dbraw/zinc/77/03/95/996770395.db2.gz NTDIDAMJLDCMDC-INIZCTEOSA-N -1 3 410.289 3.861 20 0 HHADHM CCSCc1cccc(NC(=O)C(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000484531796 996864082 /nfs/dbraw/zinc/86/40/82/996864082.db2.gz VNPIHDLHZOPQLC-UHFFFAOYSA-N -1 3 423.332 3.663 20 0 HHADHM Cc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1ccc(O[C@H]2CCOC2)cc1 ZINC000476424840 996892500 /nfs/dbraw/zinc/89/25/00/996892500.db2.gz SGMATPJVTSQETR-INIZCTEOSA-N -1 3 401.406 3.982 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@H](C)c1cc2cccc(F)c2o1 ZINC000476519917 997009629 /nfs/dbraw/zinc/00/96/29/997009629.db2.gz ZBGUOYNNVRSGSC-CQSZACIVSA-N -1 3 420.444 3.836 20 0 HHADHM C[C@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000476529593 997018401 /nfs/dbraw/zinc/01/84/01/997018401.db2.gz DISGDKJHAZQYBS-SECBINFHSA-N -1 3 406.298 3.590 20 0 HHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H]3CCCc4c[nH]nc43)c2)cc1 ZINC000484777961 997125031 /nfs/dbraw/zinc/12/50/31/997125031.db2.gz CKWUBOPQZLJGHK-HXUWFJFHSA-N -1 3 424.526 3.635 20 0 HHADHM O=S(=O)([N-]C[C@@H]1CCCC[C@@H]1C(F)(F)F)c1cnn(-c2ccccc2F)c1 ZINC000484790895 997142047 /nfs/dbraw/zinc/14/20/47/997142047.db2.gz WIDAWZMFKKHNLB-JSGCOSHPSA-N -1 3 405.417 3.658 20 0 HHADHM CC(C)(C)C(=O)Nc1nc(CC(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)cs1 ZINC000485114904 997497995 /nfs/dbraw/zinc/49/79/95/997497995.db2.gz UKYANCGEPQVQDB-UHFFFAOYSA-N -1 3 424.486 3.840 20 0 HHADHM CCN(CC)C(=O)c1ccc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)cc1 ZINC000485140686 997524471 /nfs/dbraw/zinc/52/44/71/997524471.db2.gz IMKRCKRWPWFXBX-UHFFFAOYSA-N -1 3 403.442 3.952 20 0 HHADHM O=C([C@@H](Sc1cc(F)ccc1F)c1ccccc1)N1CCc2nc[n-]c(=O)c2C1 ZINC000476968100 997585711 /nfs/dbraw/zinc/58/57/11/997585711.db2.gz WAHLVCCEOXZFBR-IBGZPJMESA-N -1 3 413.449 3.879 20 0 HHADHM Cc1ccccc1-c1nc(C[N-]S(=O)(=O)Cc2ccc(Cl)cc2Cl)no1 ZINC000477140648 997797193 /nfs/dbraw/zinc/79/71/93/997797193.db2.gz TXUUHIUODZERMI-UHFFFAOYSA-N -1 3 412.298 3.971 20 0 HHADHM 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3 408.676 3.567 20 0 HHADHM O=S(=O)(CCc1cccs1)[N-]c1cc(C(F)(F)F)ccc1-n1cccn1 ZINC000477518142 998238956 /nfs/dbraw/zinc/23/89/56/998238956.db2.gz FXPOJHAOSAVHTB-UHFFFAOYSA-N -1 3 401.435 3.937 20 0 HHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CCc2c[nH]c3cccc(C)c23)cc1Cl ZINC000485864720 998324005 /nfs/dbraw/zinc/32/40/05/998324005.db2.gz SPEGJFVKNHWQEF-UHFFFAOYSA-N -1 3 423.897 3.748 20 0 HHADHM O=c1cc(C=Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)nc(-c2ccncc2)[n-]1 ZINC000485984557 998427319 /nfs/dbraw/zinc/42/73/19/998427319.db2.gz OAQHJWVXLALTOY-UPHRSURJSA-N -1 3 411.252 3.890 20 0 HHADHM CCc1cccc([N-]S(=O)(=O)c2ccc(NS(=O)(=O)CC)c(F)c2)c1CC ZINC000486084472 998532121 /nfs/dbraw/zinc/53/21/21/998532121.db2.gz HDPVHUWZUHVITJ-UHFFFAOYSA-N -1 3 414.524 3.513 20 0 HHADHM CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000486093764 998542138 /nfs/dbraw/zinc/54/21/38/998542138.db2.gz IXLUOLDMMSOQGP-SFHVURJKSA-N -1 3 410.392 3.569 20 0 HHADHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1nc(-c2ccc(Br)s2)no1 ZINC000477836359 998591320 /nfs/dbraw/zinc/59/13/20/998591320.db2.gz VTWYIHOLPSJOHF-DCAQKATOSA-N -1 3 412.309 3.778 20 0 HHADHM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)N1CC(C2CCCC2)C1 ZINC000477888776 998634264 /nfs/dbraw/zinc/63/42/64/998634264.db2.gz MLFOJTKHKRAFSI-UHFFFAOYSA-N -1 3 402.491 3.889 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCC(c2ccc(O)cc2)CC1 ZINC000486420910 998759166 /nfs/dbraw/zinc/75/91/66/998759166.db2.gz BKUMMABMWNSIOK-UHFFFAOYSA-N -1 3 405.292 3.950 20 0 HHADHM CC(C)[C@H](O)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)c(Cl)c1 ZINC000486463267 998781141 /nfs/dbraw/zinc/78/11/41/998781141.db2.gz CREMOYUCPNFWBT-INIZCTEOSA-N -1 3 417.314 3.750 20 0 HHADHM COC(=O)c1cccc(S(=O)(=O)[N-]c2cc(F)cc(Br)c2F)c1C ZINC000486563233 998827336 /nfs/dbraw/zinc/82/73/36/998827336.db2.gz NTMPOKRMGWSUBW-UHFFFAOYSA-N -1 3 420.231 3.623 20 0 HHADHM O=c1[n-]c(-c2cnc(OCC(F)(F)F)cn2)nc2sc3c(c21)CCSC3 ZINC000478259407 998850295 /nfs/dbraw/zinc/85/02/95/998850295.db2.gz ZYVGPHBJKRMRNB-UHFFFAOYSA-N -1 3 400.407 3.584 20 0 HHADHM CC[C@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2cc(Br)ccc2Cl)n[nH]1 ZINC000486613482 998857482 /nfs/dbraw/zinc/85/74/82/998857482.db2.gz YYWDTXYZHSHKOM-IUCAKERBSA-N -1 3 421.748 3.774 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)N(CCCO)[C@H]1CCc2ccccc21 ZINC000486655043 998878604 /nfs/dbraw/zinc/87/86/04/998878604.db2.gz WAPCKTSISYGDPA-SFHVURJKSA-N -1 3 419.319 3.736 20 0 HHADHM CCC(CC)N(CCOC)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000486700270 998898491 /nfs/dbraw/zinc/89/84/91/998898491.db2.gz MUJBNIFCYIJXJT-UHFFFAOYSA-N -1 3 422.522 3.904 20 0 HHADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@@H]2CCC[C@H](c3ccccc3)C2)s1 ZINC000486708611 998902531 /nfs/dbraw/zinc/90/25/31/998902531.db2.gz ZOKXQVFBAQHKFJ-LSDHHAIUSA-N -1 3 409.529 3.548 20 0 HHADHM Cc1ccc(I)cc1NCc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000478379924 998927193 /nfs/dbraw/zinc/92/71/93/998927193.db2.gz QQJCRTBNTWAJFN-UHFFFAOYSA-N -1 3 409.149 3.726 20 0 HHADHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC(C)(C)CO)c2)cc1 ZINC000486790403 998940815 /nfs/dbraw/zinc/94/08/15/998940815.db2.gz XDJHZIVZCCNJJA-UHFFFAOYSA-N -1 3 418.559 3.639 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc(C)ns3)ccc2C)cc1 ZINC000478550505 999021610 /nfs/dbraw/zinc/02/16/10/999021610.db2.gz VWYSDSFMYMFRPM-UHFFFAOYSA-N -1 3 417.512 3.822 20 0 HHADHM CNC(=O)COc1ccc([N-]S(=O)(=O)c2c(C)cc(C(C)(C)C)cc2C)c(C)c1 ZINC000478675658 999082995 /nfs/dbraw/zinc/08/29/95/999082995.db2.gz BCQNWROSRSGJQH-UHFFFAOYSA-N -1 3 418.559 3.835 20 0 HHADHM COC(=O)c1cc(F)cc([N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@H](C)C3)c1F ZINC000478700910 999095791 /nfs/dbraw/zinc/09/57/91/999095791.db2.gz ULUZPGJFYYPCMI-MRVPVSSYSA-N -1 3 417.817 3.529 20 0 HHADHM COC(=O)c1cc(F)cc([N-]S(=O)(=O)c2ccc(SC)c(Cl)c2)c1F ZINC000478709770 999099741 /nfs/dbraw/zinc/09/97/41/999099741.db2.gz IKITWALDOMWJKE-UHFFFAOYSA-N -1 3 407.847 3.928 20 0 HHADHM Cc1nc(C)c(CCC(=O)Nc2nc(-c3ccc(-n4cccn4)cc3)cs2)c(=O)[n-]1 ZINC000487540410 999210474 /nfs/dbraw/zinc/21/04/74/999210474.db2.gz RTEDCNIYPGSJNC-UHFFFAOYSA-N -1 3 420.498 3.680 20 0 HHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc(C)n(-c4ccc(Cl)cc4)n3)nc21 ZINC000479085918 999287144 /nfs/dbraw/zinc/28/71/44/999287144.db2.gz NIXPYIKTNWDVFI-UHFFFAOYSA-N -1 3 409.833 3.749 20 0 HHADHM C[C@@H](c1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)N1CCOCC1 ZINC000479255098 999349308 /nfs/dbraw/zinc/34/93/08/999349308.db2.gz XLVQJGUOLWXBND-AWEZNQCLSA-N -1 3 414.449 3.899 20 0 HHADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)OC(C)(C)C)cc2F)cc1 ZINC000479342775 999394645 /nfs/dbraw/zinc/39/46/45/999394645.db2.gz LDRMAKDLXIBDQN-UHFFFAOYSA-N -1 3 408.451 3.540 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000479359914 999403062 /nfs/dbraw/zinc/40/30/62/999403062.db2.gz CZSLRDQADYRKHQ-SWLSCSKDSA-N -1 3 411.545 3.560 20 0 HHADHM COc1cccc([C@H](C)N=c2cc(N[C@@H](C)c3cccc(OC)c3)n3[n-]cnc3n2)c1 ZINC000479365225 999405809 /nfs/dbraw/zinc/40/58/09/999405809.db2.gz NLMPPUCWPFXLQG-HOTGVXAUSA-N -1 3 418.501 3.910 20 0 HHADHM Cc1ccc(-c2nc(NC(=O)c3cccc(-n4nccc4C(F)(F)F)c3)n[n-]2)o1 ZINC000479475006 999432600 /nfs/dbraw/zinc/43/26/00/999432600.db2.gz KTPMPVWLNUUWHX-UHFFFAOYSA-N -1 3 402.336 3.830 20 0 HHADHM CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)Nc1n[n-]c(-c3ccc(C)o3)n1)O[C@@H](C)C2 ZINC000479477633 999434275 /nfs/dbraw/zinc/43/42/75/999434275.db2.gz SYGNTCWFDHDKEQ-NOLJZWGESA-N -1 3 408.458 3.837 20 0 HHADHM Cc1ccc(-c2nc(NC(=O)CCNc3ncc(C(F)(F)F)cc3Cl)n[n-]2)o1 ZINC000479480830 999436206 /nfs/dbraw/zinc/43/62/06/999436206.db2.gz SXBQZPGKJWABMI-UHFFFAOYSA-N -1 3 414.775 3.881 20 0 HHADHM Cc1ccc(-c2nc(NC(=O)Cc3c[nH]c4cc(Br)ccc34)n[n-]2)o1 ZINC000488534021 999519977 /nfs/dbraw/zinc/51/99/77/999519977.db2.gz QRPNMJNEMISGIS-UHFFFAOYSA-N -1 3 400.236 3.798 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CC2(CCOCC2)c2ccccc21 ZINC000479685280 999536275 /nfs/dbraw/zinc/53/62/75/999536275.db2.gz KJWDWEDAJULQAE-UHFFFAOYSA-N -1 3 417.303 3.933 20 0 HHADHM Cc1cc(=O)[n-]c([C@H](C)Sc2nnc(N3CCCCC3)n2Cc2ccco2)n1 ZINC000488602753 999543158 /nfs/dbraw/zinc/54/31/58/999543158.db2.gz XSJHAGDWEBHLJM-AWEZNQCLSA-N -1 3 400.508 3.567 20 0 HHADHM CCCNC(=O)Nc1ccc(CC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000488658169 999561638 /nfs/dbraw/zinc/56/16/38/999561638.db2.gz NPBQGPKMNVUOGD-UHFFFAOYSA-N -1 3 420.307 3.545 20 0 HHADHM COc1ccc(C(=O)CCC(=O)NCc2ccc([O-])c(Br)c2)cc1F ZINC000488662913 999563216 /nfs/dbraw/zinc/56/32/16/999563216.db2.gz XXTWHAWTCSBSQA-UHFFFAOYSA-N -1 3 410.239 3.582 20 0 HHADHM Cc1c(C(=O)NCc2ccc([O-])c(Br)c2)cnn1-c1cccc(C)c1 ZINC000488669778 999566010 /nfs/dbraw/zinc/56/60/10/999566010.db2.gz BGPPCSWNGNWFIC-UHFFFAOYSA-N -1 3 400.276 3.887 20 0 HHADHM Cn1ccnc1SCc1ccc(C(=O)NCc2ccc([O-])c(Br)c2)o1 ZINC000488672290 999566699 /nfs/dbraw/zinc/56/66/99/999566699.db2.gz YNAIEVUSAWMQIU-UHFFFAOYSA-N -1 3 422.304 3.704 20 0 HHADHM Cc1[nH]c(C(=O)NCc2ccc([O-])c(Br)c2)c(C)c1C(=O)OC(C)C ZINC000488672772 999566778 /nfs/dbraw/zinc/56/67/78/999566778.db2.gz FIRQWFMNRWTHTG-UHFFFAOYSA-N -1 3 409.280 3.595 20 0 HHADHM CC(C)(C)C(=O)NCc1ccc(C(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000488673863 999567186 /nfs/dbraw/zinc/56/71/86/999567186.db2.gz HGWOAMYMYFAMOA-UHFFFAOYSA-N -1 3 419.319 3.747 20 0 HHADHM CC(=O)c1ccc(OCCCC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000488681955 999570465 /nfs/dbraw/zinc/57/04/65/999570465.db2.gz AEGYNEMBLBNTEW-UHFFFAOYSA-N -1 3 406.276 3.833 20 0 HHADHM CCc1c(C(=O)NCc2ccc([O-])c(Br)c2)cnn1Cc1ccccc1 ZINC000488684487 999571593 /nfs/dbraw/zinc/57/15/93/999571593.db2.gz LCBXRYHPKWHERS-UHFFFAOYSA-N -1 3 414.303 3.892 20 0 HHADHM COc1ccc(COCCC[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1 ZINC000488723668 999588561 /nfs/dbraw/zinc/58/85/61/999588561.db2.gz ITRBEOFKWZBEFZ-UHFFFAOYSA-N -1 3 421.412 3.738 20 0 HHADHM CCn1c2ccccc2nc1CC[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000488726685 999589686 /nfs/dbraw/zinc/58/96/86/999589686.db2.gz OZHPCBIPGHHDFN-UHFFFAOYSA-N -1 3 415.412 3.735 20 0 HHADHM O=S(=O)([N-]Cc1ccccc1Cn1cccn1)c1cc(C(F)(F)F)ccc1F ZINC000488848281 999626509 /nfs/dbraw/zinc/62/65/09/999626509.db2.gz AXFAYQGCTMLTNR-UHFFFAOYSA-N -1 3 413.396 3.568 20 0 HHADHM O=S(=O)([N-]Cc1cccc(Cn2ccnc2)c1)c1ccc(F)cc1C(F)(F)F ZINC000488854842 999628013 /nfs/dbraw/zinc/62/80/13/999628013.db2.gz OZBNDAXHQILNIE-UHFFFAOYSA-N -1 3 413.396 3.568 20 0 HHADHM O=S(=O)([N-]CCc1cnn(-c2ccccc2)c1)c1ccc(F)cc1C(F)(F)F ZINC000488856088 999628574 /nfs/dbraw/zinc/62/85/74/999628574.db2.gz LBFQVNNMYFWSTB-UHFFFAOYSA-N -1 3 413.396 3.551 20 0 HHADHM O=S(=O)([N-]Cc1cnn(Cc2ccccc2)c1)c1cc(C(F)(F)F)ccc1F ZINC000488887082 999637050 /nfs/dbraw/zinc/63/70/50/999637050.db2.gz BMTSQGNNDNNMJI-UHFFFAOYSA-N -1 3 413.396 3.568 20 0 HHADHM Cc1cc(C)c(NC(=O)C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c(C)c1 ZINC000488923021 999648297 /nfs/dbraw/zinc/64/82/97/999648297.db2.gz ZXHFXUXSWNXZTK-UHFFFAOYSA-N -1 3 418.412 3.687 20 0 HHADHM Cc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000480013026 999686129 /nfs/dbraw/zinc/68/61/29/999686129.db2.gz 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1010581809 /nfs/dbraw/zinc/58/18/09/1010581809.db2.gz JCRXXQUZPRHZSQ-UHFFFAOYSA-N -1 3 413.455 3.555 20 0 HHADHM C[C@H]1C[C@@H](c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)CCC1=O ZINC000551436474 1010585095 /nfs/dbraw/zinc/58/50/95/1010585095.db2.gz PFHWEHIUMHWHIJ-ONGXEEELSA-N -1 3 402.252 3.757 20 0 HHADHM CCc1nc(NC(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)sc1C ZINC000521745796 1010588933 /nfs/dbraw/zinc/58/89/33/1010588933.db2.gz YWAKEDNAYYCYOE-UHFFFAOYSA-N -1 3 422.359 3.628 20 0 HHADHM CCS[C@@H](C)c1noc(CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)n1 ZINC000545074823 1010595494 /nfs/dbraw/zinc/59/54/94/1010595494.db2.gz ZUXZTRBENPVMTD-VIFPVBQESA-N -1 3 410.348 3.712 20 0 HHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H](C)Cc2ccc(C)cc2C)cc1Cl ZINC000521772649 1010606951 /nfs/dbraw/zinc/60/69/51/1010606951.db2.gz BFCPKFXLGVLQCP-ZDUSSCGKSA-N -1 3 412.914 3.964 20 0 HHADHM Cn1ccc([C@@H]([N-]S(=O)(=O)c2cc(F)ccc2Cl)c2ccc(Cl)cc2)n1 ZINC000545123633 1010630435 /nfs/dbraw/zinc/63/04/35/1010630435.db2.gz 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O=C(NCc1ccc([O-])c(F)c1)N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1 ZINC000523462744 1011967169 /nfs/dbraw/zinc/96/71/69/1011967169.db2.gz LQDGLGWQKMMVFB-IBGZPJMESA-N -1 3 417.868 3.842 20 0 HHADHM CC(C)[C@H]1C[C@H](NC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)CCO1 ZINC000536773189 1011978826 /nfs/dbraw/zinc/97/88/26/1011978826.db2.gz VWYKBAHKTCFELQ-VQIMIIECSA-N -1 3 423.941 3.609 20 0 HHADHM O=C(N[C@H]1CC12CCCCC2)c1c[n-]c2ccc(I)cc2c1=O ZINC000536800671 1012021329 /nfs/dbraw/zinc/02/13/29/1012021329.db2.gz KAJAHIFMIHDBSZ-HNNXBMFYSA-N -1 3 422.266 3.585 20 0 HHADHM Cc1sc(NC(=O)c2cncc([N-]S(C)(=O)=O)c2)nc1-c1cccc(Cl)c1 ZINC000551989775 1012036565 /nfs/dbraw/zinc/03/65/65/1012036565.db2.gz IVNMUVVCDIQUGW-UHFFFAOYSA-N -1 3 422.919 3.791 20 0 HHADHM O=C(c1c[n-]c2c(Cl)cc(Br)cc2c1=O)N1CC(C(F)(F)F)C1 ZINC000551989101 1012037469 /nfs/dbraw/zinc/03/74/69/1012037469.db2.gz OMMLHZOONSJISD-UHFFFAOYSA-N -1 3 409.589 3.578 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc([C@H](C)N3CCOCC3)cc2)c(C)c1 ZINC000523643614 1012234397 /nfs/dbraw/zinc/23/43/97/1012234397.db2.gz SLPKKCJGDYGINS-KRWDZBQOSA-N -1 3 404.532 3.506 20 0 HHADHM O=C(NCc1cccc(OC(F)F)c1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000523650091 1012243877 /nfs/dbraw/zinc/24/38/77/1012243877.db2.gz CFIHGZBBXJPQDS-UHFFFAOYSA-N -1 3 423.213 3.822 20 0 HHADHM CC(C)c1nc(CCNC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)cs1 ZINC000523650458 1012244258 /nfs/dbraw/zinc/24/42/58/1012244258.db2.gz NIVMRMWLSXGEFE-UHFFFAOYSA-N -1 3 420.332 3.843 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC3)cc2C)c(C)c1 ZINC000523654717 1012246814 /nfs/dbraw/zinc/24/68/14/1012246814.db2.gz LVWVSKQGCCCBHY-UHFFFAOYSA-N -1 3 402.516 3.657 20 0 HHADHM COc1ccccc1[C@@H](NC(=O)NCc1cnc(C)[n-]c1=O)c1ccccc1Cl ZINC000541487798 1012261182 /nfs/dbraw/zinc/26/11/82/1012261182.db2.gz HVSKRFPKVDBRHI-IBGZPJMESA-N -1 3 412.877 3.741 20 0 HHADHM Cc1ccnn1-c1ccccc1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000541497825 1012276110 /nfs/dbraw/zinc/27/61/10/1012276110.db2.gz IAUAPHVCLHJDFJ-UHFFFAOYSA-N -1 3 401.264 3.971 20 0 HHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1c2c(nc3ccccc31)C(=Cc1ccccc1)CC2 ZINC000523684018 1012284569 /nfs/dbraw/zinc/28/45/69/1012284569.db2.gz WEDYDGCJZPCPTR-DGDHUYAWSA-N -1 3 424.504 3.963 20 0 HHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccccc1Nc1cccc(C(F)(F)F)c1 ZINC000523694385 1012296574 /nfs/dbraw/zinc/29/65/74/1012296574.db2.gz NXOAHOSUOUZRIV-HNNXBMFYSA-N -1 3 404.392 3.691 20 0 HHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1 ZINC000523693572 1012296992 /nfs/dbraw/zinc/29/69/92/1012296992.db2.gz HYGWBLNHVKUEGD-HNNXBMFYSA-N -1 3 407.367 3.753 20 0 HHADHM Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)c12 ZINC000523707138 1012312739 /nfs/dbraw/zinc/31/27/39/1012312739.db2.gz XFLKLNVPKFGYPK-UHFFFAOYSA-N -1 3 415.388 3.770 20 0 HHADHM Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)c12 ZINC000523707138 1012312751 /nfs/dbraw/zinc/31/27/51/1012312751.db2.gz XFLKLNVPKFGYPK-UHFFFAOYSA-N -1 3 415.388 3.770 20 0 HHADHM CCC(CC)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(Br)c2F)CCO1 ZINC000541538980 1012323145 /nfs/dbraw/zinc/32/31/45/1012323145.db2.gz UANBVKRTTVIMPD-JSGCOSHPSA-N -1 3 408.333 3.850 20 0 HHADHM COC1CCC(N(C)C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)CC1 ZINC000523719056 1012330255 /nfs/dbraw/zinc/33/02/55/1012330255.db2.gz VEBLMIOVTWXJTJ-UHFFFAOYSA-N -1 3 420.506 3.656 20 0 HHADHM O=C(NCC1(C(F)(F)F)CC1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000552334386 1012345519 /nfs/dbraw/zinc/34/55/19/1012345519.db2.gz JBJSAKNBYFTJSA-UHFFFAOYSA-N -1 3 416.396 3.699 20 0 HHADHM Cc1cc(Br)cc(C)c1S(=O)(=O)[N-]c1cccc(C[S@@](C)=O)c1 ZINC000523729417 1012346085 /nfs/dbraw/zinc/34/60/85/1012346085.db2.gz VNHIPOKOVZNCPC-JOCHJYFZSA-N -1 3 416.362 3.745 20 0 HHADHM CCN(CC)[C@@H](CNC(=O)c1nn(-c2ccccc2F)cc1[O-])c1ccsc1 ZINC000552362653 1012371210 /nfs/dbraw/zinc/37/12/10/1012371210.db2.gz HBWMMSJVBUMQKN-KRWDZBQOSA-N -1 3 402.495 3.591 20 0 HHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCN(Cc2ccc(C(C)C)cc2)CC1 ZINC000552431623 1012451157 /nfs/dbraw/zinc/45/11/57/1012451157.db2.gz UGGJFKQIFKBUGE-UHFFFAOYSA-N -1 3 410.562 3.870 20 0 HHADHM CCc1nc2ccccc2n1C1CCN(C(=O)CCc2c(C)nc(C)[n-]c2=O)CC1 ZINC000552500960 1012522679 /nfs/dbraw/zinc/52/26/79/1012522679.db2.gz VEVKAVFHLSGSLS-UHFFFAOYSA-N -1 3 407.518 3.507 20 0 HHADHM COc1cccc(-c2noc([C@@H](C)NCc3nc4c5ccccc5oc4c(=O)[n-]3)n2)c1 ZINC000541689294 1012530225 /nfs/dbraw/zinc/53/02/25/1012530225.db2.gz WZVAJDWZZRMKIA-GFCCVEGCSA-N -1 3 417.425 3.991 20 0 HHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H]2CCCOc3ccccc32)cc1Cl ZINC000552531572 1012550064 /nfs/dbraw/zinc/55/00/64/1012550064.db2.gz JISZBGZELFDRMN-HNNXBMFYSA-N -1 3 412.870 3.630 20 0 HHADHM CC[C@@H](NCc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1)c1cc(F)ccc1F ZINC000537157796 1012554865 /nfs/dbraw/zinc/55/48/65/1012554865.db2.gz XZDZTCRNMXBPHG-CYBMUJFWSA-N -1 3 407.442 3.599 20 0 HHADHM O=C([N-]c1cc(C(F)(F)F)ccc1SCC(F)F)c1cnc2n[nH]nc2c1 ZINC000541729045 1012581737 /nfs/dbraw/zinc/58/17/37/1012581737.db2.gz CDGBSIPEDXPTNT-UHFFFAOYSA-N -1 3 403.336 3.981 20 0 HHADHM COc1cc2c(cc1F)[n-]cc(C(=O)Nc1cc(NC(C)=O)ccc1Cl)c2=O ZINC000537208047 1012629524 /nfs/dbraw/zinc/62/95/24/1012629524.db2.gz TZSDIZYUUDIEGE-UHFFFAOYSA-N -1 3 403.797 3.540 20 0 HHADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CCO[C@@H](C2CCCCC2)C1 ZINC000541768187 1012633752 /nfs/dbraw/zinc/63/37/52/1012633752.db2.gz FDYSITBQKQRPHV-LJQANCHMSA-N -1 3 419.319 3.712 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]Cc2cc(Cl)ccc2N2CCOCC2)sc1Cl ZINC000541769950 1012635134 /nfs/dbraw/zinc/63/51/34/1012635134.db2.gz JKTCSJVPDXUEEN-UHFFFAOYSA-N -1 3 421.371 3.678 20 0 HHADHM Cc1noc(C)c1C[C@@H](C)[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000524123908 1012900994 /nfs/dbraw/zinc/90/09/94/1012900994.db2.gz GUYGUELOEJOJQW-SNVBAGLBSA-N -1 3 411.936 3.978 20 0 HHADHM O=C(Nc1ccc(F)cc1OC1CCOCC1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000552951165 1012937600 /nfs/dbraw/zinc/93/76/00/1012937600.db2.gz YAQHURDYPAZVON-UHFFFAOYSA-N -1 3 418.371 3.756 20 0 HHADHM CCN1CC[C@@H](NC(=O)NCc2ccc([O-])c(F)c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542044863 1012949292 /nfs/dbraw/zinc/94/92/92/1012949292.db2.gz LRKSUNNTNAAJLJ-VQIMIIECSA-N -1 3 411.399 3.583 20 0 HHADHM Cc1ccc(Cc2cnc(NC(=O)CNC(=O)c3ccc([O-])cc3)s2)cc1Cl ZINC000524176154 1012971011 /nfs/dbraw/zinc/97/10/11/1012971011.db2.gz GFBYXEMLMOVXCI-UHFFFAOYSA-N -1 3 415.902 3.770 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(-n3nc(C)cc3C)c(F)c2)c(C)c1F ZINC000542093479 1013019894 /nfs/dbraw/zinc/01/98/94/1013019894.db2.gz HZVFBQZRBYECDL-UHFFFAOYSA-N -1 3 407.442 3.885 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ncccn3)cc2C)c(C)c1F ZINC000542093681 1013021199 /nfs/dbraw/zinc/02/11/99/1013021199.db2.gz KFZPATDBTXLXLP-UHFFFAOYSA-N -1 3 403.435 3.834 20 0 HHADHM CC(C)(C)OC(=O)N=c1[n-]cc(-c2nc(CC(=O)Nc3ccccc3)no2)s1 ZINC000904388047 1071756036 /nfs/dbraw/zinc/75/60/36/1071756036.db2.gz PVFSSPHTHKLLKT-UHFFFAOYSA-N -1 3 401.448 3.721 20 0 HHADHM COc1cccc([O-])c1C(=O)N1C[C@H]2CCCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC001648988717 1071842848 /nfs/dbraw/zinc/84/28/48/1071842848.db2.gz ARRNPTGVASZDEE-QRQCRPRQSA-N -1 3 404.507 3.558 20 0 HHADHM CC(C)([N-]S(=O)(=O)c1cc(F)ccc1Br)C(=O)c1ccccc1 ZINC001211993534 1071856716 /nfs/dbraw/zinc/85/67/16/1071856716.db2.gz UYLCPBPVEQOJHW-UHFFFAOYSA-N -1 3 400.269 3.528 20 0 HHADHM CSCC[C@H]([N-]S(=O)(=O)c1ccccc1)c1nc(Cc2cccc(F)c2)no1 ZINC000904731795 1071871580 /nfs/dbraw/zinc/87/15/80/1071871580.db2.gz KEIFOYLNYATBSH-KRWDZBQOSA-N -1 3 421.519 3.572 20 0 HHADHM CSCC[C@H]([N-]S(=O)(=O)c1ccccc1)c1nc(-c2ccccc2F)no1 ZINC000904776325 1071881842 /nfs/dbraw/zinc/88/18/42/1071881842.db2.gz FJLBFOGPRKWNFA-INIZCTEOSA-N -1 3 407.492 3.648 20 0 HHADHM CSCC[C@@H]([N-]S(=O)(=O)c1ccccc1)c1nc(-c2ccccc2F)no1 ZINC000904776328 1071881867 /nfs/dbraw/zinc/88/18/67/1071881867.db2.gz FJLBFOGPRKWNFA-MRXNPFEDSA-N -1 3 407.492 3.648 20 0 HHADHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2c(C)sc(C)c2Br)o1 ZINC001212049744 1071932304 /nfs/dbraw/zinc/93/23/04/1071932304.db2.gz ARVITCVJTCNNAL-UHFFFAOYSA-N -1 3 407.355 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Cc1cc(Br)c(S(=O)(=O)[N-]C[C@]2(C)OCCc3sccc32)s1 ZINC000571248280 1072590960 /nfs/dbraw/zinc/59/09/60/1072590960.db2.gz HYGBSIQAHYGFRN-AWEZNQCLSA-N -1 3 422.391 3.647 20 0 HHADHM Cc1cccnc1C(C)(C)C[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000571485691 1072635140 /nfs/dbraw/zinc/63/51/40/1072635140.db2.gz KGIKZSOLOIYGKU-UHFFFAOYSA-N -1 3 401.301 3.548 20 0 HHADHM C[C@@H]1c2ccccc2CCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC001126822200 1072682646 /nfs/dbraw/zinc/68/26/46/1072682646.db2.gz ZXBQXUYCAVEUEB-CQSZACIVSA-N -1 3 404.507 3.662 20 0 HHADHM COc1ccc([C@H](NC(=O)CCNC(=O)c2ccc(C)cc2[O-])c2ccccc2)cc1 ZINC000588009506 1072743636 /nfs/dbraw/zinc/74/36/36/1072743636.db2.gz JQGDUFLUXJCVRV-XMMPIXPASA-N -1 3 418.493 3.735 20 0 HHADHM CC(=O)Nc1ccc(S(=O)(=O)[N-][C@](C)(C2CC2)C(F)(F)F)c2ccccc12 ZINC000479148108 1072769648 /nfs/dbraw/zinc/76/96/48/1072769648.db2.gz OUBIFSOUQDBMMM-QGZVFWFLSA-N -1 3 400.422 3.808 20 0 HHADHM O=C([N-]c1c(Cl)ncnc1-n1cccn1)c1cc(-c2ccccc2Cl)on1 ZINC001126865472 1072852950 /nfs/dbraw/zinc/85/29/50/1072852950.db2.gz FZLMYQNFAKCTFB-UHFFFAOYSA-N -1 3 401.213 3.876 20 0 HHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1 ZINC000898525752 1072869999 /nfs/dbraw/zinc/86/99/99/1072869999.db2.gz XLMXRRDTZBSZTD-UHFFFAOYSA-N -1 3 424.480 3.990 20 0 HHADHM COc1cccc(N2CC[C@@H](C[N-]S(=O)(=O)c3c(Cl)cccc3Cl)C2)c1 ZINC000588174476 1072882238 /nfs/dbraw/zinc/88/22/38/1072882238.db2.gz CBXMNFFEFUPZPT-ZDUSSCGKSA-N -1 3 415.342 3.807 20 0 HHADHM COc1ccccc1COC[C@@H](O)CSc1nnc([N-]c2ccccc2F)s1 ZINC000588344625 1073027693 /nfs/dbraw/zinc/02/76/93/1073027693.db2.gz MZIDLQVHOKQMMT-CQSZACIVSA-N -1 3 421.519 4.099 20 0 HHADHM COc1cc(N2CCN(Cc3nc4c5ccccc5oc4c(=O)[n-]3)CC2)ccc1F ZINC000555128699 1073178438 /nfs/dbraw/zinc/17/84/38/1073178438.db2.gz IGLJTUBHWKODMO-UHFFFAOYSA-N -1 3 408.433 3.552 20 0 HHADHM Cn1c2cc([N-]S(=O)(=O)c3ccc(OCc4ccccc4)cc3)ccc2oc1=O ZINC000555123334 1073189818 /nfs/dbraw/zinc/18/98/18/1073189818.db2.gz INTGKOCPWCMZOI-UHFFFAOYSA-N -1 3 410.451 3.511 20 0 HHADHM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@H](C)COC1CCCC1)c1ccc2ccccc2c1 ZINC000555338442 1073352281 /nfs/dbraw/zinc/35/22/81/1073352281.db2.gz CMZTURHCLQXJLL-IERDGZPVSA-N -1 3 419.543 3.569 20 0 HHADHM Cc1ccccc1S(=O)(=O)[N-]c1cc(-c2nnc3n2CCCCC3)ccc1F ZINC000590029062 1073484494 /nfs/dbraw/zinc/48/44/94/1073484494.db2.gz KRRCFZADSNRLFS-UHFFFAOYSA-N -1 3 400.479 3.920 20 0 HHADHM COc1ccc(CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)c(OC)c1OC ZINC000590069973 1073545559 /nfs/dbraw/zinc/54/55/59/1073545559.db2.gz JGTBUOKCFIGKFB-UHFFFAOYSA-N -1 3 420.314 3.540 20 0 HHADHM O=C(/C=C\c1ccc2ccc(Cl)cc2n1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000760777538 1073790559 /nfs/dbraw/zinc/79/05/59/1073790559.db2.gz ZYZOQXVAOXFTOD-KTKRTIGZSA-N -1 3 421.884 3.592 20 0 HHADHM O=C(c1ccccc1[O-])N1CCN(C(=O)c2ccccc2SC(F)(F)F)CC1 ZINC000760776113 1073799595 /nfs/dbraw/zinc/79/95/95/1073799595.db2.gz HLHSPGCOLAPIAS-UHFFFAOYSA-N -1 3 410.417 3.602 20 0 HHADHM CC(C)[C@H](C(=O)Nc1ccc(Br)cc1[O-])S(=O)(=O)C1CCCCC1 ZINC000590701388 1073983221 /nfs/dbraw/zinc/98/32/21/1073983221.db2.gz LBEHWDUEZSTHSF-MRXNPFEDSA-N -1 3 418.353 3.865 20 0 HHADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000590917257 1074037506 /nfs/dbraw/zinc/03/75/06/1074037506.db2.gz PWQXYKVPSQIAFZ-UHFFFAOYSA-N -1 3 400.438 3.598 20 0 HHADHM CC(C)(C)c1cnc(COC(=O)c2ccc(I)c([O-])c2)o1 ZINC000760811478 1074156028 /nfs/dbraw/zinc/15/60/28/1074156028.db2.gz GSAFIXZDHUBBTA-UHFFFAOYSA-N -1 3 401.200 3.639 20 0 HHADHM COC(=O)CCCc1csc([N-]C(=O)c2cc(-c3c(F)cccc3F)no2)n1 ZINC001126985848 1074176125 /nfs/dbraw/zinc/17/61/25/1074176125.db2.gz LKCLQRGGDBLPMN-UHFFFAOYSA-N -1 3 407.398 3.824 20 0 HHADHM CO[C@@](C)(C(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21)c1ccccc1 ZINC001649005912 1074180522 /nfs/dbraw/zinc/18/05/22/1074180522.db2.gz LHBABLLNLHJOBB-YCRPNKLZSA-N -1 3 420.431 3.747 20 0 HHADHM COc1ccccc1-c1noc([C@@H]([N-]S(=O)(=O)c2ccc(C)cc2)C(C)C)n1 ZINC000904271035 1074189198 /nfs/dbraw/zinc/18/91/98/1074189198.db2.gz XSBUODNPFMJARI-SFHVURJKSA-N 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967165212 /nfs/dbraw/zinc/16/52/12/967165212.db2.gz WSLDNGINQWJMQU-UHFFFAOYSA-N -1 3 404.857 3.683 20 0 HHADHM CC(C)CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1 ZINC000044257249 967177924 /nfs/dbraw/zinc/17/79/24/967177924.db2.gz CWLNACWCQJYTOU-UHFFFAOYSA-N -1 3 400.456 3.578 20 0 HHADHM Cc1ccc([C@@H]2CCCN2C(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)cc1C ZINC000064823686 967301136 /nfs/dbraw/zinc/30/11/36/967301136.db2.gz QMXXQJSWKVWJMT-FQEVSTJZSA-N -1 3 416.518 3.861 20 0 HHADHM O=C(c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)N1CCC[C@@H]1c1cccs1 ZINC000045018068 967332877 /nfs/dbraw/zinc/33/28/77/967332877.db2.gz JHPUUWYHGSRAQT-QGZVFWFLSA-N -1 3 419.503 3.993 20 0 HHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CCSCc1cccc2ccccc21 ZINC000064965359 967341908 /nfs/dbraw/zinc/34/19/08/967341908.db2.gz SSEYLPWNGJDRCJ-UHFFFAOYSA-N -1 3 409.964 3.747 20 0 HHADHM CC(C)[C@@H](NC(=O)N[N-]C(=O)c1ccccc1Br)c1ccc(F)cc1 ZINC000045152124 967364054 /nfs/dbraw/zinc/36/40/54/967364054.db2.gz XHHNAKYPVKMMLS-MRXNPFEDSA-N -1 3 408.271 3.930 20 0 HHADHM CCN(CC)Cc1ccc(C(=O)[N-]NC(=O)C2(c3cccc(F)c3)CCCCC2)o1 ZINC000065124588 967388828 /nfs/dbraw/zinc/38/88/28/967388828.db2.gz FXQZHAMGZLWADU-UHFFFAOYSA-N -1 3 415.509 3.924 20 0 HHADHM CCN(CC)Cc1ccc(C(=O)[N-]NC(=O)[C@H](Oc2ccccc2)c2ccccc2)o1 ZINC000065124658 967388985 /nfs/dbraw/zinc/38/89/85/967388985.db2.gz SGOVEHVSTCKUOZ-JOCHJYFZSA-N -1 3 421.497 3.703 20 0 HHADHM O=C(NCCc1ccccc1)c1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1 ZINC000065126120 967389937 /nfs/dbraw/zinc/38/99/37/967389937.db2.gz NXROJIPVSFLLGV-UHFFFAOYSA-N -1 3 411.461 3.753 20 0 HHADHM O=C(C=Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NN=C([O-])NCc1ccco1 ZINC000065177278 967400117 /nfs/dbraw/zinc/40/01/17/967400117.db2.gz GRRDBERHMASGTA-ONEGZZNKSA-N -1 3 421.297 3.861 20 0 HHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000065269091 967422304 /nfs/dbraw/zinc/42/23/04/967422304.db2.gz FPFDBPAGPNOPFR-UHFFFAOYSA-N -1 3 410.754 3.945 20 0 HHADHM O=C(Nc1ccc(F)c(C(F)(F)F)c1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000065429722 967462329 /nfs/dbraw/zinc/46/23/29/967462329.db2.gz RYTAAOKMUZSONU-UHFFFAOYSA-N -1 3 411.355 3.540 20 0 HHADHM CC(C)COc1ccccc1NC(=O)CS(=O)(=O)[N-]c1ccc(OC(C)C)cc1 ZINC000065502580 967496715 /nfs/dbraw/zinc/49/67/15/967496715.db2.gz HTPVHHATBARLON-UHFFFAOYSA-N -1 3 420.531 3.889 20 0 HHADHM O=C(c1c[nH]cc1-c1ccc(Cl)s1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000065514215 967501895 /nfs/dbraw/zinc/50/18/95/967501895.db2.gz CZAQIPZPDZDBNH-UHFFFAOYSA-N -1 3 415.902 3.700 20 0 HHADHM CCCOCC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(OCC)cc2)c1 ZINC000065579515 967533026 /nfs/dbraw/zinc/53/30/26/967533026.db2.gz QMSMTEIRGYJMLT-UHFFFAOYSA-N -1 3 406.504 3.560 20 0 HHADHM O=c1[n-]c(CN[C@@H](CO)c2ccc(C(F)(F)F)cc2)nc2c3ccccc3oc21 ZINC000542881674 1013730465 /nfs/dbraw/zinc/73/04/65/1013730465.db2.gz TXFBGZBLLFXSHT-AWEZNQCLSA-N -1 3 403.360 3.924 20 0 HHADHM O=C(OCc1ccccc1)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000045916635 967593196 /nfs/dbraw/zinc/59/31/96/967593196.db2.gz MCZLCWKAIVLIHG-UHFFFAOYSA-N -1 3 400.283 3.791 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(NC(=O)[C@@H]4C[C@@H]4C)cc3)c2)n1 ZINC000046067154 967651001 /nfs/dbraw/zinc/65/10/01/967651001.db2.gz POMGRBVFJWVLKX-VBKZILBWSA-N -1 3 416.481 3.846 20 0 HHADHM CCOc1cc(F)ccc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000046520300 967837657 /nfs/dbraw/zinc/83/76/57/967837657.db2.gz DRFCWDQATLDVBW-UHFFFAOYSA-N -1 3 412.458 3.693 20 0 HHADHM CC[C@H](CNC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O)N1CCc2ccccc2C1 ZINC000046813741 967976296 /nfs/dbraw/zinc/97/62/96/967976296.db2.gz FFDMQFOELIQUGT-QGZVFWFLSA-N -1 3 408.527 3.565 20 0 HHADHM CCOC(=O)Cc1nnc([N-]C(=O)c2oc3c(cccc3Br)c2C)s1 ZINC000542926665 1013762112 /nfs/dbraw/zinc/76/21/12/1013762112.db2.gz VCUOMBPZYQATIR-UHFFFAOYSA-N -1 3 424.276 3.713 20 0 HHADHM COc1ccc(C)cc1NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000047268378 968112923 /nfs/dbraw/zinc/11/29/23/968112923.db2.gz AJCDETHZTYISNL-UHFFFAOYSA-N -1 3 403.435 3.524 20 0 HHADHM O=C(COC(=O)CCOc1ccccc1-c1ccccc1)[N-]C(=O)c1cccs1 ZINC000047818619 968333196 /nfs/dbraw/zinc/33/31/96/968333196.db2.gz LCHJINMYJSSIGR-UHFFFAOYSA-N -1 3 409.463 3.684 20 0 HHADHM C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])c1ccc(Br)cc1 ZINC000048015220 968390635 /nfs/dbraw/zinc/39/06/35/968390635.db2.gz PPSKKAVWJGEPFS-GUYCJALGSA-N -1 3 417.303 3.637 20 0 HHADHM Cc1cc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])ccc1Br ZINC000048030582 968394177 /nfs/dbraw/zinc/39/41/77/968394177.db2.gz JBHSORIAWBMEMM-MRXNPFEDSA-N -1 3 403.276 3.706 20 0 HHADHM O=S(=O)([N-]c1cccc(Cl)c1F)c1ccc(I)cc1 ZINC000048430204 968552118 /nfs/dbraw/zinc/55/21/18/968552118.db2.gz RRDMMLVIJHMURY-UHFFFAOYSA-N -1 3 411.623 3.885 20 0 HHADHM COc1ccccc1CC(=O)N[N-]C(=O)c1cccnc1Sc1ccc(C)cc1C ZINC000065665013 968580163 /nfs/dbraw/zinc/58/01/63/968580163.db2.gz LNEYSTDPJQTWPF-UHFFFAOYSA-N -1 3 421.522 3.862 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000065727793 968615682 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CC(C)(C)OC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000392724262 972856575 /nfs/dbraw/zinc/85/65/75/972856575.db2.gz KHQZCJKFFCYIKC-ZDUSSCGKSA-N -1 3 401.937 3.633 20 0 HHADHM C[C@]1([N-]S(=O)(=O)c2cc(Br)ccc2Br)CC=CCC1 ZINC000398268628 972878864 /nfs/dbraw/zinc/87/88/64/972878864.db2.gz YVAVBZZGYYCQPZ-ZDUSSCGKSA-N -1 3 409.143 3.989 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)CC2CC(c3ccccc3)C2)cc1OC ZINC000409481240 972931463 /nfs/dbraw/zinc/93/14/63/972931463.db2.gz ABEVYJWFKSJSDY-UHFFFAOYSA-N -1 3 402.516 3.979 20 0 HHADHM Cc1nc([C@H]([N-]S(=O)(=O)Cc2cc(C)cc(C)c2)c2ccc(Cl)cc2)no1 ZINC000409494307 972946279 /nfs/dbraw/zinc/94/62/79/972946279.db2.gz NYOWKBVNHMGLKR-GOSISDBHSA-N -1 3 405.907 3.857 20 0 HHADHM Cc1nc(C)c(CCC(=O)Nc2cccc(NC(=O)c3ccccc3)c2C)c(=O)[n-]1 ZINC000409494955 972946378 /nfs/dbraw/zinc/94/63/78/972946378.db2.gz JLRGJTDGUKFQNV-UHFFFAOYSA-N -1 3 404.470 3.931 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@H](c4ncc5n4CCCC5)C3)nc2)n1 ZINC000409635459 973083411 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3.682 20 0 HHADHM Cc1ccc(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)c(Sc2ccccc2)n1 ZINC000427069919 974875597 /nfs/dbraw/zinc/87/55/97/974875597.db2.gz OXJHWOSYHQALQR-UHFFFAOYSA-N -1 3 402.483 3.897 20 0 HHADHM Cc1ccc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)c(Sc2ccccc2)n1 ZINC000427069919 974875601 /nfs/dbraw/zinc/87/56/01/974875601.db2.gz OXJHWOSYHQALQR-UHFFFAOYSA-N -1 3 402.483 3.897 20 0 HHADHM Cc1cccc(COc2cccc(CC(=O)Nc3ccc(Cc4nnn[n-]4)cc3)c2)c1 ZINC000427085141 974891119 /nfs/dbraw/zinc/89/11/19/974891119.db2.gz CRCCKGSPIQDYKT-UHFFFAOYSA-N -1 3 413.481 3.859 20 0 HHADHM Cc1cccc(COc2cccc(CC(=O)Nc3ccc(Cc4nn[n-]n4)cc3)c2)c1 ZINC000427085141 974891122 /nfs/dbraw/zinc/89/11/22/974891122.db2.gz CRCCKGSPIQDYKT-UHFFFAOYSA-N -1 3 413.481 3.859 20 0 HHADHM Cn1cc(Br)cc(NC(=O)c2c[n-]nc2-c2ccc(Cl)s2)c1=O ZINC000427138689 974933999 /nfs/dbraw/zinc/93/39/99/974933999.db2.gz XVLDSGJAZXRPDC-UHFFFAOYSA-N -1 3 413.684 3.505 20 0 HHADHM CCOC(=O)c1cc(COC)cc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)c1 ZINC000427139106 974934660 /nfs/dbraw/zinc/93/46/60/974934660.db2.gz CBTQZQSIVGHMES-UHFFFAOYSA-N -1 3 401.843 3.603 20 0 HHADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1 ZINC000427139612 974934775 /nfs/dbraw/zinc/93/47/75/974934775.db2.gz IHYRNSJZDPBKNK-UHFFFAOYSA-N -1 3 410.377 3.520 20 0 HHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cnn(-c2ncc(Cl)cc2Cl)c1 ZINC000427175417 974956743 /nfs/dbraw/zinc/95/67/43/974956743.db2.gz CMJNTHVCFHZWDX-UHFFFAOYSA-N -1 3 421.288 3.928 20 0 HHADHM C[C@H]([N-]S(=O)(=O)c1cccc(C(F)(F)F)c1)c1nc(Cc2ccccc2)no1 ZINC000427276848 975020087 /nfs/dbraw/zinc/02/00/87/975020087.db2.gz QALJOABZDFNTGB-LBPRGKRZSA-N -1 3 411.405 3.719 20 0 HHADHM COCc1cc(C(=O)OC)cc(S(=O)(=O)[N-]c2ccc(-c3ccco3)cc2F)c1 ZINC000427345574 975068114 /nfs/dbraw/zinc/06/81/14/975068114.db2.gz FYEVGQYMNKJXLV-UHFFFAOYSA-N -1 3 419.430 3.820 20 0 HHADHM CCC1(CNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(OC)cc3)c2)CC1 ZINC000427359208 975076197 /nfs/dbraw/zinc/07/61/97/975076197.db2.gz MPKMMWPSFIHCKK-UHFFFAOYSA-N -1 3 402.516 3.724 20 0 HHADHM O=C(c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000427361701 975078235 /nfs/dbraw/zinc/07/82/35/975078235.db2.gz GOTYDCWUMICCPL-IAGOWNOFSA-N -1 3 402.491 3.889 20 0 HHADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1CC[C@@H](C(=O)Nc2cc(Cl)ccc2O)O1 ZINC000427652417 975225061 /nfs/dbraw/zinc/22/50/61/975225061.db2.gz DOGQWBDCBGTWMV-HOTGVXAUSA-N -1 3 411.241 3.529 20 0 HHADHM O=C(Nc1cc(Br)ccc1[O-])[C@H](O)Cc1cccc(C(F)(F)F)c1 ZINC000427662986 975230413 /nfs/dbraw/zinc/23/04/13/975230413.db2.gz BSFTVFVVMHIVMO-CQSZACIVSA-N -1 3 404.182 3.716 20 0 HHADHM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CCCN2Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC000427786981 975287892 /nfs/dbraw/zinc/28/78/92/975287892.db2.gz FPAJWOPYYQNUAB-HBMCJLEFSA-N -1 3 412.917 3.631 20 0 HHADHM COCCN(Cc1cc(Br)cs1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000427788747 975289271 /nfs/dbraw/zinc/28/92/71/975289271.db2.gz KTTNUVZOWNYGJV-UHFFFAOYSA-N -1 3 421.316 3.641 20 0 HHADHM Cc1c2cc(Br)cc(C)c2oc1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000427831883 975312880 /nfs/dbraw/zinc/31/28/80/975312880.db2.gz LINCMHQHGMYFRV-UHFFFAOYSA-N -1 3 417.185 3.879 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3ccc(OCCOC)cc3)c2)n1 ZINC000428221546 975543017 /nfs/dbraw/zinc/54/30/17/975543017.db2.gz RJUVQNSZKKYVOT-UHFFFAOYSA-N -1 3 407.470 3.618 20 0 HHADHM COC(=O)c1cc(C)nc2nc(SCc3coc(-c4cccs4)n3)[n-]c(=O)c12 ZINC000428266737 975581481 /nfs/dbraw/zinc/58/14/81/975581481.db2.gz LZLYBWQVIXHVGJ-UHFFFAOYSA-N -1 3 414.468 3.834 20 0 HHADHM O=S(=O)([N-]C[C@]1(CO)C[C@H]1c1ccc(F)cc1)c1c(Cl)cccc1Cl ZINC000428368453 975688299 /nfs/dbraw/zinc/68/82/99/975688299.db2.gz DJGJNEUFLLSESU-GUYCJALGSA-N -1 3 404.290 3.577 20 0 HHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@]2(CO)C[C@H]2c2ccc(F)cc2)c1Cl ZINC000428394543 975715285 /nfs/dbraw/zinc/71/52/85/975715285.db2.gz BMAMTVPLAVCOQG-KSSFIOAISA-N -1 3 418.317 3.885 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CC[C@@H]4CCC[C@@H]43)ccc2C)cc1 ZINC000428544965 975849402 /nfs/dbraw/zinc/84/94/02/975849402.db2.gz YZSRUNVJXHLHSW-JXFKEZNVSA-N -1 3 414.527 3.819 20 0 HHADHM O=C([N-]c1ncn(Cc2ccc(Cl)cc2)n1)c1cnc(OCc2ccccc2)cn1 ZINC000428624495 975928850 /nfs/dbraw/zinc/92/88/50/975928850.db2.gz UOBFHGHHBWRRLR-UHFFFAOYSA-N -1 3 420.860 3.601 20 0 HHADHM Cc1nc(C)c(CC(=O)N[C@@H](CC2CC2)c2cc(F)cc(Br)c2)c(=O)[n-]1 ZINC000428785139 976059910 /nfs/dbraw/zinc/05/99/10/976059910.db2.gz PWISFBRJPRUNEO-KRWDZBQOSA-N -1 3 422.298 3.901 20 0 HHADHM Cc1noc(C[C@@H](NCc2nc3c4ccccc4oc3c(=O)[n-]2)c2ccccc2)n1 ZINC000429545108 976809954 /nfs/dbraw/zinc/80/99/54/976809954.db2.gz DVWPBAXAEBFRJV-MRXNPFEDSA-N -1 3 401.426 3.847 20 0 HHADHM COC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429827396 977097736 /nfs/dbraw/zinc/09/77/36/977097736.db2.gz MBANPQNLLLVADK-CQSZACIVSA-N -1 3 418.740 3.639 20 0 HHADHM COc1cccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3c(C)cc(F)cc3C)n2)c1 ZINC000429833945 977104259 /nfs/dbraw/zinc/10/42/59/977104259.db2.gz XIZVPZPSSWBTOJ-CYBMUJFWSA-N -1 3 405.451 3.541 20 0 HHADHM CCc1nc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2Br)cs1 ZINC000429851367 977123513 /nfs/dbraw/zinc/12/35/13/977123513.db2.gz QHSSWKGXNFYFFC-UHFFFAOYSA-N -1 3 409.758 3.642 20 0 HHADHM C[C@@H](CC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429862273 977135003 /nfs/dbraw/zinc/13/50/03/977135003.db2.gz YWMVWHCXTUVKFE-VIFPVBQESA-N -1 3 412.733 3.501 20 0 HHADHM O=S(=O)([N-]Cc1c(F)cc(F)c(F)c1F)c1cc(F)ccc1Br ZINC000429875666 977150397 /nfs/dbraw/zinc/15/03/97/977150397.db2.gz CGZLLLKMJJWLET-UHFFFAOYSA-N -1 3 416.165 3.623 20 0 HHADHM COCC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)c1ccco1 ZINC000429890071 977167033 /nfs/dbraw/zinc/16/70/33/977167033.db2.gz WQJHJQOANHWFDT-LBPRGKRZSA-N -1 3 408.701 3.752 20 0 HHADHM Cc1ncc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)s1 ZINC000430034560 977285870 /nfs/dbraw/zinc/28/58/70/977285870.db2.gz UOSHHELDKZHGSQ-XYPYZODXSA-N -1 3 405.314 3.578 20 0 HHADHM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccc(Cc2nnc3ccccn32)cc1 ZINC000430372944 977509297 /nfs/dbraw/zinc/50/92/97/977509297.db2.gz CWAOQFHFOAMYIP-UHFFFAOYSA-N -1 3 410.474 3.877 20 0 HHADHM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3c4c(ccc3Cl)CC(C)(C)O4)ccc21 ZINC000430372831 977509515 /nfs/dbraw/zinc/50/95/15/977509515.db2.gz GZECGZGHOUTOKR-UHFFFAOYSA-N -1 3 420.918 3.763 20 0 HHADHM CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2c3c(ccc2Cl)CC(C)(C)O3)c1 ZINC000430380926 977514084 /nfs/dbraw/zinc/51/40/84/977514084.db2.gz YFIAHQVSULSFFD-UHFFFAOYSA-N -1 3 408.907 3.556 20 0 HHADHM O=C(NCc1ccc(O)cc1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430448740 977559052 /nfs/dbraw/zinc/55/90/52/977559052.db2.gz MEQWLYOJGLVLBR-UHFFFAOYSA-N -1 3 407.651 3.580 20 0 HHADHM CC[C@H]1CN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)C[C@@H](C)O1 ZINC000430556008 977629942 /nfs/dbraw/zinc/62/99/42/977629942.db2.gz PULYNKZRXUAQRA-KOLCDFICSA-N -1 3 413.699 3.584 20 0 HHADHM CC1(C)C[C@@H](NC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)CCO1 ZINC000430572112 977638455 /nfs/dbraw/zinc/63/84/55/977638455.db2.gz PHKOFYISSZAMJA-JTQLQIEISA-N -1 3 413.699 3.631 20 0 HHADHM O=C(Nc1nnc2n1CCCC2)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430580179 977642329 /nfs/dbraw/zinc/64/23/29/977642329.db2.gz RGINUPHYHHOYQY-UHFFFAOYSA-N -1 3 401.426 3.501 20 0 HHADHM O=C(NCCCc1ccccn1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430580993 977643493 /nfs/dbraw/zinc/64/34/93/977643493.db2.gz IKPZBQIYTUPUNS-UHFFFAOYSA-N -1 3 420.694 3.702 20 0 HHADHM O=C(Nc1cc(C(F)(F)F)[nH]n1)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430598616 977650148 /nfs/dbraw/zinc/65/01/48/977650148.db2.gz DFNYQSNLSUDQAK-UHFFFAOYSA-N -1 3 414.343 4.315 20 0 HHADHM C[C@@H]1N(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)CCOC1(C)C ZINC000430610752 977654200 /nfs/dbraw/zinc/65/42/00/977654200.db2.gz LSYFITAPXURANC-VIFPVBQESA-N -1 3 413.699 3.584 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@H]1c2cccc(F)c2CC[C@H]1C ZINC000431045098 977975505 /nfs/dbraw/zinc/97/55/05/977975505.db2.gz MQQCVLNPZJVBJX-JLCFBVMHSA-N -1 3 420.488 3.652 20 0 HHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@H]1c2cccc(F)c2CC[C@@H]1C ZINC000431052107 977980989 /nfs/dbraw/zinc/98/09/89/977980989.db2.gz UHPRFSYUVIISDK-YEJXKQKISA-N -1 3 406.461 3.674 20 0 HHADHM COC(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2Br)c1Cl ZINC000431180787 978079969 /nfs/dbraw/zinc/07/99/69/978079969.db2.gz IIWSWIQVUWPKPT-UHFFFAOYSA-N -1 3 418.696 3.998 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)Nc2ccc(O)cc2OC(C)C)cc1OC ZINC000431553963 978357729 /nfs/dbraw/zinc/35/77/29/978357729.db2.gz XNQVZTXNUYMNIS-UHFFFAOYSA-N -1 3 423.491 3.594 20 0 HHADHM COc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)F)c(Br)c1 ZINC000431614259 978385884 /nfs/dbraw/zinc/38/58/84/978385884.db2.gz MVLMKUPBAKARCV-CQSZACIVSA-N -1 3 406.248 3.742 20 0 HHADHM COC(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3nnc4n3CCCCC4)c2)[n-]1 ZINC000431752609 978484500 /nfs/dbraw/zinc/48/45/00/978484500.db2.gz MEJJYCAQWOXUKC-UHFFFAOYSA-N -1 3 413.865 3.692 20 0 HHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1nc(-c2c[nH]c3ncccc23)c(C)s1 ZINC000431859657 978556242 /nfs/dbraw/zinc/55/62/42/978556242.db2.gz OHRYLIQWAXOGKP-UHFFFAOYSA-N -1 3 412.500 3.773 20 0 HHADHM COCCOc1ccc(F)cc1S(=O)(=O)[N-]c1cc(C(C)=O)ccc1Cl ZINC000432084799 978674044 /nfs/dbraw/zinc/67/40/44/978674044.db2.gz JYJYOZFWNLGUGZ-UHFFFAOYSA-N -1 3 401.843 3.508 20 0 HHADHM O=c1ccc2cc(S(=O)(=O)[N-]c3ccc(-n4cnc5ccccc54)cc3)ccc2[nH]1 ZINC000432202959 978712277 /nfs/dbraw/zinc/71/22/77/978712277.db2.gz RQUHWTKGCYRUAZ-UHFFFAOYSA-N -1 3 416.462 3.668 20 0 HHADHM Cc1nc([C@@](C)([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)no1 ZINC000432272474 978738065 /nfs/dbraw/zinc/73/80/65/978738065.db2.gz UIBYSKCOXIAWBU-AWEZNQCLSA-N -1 3 409.817 3.654 20 0 HHADHM COC(=O)c1sccc1S(=O)(=O)[N-]CC[C@@H](c1ccccc1)C(F)(F)F ZINC000432276573 978739708 /nfs/dbraw/zinc/73/97/08/978739708.db2.gz YOSQLNCPVQFRAC-LBPRGKRZSA-N -1 3 407.435 3.549 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)NCC3CCC(C(C)C)CC3)c2)n1 ZINC000432330542 978763284 /nfs/dbraw/zinc/76/32/84/978763284.db2.gz CBRWRFNPLVRKPT-UHFFFAOYSA-N -1 3 424.545 3.929 20 0 HHADHM CN(C)[C@@H]1CCOc2c([N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3)cccc21 ZINC000432478914 978836823 /nfs/dbraw/zinc/83/68/23/978836823.db2.gz OTQLMSBGZCCGQC-MRXNPFEDSA-N -1 3 400.422 3.891 20 0 HHADHM CC(=O)[C@@H](C)CCCCC(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000432497749 978849667 /nfs/dbraw/zinc/84/96/67/978849667.db2.gz ZTXXODVTWOZIMD-NSHDSACASA-N -1 3 408.442 3.801 20 0 HHADHM Cc1nc(C)c(CCC(=O)N2CC[C@@H](Cc3ccc(Br)cc3)C2)c(=O)[n-]1 ZINC000432552352 978881752 /nfs/dbraw/zinc/88/17/52/978881752.db2.gz CZUOUKQNXIDUOL-INIZCTEOSA-N -1 3 418.335 3.585 20 0 HHADHM Cc1nc(C)c(CCC(=O)N2CC[C@H](Cc3ccc(Br)cc3)C2)c(=O)[n-]1 ZINC000432552353 978881889 /nfs/dbraw/zinc/88/18/89/978881889.db2.gz CZUOUKQNXIDUOL-MRXNPFEDSA-N -1 3 418.335 3.585 20 0 HHADHM COC(=O)c1cnc(SCC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)[n-]1 ZINC000432655815 978926919 /nfs/dbraw/zinc/92/69/19/978926919.db2.gz JEYKDHWCTVBUGB-GOSISDBHSA-N -1 3 415.902 3.848 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(F)c2-c2nc[nH]n2)cc1C(C)C ZINC000432760273 978962737 /nfs/dbraw/zinc/96/27/37/978962737.db2.gz MTKOMAVTDBMZCL-UHFFFAOYSA-N -1 3 404.467 3.852 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)Nc3ccc(C)cc3Cl)c2)[n-]1 ZINC000432882671 979000445 /nfs/dbraw/zinc/00/04/45/979000445.db2.gz BWMZFVNIHNSSFA-UHFFFAOYSA-N -1 3 413.865 3.932 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)Nc3ccc(C)cc3Cl)c2)n[n-]1 ZINC000432882671 979000450 /nfs/dbraw/zinc/00/04/50/979000450.db2.gz BWMZFVNIHNSSFA-UHFFFAOYSA-N -1 3 413.865 3.932 20 0 HHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C3(Cc4ccc(F)cc4)CCOCC3)cc2)n1 ZINC000432894112 979003320 /nfs/dbraw/zinc/00/33/20/979003320.db2.gz VHSGACDEQCDTIC-UHFFFAOYSA-N -1 3 421.472 3.862 20 0 HHADHM CCN(CC)S(=O)(=O)c1cc(NC(=O)c2cc([O-])ccc2Cl)ccc1Cl ZINC000433105891 979075372 /nfs/dbraw/zinc/07/53/72/979075372.db2.gz RUGIWRFCXFFGDN-UHFFFAOYSA-N -1 3 417.314 3.982 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]Cc2cc(-c3ccccc3)no2)sc1Br ZINC000433653852 979455592 /nfs/dbraw/zinc/45/55/92/979455592.db2.gz NEMYVBXYLTXHQA-UHFFFAOYSA-N -1 3 413.318 3.953 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]Cc2nc(C(F)(F)F)cs2)sc1Br ZINC000433816474 979597584 /nfs/dbraw/zinc/59/75/84/979597584.db2.gz WLJPLCUMDIBUBG-UHFFFAOYSA-N -1 3 421.285 3.773 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]Cc2coc(-c3ccccc3)n2)sc1Br ZINC000433826308 979605510 /nfs/dbraw/zinc/60/55/10/979605510.db2.gz NJSOAFWRDYNVOK-UHFFFAOYSA-N -1 3 413.318 3.953 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)NC2(c3ccc(Cl)cc3)CCCCC2)c(C)o1 ZINC000433938184 979697435 /nfs/dbraw/zinc/69/74/35/979697435.db2.gz CMHLREKUEDBLRG-UHFFFAOYSA-N -1 3 410.923 3.739 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)NC[C@@H](CC)c3ccccc3)c2)[n-]1 ZINC000433975343 979727436 /nfs/dbraw/zinc/72/74/36/979727436.db2.gz FZTDARUHUQYABU-QGZVFWFLSA-N -1 3 421.501 3.641 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)NC[C@@H](CC)c3ccccc3)c2)n[n-]1 ZINC000433975343 979727439 /nfs/dbraw/zinc/72/74/39/979727439.db2.gz FZTDARUHUQYABU-QGZVFWFLSA-N -1 3 421.501 3.641 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)NCC(C)(C)c2c(Cl)cccc2Cl)c(C)o1 ZINC000434003376 979750360 /nfs/dbraw/zinc/75/03/60/979750360.db2.gz NVLQBPPTEITEMQ-UHFFFAOYSA-N -1 3 419.330 3.511 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CC[C@@H](c3ccccc3)[C@H]2C)cc1OC ZINC000434006852 979753600 /nfs/dbraw/zinc/75/36/00/979753600.db2.gz RLDUAEXWXUNCPF-CRAIPNDOSA-N -1 3 417.531 3.867 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](c2ccc(Cl)cc2)C2CCCC2)c(C)o1 ZINC000434008579 979755212 /nfs/dbraw/zinc/75/52/12/979755212.db2.gz ORICBZRCKREQTH-SFHVURJKSA-N -1 3 410.923 3.811 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)nc2)c(C)o1 ZINC000434074982 979817500 /nfs/dbraw/zinc/81/75/00/979817500.db2.gz LMIWUXKEQMOAPO-UHFFFAOYSA-N -1 3 421.862 3.589 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(CO[C@H]3CCC[C@@H](C)C3)c2)c(C)o1 ZINC000434094553 979842979 /nfs/dbraw/zinc/84/29/79/979842979.db2.gz XMTXEYMZYDHVII-KDOFPFPSSA-N -1 3 420.531 3.844 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(CO[C@H]3CCC[C@H](C)C3)c2)c(C)o1 ZINC000434094554 979843102 /nfs/dbraw/zinc/84/31/02/979843102.db2.gz XMTXEYMZYDHVII-KSSFIOAISA-N -1 3 420.531 3.844 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)N[C@H](C)CCC(C)(C)C)c2)[n-]1 ZINC000434133426 979890565 /nfs/dbraw/zinc/89/05/65/979890565.db2.gz QYQHVDWHSKAPDM-CQSZACIVSA-N -1 3 401.511 3.662 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)N[C@H](C)CCC(C)(C)C)c2)n[n-]1 ZINC000434133426 979890574 /nfs/dbraw/zinc/89/05/74/979890574.db2.gz QYQHVDWHSKAPDM-CQSZACIVSA-N -1 3 401.511 3.662 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2Oc2ccc(C)cc2)c(C)o1 ZINC000434227880 979998178 /nfs/dbraw/zinc/99/81/78/979998178.db2.gz LQGMBILTVYFCOG-UHFFFAOYSA-N -1 3 400.456 3.849 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](c2oc3ccccc3c2C)C(C)C)c(C)o1 ZINC000434264202 980027319 /nfs/dbraw/zinc/02/73/19/980027319.db2.gz APHBVEBWNJAATM-SFHVURJKSA-N -1 3 404.488 3.678 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(C)ccc2SCC(F)(F)F)c(C)o1 ZINC000434266488 980027966 /nfs/dbraw/zinc/02/79/66/980027966.db2.gz MONYPRNABCFRAU-UHFFFAOYSA-N -1 3 422.450 3.711 20 0 HHADHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCC(c3cnc[nH]3)CC2)cc1 ZINC000434297033 980057393 /nfs/dbraw/zinc/05/73/93/980057393.db2.gz OYWNJKYBMDPLCX-UHFFFAOYSA-N -1 3 424.526 3.539 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N(C)Cc1cc(Cl)ccc1F ZINC000434339997 980102783 /nfs/dbraw/zinc/10/27/83/980102783.db2.gz CUAPUVIXXGOLTO-UHFFFAOYSA-N -1 3 414.868 3.524 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)NCc3cccc(C(C)C)c3)c2)[n-]1 ZINC000434364474 980116211 /nfs/dbraw/zinc/11/62/11/980116211.db2.gz WNDSWKXCHDIAFI-UHFFFAOYSA-N -1 3 421.501 3.771 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)NCc3cccc(C(C)C)c3)c2)n[n-]1 ZINC000434364474 980116213 /nfs/dbraw/zinc/11/62/13/980116213.db2.gz WNDSWKXCHDIAFI-UHFFFAOYSA-N -1 3 421.501 3.771 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)Nc3cc(OC)c(C)cc3C)c2)[n-]1 ZINC000434892077 980474427 /nfs/dbraw/zinc/47/44/27/980474427.db2.gz NUZBXUDSCQPTLF-UHFFFAOYSA-N -1 3 423.473 3.596 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)Nc3cc(OC)c(C)cc3C)c2)n[n-]1 ZINC000434892077 980474433 /nfs/dbraw/zinc/47/44/33/980474433.db2.gz NUZBXUDSCQPTLF-UHFFFAOYSA-N -1 3 423.473 3.596 20 0 HHADHM CN(C)[C@H]1CCOc2c(NC(=O)C(=O)Nc3cc(Cl)c([O-])c(Cl)c3)cccc21 ZINC000434990079 980553664 /nfs/dbraw/zinc/55/36/64/980553664.db2.gz HAFUNTMBZXZKBM-HNNXBMFYSA-N -1 3 424.284 3.661 20 0 HHADHM CCOC(=O)CN(Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1)C1CCCC1 ZINC000435002256 980561831 /nfs/dbraw/zinc/56/18/31/980561831.db2.gz BGRVWIOIRQCBAB-UHFFFAOYSA-N -1 3 401.488 3.965 20 0 HHADHM CCCCCOc1ccc(S(=O)(=O)[N-]c2cccc([C@H]3CNC(=O)C3)c2)cc1 ZINC000435137054 980668035 /nfs/dbraw/zinc/66/80/35/980668035.db2.gz JGXUPKWXVPLKBZ-QGZVFWFLSA-N -1 3 402.516 3.660 20 0 HHADHM O=S(=O)([N-][C@@H]1CCOC2(CCCCC2)C1)c1cc(F)ccc1Br ZINC000435206893 980721928 /nfs/dbraw/zinc/72/19/28/980721928.db2.gz JGYBMCVDVFSCOA-CYBMUJFWSA-N -1 3 406.317 3.748 20 0 HHADHM O=S(=O)([N-][C@@H](c1ccccc1)[C@H]1CCCO1)c1cc(F)ccc1Br ZINC000435210022 980723688 /nfs/dbraw/zinc/72/36/88/980723688.db2.gz ZVBJDMZDBMIHDB-WBVHZDCISA-N -1 3 414.296 3.787 20 0 HHADHM O=S(=O)([N-]C1(c2nccs2)CCCC1)c1cc(F)ccc1Br ZINC000435215081 980726747 /nfs/dbraw/zinc/72/67/47/980726747.db2.gz URRVYMIBQRTWJC-UHFFFAOYSA-N -1 3 405.314 3.793 20 0 HHADHM O=S(=O)([N-][C@H]1CCCOc2ccccc21)c1cc(F)ccc1Br ZINC000435216572 980727948 /nfs/dbraw/zinc/72/79/48/980727948.db2.gz ZKKNPZHKQSWPFG-AWEZNQCLSA-N -1 3 400.269 3.780 20 0 HHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC000435407366 980844909 /nfs/dbraw/zinc/84/49/09/980844909.db2.gz KCTBOVLRBMPULS-UONOGXRCSA-N -1 3 414.405 3.699 20 0 HHADHM CCOc1ccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000435437662 980862567 /nfs/dbraw/zinc/86/25/67/980862567.db2.gz KYPVCOIDJPIYLS-QWHCGFSZSA-N -1 3 402.335 3.744 20 0 HHADHM Cc1ccc(NC(=O)N(C)C)cc1[N-]S(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000435476008 980889380 /nfs/dbraw/zinc/88/93/80/980889380.db2.gz AARWPOSOXNFVKZ-UHFFFAOYSA-N -1 3 413.446 3.533 20 0 HHADHM COC(=O)c1cnc(SCc2ccc(I)c(Cl)c2)[n-]1 ZINC000435486342 980897521 /nfs/dbraw/zinc/89/75/21/980897521.db2.gz GUYYTBFZYQZEEQ-UHFFFAOYSA-N -1 3 408.648 3.747 20 0 HHADHM O=S(=O)([N-][C@H]1C[C@H](c2cccc(F)c2)C1)c1cc(F)ccc1Br ZINC000435595808 980953976 /nfs/dbraw/zinc/95/39/76/980953976.db2.gz FSAWTYCNBUGZFA-YEORSEQZSA-N -1 3 402.260 3.952 20 0 HHADHM Cc1noc2ncc(S(=O)(=O)[N-]c3cc4c(cc3Br)CCC4)cc12 ZINC000435717825 980999668 /nfs/dbraw/zinc/99/96/68/980999668.db2.gz SBCWJNNFMDSXOL-UHFFFAOYSA-N -1 3 408.277 3.583 20 0 HHADHM Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)N1CCc2c(=O)[n-]cnc2C1 ZINC000435807657 981039290 /nfs/dbraw/zinc/03/92/90/981039290.db2.gz HSCKJLQGLUKQMM-UHFFFAOYSA-N -1 3 405.241 3.651 20 0 HHADHM O=S(=O)([N-]CC1(CO)CC(c2ccccc2)C1)c1cccc(Cl)c1Cl ZINC000435930636 981098645 /nfs/dbraw/zinc/09/86/45/981098645.db2.gz YIMYPMHIJVHXDO-UHFFFAOYSA-N -1 3 400.327 3.828 20 0 HHADHM O=C(NC[C@H]1CCC(F)(F)C1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000435957103 981112955 /nfs/dbraw/zinc/11/29/55/981112955.db2.gz KFRKEIZCQSWIQG-ZDUSSCGKSA-N -1 3 412.433 3.792 20 0 HHADHM Cc1nc(C)c(CC(=O)N2CCc3ccccc3[C@H](c3ccccc3)[C@@H]2C)c(=O)[n-]1 ZINC000435969866 981122164 /nfs/dbraw/zinc/12/21/64/981122164.db2.gz ZVBUEGZEZQBFIA-XDHUDOTRSA-N -1 3 401.510 3.947 20 0 HHADHM COc1cc(C(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)cc(OC)c1[O-] ZINC000436006883 981149241 /nfs/dbraw/zinc/14/92/41/981149241.db2.gz OELYVMBAFMJYMM-AULYBMBSSA-N -1 3 424.266 3.987 20 0 HHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@@H]3C[C@H]3c3ccccc3)cs2)c1 ZINC000436043357 981176466 /nfs/dbraw/zinc/17/64/66/981176466.db2.gz JEYLMHKHJYLQDO-FUHWJXTLSA-N -1 3 407.495 3.624 20 0 HHADHM CSc1cc2c(cc1[N-]C(=O)c1cn(-c3cccc(Cl)c3)nn1)OCCO2 ZINC000436367010 981328747 /nfs/dbraw/zinc/32/87/47/981328747.db2.gz QQBFIZHMMBVUFE-UHFFFAOYSA-N -1 3 402.863 3.666 20 0 HHADHM O=c1[nH]cc(S(=O)(=O)[N-]c2ccc3[nH]c(-c4ccccc4Cl)nc3c2)s1 ZINC000436476873 981393726 /nfs/dbraw/zinc/39/37/26/981393726.db2.gz KFFYXPQGQMRIQC-UHFFFAOYSA-N -1 3 406.876 3.846 20 0 HHADHM C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])c1nc(-c2ccccc2)cs1 ZINC000436487688 981397368 /nfs/dbraw/zinc/39/73/68/981397368.db2.gz TZGUEJVHRYNNNM-BEFAXECRSA-N -1 3 421.522 3.998 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NC[C@@H](CO)CC1CCCC1 ZINC000436510052 981409010 /nfs/dbraw/zinc/40/90/10/981409010.db2.gz IKARQPCDVTXNSX-WMZHIEFXSA-N -1 3 424.541 3.558 20 0 HHADHM CCOC[C@@H]1CCCN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000436520797 981415256 /nfs/dbraw/zinc/41/52/56/981415256.db2.gz AIEXRZAPQFMJQP-XMSQKQJNSA-N -1 3 410.514 3.529 20 0 HHADHM C[C@H](Cc1cccc(Cl)c1)C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436522161 981415271 /nfs/dbraw/zinc/41/52/71/981415271.db2.gz KCNQCWXIHQRVKH-OAHLLOKOSA-N -1 3 400.906 3.645 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCC1Cc2ccccc2C1 ZINC000436522571 981415828 /nfs/dbraw/zinc/41/58/28/981415828.db2.gz MOCWEQXLBCAMGU-DEOSSOPVSA-N -1 3 414.505 3.785 20 0 HHADHM CC[C@@H](NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1ccncc1 ZINC000436523359 981416051 /nfs/dbraw/zinc/41/60/51/981416051.db2.gz APNFWOMZMMUFJC-FGZHOGPDSA-N -1 3 403.482 3.916 20 0 HHADHM C[C@H](CNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Oc1ccccc1 ZINC000436524220 981417511 /nfs/dbraw/zinc/41/75/11/981417511.db2.gz ZNIVOJFMQDMESP-JPYJTQIMSA-N -1 3 418.493 3.837 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCOC2(CCCCC2)C1 ZINC000436528777 981421004 /nfs/dbraw/zinc/42/10/04/981421004.db2.gz PKYQHYPHUNUGQN-JOCHJYFZSA-N -1 3 422.525 3.815 20 0 HHADHM COC[C@@H](NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1ccc(C)o1 ZINC000436530968 981422656 /nfs/dbraw/zinc/42/26/56/981422656.db2.gz VBEXEHXDDZNTMR-LEWJYISDSA-N -1 3 422.481 3.659 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCCOCc1ccccc1 ZINC000436531002 981422699 /nfs/dbraw/zinc/42/26/99/981422699.db2.gz VCKXVODIPIQDFN-HSZRJFAPSA-N -1 3 418.493 3.586 20 0 HHADHM O=C(Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436533494 981425128 /nfs/dbraw/zinc/42/51/28/981425128.db2.gz JMGXFNXAYWBEKJ-INIZCTEOSA-N -1 3 416.433 3.642 20 0 HHADHM CC(C)(C)[C@@H]1C[C@@H](NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCO1 ZINC000436536745 981427558 /nfs/dbraw/zinc/42/75/58/981427558.db2.gz QAYWZZAQEHVDSD-NNWRFLSQSA-N -1 3 424.541 3.963 20 0 HHADHM NC(=O)c1ccn(-c2ccc(NC(=O)c3cc(Oc4ccccc4)ccc3[O-])cc2)n1 ZINC000436541883 981430995 /nfs/dbraw/zinc/43/09/95/981430995.db2.gz ABIFJQWMBLEBAU-UHFFFAOYSA-N -1 3 414.421 3.721 20 0 HHADHM O=C(NCCNC(=O)c1ccc(-c2cccc3cccnc32)cc1)c1ccc([O-])cc1 ZINC000436543803 981432739 /nfs/dbraw/zinc/43/27/39/981432739.db2.gz JOHVPZPJNAPOHG-UHFFFAOYSA-N -1 3 411.461 3.767 20 0 HHADHM CC[C@@H](c1nnc(N2CCN(C(=O)c3ccccc3[O-])CC2)n1CC)c1ccccc1 ZINC000436550486 981436447 /nfs/dbraw/zinc/43/64/47/981436447.db2.gz ZFJKYLXWAFZVAB-LJQANCHMSA-N -1 3 419.529 3.508 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC000436554625 981440227 /nfs/dbraw/zinc/44/02/27/981440227.db2.gz GMLAPLFRZIYFKU-ZCAIMPEWSA-N -1 3 412.489 3.708 20 0 HHADHM CC(C)[C@@H]1OCCC[C@H]1CNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436555166 981440266 /nfs/dbraw/zinc/44/02/66/981440266.db2.gz JULQOBJMTHTKLJ-FJIJXJHWSA-N -1 3 424.541 3.821 20 0 HHADHM Cc1nc(CCNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)sc1C ZINC000436555989 981441100 /nfs/dbraw/zinc/44/11/00/981441100.db2.gz JYFLUFGLUAZTLT-FQEVSTJZSA-N -1 3 423.538 3.686 20 0 HHADHM COCC1(C)CCN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC1 ZINC000436557692 981442435 /nfs/dbraw/zinc/44/24/35/981442435.db2.gz OESYLCHDHHCIAK-OAQYLSRUSA-N -1 3 410.514 3.529 20 0 HHADHM O=C(Nc1ccc(OCc2cn3ccccc3n2)cc1)c1cc2c(cc1[O-])OCO2 ZINC000436558051 981443201 /nfs/dbraw/zinc/44/32/01/981443201.db2.gz SZOIJHVRPGOJCQ-UHFFFAOYSA-N -1 3 403.394 3.600 20 0 HHADHM CC(C)CO[C@H]1CCN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000436558163 981443238 /nfs/dbraw/zinc/44/32/38/981443238.db2.gz UJKCLWAOBYTCTC-FCHUYYIVSA-N -1 3 410.514 3.527 20 0 HHADHM C[C@H](CCO)C1(CNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCC1 ZINC000436559590 981444070 /nfs/dbraw/zinc/44/40/70/981444070.db2.gz AAYXQKIFYKXJRZ-GCJKJVERSA-N -1 3 424.541 3.558 20 0 HHADHM C[C@H]1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2cc(F)ccc2[O-])c1 ZINC000436565477 981447850 /nfs/dbraw/zinc/44/78/50/981447850.db2.gz RFSCKIVHWSUMRN-ZDUSSCGKSA-N -1 3 403.429 3.736 20 0 HHADHM CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1cc(CCc3ccccc3)ccc1[O-])CC2 ZINC000436564904 981447958 /nfs/dbraw/zinc/44/79/58/981447958.db2.gz PZEMSYQXXYCLCG-PKTZIBPZSA-N -1 3 409.526 3.570 20 0 HHADHM O=C(Nc1ccc(N2CCNC2=O)cc1)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436579112 981457263 /nfs/dbraw/zinc/45/72/63/981457263.db2.gz WYWDISNIJMYJMV-UHFFFAOYSA-N -1 3 401.466 3.959 20 0 HHADHM CS(=O)(=O)Cc1ccccc1CNC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436579861 981458106 /nfs/dbraw/zinc/45/81/06/981458106.db2.gz ZSOBTWQHDAJTTC-UHFFFAOYSA-N -1 3 423.534 3.652 20 0 HHADHM COc1cc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])ccc1NC(N)=O ZINC000436579858 981458178 /nfs/dbraw/zinc/45/81/78/981458178.db2.gz BEQFMDKFHKWISN-UHFFFAOYSA-N -1 3 407.426 3.723 20 0 HHADHM CN(Cc1ccccc1)c1ccccc1NC(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000436596168 981465689 /nfs/dbraw/zinc/46/56/89/981465689.db2.gz OWDWAEVYDWAYGM-UHFFFAOYSA-N -1 3 418.497 3.580 20 0 HHADHM CCCCNC(=O)C1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000436597866 981466898 /nfs/dbraw/zinc/46/68/98/981466898.db2.gz RNKKAFSYWUOSQZ-UHFFFAOYSA-N -1 3 408.542 3.946 20 0 HHADHM COc1ccc(CN(CCO)C(=O)c2cc(Cc3ccccc3)ccc2[O-])c(OC)c1 ZINC000436600031 981467417 /nfs/dbraw/zinc/46/74/17/981467417.db2.gz GNWCGMVQPSCGOD-UHFFFAOYSA-N -1 3 421.493 3.635 20 0 HHADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1ccc2n[nH]c(=O)n2c1 ZINC000436603258 981469072 /nfs/dbraw/zinc/46/90/72/981469072.db2.gz LTOLHHHXPVSHTL-UHFFFAOYSA-N -1 3 403.423 3.670 20 0 HHADHM CCc1ccc(C(=O)N(C)Cc2cn(-c3cccc(Br)c3)nn2)c([O-])c1 ZINC000436603878 981469736 /nfs/dbraw/zinc/46/97/36/981469736.db2.gz NBYDGGNJXUTCLE-UHFFFAOYSA-N -1 3 415.291 3.570 20 0 HHADHM O=C(c1cc2c(cc1[O-])OCO2)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000436607026 981470925 /nfs/dbraw/zinc/47/09/25/981470925.db2.gz RXWFNPWIJAUUID-VIFPVBQESA-N -1 3 400.378 3.616 20 0 HHADHM C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436609419 981472133 /nfs/dbraw/zinc/47/21/33/981472133.db2.gz LDRXTEJFVGQIPA-RDTXWAMCSA-N -1 3 420.431 3.763 20 0 HHADHM O=C(N[C@@H]1CCN(Cc2ccccc2)C1=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436613644 981474806 /nfs/dbraw/zinc/47/48/06/981474806.db2.gz RIIFGKYEZAZDKZ-JOCHJYFZSA-N -1 3 400.478 3.514 20 0 HHADHM Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1Br ZINC000436615941 981476034 /nfs/dbraw/zinc/47/60/34/981476034.db2.gz HVHSKXFCJASIQU-INIZCTEOSA-N -1 3 403.276 3.706 20 0 HHADHM O=C(Nc1cc(Br)ccc1F)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436622788 981479731 /nfs/dbraw/zinc/47/97/31/981479731.db2.gz XXFHPNSUEKMRGZ-OAHLLOKOSA-N -1 3 407.239 3.537 20 0 HHADHM CCc1noc(-c2ccc(C)c(NC(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])c2)n1 ZINC000436627835 981481979 /nfs/dbraw/zinc/48/19/79/981481979.db2.gz VIUKZIQBHDIQNK-SFHVURJKSA-N -1 3 420.469 3.556 20 0 HHADHM CN(Cc1cccc(OC(F)(F)F)c1)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436630353 981483108 /nfs/dbraw/zinc/48/31/08/981483108.db2.gz MWLYWEGNHGFAGF-KRWDZBQOSA-N -1 3 422.403 3.554 20 0 HHADHM CC(C)(C)[C@@H]1CCN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C[C@H]1O ZINC000436630763 981483705 /nfs/dbraw/zinc/48/37/05/981483705.db2.gz PGXOHCQRXPQIQH-YPAWHYETSA-N -1 3 424.541 3.509 20 0 HHADHM CC[C@H](NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1)c1nccs1 ZINC000436634109 981485072 /nfs/dbraw/zinc/48/50/72/981485072.db2.gz JOEHZIJNSMDIHB-AWEZNQCLSA-N -1 3 416.528 3.676 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)Nc2cccc(C[S@@](=O)C(C)(C)C)c2)c([O-])c1 ZINC000436636208 981486426 /nfs/dbraw/zinc/48/64/26/981486426.db2.gz XZZKURYMSDBJDR-GDLZYMKVSA-N -1 3 416.543 3.506 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)N[C@H](C)c2ccc(-c3cccnc3)cc2)c([O-])c1 ZINC000436637916 981487647 /nfs/dbraw/zinc/48/76/47/981487647.db2.gz BENBIPVXFXLJPH-QGZVFWFLSA-N -1 3 403.482 3.760 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)N[C@@H](C)c2ccc(-c3ccncc3)cc2)c([O-])c1 ZINC000436639427 981488409 /nfs/dbraw/zinc/48/84/09/981488409.db2.gz KLEXMWWSFAWTEH-KRWDZBQOSA-N -1 3 403.482 3.760 20 0 HHADHM COc1ccc2cccc(CC(=O)NC3CCN(C(=O)c4ccccc4[O-])CC3)c2c1 ZINC000436640838 981488849 /nfs/dbraw/zinc/48/88/49/981488849.db2.gz KMTJTHOZSOKVRA-UHFFFAOYSA-N -1 3 418.493 3.518 20 0 HHADHM O=C(COc1ccc(-c2ccccc2)cc1Cl)NCCNC(=O)c1ccc([O-])cc1 ZINC000436643289 981489752 /nfs/dbraw/zinc/48/97/52/981489752.db2.gz NSTRPPZIGVVULX-UHFFFAOYSA-N -1 3 424.884 3.638 20 0 HHADHM Cc1ccc(NC(=O)c2cc(I)ccc2[O-])c(CN(C)C)c1 ZINC000436663237 981499195 /nfs/dbraw/zinc/49/91/95/981499195.db2.gz GDIUAEDBJWBITL-UHFFFAOYSA-N -1 3 410.255 3.619 20 0 HHADHM CCS[C@H]1CC[C@H](N(C)C(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])C1 ZINC000436669509 981501988 /nfs/dbraw/zinc/50/19/88/981501988.db2.gz MLVOZXNWXRUFRQ-GJZGRUSLSA-N -1 3 403.504 3.687 20 0 HHADHM COc1ccc([C@@H](NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])C2CC2)cc1 ZINC000436671072 981503298 /nfs/dbraw/zinc/50/32/98/981503298.db2.gz IZIDFONKDZUKHF-NRFANRHFSA-N -1 3 421.453 3.831 20 0 HHADHM O=C(c1c([O-])cccc1O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000436672109 981504012 /nfs/dbraw/zinc/50/40/12/981504012.db2.gz CECDEDHLAIGTKZ-UHFFFAOYSA-N -1 3 424.447 3.923 20 0 HHADHM CNC(=O)CCOc1ccc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])cc1 ZINC000436674722 981505122 /nfs/dbraw/zinc/50/51/22/981505122.db2.gz WTDZGKRNPCKECX-UHFFFAOYSA-N -1 3 404.466 3.750 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)N2CCC(c3c(F)cccc3F)CC2)c([O-])c1 ZINC000436677115 981506825 /nfs/dbraw/zinc/50/68/25/981506825.db2.gz BAZNNWVWOOGQQE-UHFFFAOYSA-N -1 3 402.441 3.505 20 0 HHADHM CCS[C@@H]1CCCC[C@@H]1NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000436678572 981507446 /nfs/dbraw/zinc/50/74/46/981507446.db2.gz CQMCLRYAWFSEAQ-FUHWJXTLSA-N -1 3 403.504 3.735 20 0 HHADHM O=C(NCCNC(=O)c1ccc(N2CCCc3ccccc32)cc1)c1ccc([O-])cc1 ZINC000436680993 981508911 /nfs/dbraw/zinc/50/89/11/981508911.db2.gz LSIXSTOURSMLGQ-UHFFFAOYSA-N -1 3 415.493 3.636 20 0 HHADHM Cc1ccc(C(=O)NCCc2nc(-c3ccc(F)cc3C(F)(F)F)no2)c([O-])c1 ZINC000436681212 981509054 /nfs/dbraw/zinc/50/90/54/981509054.db2.gz MDTSQCQUUSAZOI-UHFFFAOYSA-N -1 3 409.339 3.881 20 0 HHADHM Cc1ccc([C@@H]2OCCC[C@H]2C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436682499 981510495 /nfs/dbraw/zinc/51/04/95/981510495.db2.gz QJADZGZLHIMMFI-GGAORHGYSA-N -1 3 422.525 3.589 20 0 HHADHM CC(C)(C)NC(=O)N1CCC(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000436685060 981511648 /nfs/dbraw/zinc/51/16/48/981511648.db2.gz ANGRRWFBKLSNIY-UHFFFAOYSA-N -1 3 409.530 3.685 20 0 HHADHM COc1ccc2c(c1)CCC[C@H]2c1noc(CCNC(=O)c2ccc(C)cc2[O-])n1 ZINC000436690279 981514502 /nfs/dbraw/zinc/51/45/02/981514502.db2.gz PUHPKZVMNROADE-GOSISDBHSA-N -1 3 407.470 3.533 20 0 HHADHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1cccc(CSc2ccccn2)c1 ZINC000436694593 981517274 /nfs/dbraw/zinc/51/72/74/981517274.db2.gz BBFGEZVGMGXPLK-UHFFFAOYSA-N -1 3 422.510 3.631 20 0 HHADHM CC(C)c1nn(-c2ccccc2)cc1CN1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436693983 981517399 /nfs/dbraw/zinc/51/73/99/981517399.db2.gz FUQYMPDLBJJABV-UHFFFAOYSA-N -1 3 404.514 3.659 20 0 HHADHM O=C(NCCCCc1ccc(Cl)s1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436698535 981519355 /nfs/dbraw/zinc/51/93/55/981519355.db2.gz PZLHKXKGQZOPFB-MRXNPFEDSA-N -1 3 406.935 3.851 20 0 HHADHM C[C@H](NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccc(F)c2ccccc21 ZINC000436703567 981521540 /nfs/dbraw/zinc/52/15/40/981521540.db2.gz MAPXLWOOBAYYFS-INIZCTEOSA-N -1 3 421.472 3.913 20 0 HHADHM CC(C)Cn1ccc2cc(NC(=O)N3CCN(C(=O)c4ccccc4[O-])CC3)ccc21 ZINC000436706675 981522817 /nfs/dbraw/zinc/52/28/17/981522817.db2.gz VUVXDWOKYLLZJW-UHFFFAOYSA-N -1 3 420.513 3.993 20 0 HHADHM [O-]c1ccccc1-c1nc(CSc2nnc3ccc(Br)cn32)no1 ZINC000436707418 981522826 /nfs/dbraw/zinc/52/28/26/981522826.db2.gz RKRXRDVMCUDSFL-UHFFFAOYSA-N -1 3 404.249 3.540 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)N2CCC(c3nc4ccccc4s3)CC2)c([O-])c1 ZINC000436708631 981523504 /nfs/dbraw/zinc/52/35/04/981523504.db2.gz SLBZZBBCXNFFLK-UHFFFAOYSA-N -1 3 423.538 3.836 20 0 HHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2C[C@@H](c3cccc(C(F)(F)F)c3)O[C@@H](C)C2)c1 ZINC000436710366 981524118 /nfs/dbraw/zinc/52/41/18/981524118.db2.gz SPASASVKANSPOV-BUXKBTBVSA-N -1 3 422.403 3.972 20 0 HHADHM Cc1c(NC(=O)c2cc3c(cc2[O-])CCCC3)nnn1CCOc1ccc(F)cc1 ZINC000436712775 981525536 /nfs/dbraw/zinc/52/55/36/981525536.db2.gz HHIFWGKOMZHERJ-UHFFFAOYSA-N -1 3 410.449 3.641 20 0 HHADHM O=C(N[C@H]1CCC[C@@H](c2ccccc2)C1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436711871 981525629 /nfs/dbraw/zinc/52/56/29/981525629.db2.gz CEAGHXHBMZHHDU-RTWAWAEBSA-N -1 3 407.514 3.586 20 0 HHADHM Cc1ccc(-c2nnc(NC(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])s2)c(C)c1 ZINC000436714195 981526825 /nfs/dbraw/zinc/52/68/25/981526825.db2.gz LJYVWDLMXRSHSB-QGZVFWFLSA-N -1 3 422.510 3.771 20 0 HHADHM C[C@@H]1C[C@@H](CCNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C[C@H](C)O1 ZINC000436714673 981526915 /nfs/dbraw/zinc/52/69/15/981526915.db2.gz MVWLCDUTHJEODK-YWNPBTLJSA-N -1 3 424.541 3.963 20 0 HHADHM O=C(N[C@H]1CCCC[C@H]1c1ccccc1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436716550 981528007 /nfs/dbraw/zinc/52/80/07/981528007.db2.gz QPXWIQMVGCPXGS-FPOVZHCZSA-N -1 3 407.514 3.586 20 0 HHADHM O=C(NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436716895 981528201 /nfs/dbraw/zinc/52/82/01/981528201.db2.gz AQDBLVCGAJGCIQ-NQIIRXRSSA-N -1 3 419.481 3.894 20 0 HHADHM O=C(c1cc(OCc2ccccc2)ccc1[O-])N1CCN2CCOc3cccc1c32 ZINC000436726841 981534034 /nfs/dbraw/zinc/53/40/34/981534034.db2.gz ZOJDEWROWAMANH-UHFFFAOYSA-N -1 3 402.450 3.830 20 0 HHADHM CN(CCCN(C)C(=O)c1cc(Cl)cc(Br)c1[O-])Cc1ccco1 ZINC000436730140 981535420 /nfs/dbraw/zinc/53/54/20/981535420.db2.gz JOEXPYXCRDGOSH-UHFFFAOYSA-N -1 3 415.715 3.995 20 0 HHADHM O=C(N[C@@H]1CCCC[C@H]1Cc1ccccc1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436730691 981536282 /nfs/dbraw/zinc/53/62/82/981536282.db2.gz MGRSJVRLWMJOKL-RBBKRZOGSA-N -1 3 421.541 3.661 20 0 HHADHM CCN(CC)CC(=O)Nc1cccc(NC(=O)c2ccc(Br)cc2[O-])c1 ZINC000436734447 981537652 /nfs/dbraw/zinc/53/76/52/981537652.db2.gz APOBHPXNLKYJTA-UHFFFAOYSA-N -1 3 420.307 3.687 20 0 HHADHM CC(C)c1c(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cnn1-c1ccccc1 ZINC000436746572 981542691 /nfs/dbraw/zinc/54/26/91/981542691.db2.gz YVYOUNLQDPCNCA-FQEVSTJZSA-N -1 3 418.497 3.945 20 0 HHADHM CC(C)c1c(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cnn1-c1ccccc1 ZINC000436746573 981542777 /nfs/dbraw/zinc/54/27/77/981542777.db2.gz YVYOUNLQDPCNCA-HXUWFJFHSA-N -1 3 418.497 3.945 20 0 HHADHM O=C(NC1CCN(C(=O)c2ccco2)CC1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436756723 981547563 /nfs/dbraw/zinc/54/75/63/981547563.db2.gz DPEZUTVFRBBADO-UHFFFAOYSA-N -1 3 406.438 3.812 20 0 HHADHM C[C@@H]1Oc2ccc(NC(=O)c3cc(OCc4ccccc4)ccc3[O-])cc2NC1=O ZINC000436756890 981548121 /nfs/dbraw/zinc/54/81/21/981548121.db2.gz RKUPYIGJAKOZTB-AWEZNQCLSA-N -1 3 404.422 3.943 20 0 HHADHM COc1cc(CN(C(=O)c2cc3c(cc2[O-])OCO3)C2CC2)ccc1OC(F)F ZINC000436758724 981549148 /nfs/dbraw/zinc/54/91/48/981549148.db2.gz NYWMRCXUGVQXDK-UHFFFAOYSA-N -1 3 407.369 3.536 20 0 HHADHM CCc1nc2ccccc2n1C1CCN(C(=O)c2cc(OC)c([O-])c(OC)c2)CC1 ZINC000436763462 981551453 /nfs/dbraw/zinc/55/14/53/981551453.db2.gz GRHIAPGMFURSNI-UHFFFAOYSA-N -1 3 409.486 3.799 20 0 HHADHM C[C@H](CC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)Cc1ccc(Cl)cc1 ZINC000436764597 981551999 /nfs/dbraw/zinc/55/19/99/981551999.db2.gz MJZCDMWPWHZUAC-INIZCTEOSA-N -1 3 400.906 3.599 20 0 HHADHM CC(C)c1ccc(O[C@H](C)CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000436769574 981553910 /nfs/dbraw/zinc/55/39/10/981553910.db2.gz KEBPVXKYOUNHBI-UTKZUKDTSA-N -1 3 410.514 3.704 20 0 HHADHM Cn1ccnc1Sc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000436780871 981558795 /nfs/dbraw/zinc/55/87/95/981558795.db2.gz QUZCGUDYZLYCBK-GOSISDBHSA-N -1 3 422.510 3.520 20 0 HHADHM O=C(NCCNC(=O)c1c(F)cccc1Sc1ccccc1)c1ccc([O-])cc1 ZINC000436785561 981559807 /nfs/dbraw/zinc/55/98/07/981559807.db2.gz VITTYXMBVDVIBG-UHFFFAOYSA-N -1 3 410.470 3.842 20 0 HHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)Cc2ccc(F)c(Br)c2)c1 ZINC000436786640 981560681 /nfs/dbraw/zinc/56/06/81/981560681.db2.gz FAOIBWQUGOZIBJ-SNVBAGLBSA-N -1 3 409.255 3.613 20 0 HHADHM Cc1nc(CN2CCN(C(=O)c3ccccc3[O-])CC2)oc1-c1ccc(Cl)cc1 ZINC000436789288 981561907 /nfs/dbraw/zinc/56/19/07/981561907.db2.gz BFWNOERVQXSVHQ-UHFFFAOYSA-N -1 3 411.889 3.967 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCOC[C@H](C2CCC2)C1 ZINC000436789124 981561963 /nfs/dbraw/zinc/56/19/63/981561963.db2.gz CLKLVLDOTYXOID-GGAORHGYSA-N -1 3 422.525 3.529 20 0 HHADHM COc1cc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])ccc1C(F)(F)F ZINC000436792101 981563395 /nfs/dbraw/zinc/56/33/95/981563395.db2.gz MCXMFYZGGNLURB-OAHLLOKOSA-N -1 3 408.376 3.663 20 0 HHADHM Cc1cc(F)ccc1C1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000436796320 981566224 /nfs/dbraw/zinc/56/62/24/981566224.db2.gz WFOJHMZBKUIAIC-OAQYLSRUSA-N -1 3 410.489 3.851 20 0 HHADHM CC(C)n1nc(C(=O)Nc2cc(Br)ccc2[O-])c2ccccc2c1=O ZINC000436800105 981567652 /nfs/dbraw/zinc/56/76/52/981567652.db2.gz HRVOQAFGSMKHBW-UHFFFAOYSA-N -1 3 402.248 3.698 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@@H]1COc2ccc(F)cc21 ZINC000436806625 981570359 /nfs/dbraw/zinc/57/03/59/981570359.db2.gz IHPLHPGLAPUCAC-LEWJYISDSA-N -1 3 420.440 3.642 20 0 HHADHM O=C(Nc1ccc(Oc2ccccc2)cn1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436807468 981570673 /nfs/dbraw/zinc/57/06/73/981570673.db2.gz LDKHEZPJFWNIBR-IBGZPJMESA-N -1 3 403.438 3.823 20 0 HHADHM O=C(Nc1ccc(Oc2ccccc2)cn1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436807470 981570829 /nfs/dbraw/zinc/57/08/29/981570829.db2.gz LDKHEZPJFWNIBR-LJQANCHMSA-N -1 3 403.438 3.823 20 0 HHADHM CCN1CC[C@H](NC(=O)c2cc(NC(C)=O)ccc2[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000436813572 981572893 /nfs/dbraw/zinc/57/28/93/981572893.db2.gz FALVZVHDJPEFKE-AZUAARDMSA-N -1 3 419.884 3.708 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCCCOc2cccc(C)c2C)c1 ZINC000436817297 981574478 /nfs/dbraw/zinc/57/44/78/981574478.db2.gz WVLFQPBGMSNBEW-UHFFFAOYSA-N -1 3 423.469 3.757 20 0 HHADHM CCc1ccc(C(=O)N2CCN([C@H](C)c3nc(-c4cccs4)no3)CC2)c([O-])c1 ZINC000436818975 981575351 /nfs/dbraw/zinc/57/53/51/981575351.db2.gz HBFLXDWWTGZRSJ-CQSZACIVSA-N -1 3 412.515 3.585 20 0 HHADHM COc1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])cc1NC(N)=O ZINC000436818409 981575390 /nfs/dbraw/zinc/57/53/90/981575390.db2.gz ATILVUZYYSLBFI-UHFFFAOYSA-N -1 3 407.426 3.723 20 0 HHADHM CCc1ccc(C(=O)N(C2CC2)[C@@H]2CCN(C(=O)c3ccc(CC)cc3O)C2)c([O-])c1 ZINC000436835114 981582250 /nfs/dbraw/zinc/58/22/50/981582250.db2.gz UIDCSGFMQCYLRP-LJQANCHMSA-N -1 3 422.525 3.742 20 0 HHADHM CCc1ccc(C(=O)N2CC[C@@H](N(C(=O)c3ccc(CC)cc3O)C3CC3)C2)c([O-])c1 ZINC000436835114 981582255 /nfs/dbraw/zinc/58/22/55/981582255.db2.gz UIDCSGFMQCYLRP-LJQANCHMSA-N -1 3 422.525 3.742 20 0 HHADHM COc1cc(C(=O)N[C@H](C)[C@H](OC)c2ccc(Br)cc2)cc(OC)c1[O-] ZINC000436836715 981582932 /nfs/dbraw/zinc/58/29/32/981582932.db2.gz ICACPZNUYOBFSL-ZMZPIMSZSA-N -1 3 424.291 3.678 20 0 HHADHM COc1cc(C(=O)N[C@H](C)[C@@H](OC)c2ccc(Br)cc2)cc(OC)c1[O-] ZINC000436836710 981583030 /nfs/dbraw/zinc/58/30/30/981583030.db2.gz ICACPZNUYOBFSL-ADLMAVQZSA-N -1 3 424.291 3.678 20 0 HHADHM COc1ccc2oc([C@H](C)NC(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])c(C)c2c1 ZINC000436836803 981583723 /nfs/dbraw/zinc/58/37/23/981583723.db2.gz NDEQOGAIUYROQJ-HNAYVOBHSA-N -1 3 422.481 3.937 20 0 HHADHM CCc1ccc(C(=O)N2CCC[C@@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)c([O-])c1 ZINC000436838522 981584284 /nfs/dbraw/zinc/58/42/84/981584284.db2.gz JGJMZHXLTNCUPU-GOSISDBHSA-N -1 3 418.497 3.950 20 0 HHADHM O=C(CCSc1ccc(Cl)cc1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436841007 981585111 /nfs/dbraw/zinc/58/51/11/981585111.db2.gz QYAXJZZUNYSBHO-UHFFFAOYSA-N -1 3 404.919 3.512 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)N[C@H](c2cccc(F)c2F)C(F)(F)F)c([O-])c1 ZINC000436846757 981587761 /nfs/dbraw/zinc/58/77/61/981587761.db2.gz NQFCIJMSLXCJDT-QGZVFWFLSA-N -1 3 416.346 3.519 20 0 HHADHM CCCc1c(NC(=O)CCNC(=O)c2ccc(C)cc2[O-])cnn1-c1cccc(F)c1 ZINC000436851112 981590790 /nfs/dbraw/zinc/59/07/90/981590790.db2.gz CHSJERKUAILOMN-UHFFFAOYSA-N -1 3 424.476 3.737 20 0 HHADHM C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1C(=O)c1cc2c(cc1[O-])OCO2 ZINC000436855067 981593498 /nfs/dbraw/zinc/59/34/98/981593498.db2.gz ONIINRQQAZWWQE-ZMZPIMSZSA-N -1 3 409.360 3.742 20 0 HHADHM O=C(c1ccccc1[O-])N1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc3ccccc32)CC1 ZINC000436860095 981595622 /nfs/dbraw/zinc/59/56/22/981595622.db2.gz DMFMUCBQIXWDDS-FGZHOGPDSA-N -1 3 400.478 3.634 20 0 HHADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc3ccccc32)CC1 ZINC000436861154 981595662 /nfs/dbraw/zinc/59/56/62/981595662.db2.gz ATAPVYWZQLSMDW-DHIUTWEWSA-N -1 3 400.478 3.634 20 0 HHADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)c2cc(C3CC3)nc3ccc(F)cc32)CC1 ZINC000436869597 981597559 /nfs/dbraw/zinc/59/75/59/981597559.db2.gz MTGPJXVVCGFYKL-UHFFFAOYSA-N -1 3 419.456 3.555 20 0 HHADHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1ccc(C(F)(F)F)cc1Cl ZINC000436870808 981597895 /nfs/dbraw/zinc/59/78/95/981597895.db2.gz GALYTLSMSSNTHK-UHFFFAOYSA-N -1 3 401.772 3.616 20 0 HHADHM O=C(Cc1noc(-c2cc(OCc3ccccc3)ccc2[O-])n1)NCc1ccccc1 ZINC000436887764 981601809 /nfs/dbraw/zinc/60/18/09/981601809.db2.gz PMGRRMVBVRUNQO-UHFFFAOYSA-N -1 3 415.449 3.880 20 0 HHADHM O=C(c1ccccc1[O-])N1CCN(C(=O)c2ccccc2OC2CCCCC2)CC1 ZINC000436889768 981602568 /nfs/dbraw/zinc/60/25/68/981602568.db2.gz ZMARGXYIIGCOMI-UHFFFAOYSA-N -1 3 408.498 3.702 20 0 HHADHM O=C(N[C@H](CC1CCC1)c1ccccc1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436894721 981604637 /nfs/dbraw/zinc/60/46/37/981604637.db2.gz RTJLNICCLOWROE-JOCHJYFZSA-N -1 3 407.514 3.791 20 0 HHADHM CN1CCC[C@@H](CNC(=O)C(=O)c2ccc([O-])cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000436898530 981605972 /nfs/dbraw/zinc/60/59/72/981605972.db2.gz YNBCTQXETIWYSS-LPHOPBHVSA-N -1 3 420.431 3.793 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCCOc1ccccc1F ZINC000436900285 981606446 /nfs/dbraw/zinc/60/64/46/981606446.db2.gz BKVDDAUYEOZLQW-OAQYLSRUSA-N -1 3 422.456 3.588 20 0 HHADHM Cc1coc(-c2cc(NC(=O)N3CCN(C(=O)c4ccccc4[O-])CC3)ccc2C)n1 ZINC000436904103 981610177 /nfs/dbraw/zinc/61/01/77/981610177.db2.gz KFLQCUMFHCXAON-UHFFFAOYSA-N -1 3 420.469 3.654 20 0 HHADHM Cc1ncc(CN(C)C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)s1 ZINC000436910097 981615268 /nfs/dbraw/zinc/61/52/68/981615268.db2.gz NEQUHFOVVLQLFG-FQEVSTJZSA-N -1 3 409.511 3.677 20 0 HHADHM CO[C@@H](CNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1ccccc1 ZINC000436912786 981618349 /nfs/dbraw/zinc/61/83/49/981618349.db2.gz IGZSDXQDPWEVEZ-GOTSBHOMSA-N -1 3 418.493 3.757 20 0 HHADHM CN(Cc1ccc(O)cc1)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436913996 981620450 /nfs/dbraw/zinc/62/04/50/981620450.db2.gz XKJFYWMDBVQHER-QFIPXVFZSA-N -1 3 404.466 3.618 20 0 HHADHM O=C(Nc1ccc(-c2nccs2)cc1)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436916728 981621982 /nfs/dbraw/zinc/62/19/82/981621982.db2.gz BARRAVHSSSTFJS-UHFFFAOYSA-N -1 3 422.510 3.942 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCCCOc1ccccc1 ZINC000436917075 981622036 /nfs/dbraw/zinc/62/20/36/981622036.db2.gz YMJVQFQKOGFCGA-HSZRJFAPSA-N -1 3 418.493 3.839 20 0 HHADHM O=c1ccccn1CCCc1noc(-c2cc(OCc3ccccc3)ccc2[O-])n1 ZINC000436916899 981622208 /nfs/dbraw/zinc/62/22/08/981622208.db2.gz BIVMHFXQTRRXOB-UHFFFAOYSA-N -1 3 403.438 3.816 20 0 HHADHM O=C(c1ccccc1[O-])N1CCN(C(=O)C2(Cc3cccs3)CCCCC2)CC1 ZINC000436920524 981624284 /nfs/dbraw/zinc/62/42/84/981624284.db2.gz SGFOQBKQZMVIAX-UHFFFAOYSA-N -1 3 412.555 3.931 20 0 HHADHM Cc1ccccc1[C@@H](NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)C(C)(C)C ZINC000436919767 981624582 /nfs/dbraw/zinc/62/45/82/981624582.db2.gz OWVFFUUKEZBKPT-OAQYLSRUSA-N -1 3 409.530 3.955 20 0 HHADHM CCc1nc(CCNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cs1 ZINC000436921648 981625390 /nfs/dbraw/zinc/62/53/90/981625390.db2.gz KBZYWHNVVRIZNV-FQEVSTJZSA-N -1 3 423.538 3.631 20 0 HHADHM Cc1nc(CN(C)C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cs1 ZINC000436920756 981625405 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ZINC000441008685 984020177 /nfs/dbraw/zinc/02/01/77/984020177.db2.gz LCSORFHQYFZKGE-MRXNPFEDSA-N -1 3 406.360 3.670 20 0 HHADHM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(NS(=O)(=O)C(C)C)c(F)c1 ZINC000441360837 984207826 /nfs/dbraw/zinc/20/78/26/984207826.db2.gz YJRMUYCDOYSFIQ-UHFFFAOYSA-N -1 3 420.915 3.738 20 0 HHADHM Cc1cccc(Oc2ccccc2C(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)c1 ZINC000461634891 984655310 /nfs/dbraw/zinc/65/53/10/984655310.db2.gz YXRZFERXXZDJHP-UHFFFAOYSA-N -1 3 403.438 3.936 20 0 HHADHM Cc1c(C(=O)[N-]c2cc(-c3ccccc3)on2)sc2nc3n(c(=O)c12)CCCCC3 ZINC000461645926 984666490 /nfs/dbraw/zinc/66/64/90/984666490.db2.gz KYQXBBIJBKJNMN-UHFFFAOYSA-N -1 3 420.494 4.400 20 0 HHADHM CCC[C@@H](C)[C@@H]1CCCN1C(=O)C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000442173998 984696942 /nfs/dbraw/zinc/69/69/42/984696942.db2.gz QTXGXTMYFPJPJV-BEFAXECRSA-N -1 3 410.518 3.777 20 0 HHADHM O=C(NCc1ncccc1[O-])N[C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000461721846 984737882 /nfs/dbraw/zinc/73/78/82/984737882.db2.gz GNXMYSFVFUWAHW-OAHLLOKOSA-N -1 3 415.291 3.908 20 0 HHADHM CCOC(=O)c1ccccc1S(=O)(=O)[N-]c1cc2c(cc1Br)CCC2 ZINC000442236106 984756792 /nfs/dbraw/zinc/75/67/92/984756792.db2.gz JSZBBXAXQAJAIU-UHFFFAOYSA-N -1 3 424.316 3.915 20 0 HHADHM COC[C@@H](C)[C@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000461772916 984773142 /nfs/dbraw/zinc/77/31/42/984773142.db2.gz DDODVHBNRHICHO-CABCVRRESA-N -1 3 408.495 3.792 20 0 HHADHM CC(C)CN1Cc2cccc(NC(=O)c3cc(Cl)ccc3[N-]S(C)(=O)=O)c2C1 ZINC000442581647 985069844 /nfs/dbraw/zinc/06/98/44/985069844.db2.gz RSENONSHHCNEHR-UHFFFAOYSA-N -1 3 421.950 3.935 20 0 HHADHM CC(C)[C@@H](C)N1Cc2cccc([N-]S(=O)(=O)c3ccc(C(=O)N(C)C)cc3)c2C1 ZINC000442604401 985086921 /nfs/dbraw/zinc/08/69/21/985086921.db2.gz JKKYZWPRCPCFNT-MRXNPFEDSA-N -1 3 415.559 3.549 20 0 HHADHM CCC[C@H](C)N1Cc2cccc([N-]S(=O)(=O)c3ccc(C(=O)N(C)C)cc3)c2C1 ZINC000442615520 985093616 /nfs/dbraw/zinc/09/36/16/985093616.db2.gz CVZBHHFVCYMIGI-INIZCTEOSA-N -1 3 415.559 3.693 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCc2csc(C(C)C)n2)s1 ZINC000462162903 985138428 /nfs/dbraw/zinc/13/84/28/985138428.db2.gz HVXWPAHUJNOALS-UHFFFAOYSA-N -1 3 409.396 3.920 20 0 HHADHM C[C@H]1COCC[C@H]1c1noc(-c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)n1 ZINC000442684071 985155537 /nfs/dbraw/zinc/15/55/37/985155537.db2.gz WSJWCKBBKLHAST-XJKSGUPXSA-N -1 3 417.462 3.817 20 0 HHADHM Cc1nc([N-]C(=O)c2cc(-c3ccccc3C(F)(F)F)on2)n(-c2ccccc2)n1 ZINC000462187164 985168673 /nfs/dbraw/zinc/16/86/73/985168673.db2.gz LJRTUSAXVQFXBP-UHFFFAOYSA-N -1 3 413.359 3.924 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000442728875 985189244 /nfs/dbraw/zinc/18/92/44/985189244.db2.gz HEXWGIBSASWQJF-LLVKDONJSA-N -1 3 419.396 3.713 20 0 HHADHM CC[C@@H]([N-]S(=O)(=O)c1c(C)csc1C(=O)OC)c1nc(-c2ccccc2)c[nH]1 ZINC000442736372 985194251 /nfs/dbraw/zinc/19/42/51/985194251.db2.gz BRPQUSUCZNCVED-CQSZACIVSA-N -1 3 419.528 3.663 20 0 HHADHM O=S(=O)([N-]CCc1nc2cc(Cl)ccc2s1)c1cnccc1C(F)(F)F ZINC000442763452 985207765 /nfs/dbraw/zinc/20/77/65/985207765.db2.gz RWWQNXXXOMZXJA-UHFFFAOYSA-N -1 3 421.853 3.885 20 0 HHADHM O=S(=O)([N-][C@@H](c1cccc(F)c1)c1ccccn1)c1cnccc1C(F)(F)F ZINC000442774228 985211771 /nfs/dbraw/zinc/21/17/71/985211771.db2.gz ZYNCYGFGRZIEMS-KRWDZBQOSA-N -1 3 411.380 3.702 20 0 HHADHM COc1ccccc1C[C@@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)C(C)C ZINC000442772958 985211871 /nfs/dbraw/zinc/21/18/71/985211871.db2.gz WHQUJRMKKDJEDM-OAHLLOKOSA-N -1 3 402.438 3.655 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H](C)CCc1ccc(C)o1 ZINC000442829574 985233749 /nfs/dbraw/zinc/23/37/49/985233749.db2.gz PRWNLYPVUJPOFP-LBPRGKRZSA-N -1 3 407.513 3.889 20 0 HHADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2Br)c(C)c1 ZINC000442832044 985234672 /nfs/dbraw/zinc/23/46/72/985234672.db2.gz AKEQEJTVAFBJBF-UHFFFAOYSA-N -1 3 420.231 3.623 20 0 HHADHM CCOc1ccccc1CN1CCN(C(=O)CCCc2ccc([O-])c(F)c2)[C@@H](C)C1 ZINC000442896897 985267686 /nfs/dbraw/zinc/26/76/86/985267686.db2.gz LRJKIBFZGWOOTN-SFHVURJKSA-N -1 3 414.521 3.986 20 0 HHADHM O=S(=O)([N-]C[C@H]1CCCO[C@@H]1c1ccccc1)c1cnccc1C(F)(F)F ZINC000442906916 985273014 /nfs/dbraw/zinc/27/30/14/985273014.db2.gz IHLCMOADSSYRSS-RHSMWYFYSA-N -1 3 400.422 3.547 20 0 HHADHM CCN(CC)[C@@H](C[N-]S(=O)(=O)c1cnccc1C(F)(F)F)c1ccsc1 ZINC000442907653 985274005 /nfs/dbraw/zinc/27/40/05/985274005.db2.gz JJEWQHVKBAHIGB-AWEZNQCLSA-N -1 3 407.483 3.523 20 0 HHADHM O=S(=O)([N-][C@@H]1CCOc2c(F)ccc(F)c21)c1cccc(Br)c1F ZINC000462291598 985278572 /nfs/dbraw/zinc/27/85/72/985278572.db2.gz NVIXAYDHBYAICY-LLVKDONJSA-N -1 3 422.222 3.669 20 0 HHADHM Cc1nc(C)c(CC(=O)N2CCC(C)(c3ccc(Br)cc3)CC2)c(=O)[n-]1 ZINC000442972329 985310355 /nfs/dbraw/zinc/31/03/55/985310355.db2.gz KMYXDTFIFMAASO-UHFFFAOYSA-N -1 3 418.335 3.684 20 0 HHADHM Cc1ccc(N2CCC([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)nc1 ZINC000462333026 985323721 /nfs/dbraw/zinc/32/37/21/985323721.db2.gz IFEMZQHEGZDGEX-UHFFFAOYSA-N -1 3 400.331 3.644 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](c1ccc(F)cc1)C1CCCC1 ZINC000443014748 985337777 /nfs/dbraw/zinc/33/77/77/985337777.db2.gz DBAIZCTVWHCWTB-IBGZPJMESA-N -1 3 409.454 3.961 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H](C)c1cccc(OC)c1 ZINC000443014699 985337792 /nfs/dbraw/zinc/33/77/92/985337792.db2.gz QJFHXQRZDQNHKY-GFCCVEGCSA-N -1 3 405.497 3.736 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C(C)(C)c1cccc(C(F)(F)F)c1 ZINC000443068276 985359689 /nfs/dbraw/zinc/35/96/89/985359689.db2.gz HPBYFXCHWHRXBL-UHFFFAOYSA-N -1 3 419.396 3.845 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000443073975 985362810 /nfs/dbraw/zinc/36/28/10/985362810.db2.gz VEXGDVPTCLARJK-UHFFFAOYSA-N -1 3 417.380 3.599 20 0 HHADHM CC[C@H](Cc1ccc(Cl)cc1Cl)[N-]S(=O)(=O)c1csnc1C(=O)OC ZINC000443076830 985364646 /nfs/dbraw/zinc/36/46/46/985364646.db2.gz DENUCMWZMDBEOH-LLVKDONJSA-N -1 3 423.343 3.536 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C(C)(C)c1nc(C)cs1 ZINC000443109301 985380294 /nfs/dbraw/zinc/38/02/94/985380294.db2.gz KOKVRXOAWJFEPJ-UHFFFAOYSA-N -1 3 410.542 3.666 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@H](C)N2CCc3ccccc32)s1 ZINC000462424862 985397410 /nfs/dbraw/zinc/39/74/10/985397410.db2.gz FUNNNHOPTFWTFO-NSHDSACASA-N -1 3 415.378 3.549 20 0 HHADHM CCc1nc(C(C)(C)[N-]S(=O)(=O)c2cc(Cl)ccc2OCCC2CC2)no1 ZINC000443157478 985414944 /nfs/dbraw/zinc/41/49/44/985414944.db2.gz ZAVMQVLTRGELJV-UHFFFAOYSA-N -1 3 413.927 3.678 20 0 HHADHM CC[C@H](C)[C@@](C)(O)C[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000443298977 985480006 /nfs/dbraw/zinc/48/00/06/985480006.db2.gz IHEPAEMNWMDNFI-ZANVPECISA-N -1 3 418.275 3.543 20 0 HHADHM CC[C@@H](C)[C@](C)(O)C[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000443298973 985480047 /nfs/dbraw/zinc/48/00/47/985480047.db2.gz IHEPAEMNWMDNFI-NOZJJQNGSA-N -1 3 418.275 3.543 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@H](c2ccc(F)cc2)N(C)C)s1 ZINC000462541675 985489279 /nfs/dbraw/zinc/48/92/79/985489279.db2.gz GIUNZAWWOBECEN-CQSZACIVSA-N -1 3 421.357 3.539 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2ccoc2)c(Br)c1 ZINC000462555231 985502846 /nfs/dbraw/zinc/50/28/46/985502846.db2.gz WBIYOQXNQGWKED-UHFFFAOYSA-N -1 3 409.099 3.592 20 0 HHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]Cc1ccc(C)cc1OC(C)(C)C ZINC000443348470 985512719 /nfs/dbraw/zinc/51/27/19/985512719.db2.gz BBGDLIFGPBGIAH-UHFFFAOYSA-N -1 3 409.479 3.577 20 0 HHADHM COc1ccc(O[C@@H](C)C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1 ZINC000462602469 985547771 /nfs/dbraw/zinc/54/77/71/985547771.db2.gz MDYDBIPPRYVFSF-NSHDSACASA-N -1 3 407.385 3.599 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000467927600 985560662 /nfs/dbraw/zinc/56/06/62/985560662.db2.gz PSTUTPCGMTTYEZ-MNOVXSKESA-N -1 3 400.194 3.992 20 0 HHADHM C[C@@H](COCc1ccccc1)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000462625818 985568274 /nfs/dbraw/zinc/56/82/74/985568274.db2.gz YLKMBWOOFMHHTG-LBPRGKRZSA-N -1 3 418.740 3.986 20 0 HHADHM CCc1cnc(CC[N-]S(=O)(=O)c2cc(Br)ccc2Cl)s1 ZINC000462631087 985573516 /nfs/dbraw/zinc/57/35/16/985573516.db2.gz MDNZIWROZPUUJO-UHFFFAOYSA-N -1 3 409.758 3.642 20 0 HHADHM CCSCc1cccc([N-]S(=O)(=O)c2ccc(OC)c(CNC(=O)CC)c2)c1 ZINC000443451944 985620412 /nfs/dbraw/zinc/62/04/12/985620412.db2.gz IBNOJFDWEGSWLN-UHFFFAOYSA-N -1 3 422.572 3.775 20 0 HHADHM COc1cccc(-c2noc([C@H](C)[N-]S(=O)(=O)Cc3ccccc3Cl)n2)c1 ZINC000462684603 985624189 /nfs/dbraw/zinc/62/41/89/985624189.db2.gz QWYHEFNLUFMOJX-LBPRGKRZSA-N -1 3 407.879 3.579 20 0 HHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2C[C@H](C)N(c3ccccc3)C2=O)c1Cl ZINC000462699756 985642098 /nfs/dbraw/zinc/64/20/98/985642098.db2.gz HHPXUUMRWCMXHB-SWLSCSKDSA-N -1 3 413.326 3.774 20 0 HHADHM C[C@@H]1C[C@H]([N-]S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1 ZINC000462701404 985644219 /nfs/dbraw/zinc/64/42/19/985644219.db2.gz HXOSRNNQYMUADB-PXAZEXFGSA-N -1 3 413.326 3.607 20 0 HHADHM CCC[C@@H](C)CS(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)N(C)c1ccccc1 ZINC000462705164 985648942 /nfs/dbraw/zinc/64/89/42/985648942.db2.gz OTCNZOMVPPOFGK-NQIIRXRSSA-N -1 3 402.560 3.616 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCCC[C@H]1Oc1ccccc1C ZINC000443502639 985674727 /nfs/dbraw/zinc/67/47/27/985674727.db2.gz WTCREXSWLHYATL-FUHWJXTLSA-N -1 3 421.490 3.589 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCCC[C@H]1Oc1cccc(C)c1 ZINC000443507749 985678640 /nfs/dbraw/zinc/67/86/40/985678640.db2.gz ITVUNYKMBNKISU-ZWKOTPCHSA-N -1 3 421.490 3.589 20 0 HHADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@H](c1cccc(Cl)c1)C1CCCC1 ZINC000443507849 985679093 /nfs/dbraw/zinc/67/90/93/985679093.db2.gz HJXKXVLOWZCJMO-HNNXBMFYSA-N -1 3 414.936 3.793 20 0 HHADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@@H](c1cccc(Cl)c1)C1CCCC1 ZINC000443507850 985679171 /nfs/dbraw/zinc/67/91/71/985679171.db2.gz HJXKXVLOWZCJMO-OAHLLOKOSA-N -1 3 414.936 3.793 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)NCc3cc(=O)[nH]c4ccccc34)cc2)cc(=O)[n-]1 ZINC000443544408 985715353 /nfs/dbraw/zinc/71/53/53/985715353.db2.gz VROHCFJXAWXBDB-UHFFFAOYSA-N -1 3 401.426 3.733 20 0 HHADHM CCN(C[C@H](C)OC)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C ZINC000462853173 985778648 /nfs/dbraw/zinc/77/86/48/985778648.db2.gz GIVNJQXQLPEPTR-KRWDZBQOSA-N -1 3 404.532 3.601 20 0 HHADHM CC[C@H](CS(=O)(=O)c1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000443749060 985964463 /nfs/dbraw/zinc/96/44/63/985964463.db2.gz PVHXINAOQPDBQG-CYBMUJFWSA-N -1 3 422.355 3.524 20 0 HHADHM O=S(=O)([N-]Cc1ccc(COC2CCOCC2)cc1)c1cccc(Cl)c1F ZINC000443752003 985966414 /nfs/dbraw/zinc/96/64/14/985966414.db2.gz GIYDHQFZAWMUAZ-UHFFFAOYSA-N -1 3 413.898 3.653 20 0 HHADHM CCc1cc(=O)[n-]c(CN2CCc3c(cccc3NC(=O)Nc3ccccc3)C2)n1 ZINC000468267127 985969116 /nfs/dbraw/zinc/96/91/16/985969116.db2.gz XYNNHAWFVHKDTM-UHFFFAOYSA-N -1 3 403.486 3.947 20 0 HHADHM CCC[C@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccc(F)cc1F ZINC000468370505 986070194 /nfs/dbraw/zinc/07/01/94/986070194.db2.gz AENHDKOKZPEKEY-ZDUSSCGKSA-N -1 3 422.906 3.616 20 0 HHADHM Cc1c(C(=O)Nc2ccc(C)cc2C)sc2[n-]c(CS[C@H](C)CO)nc(=O)c12 ZINC000463218046 986190267 /nfs/dbraw/zinc/19/02/67/986190267.db2.gz ISLXWQJWCYYCOD-GFCCVEGCSA-N -1 3 417.556 3.776 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CN3CCSCC3)c2C)c(C)c1C ZINC000444033783 986230182 /nfs/dbraw/zinc/23/01/82/986230182.db2.gz NNXQCDLEOYJIBH-UHFFFAOYSA-N -1 3 420.600 3.970 20 0 HHADHM CCN1CCN(c2ccc([N-]S(=O)(=O)c3c(F)cccc3Cl)c(C)c2)CC1 ZINC000444053478 986253129 /nfs/dbraw/zinc/25/31/29/986253129.db2.gz JQNUKXPIPDZSGX-UHFFFAOYSA-N -1 3 411.930 3.730 20 0 HHADHM CO[C@](C)(C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1)C1CC1 ZINC000463464269 986443212 /nfs/dbraw/zinc/44/32/12/986443212.db2.gz JWBAHRYDGJPERS-NRFANRHFSA-N -1 3 402.516 3.858 20 0 HHADHM CC[C@H](c1ccncc1)N(C)C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000444264443 986461260 /nfs/dbraw/zinc/46/12/60/986461260.db2.gz ZFRVZELYRMFCLN-QGZVFWFLSA-N -1 3 400.276 3.909 20 0 HHADHM CC(C)(C)c1ccc(S(=O)(=O)CCNC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000468772066 986484904 /nfs/dbraw/zinc/48/49/04/986484904.db2.gz BEYCMYIEKIMHBW-UHFFFAOYSA-N -1 3 421.534 3.742 20 0 HHADHM Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC000444321380 986502034 /nfs/dbraw/zinc/50/20/34/986502034.db2.gz GRWDGHWSRORJKF-CQSZACIVSA-N -1 3 420.391 3.744 20 0 HHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)NCc3ccc[nH]3)ccc2C)c(C)c1 ZINC000468796494 986506359 /nfs/dbraw/zinc/50/63/59/986506359.db2.gz CPONCGSWEJARRB-UHFFFAOYSA-N -1 3 411.527 3.979 20 0 HHADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H](C)c2ccc(OCC3CC3)c(F)c2)c1 ZINC000468807822 986516006 /nfs/dbraw/zinc/51/60/06/986516006.db2.gz CAUKUCGZLQPGMQ-LLVKDONJSA-N -1 3 413.492 3.502 20 0 HHADHM C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)C1 ZINC000444373922 986550276 /nfs/dbraw/zinc/55/02/76/986550276.db2.gz WWGMATXNMRSQIX-XIKOKIGWSA-N -1 3 412.287 3.909 20 0 HHADHM Cc1cn(-c2c(F)cccc2F)nc1C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000468889939 986596367 /nfs/dbraw/zinc/59/63/67/986596367.db2.gz JUKGKGDIDDYSPT-UHFFFAOYSA-N -1 3 421.407 3.770 20 0 HHADHM Cc1cccc([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)c1Br ZINC000468898143 986605075 /nfs/dbraw/zinc/60/50/75/986605075.db2.gz JWICBAIGCFQFOC-UHFFFAOYSA-N -1 3 417.668 3.646 20 0 HHADHM Cc1cc2cc[nH]c2cc1NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000444452521 986635148 /nfs/dbraw/zinc/63/51/48/986635148.db2.gz YJLCOJVPYFEPQI-UHFFFAOYSA-N -1 3 412.446 3.997 20 0 HHADHM O=C(Nc1cccc(C[N-]S(=O)(=O)c2c(F)cccc2Cl)c1)c1ccncc1 ZINC000463672464 986654694 /nfs/dbraw/zinc/65/46/94/986654694.db2.gz ZBOSVAXGBVFYCO-UHFFFAOYSA-N -1 3 419.865 3.605 20 0 HHADHM COc1ccc(Nc2nc(C(=O)[N-]c3nnc(-c4c[nH]nc4C)s3)cs2)cc1 ZINC000444477211 986663214 /nfs/dbraw/zinc/66/32/14/986663214.db2.gz LNDXXHBMJGITTR-UHFFFAOYSA-N -1 3 413.488 3.698 20 0 HHADHM COc1ccc(C[N-]S(=O)(=O)c2c(F)cccc2Cl)cc1Br ZINC000463703596 986688849 /nfs/dbraw/zinc/68/88/49/986688849.db2.gz OVNXGXUKBKQHPP-UHFFFAOYSA-N -1 3 408.676 3.729 20 0 HHADHM CN(C(=O)c1ccc(NC(=O)CCCc2ccc([O-])c(F)c2)cc1)C1CCOCC1 ZINC000468992084 986697885 /nfs/dbraw/zinc/69/78/85/986697885.db2.gz NEUHXZYVKSRMFD-UHFFFAOYSA-N -1 3 414.477 3.744 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000468999994 986704884 /nfs/dbraw/zinc/70/48/84/986704884.db2.gz OPKCQAATUOZGLI-FQEVSTJZSA-N -1 3 420.912 3.697 20 0 HHADHM O=C([N-]c1nc(C2CCC2)cs1)c1sccc1S(=O)(=O)NCc1ccco1 ZINC000444524908 986713774 /nfs/dbraw/zinc/71/37/74/986713774.db2.gz KGTVACAUBOHMAI-UHFFFAOYSA-N -1 3 423.541 3.796 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CSC[C@@H]1C(=O)Nc1cccc(F)c1 ZINC000469029186 986739476 /nfs/dbraw/zinc/73/94/76/986739476.db2.gz UAQYBHGFOKTPOU-QGZVFWFLSA-N -1 3 406.454 3.533 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)cc1OC ZINC000469124288 986842370 /nfs/dbraw/zinc/84/23/70/986842370.db2.gz YWINUMXPGVBJMG-VXGBXAGGSA-N -1 3 414.936 3.914 20 0 HHADHM CCOC(=O)c1nc(C2CCN(C(=O)C3(c4ccccc4C)CCCCC3)CC2)n[n-]1 ZINC000444664198 986847718 /nfs/dbraw/zinc/84/77/18/986847718.db2.gz NEWYJJFVQQJVET-UHFFFAOYSA-N -1 3 424.545 3.898 20 0 HHADHM CCOC(=O)c1nnc(C2CCN(C(=O)C3(c4ccccc4C)CCCCC3)CC2)[n-]1 ZINC000444664198 986847734 /nfs/dbraw/zinc/84/77/34/986847734.db2.gz NEWYJJFVQQJVET-UHFFFAOYSA-N -1 3 424.545 3.898 20 0 HHADHM O=C(NCc1ccc([O-])c(F)c1)C(=O)Nc1ccnc(Oc2ccccc2Cl)c1 ZINC000444667000 986850759 /nfs/dbraw/zinc/85/07/59/986850759.db2.gz XNEYNPIJTXREBE-UHFFFAOYSA-N -1 3 415.808 3.627 20 0 HHADHM CCCS(=O)(=O)Nc1cccc(NC(=O)CCCc2ccc([O-])c(F)c2)c1C ZINC000469140133 986860514 /nfs/dbraw/zinc/86/05/14/986860514.db2.gz FOLHUYUYILIEJW-UHFFFAOYSA-N -1 3 408.495 3.953 20 0 HHADHM CC(C)C[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)C1 ZINC000469182631 986907153 /nfs/dbraw/zinc/90/71/53/986907153.db2.gz ZLXZEKZKMJENHE-HNNXBMFYSA-N -1 3 407.511 3.853 20 0 HHADHM CCCCCOc1ccc(C(=O)N2CCC(c3n[n-]c(C(=O)OCC)n3)CC2)cc1 ZINC000444762741 986923336 /nfs/dbraw/zinc/92/33/36/986923336.db2.gz RUEXUNVWPIRQMO-UHFFFAOYSA-N -1 3 414.506 3.570 20 0 HHADHM CCCCCOc1ccc(C(=O)N2CCC(c3nnc(C(=O)OCC)[n-]3)CC2)cc1 ZINC000444762741 986923340 /nfs/dbraw/zinc/92/33/40/986923340.db2.gz RUEXUNVWPIRQMO-UHFFFAOYSA-N -1 3 414.506 3.570 20 0 HHADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC)c1nc(C)cs1 ZINC000469205718 986929913 /nfs/dbraw/zinc/92/99/13/986929913.db2.gz BZBQALAEHDQAHX-TZMCWYRMSA-N -1 3 418.968 3.948 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CCC[C@@]1(C)Cc1ccccc1 ZINC000469236070 986956568 /nfs/dbraw/zinc/95/65/68/986956568.db2.gz AOAABNJFTIIJQK-VWLOTQADSA-N -1 3 416.525 3.697 20 0 HHADHM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC)c1nccs1 ZINC000469302476 987016845 /nfs/dbraw/zinc/01/68/45/987016845.db2.gz UBDJRDQMSGAAGN-AAEUAGOBSA-N -1 3 404.941 3.640 20 0 HHADHM COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000469383790 987080996 /nfs/dbraw/zinc/08/09/96/987080996.db2.gz MASIOPWWNOLVHC-LJQANCHMSA-N -1 3 414.477 3.801 20 0 HHADHM CCC1(CC)CN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)CC[S@]1=O ZINC000469444429 987130825 /nfs/dbraw/zinc/13/08/25/987130825.db2.gz LHKTYPWTFFGKSX-HHHXNRCGSA-N -1 3 405.545 3.780 20 0 HHADHM CC[C@H](Cc1ccccc1)N(CC)C(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000469453978 987140266 /nfs/dbraw/zinc/14/02/66/987140266.db2.gz FNTISOTZBJQAOD-OAQYLSRUSA-N -1 3 418.541 3.943 20 0 HHADHM COc1ccc([O-])c(-c2nc(-c3csc(I)c3)no2)c1 ZINC000445306075 987362811 /nfs/dbraw/zinc/36/28/11/987362811.db2.gz YSISEAUVEOSSIX-UHFFFAOYSA-N -1 3 400.197 3.784 20 0 HHADHM C[C@H]1SCCN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)[C@H]1C ZINC000469708975 987365203 /nfs/dbraw/zinc/36/52/03/987365203.db2.gz BWKUMJOXJUWQPO-DTWKUNHWSA-N -1 3 415.740 3.910 20 0 HHADHM Cc1cc(=O)[n-]c([C@H](C)Sc2nc3ccccc3c(=O)n2CCCOC(C)C)n1 ZINC000469810378 987450558 /nfs/dbraw/zinc/45/05/58/987450558.db2.gz WRTCZOVLGNZESO-HNNXBMFYSA-N -1 3 414.531 3.869 20 0 HHADHM CC(C)OCCCNC(=O)Cc1noc(-c2cc(Cc3ccccc3)ccc2[O-])n1 ZINC000445407631 987466034 /nfs/dbraw/zinc/46/60/34/987466034.db2.gz QIRIZHBMVHQPCS-UHFFFAOYSA-N -1 3 409.486 3.507 20 0 HHADHM COc1cc(-c2nc(CC(=O)Nc3ccccc3C(F)(F)F)no2)cc(OC)c1[O-] ZINC000445431285 987503420 /nfs/dbraw/zinc/50/34/20/987503420.db2.gz MZYIVVIVPZZSAQ-UHFFFAOYSA-N -1 3 423.347 3.659 20 0 HHADHM CC(C)Oc1ccc([N-]S(=O)(=O)Cc2nc(Cc3ccc(F)c(F)c3)no2)cc1 ZINC000445441735 987513465 /nfs/dbraw/zinc/51/34/65/987513465.db2.gz LCOMJILZDXXNDE-UHFFFAOYSA-N -1 3 423.441 3.668 20 0 HHADHM Cc1ccc(F)cc1-c1nnc([N-]C(=O)c2cn(Cc3cccc(F)c3)nn2)s1 ZINC000469885133 987521948 /nfs/dbraw/zinc/52/19/48/987521948.db2.gz SHLNTRRJANCZNP-UHFFFAOYSA-N -1 3 412.425 3.684 20 0 HHADHM CS(=O)(=O)c1ccc(-c2csc(CC(=O)Nc3cc(Cl)ccc3[O-])n2)cc1 ZINC000469888037 987525228 /nfs/dbraw/zinc/52/52/28/987525228.db2.gz LHQAXIFVKRREHT-UHFFFAOYSA-N -1 3 422.915 3.754 20 0 HHADHM COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)[N-][C@H](CC(F)(F)F)C(C)C ZINC000445702064 987767852 /nfs/dbraw/zinc/76/78/52/987767852.db2.gz KXIGESOJYQPWNS-LLVKDONJSA-N -1 3 421.359 3.747 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cc(C)c(F)cc2Cl)cc1OC ZINC000470158749 988069843 /nfs/dbraw/zinc/06/98/43/988069843.db2.gz NSMBTTGGLVURHN-UHFFFAOYSA-N -1 3 400.859 3.810 20 0 HHADHM O=S(=O)([N-]c1ccc(F)c(-c2nnc[nH]2)c1)c1ccc(F)c(C(F)(F)F)c1 ZINC000470246862 988189445 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20 0 HHADHM CCC(CC)(CNC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000464684683 988891023 /nfs/dbraw/zinc/89/10/23/988891023.db2.gz HHQCKDZILABGDX-UHFFFAOYSA-N -1 3 414.980 3.554 20 0 HHADHM CCSCC[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000464713970 988926881 /nfs/dbraw/zinc/92/68/81/988926881.db2.gz RSYTWLBFZUIFLW-AWEZNQCLSA-N -1 3 410.536 3.888 20 0 HHADHM COC(=O)c1sc2[n-]c(CN3C[C@@H](C)C[C@@H]3c3ccccc3F)nc(=O)c2c1C ZINC000464727626 988947517 /nfs/dbraw/zinc/94/75/17/988947517.db2.gz WEKARYIZNVLMGH-XHDPSFHLSA-N -1 3 415.490 3.802 20 0 HHADHM O=c1c([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)cccn1CC(F)(F)F ZINC000464834016 989074959 /nfs/dbraw/zinc/07/49/59/989074959.db2.gz PFJBGDZJGNDEJQ-UHFFFAOYSA-N -1 3 401.193 3.518 20 0 HHADHM COC(=O)c1sc2[n-]c(CN3CC[C@@H](C)C[C@H]3c3ccco3)nc(=O)c2c1C ZINC000464857641 989111605 /nfs/dbraw/zinc/11/16/05/989111605.db2.gz OHHCEKZBBCKKDA-YPMHNXCESA-N -1 3 401.488 3.646 20 0 HHADHM Cc1ccc(NC(=O)[C@H]2CCCN(Cc3nc4c5ccccc5oc4c(=O)[n-]3)C2)nc1 ZINC000471155205 989271100 /nfs/dbraw/zinc/27/11/00/989271100.db2.gz CARUHCGDEFGQTN-HNNXBMFYSA-N -1 3 417.469 3.636 20 0 HHADHM COC(=O)Cc1nc(NC(=O)c2ccc(Oc3ccc(Cl)cc3Cl)cc2)n[n-]1 ZINC000465119926 989453028 /nfs/dbraw/zinc/45/30/28/989453028.db2.gz IIXWBYUXJSRDNB-UHFFFAOYSA-N -1 3 421.240 3.872 20 0 HHADHM CCCn1ccc2ccc(NC(=O)C[N-]S(=O)(=O)c3ccc(Cl)s3)cc21 ZINC000465146976 989477217 /nfs/dbraw/zinc/47/72/17/989477217.db2.gz NFNPNGDNYJMMGC-UHFFFAOYSA-N -1 3 411.936 3.683 20 0 HHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CC1(c2ccccc2)CCOCC1 ZINC000471321998 989480659 /nfs/dbraw/zinc/48/06/59/989480659.db2.gz KGNPPXPQGVVKGS-UHFFFAOYSA-N -1 3 403.475 3.907 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1ccc(N2CCCCC2)c2ncccc12 ZINC000471405389 989582786 /nfs/dbraw/zinc/58/27/86/989582786.db2.gz LWBFKOBWBCPQJJ-UHFFFAOYSA-N -1 3 419.411 3.684 20 0 HHADHM CO[C@@]1(C)C[C@H](NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)C1(C)C ZINC000465255987 989607277 /nfs/dbraw/zinc/60/72/77/989607277.db2.gz CTXZTUACMWJVMG-RXVVDRJESA-N -1 3 420.506 3.560 20 0 HHADHM CO[C@@]1(C)C[C@H](NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)C1(C)C ZINC000465270976 989627959 /nfs/dbraw/zinc/62/79/59/989627959.db2.gz UUHYMBFZWNPWIB-RXVVDRJESA-N -1 3 420.506 3.560 20 0 HHADHM COc1ccc(C[C@H](NC(=O)NCc2ncccc2[O-])c2ccc(OC)cc2)cc1 ZINC000471536325 989736034 /nfs/dbraw/zinc/73/60/34/989736034.db2.gz ITYFWSXYDVKHHC-FQEVSTJZSA-N -1 3 407.470 3.588 20 0 HHADHM COc1ccc(NC(=O)[C@H](OC)C2CC2)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000471577246 989779696 /nfs/dbraw/zinc/77/96/96/989779696.db2.gz IGKLDDFJOROLSK-GOSISDBHSA-N -1 3 424.906 3.513 20 0 HHADHM Cc1nccn1CCCC[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000471590734 989794267 /nfs/dbraw/zinc/79/42/67/989794267.db2.gz OETTWSKBNRNUDR-UHFFFAOYSA-N -1 3 424.723 3.505 20 0 HHADHM O=S(=O)([N-]C[C@H]1CCCS1)c1ccc(Br)cc1C(F)(F)F ZINC000465499649 989848838 /nfs/dbraw/zinc/84/88/38/989848838.db2.gz YJCMKOZSXDTKLN-SECBINFHSA-N -1 3 404.273 3.642 20 0 HHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CCc1nccn1Cc1ccccc1 ZINC000471784402 989973024 /nfs/dbraw/zinc/97/30/24/989973024.db2.gz AGQUXGHJSDDELX-UHFFFAOYSA-N -1 3 413.474 3.646 20 0 HHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](c1nccn1C)c1ccccc1F ZINC000471794265 989979682 /nfs/dbraw/zinc/97/96/82/989979682.db2.gz SPUOOZYPDONHBU-GOSISDBHSA-N -1 3 417.437 3.821 20 0 HHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](C)c1noc(-c2ccccc2)n1 ZINC000471877661 990049691 /nfs/dbraw/zinc/04/96/91/990049691.db2.gz SRCALKXMUJFTCW-LBPRGKRZSA-N -1 3 401.419 3.970 20 0 HHADHM O=C(NCc1ncccc1[O-])NCC1(c2ccc(Br)cc2)CCCC1 ZINC000471894457 990066372 /nfs/dbraw/zinc/06/63/72/990066372.db2.gz YIQIDDYAWDXLBQ-UHFFFAOYSA-N -1 3 404.308 3.861 20 0 HHADHM COCCOc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2C)cc1 ZINC000471936934 990101573 /nfs/dbraw/zinc/10/15/73/990101573.db2.gz MUJTYOZINCJBNR-UHFFFAOYSA-N -1 3 400.294 3.584 20 0 HHADHM Cc1nc(C)c(CCC(=O)N2CCC[C@@H]2c2cc(F)cc(Br)c2)c(=O)[n-]1 ZINC000466289290 991537851 /nfs/dbraw/zinc/53/78/51/991537851.db2.gz PELUCHNINQDACH-QGZVFWFLSA-N -1 3 422.298 3.997 20 0 HHADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]Cc1cccc2cc[nH]c21 ZINC000466734935 992044016 /nfs/dbraw/zinc/04/40/16/992044016.db2.gz HZTJZESNGWRHAE-UHFFFAOYSA-N -1 3 413.268 3.557 20 0 HHADHM CCS[C@H]1CC[C@H](N(C)C(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)C1 ZINC000466980550 992290888 /nfs/dbraw/zinc/29/08/88/992290888.db2.gz HTLMCQOXTGBCJA-GJZGRUSLSA-N -1 3 415.581 3.595 20 0 HHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OCCC(C)C)cc2)ccc1OC ZINC000467081164 992387660 /nfs/dbraw/zinc/38/76/60/992387660.db2.gz LAMVHCGSPKAPTN-UHFFFAOYSA-N -1 3 407.488 3.708 20 0 HHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(Cl)c(-n3nnnc3C3CC3)c2)c(C)c1 ZINC000467082626 992388793 /nfs/dbraw/zinc/38/87/93/992388793.db2.gz CNCWCDMYWVQFGY-UHFFFAOYSA-N -1 3 417.922 3.919 20 0 HHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OCc3ccncc3)cc2)ccc1C ZINC000467085244 992391053 /nfs/dbraw/zinc/39/10/53/992391053.db2.gz LYDXIGGBWYHHOD-UHFFFAOYSA-N -1 3 412.467 3.556 20 0 HHADHM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(OCCC(=O)NC)cc2)cc1 ZINC000467087576 992392999 /nfs/dbraw/zinc/39/29/99/992392999.db2.gz ZQLJCWUVYADVDM-UHFFFAOYSA-N -1 3 404.532 3.690 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H]3C=CCCC3)ccc2C)cc1 ZINC000467273037 992594838 /nfs/dbraw/zinc/59/48/38/992594838.db2.gz LDNPANFPWYDVBC-KRWDZBQOSA-N -1 3 400.500 3.643 20 0 HHADHM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3ccc(N4CCCC[C@H]4C)cc3C)cc12 ZINC000467427494 992726730 /nfs/dbraw/zinc/72/67/30/992726730.db2.gz GPXFBTLGKVSCAK-OAHLLOKOSA-N -1 3 413.547 3.765 20 0 HHADHM Cc1cc(N2CCCC[C@H]2C)ccc1[N-]S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000467430922 992729261 /nfs/dbraw/zinc/72/92/61/992729261.db2.gz YETZYZKEPZAOKY-MRXNPFEDSA-N -1 3 422.572 3.578 20 0 HHADHM Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)[N-]c1ccc(NC(=O)CN(C)C)cc1 ZINC000467443839 992740418 /nfs/dbraw/zinc/74/04/18/992740418.db2.gz SZBKXCNAOXCAAH-UHFFFAOYSA-N -1 3 417.575 3.902 20 0 HHADHM CC(C)CCc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CN(C)C)cc2)cc1 ZINC000467444486 992741246 /nfs/dbraw/zinc/74/12/46/992741246.db2.gz VZYHJTIQNOHRGB-UHFFFAOYSA-N -1 3 403.548 3.576 20 0 HHADHM CC(C)(C)Nc1ccccc1NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000467660345 992920206 /nfs/dbraw/zinc/92/02/06/992920206.db2.gz UXRJLGKHRDJJJW-UHFFFAOYSA-N -1 3 401.941 3.529 20 0 HHADHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H](C)c2ccc(-c3ccncc3)cc2)c1 ZINC000467785129 993022400 /nfs/dbraw/zinc/02/24/00/993022400.db2.gz RMNXFZSUKYINFO-ZDUSSCGKSA-N -1 3 402.497 3.636 20 0 HHADHM CCOCCC1(C[N-]S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)CCCC1 ZINC000472302669 993315459 /nfs/dbraw/zinc/31/54/59/993315459.db2.gz WMUFODHQPZDGAW-UHFFFAOYSA-N -1 3 420.934 3.703 20 0 HHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CCc1nc(C(F)(F)F)cs1 ZINC000472306049 993318316 /nfs/dbraw/zinc/31/83/16/993318316.db2.gz OKAGNIRBANGLDF-UHFFFAOYSA-N -1 3 408.398 3.877 20 0 HHADHM COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)c1 ZINC000472456097 993458357 /nfs/dbraw/zinc/45/83/57/993458357.db2.gz RAZGDNHIWJFDAB-HKUYNNGSSA-N -1 3 405.454 3.505 20 0 HHADHM CN(C(=O)c1cc([O-])c2ccccc2c1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000472477520 993480142 /nfs/dbraw/zinc/48/01/42/993480142.db2.gz NDDXVMKWLWOCKZ-SFHVURJKSA-N -1 3 413.271 3.607 20 0 HHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C[C@H]2CCC3(CCCCC3)O2)cc1Cl ZINC000480863427 993735321 /nfs/dbraw/zinc/73/53/21/993735321.db2.gz LKMDSRZCZWAKOK-CYBMUJFWSA-N -1 3 418.918 3.598 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]Cc1ccccc1OCCC(C)C ZINC000480898817 993756236 /nfs/dbraw/zinc/75/62/36/993756236.db2.gz NNNVGYCODYLHCE-UHFFFAOYSA-N -1 3 409.479 3.516 20 0 HHADHM COC(=O)[C@H]([N-]S(=O)(=O)c1cccc(C(C)C)c1)c1ccc(OC)c(Cl)c1 ZINC000472949586 993881378 /nfs/dbraw/zinc/88/13/78/993881378.db2.gz HFDPLNIOJCAIOE-GOSISDBHSA-N -1 3 411.907 3.665 20 0 HHADHM CN(C)c1cc([N-]S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccn1 ZINC000481039329 993884222 /nfs/dbraw/zinc/88/42/22/993884222.db2.gz PULWHIHNAPUMIL-UHFFFAOYSA-N -1 3 413.343 3.986 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CC[C@H](C4CC4)C3)c2)cc1 ZINC000481081100 993919758 /nfs/dbraw/zinc/91/97/58/993919758.db2.gz RIVLFYNMFVVZGY-KRWDZBQOSA-N -1 3 414.527 3.677 20 0 HHADHM COc1ccc(OC)c([C@H]2C[C@H]2C(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000473075069 993993058 /nfs/dbraw/zinc/99/30/58/993993058.db2.gz FTGFDZHVOWJGJB-UKRRQHHQSA-N -1 3 406.276 3.592 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1ccc(Oc2ccc(Cl)cn2)cc1 ZINC000481215938 994048519 /nfs/dbraw/zinc/04/85/19/994048519.db2.gz WALXFXRXSBKMEM-UHFFFAOYSA-N -1 3 412.759 3.986 20 0 HHADHM Cc1ccnc(Oc2cc(NC(=O)NCc3nc(C(F)(F)F)n[n-]3)ccc2C)c1 ZINC000481233472 994063148 /nfs/dbraw/zinc/06/31/48/994063148.db2.gz LHCJWKLITIIIFI-UHFFFAOYSA-N -1 3 406.368 3.949 20 0 HHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1nnc(-c2ccc(Cl)cc2F)s1 ZINC000473386115 994241850 /nfs/dbraw/zinc/24/18/50/994241850.db2.gz HGBQTQZYFSAQLE-UHFFFAOYSA-N -1 3 411.871 3.776 20 0 HHADHM C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC000473386979 994243220 /nfs/dbraw/zinc/24/32/20/994243220.db2.gz IPIHSLBAHYKSAK-KCJUWKMLSA-N -1 3 408.298 3.840 20 0 HHADHM COCCOc1ccc(S(=O)(=O)[N-]c2cc(Br)c(F)cc2C)cc1 ZINC000473423590 994275800 /nfs/dbraw/zinc/27/58/00/994275800.db2.gz VMFJWNWDTMKGCU-UHFFFAOYSA-N -1 3 418.284 3.723 20 0 HHADHM CC(=O)Nc1cc(S(=O)(=O)Nc2ccc(Oc3ccc(C)cc3)nc2)ccc1[O-] ZINC000481590139 994435766 /nfs/dbraw/zinc/43/57/66/994435766.db2.gz CUOKNKJEUNAZMC-UHFFFAOYSA-N -1 3 413.455 3.647 20 0 HHADHM CN(C)c1ncc(Br)cc1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000473589637 994465628 /nfs/dbraw/zinc/46/56/28/994465628.db2.gz GPDVRZLVTDWFMN-UHFFFAOYSA-N -1 3 404.186 3.887 20 0 HHADHM O=C(NCc1ncccc1[O-])c1cccnc1Oc1cccc(Br)c1 ZINC000473631179 994511159 /nfs/dbraw/zinc/51/11/59/994511159.db2.gz QNDUIJYDHWELRW-UHFFFAOYSA-N -1 3 400.232 3.667 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@H](C)[C@H](C)c2ccccc2)cc1OC ZINC000473631804 994511864 /nfs/dbraw/zinc/51/18/64/994511864.db2.gz ZPLGZGDQXDTSOY-LSDHHAIUSA-N -1 3 405.520 3.771 20 0 HHADHM COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2ncccc2[O-])cc1 ZINC000473635451 994516232 /nfs/dbraw/zinc/51/62/32/994516232.db2.gz BCOGOHHPDHALNI-UHFFFAOYSA-N -1 3 400.438 3.579 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)NCc1ncccc1[O-] ZINC000473636291 994518104 /nfs/dbraw/zinc/51/81/04/994518104.db2.gz PANXKDGICDVXJI-SFHVURJKSA-N -1 3 409.873 3.618 20 0 HHADHM O=C(NCc1ncccc1[O-])[C@H](Oc1ccccc1Br)c1ccccc1 ZINC000473639735 994521438 /nfs/dbraw/zinc/52/14/38/994521438.db2.gz REAFBKFIDNBLQD-LJQANCHMSA-N -1 3 413.271 3.986 20 0 HHADHM COc1c(CNC(=O)NCc2ccc([O-])c(Br)c2)oc2ccccc21 ZINC000473713758 994605708 /nfs/dbraw/zinc/60/57/08/994605708.db2.gz YCHVYAFYFONYEP-UHFFFAOYSA-N -1 3 405.248 3.909 20 0 HHADHM COC[C@@H](Cc1ccccc1)N(C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000473730487 994626529 /nfs/dbraw/zinc/62/65/29/994626529.db2.gz BCOAJNCALFJPMB-MRXNPFEDSA-N -1 3 407.308 3.554 20 0 HHADHM CC(C)(CNC(=O)c1ccc(Br)c([O-])c1)N1CCc2ccccc2C1 ZINC000481804358 994651650 /nfs/dbraw/zinc/65/16/50/994651650.db2.gz FAUQNXRCRWAIAC-UHFFFAOYSA-N -1 3 403.320 3.721 20 0 HHADHM CCOC(=O)c1ccc(NC(=O)[C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)c([O-])c1 ZINC000481811088 994660176 /nfs/dbraw/zinc/66/01/76/994660176.db2.gz ZGBYYZOLARTPRN-JTQLQIEISA-N -1 3 413.396 3.687 20 0 HHADHM O=S(=O)([N-]c1c2c(ccc1Cl)OCC2)c1ccc(F)cc1Br ZINC000481863702 994724006 /nfs/dbraw/zinc/72/40/06/994724006.db2.gz IWTMXGPCHLCKLI-UHFFFAOYSA-N -1 3 406.660 3.977 20 0 HHADHM Cc1cccc(CCNC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)n1 ZINC000473815185 994741988 /nfs/dbraw/zinc/74/19/88/994741988.db2.gz YLSYHRWAKLLSAG-UHFFFAOYSA-N -1 3 420.694 3.620 20 0 HHADHM Cc1ccccc1COc1cccc(CC(=O)NCc2nc(C(F)(F)F)n[n-]2)c1 ZINC000481922046 994794347 /nfs/dbraw/zinc/79/43/47/994794347.db2.gz LSIKDNJSLMCATI-UHFFFAOYSA-N -1 3 404.392 3.570 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]CCCOCCOCc2ccccc2)sc1Cl ZINC000473942913 994918577 /nfs/dbraw/zinc/91/85/77/994918577.db2.gz YMUNRWMIMYMZJO-UHFFFAOYSA-N -1 3 403.953 3.612 20 0 HHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C ZINC000482015291 994924398 /nfs/dbraw/zinc/92/43/98/994924398.db2.gz JAFGHYNIYVWEDW-BBRMVZONSA-N -1 3 408.424 3.675 20 0 HHADHM COCCOc1ccc(Cl)cc1C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000482054009 994980620 /nfs/dbraw/zinc/98/06/20/994980620.db2.gz HSSSMCOBHIDCFE-UHFFFAOYSA-N -1 3 413.861 3.676 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H](c2ccccc2)C(F)F)c1 ZINC000482184766 995154067 /nfs/dbraw/zinc/15/40/67/995154067.db2.gz KHUPGBGDFSQWJB-KRWDZBQOSA-N -1 3 401.369 3.677 20 0 HHADHM Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000482210461 995193540 /nfs/dbraw/zinc/19/35/40/995193540.db2.gz LTXVNTWNZOILPP-UHFFFAOYSA-N -1 3 419.285 3.736 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)[C@@H](Oc1ccc(Cl)cc1)c1ccccc1 ZINC000482227185 995211247 /nfs/dbraw/zinc/21/12/47/995211247.db2.gz BZGKSONLWNVQGA-HNNXBMFYSA-N -1 3 410.783 3.913 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1ccc2noc(-c3ccc(F)cc3)c2c1 ZINC000482245703 995226487 /nfs/dbraw/zinc/22/64/87/995226487.db2.gz PAEOVAUTOCZDBA-UHFFFAOYSA-N -1 3 405.311 3.701 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)NCc1ccnc(OC2CCCC2)c1 ZINC000482277357 995255319 /nfs/dbraw/zinc/25/53/19/995255319.db2.gz USGJLSWSCQBCBZ-UHFFFAOYSA-N -1 3 420.307 3.871 20 0 HHADHM O=C(NCCc1cccc2cccnc21)NCc1ccc([O-])c(Br)c1 ZINC000482308086 995286508 /nfs/dbraw/zinc/28/65/08/995286508.db2.gz GMVAPDFDFXAUCJ-UHFFFAOYSA-N -1 3 400.276 3.745 20 0 HHADHM C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000482311988 995290517 /nfs/dbraw/zinc/29/05/17/995290517.db2.gz BFAVLVUJYRDOCI-OAHLLOKOSA-N -1 3 418.335 3.571 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000482353761 995333613 /nfs/dbraw/zinc/33/36/13/995333613.db2.gz WTQWDOPSLGZGPA-OAQYLSRUSA-N -1 3 420.488 3.966 20 0 HHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N1CC=C(c2c(F)cccc2F)CC1 ZINC000474424074 995387377 /nfs/dbraw/zinc/38/73/77/995387377.db2.gz FDHVJQZKSSKOCA-UHFFFAOYSA-N -1 3 410.424 3.759 20 0 HHADHM CCCC(=O)Nc1nc2ccc(NC(=O)c3c(C)[n-]c(=O)nc3SC)cc2s1 ZINC000474511680 995472493 /nfs/dbraw/zinc/47/24/93/995472493.db2.gz ILGVXIRWHNKINB-UHFFFAOYSA-N -1 3 417.516 3.813 20 0 HHADHM COc1ccc(CC[C@@H](C)NC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000482482768 995489611 /nfs/dbraw/zinc/48/96/11/995489611.db2.gz RQNHNATWTWWOTF-CYBMUJFWSA-N -1 3 407.308 3.984 20 0 HHADHM CCOc1c(Cl)cc(CNC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cc1OC ZINC000474533250 995500157 /nfs/dbraw/zinc/50/01/57/995500157.db2.gz HPZBJSGVWRUUTK-UHFFFAOYSA-N -1 3 407.898 3.779 20 0 HHADHM COc1ccc(C)cc1-c1csc(NC(=O)c2c(C)[n-]c(=O)nc2SC)n1 ZINC000482513661 995523597 /nfs/dbraw/zinc/52/35/97/995523597.db2.gz UTTPBUQYJNOCCQ-UHFFFAOYSA-N -1 3 402.501 3.905 20 0 HHADHM CO[C@@H](CNC(=O)NCc1ccc([O-])c(Br)c1)c1ccc(Cl)cc1 ZINC000482590604 995592790 /nfs/dbraw/zinc/59/27/90/995592790.db2.gz IMBWJKDAMRCGTD-INIZCTEOSA-N -1 3 413.699 3.995 20 0 HHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCc2c(Br)cccc2C1 ZINC000474650257 995595776 /nfs/dbraw/zinc/59/57/76/995595776.db2.gz KONYFYNZAALANB-UHFFFAOYSA-N -1 3 404.308 3.749 20 0 HHADHM C[C@@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1cc(F)c(Cl)cc1Cl ZINC000482619120 995615334 /nfs/dbraw/zinc/61/53/34/995615334.db2.gz JTRSCLAZFVYTKG-RXMQYKEDSA-N -1 3 400.163 3.830 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H]3CCSC3)ccc2C)cc1 ZINC000474671977 995615883 /nfs/dbraw/zinc/61/58/83/995615883.db2.gz XERIEPSYILBOBD-OAHLLOKOSA-N -1 3 420.556 3.886 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1cccc(NC(=O)C2CC2)c1 ZINC000482738892 995716387 /nfs/dbraw/zinc/71/63/87/995716387.db2.gz DZWXKZYLOSOHDJ-UHFFFAOYSA-N -1 3 404.264 3.825 20 0 HHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ncc(Cc2ccc(F)cc2F)s1 ZINC000474826893 995732429 /nfs/dbraw/zinc/73/24/29/995732429.db2.gz YJNAGUBLZUYLSF-UHFFFAOYSA-N -1 3 408.455 3.790 20 0 HHADHM COc1cc(NC(=O)NCc2ccc([O-])c(Br)c2)cc(OC)c1OC ZINC000482776716 995741440 /nfs/dbraw/zinc/74/14/40/995741440.db2.gz FHECRFQCBCWKSU-UHFFFAOYSA-N -1 3 411.252 3.502 20 0 HHADHM CC(C)n1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)n1 ZINC000482793699 995752312 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O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000483538155 996239019 /nfs/dbraw/zinc/23/90/19/996239019.db2.gz AQDBZGADPFLVNA-VIFPVBQESA-N -1 3 405.783 3.533 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000483546786 996243406 /nfs/dbraw/zinc/24/34/06/996243406.db2.gz SWNOHKQZFJAZTC-UHFFFAOYSA-N -1 3 407.318 3.717 20 0 HHADHM C[C@@H](CNC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1)C(F)(F)F ZINC000483634099 996298861 /nfs/dbraw/zinc/29/88/61/996298861.db2.gz HPNNSNZHJPHUCT-JTQLQIEISA-N -1 3 407.820 3.604 20 0 HHADHM CC(C)(C)c1csc(C[N-]S(=O)(=O)c2ccc(Br)cc2F)n1 ZINC000475801386 996379934 /nfs/dbraw/zinc/37/99/34/996379934.db2.gz PIDDLCQICOZIHR-UHFFFAOYSA-N -1 3 407.330 3.821 20 0 HHADHM Cc1c([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)cccc1NC(=O)N(C)C ZINC000475842106 996410073 /nfs/dbraw/zinc/41/00/73/996410073.db2.gz YRZQIQRNUZBVNP-UHFFFAOYSA-N -1 3 413.446 3.533 20 0 HHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)S[C@H](CC)C(=O)OCC)nc(=O)c2c1C ZINC000475970562 996506388 /nfs/dbraw/zinc/50/63/88/996506388.db2.gz DLQULGZXDVJQGC-GHMZBOCLSA-N -1 3 412.533 3.606 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](O)Cc3c(F)cccc3Cl)c2)n1 ZINC000476004088 996533289 /nfs/dbraw/zinc/53/32/89/996533289.db2.gz AFYOITCSWKFUOK-GOSISDBHSA-N -1 3 415.852 3.746 20 0 HHADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3nc(-c4ccccn4)[nH]c3c2)c(C)c1 ZINC000484118187 996579533 /nfs/dbraw/zinc/57/95/33/996579533.db2.gz REILTMXPEWQNEC-UHFFFAOYSA-N -1 3 422.466 3.521 20 0 HHADHM COc1cc(C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc(OC)c1[O-] ZINC000484185458 996623093 /nfs/dbraw/zinc/62/30/93/996623093.db2.gz GGNHMJAJJWLALJ-UHFFFAOYSA-N -1 3 403.862 3.798 20 0 HHADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3nc(-c4ccccn4)[nH]c3c2)cc1 ZINC000484197644 996630678 /nfs/dbraw/zinc/63/06/78/996630678.db2.gz DDDVZDJBLWOGEP-UHFFFAOYSA-N -1 3 422.466 3.602 20 0 HHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000476167541 996649366 /nfs/dbraw/zinc/64/93/66/996649366.db2.gz QOBYECNHGXVUJD-NSHDSACASA-N -1 3 400.303 3.681 20 0 HHADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000484243293 996654859 /nfs/dbraw/zinc/65/48/59/996654859.db2.gz JPVQBIHRSSBDJK-QGZVFWFLSA-N -1 3 412.392 3.555 20 0 HHADHM COC(=O)[C@](C)([N-]S(=O)(=O)Cc1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 ZINC000476180607 996660651 /nfs/dbraw/zinc/66/06/51/996660651.db2.gz WCOGOLKJGXYDNU-QGZVFWFLSA-N -1 3 420.289 3.640 20 0 HHADHM CC(=O)N[C@@H](CC(=O)Nc1ccc([O-])c(C(F)(F)F)c1)c1c(F)cccc1F ZINC000476183225 996662511 /nfs/dbraw/zinc/66/25/11/996662511.db2.gz WJBBXIJBGYNBCD-AWEZNQCLSA-N -1 3 402.319 3.895 20 0 HHADHM O=C1[C@H]([N-]S(=O)(=O)c2ccc(Cl)s2)CCN1c1ccccc1C(F)(F)F ZINC000476201156 996673588 /nfs/dbraw/zinc/67/35/88/996673588.db2.gz HMVHDASVCJCDOU-SNVBAGLBSA-N -1 3 424.853 3.504 20 0 HHADHM CN(C)c1nnc(-c2ccc([N-]S(=O)(=O)Cc3ccc(Cl)c(F)c3)cc2)o1 ZINC000476218115 996683973 /nfs/dbraw/zinc/68/39/73/996683973.db2.gz MBILLSKMKHJBIN-UHFFFAOYSA-N -1 3 410.858 3.537 20 0 HHADHM CC(C)(C)Oc1ccccc1NC(=O)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000484525153 996856325 /nfs/dbraw/zinc/85/63/25/996856325.db2.gz IIRQDRBVSVUQNZ-UHFFFAOYSA-N -1 3 421.291 3.587 20 0 HHADHM Cc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1ccc(O[C@@H]2CCOC2)cc1 ZINC000476424841 996892905 /nfs/dbraw/zinc/89/29/05/996892905.db2.gz SGMATPJVTSQETR-MRXNPFEDSA-N -1 3 401.406 3.982 20 0 HHADHM COC(=O)c1cnc(SCC(=O)N2N=C(c3ccc(C)cc3)C[C@@H]2c2ccco2)[n-]1 ZINC000484559930 996893266 /nfs/dbraw/zinc/89/32/66/996893266.db2.gz TYLNKOXIXXZCLP-QGZVFWFLSA-N -1 3 424.482 3.568 20 0 HHADHM O=c1nc(CN2CCO[C@@H](COc3ccccc3)C2)[n-]c2scc(-c3ccco3)c21 ZINC000484569224 996901972 /nfs/dbraw/zinc/90/19/72/996901972.db2.gz JZVKKNYTWUGIDY-MRXNPFEDSA-N -1 3 423.494 3.937 20 0 HHADHM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(O[C@H]3CCCC[C@H]3O)cc2)cc1C ZINC000484612836 996944914 /nfs/dbraw/zinc/94/49/14/996944914.db2.gz FMQGNTXPOVVKDN-UXHICEINSA-N -1 3 405.516 3.795 20 0 HHADHM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(O[C@H]3CCCC[C@@H]3O)cc2)cc1C ZINC000484612835 996945160 /nfs/dbraw/zinc/94/51/60/996945160.db2.gz FMQGNTXPOVVKDN-PMACEKPBSA-N -1 3 405.516 3.795 20 0 HHADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@@H](c2ccccc2)C2CCCC2)s1 ZINC000484763910 997105856 /nfs/dbraw/zinc/10/58/56/997105856.db2.gz OCRGUYVBDLXOKI-KRWDZBQOSA-N -1 3 409.529 3.753 20 0 HHADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]C(c2ccccc2)c2ccccc2)s1 ZINC000484780563 997127982 /nfs/dbraw/zinc/12/79/82/997127982.db2.gz YFRGCYHCIGASMW-UHFFFAOYSA-N -1 3 417.508 3.611 20 0 HHADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@H]2CCCC[C@H]2c2ccccc2)s1 ZINC000484786316 997134616 /nfs/dbraw/zinc/13/46/16/997134616.db2.gz GRBUKJZJOFDODV-GJZGRUSLSA-N -1 3 409.529 3.548 20 0 HHADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)C2CCC2)s1 ZINC000484787393 997136850 /nfs/dbraw/zinc/13/68/50/997136850.db2.gz IMBLWVOUFRPIMO-INIZCTEOSA-N -1 3 413.492 3.502 20 0 HHADHM Cc1ccccc1[C@@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)C(C)C ZINC000484789491 997139494 /nfs/dbraw/zinc/13/94/94/997139494.db2.gz UMOJUXUDLJFLLM-KRWDZBQOSA-N 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CC(C)(C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1ccc2c(c1)OCCO2 ZINC000485128098 997512090 /nfs/dbraw/zinc/51/20/90/997512090.db2.gz WOVAKHQWBKUCHW-UHFFFAOYSA-N -1 3 404.426 3.905 20 0 HHADHM CCOc1cc(Br)c(F)cc1NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000485155327 997538982 /nfs/dbraw/zinc/53/89/82/997538982.db2.gz WQSFPOGXMWLHDW-UHFFFAOYSA-N -1 3 412.259 3.671 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC4(CC3)OCCc3ccsc34)nc2)n1 ZINC000485164441 997546764 /nfs/dbraw/zinc/54/67/64/997546764.db2.gz CQSDSOAFYGVRRH-UHFFFAOYSA-N -1 3 408.527 3.937 20 0 HHADHM O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)N1CCc2nc[n-]c(=O)c2C1 ZINC000476981529 997602573 /nfs/dbraw/zinc/60/25/73/997602573.db2.gz ITRBMYNBBQHUEI-UHFFFAOYSA-N -1 3 419.268 3.662 20 0 HHADHM O=C(c1ccc(Oc2cccc(Cl)c2Cl)nc1)N1CCc2nc[n-]c(=O)c2C1 ZINC000476986043 997610644 /nfs/dbraw/zinc/61/06/44/997610644.db2.gz QOABVHDSDRTSEQ-UHFFFAOYSA-N -1 3 417.252 3.875 20 0 HHADHM Cc1oc2nc(CSc3nc4c(cnn4-c4ccccc4)c(=O)[n-]3)nc(N)c2c1C ZINC000477013059 997646019 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HHADHM O=S(=O)([N-][C@@H]1CCCC[C@H]1n1cccn1)c1cccc(Cl)c1Br ZINC000493882944 1000200995 /nfs/dbraw/zinc/20/09/95/1000200995.db2.gz KQYISOXJUFCQMJ-CHWSQXEVSA-N -1 3 418.744 3.761 20 0 HHADHM O=S(=O)([N-][C@H]1CCCC[C@H]1n1cccn1)c1cccc(Cl)c1Br ZINC000493882946 1000201006 /nfs/dbraw/zinc/20/10/06/1000201006.db2.gz KQYISOXJUFCQMJ-QWHCGFSZSA-N -1 3 418.744 3.761 20 0 HHADHM O=S(=O)([N-][C@@H]1CCCC[C@@H]1n1cccn1)c1cccc(Cl)c1Br ZINC000493882945 1000201051 /nfs/dbraw/zinc/20/10/51/1000201051.db2.gz KQYISOXJUFCQMJ-OLZOCXBDSA-N -1 3 418.744 3.761 20 0 HHADHM Cc1noc(C)c1[C@H](C)C[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493945641 1000230507 /nfs/dbraw/zinc/23/05/07/1000230507.db2.gz SNNMSFZWQBJBGV-MRVPVSSYSA-N -1 3 407.717 3.789 20 0 HHADHM O=S(=O)([N-]c1cc(-c2nnc3n2CCCCC3)ccc1Cl)c1cccnc1 ZINC000504519279 1000247411 /nfs/dbraw/zinc/24/74/11/1000247411.db2.gz TUBDJGYFAZNGOE-UHFFFAOYSA-N -1 3 403.895 3.521 20 0 HHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc(NC(=O)C(C)(C)C)ccc3F)nc21 ZINC000494130083 1000322529 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1012743841 /nfs/dbraw/zinc/74/38/41/1012743841.db2.gz RFZZBZWAQXQQSF-UHFFFAOYSA-N -1 3 411.414 3.757 20 0 HHADHM CC(C)n1cc([C@@H](C)NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cn1 ZINC000541880256 1012751307 /nfs/dbraw/zinc/75/13/07/1012751307.db2.gz HSYNSNIHYIVJDM-VGSWGCGISA-N -1 3 420.513 3.908 20 0 HHADHM CC1(CNC(=O)c2c[n-]c3ccc(I)cc3c2=O)CCCCC1 ZINC000552806973 1012811860 /nfs/dbraw/zinc/81/18/60/1012811860.db2.gz QQCQLLFWQBOIFL-UHFFFAOYSA-N -1 3 424.282 3.833 20 0 HHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000541983093 1012857427 /nfs/dbraw/zinc/85/74/27/1012857427.db2.gz KOKRIFFGBTXPNC-IBGZPJMESA-N -1 3 402.372 3.761 20 0 HHADHM CCCc1cnc(NC(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)s1 ZINC000537429928 1012917293 /nfs/dbraw/zinc/91/72/93/1012917293.db2.gz FMHUUJQGHGTUHL-UHFFFAOYSA-N -1 3 422.359 3.710 20 0 HHADHM CCN1CC[C@H](NC(=O)NCc2ccc([O-])c(F)c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542044862 1012948970 /nfs/dbraw/zinc/94/89/70/1012948970.db2.gz LRKSUNNTNAAJLJ-QFBILLFUSA-N -1 3 411.399 3.583 20 0 HHADHM Cc1cc([N-]S(=O)(=O)c2ccc(OCc3ccccc3)cc2)ccc1OCCO ZINC000542051218 1012960930 /nfs/dbraw/zinc/96/09/30/1012960930.db2.gz LEKBXSHSUFVHFS-UHFFFAOYSA-N -1 3 413.495 3.746 20 0 HHADHM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)Nc1ccc(O)cc1F ZINC000542099422 1013030621 /nfs/dbraw/zinc/03/06/21/1013030621.db2.gz YRVKPHXHVOJOHJ-UHFFFAOYSA-N -1 3 418.421 3.652 20 0 HHADHM CSCC[C@H]([N-]S(=O)(=O)c1ccccc1)c1nc(-c2ccccc2C)no1 ZINC000904565088 1071811282 /nfs/dbraw/zinc/81/12/82/1071811282.db2.gz OYHWNIWWJUPQNQ-KRWDZBQOSA-N -1 3 403.529 3.818 20 0 HHADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCN(c3ccccc3F)C2)sc1Br ZINC001212046165 1071930565 /nfs/dbraw/zinc/93/05/65/1071930565.db2.gz WNOBZGIBAUYNDQ-LLVKDONJSA-N -1 3 419.341 3.515 20 0 HHADHM Cc1cccc2c1OC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)C2 ZINC001212057583 1071940018 /nfs/dbraw/zinc/94/00/18/1071940018.db2.gz ZXBCOIBUYCBMAK-LBPRGKRZSA-N -1 3 416.724 3.693 20 0 HHADHM O=S(=O)([N-]CC1(C2CCC2)CCC1)c1ccc(I)s1 ZINC001212079740 1072064395 /nfs/dbraw/zinc/06/43/95/1072064395.db2.gz DQWUYQHCRSSTMN-UHFFFAOYSA-N -1 3 411.330 3.601 20 0 HHADHM CCOc1ccc(C[C@@H](C)C[N-]S(=O)(=O)c2cccnc2C(F)(F)F)cc1 ZINC001212082544 1072068377 /nfs/dbraw/zinc/06/83/77/1072068377.db2.gz HJFKYOOCANJHSM-CYBMUJFWSA-N -1 3 402.438 3.656 20 0 HHADHM N[C@@H](CCc1cc(=O)oc2cc([O-])ccc12)c1nc(-c2ccc(OC3CC3)cc2)no1 ZINC001212097889 1072075649 /nfs/dbraw/zinc/07/56/49/1072075649.db2.gz NWTOCABJLFXTHR-IBGZPJMESA-N -1 3 419.437 3.722 20 0 HHADHM CC[C@H](Cc1ccccc1)N(CC)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC001127031733 1072126594 /nfs/dbraw/zinc/12/65/94/1072126594.db2.gz LFPZSVBXBXVWHL-LJQANCHMSA-N -1 3 420.550 3.996 20 0 HHADHM C[C@H](CC(=O)N[C@H](c1ccccc1)C(C)(C)C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000760399175 1072321678 /nfs/dbraw/zinc/32/16/78/1072321678.db2.gz XPOQZFAGVCFFBB-RDTXWAMCSA-N -1 3 423.966 3.696 20 0 HHADHM C[C@@H](CC(=O)N[C@H](c1ccccc1)C(C)(C)C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000760399029 1072322046 /nfs/dbraw/zinc/32/20/46/1072322046.db2.gz XPOQZFAGVCFFBB-KBXCAEBGSA-N -1 3 423.966 3.696 20 0 HHADHM Cc1n[nH]c(C)c1[C@H](C)[N-]S(=O)(=O)c1c(Cl)cc(C)cc1Br ZINC001212105756 1072373037 /nfs/dbraw/zinc/37/30/37/1072373037.db2.gz WCMAVKBUELBULO-JTQLQIEISA-N -1 3 406.733 3.790 20 0 HHADHM Cc1nc2ccc(NC(=O)c3c(F)ccc(S(=O)(=O)[N-]C4CC4)c3F)cc2s1 ZINC000729833401 1072369400 /nfs/dbraw/zinc/36/94/00/1072369400.db2.gz HISYEPIKVWBGHO-UHFFFAOYSA-N -1 3 423.466 3.576 20 0 HHADHM CC[C@@H](c1ccccc1)N(CC)C(=O)C[C@@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000760478196 1072386520 /nfs/dbraw/zinc/38/65/20/1072386520.db2.gz ISYKMLPXDOBBNT-WBVHZDCISA-N -1 3 423.966 3.792 20 0 HHADHM COC(=O)c1cc(C)c([N-]S(=O)(=O)c2ccc(Cl)cc2OC)c(Cl)c1 ZINC000586755570 1072418878 /nfs/dbraw/zinc/41/88/78/1072418878.db2.gz BXAXIJJZSXUYLZ-UHFFFAOYSA-N -1 3 404.271 3.898 20 0 HHADHM O=C(O[C@H]1CCCN(Cc2ccccc2)C1=O)c1cccc(Br)c1[O-] ZINC000760513921 1072469237 /nfs/dbraw/zinc/46/92/37/1072469237.db2.gz FCVASHCZGPVILF-INIZCTEOSA-N -1 3 404.260 3.503 20 0 HHADHM O=C(Nc1c([O-])cccc1Cl)c1cccc(S(=O)(=O)NCc2cccs2)c1 ZINC000571070553 1072551786 /nfs/dbraw/zinc/55/17/86/1072551786.db2.gz XRNGWMBRYUKOAM-UHFFFAOYSA-N -1 3 422.915 3.838 20 0 HHADHM CC[C@H](C)N(Cc1ccccc1)C(=O)C[C@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000760537613 1072562333 /nfs/dbraw/zinc/56/23/33/1072562333.db2.gz JPDIVAMBMLVYPM-HOTGVXAUSA-N -1 3 423.966 3.619 20 0 HHADHM CC[C@@H](C)N(Cc1ccccc1)C(=O)C[C@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000760537617 1072562443 /nfs/dbraw/zinc/56/24/43/1072562443.db2.gz JPDIVAMBMLVYPM-JKSUJKDBSA-N -1 3 423.966 3.619 20 0 HHADHM COc1cc(OC)cc(S(=O)(=O)[N-]c2cc(C)c(Br)cc2F)c1 ZINC000571595599 1072674021 /nfs/dbraw/zinc/67/40/21/1072674021.db2.gz BWRVADPPLQUJEE-UHFFFAOYSA-N -1 3 404.257 3.715 20 0 HHADHM CCC[C@H](C)N1Cc2cccc([N-]S(=O)(=O)c3cccc(C(=O)N(C)C)c3)c2C1 ZINC000479141304 1072762951 /nfs/dbraw/zinc/76/29/51/1072762951.db2.gz ZQODHIRVQNFQRF-INIZCTEOSA-N -1 3 415.559 3.693 20 0 HHADHM CS(=O)(=O)Cc1c2ccccc2oc1C(=O)Nc1ccc(Br)cc1[O-] ZINC000588084485 1072787622 /nfs/dbraw/zinc/78/76/22/1072787622.db2.gz WLCUBBJCYSRLQG-UHFFFAOYSA-N -1 3 424.272 3.698 20 0 HHADHM CC(C)(C)[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2Cl)CCO1 ZINC000479392766 1072804531 /nfs/dbraw/zinc/80/45/31/1072804531.db2.gz PPHXZKLOSMVCAH-SMDDNHRTSA-N -1 3 410.761 3.975 20 0 HHADHM CN1CC[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)[C@H]1c1ccc(F)c(F)c1 ZINC000479412015 1072836329 /nfs/dbraw/zinc/83/63/29/1072836329.db2.gz AEJRAMGGAZNKIT-HZPDHXFCSA-N -1 3 421.296 3.995 20 0 HHADHM O=S(=O)([N-][C@H](c1ccccc1)[C@H]1CCCO1)c1ccc(Br)s1 ZINC000588170833 1072877855 /nfs/dbraw/zinc/87/78/55/1072877855.db2.gz JHBPQQYIIHEHCU-IUODEOHRSA-N -1 3 402.335 3.709 20 0 HHADHM C[S@@](=O)Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2Br)c1 ZINC000567359543 1072882817 /nfs/dbraw/zinc/88/28/17/1072882817.db2.gz YXGLIBUBFZUDHN-OAQYLSRUSA-N -1 3 422.753 3.782 20 0 HHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)c1 ZINC000588219310 1072919913 /nfs/dbraw/zinc/91/99/13/1072919913.db2.gz HNMSRXFEZHCQAJ-HNNXBMFYSA-N -1 3 424.432 3.560 20 0 HHADHM O=C(NCc1ccc([O-])c(F)c1)C(=O)Nc1ccc2nc(-c3ccc(F)cc3)oc2c1 ZINC000554931373 1072965195 /nfs/dbraw/zinc/96/51/95/1072965195.db2.gz XRCHDYMMVUQIQX-UHFFFAOYSA-N -1 3 423.375 3.734 20 0 HHADHM O=S(=O)([N-]c1ccc(Br)cc1F)c1cc2c(cc1Cl)OCCO2 ZINC000588627480 1073068223 /nfs/dbraw/zinc/06/82/23/1073068223.db2.gz URXYUCATABCLRO-UHFFFAOYSA-N -1 3 422.659 3.814 20 0 HHADHM CCOc1ccc([C@@H](C)[N-]S(=O)(=O)c2c(F)cc(OC)cc2F)cc1OCC ZINC000588675554 1073159444 /nfs/dbraw/zinc/15/94/44/1073159444.db2.gz VGBWFCWNHUTOOI-GFCCVEGCSA-N -1 3 415.458 3.810 20 0 HHADHM Cc1nc(C2([N-]S(=O)(=O)Cc3ccccc3C(F)(F)F)CCCCC2)no1 ZINC000588756277 1073215711 /nfs/dbraw/zinc/21/57/11/1073215711.db2.gz QWQNCKKHNCQCAF-UHFFFAOYSA-N -1 3 403.426 3.676 20 0 HHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1ccc2c(c1)nc1n2CCCCC1 ZINC000588839664 1073300339 /nfs/dbraw/zinc/30/03/39/1073300339.db2.gz GUAHOHWHKIOQNS-UHFFFAOYSA-N -1 3 416.485 3.880 20 0 HHADHM O=C(CS[C@@H](c1ccccc1)c1ccc(Cl)cc1)NCCCc1cc(=O)[nH][n-]1 ZINC000588876156 1073323000 /nfs/dbraw/zinc/32/30/00/1073323000.db2.gz YTANZTKMGIGNMB-NRFANRHFSA-N -1 3 415.946 3.935 20 0 HHADHM C[C@@H](c1ccccc1F)N1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)s2)C1=O ZINC000555404530 1073414758 /nfs/dbraw/zinc/41/47/58/1073414758.db2.gz HWSXXMOWKCGOOR-SMDDNHRTSA-N -1 3 416.927 3.571 20 0 HHADHM CCCCN([C@H]1CCC[C@@H](C)C1)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000555423996 1073448964 /nfs/dbraw/zinc/44/89/64/1073448964.db2.gz DUYTZKHKJZZBIG-CABCVRRESA-N -1 3 420.572 3.567 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)N3CCN(C(=O)c4ccccc4[O-])CC3)cc2)oc1C ZINC000590075335 1073513641 /nfs/dbraw/zinc/51/36/41/1073513641.db2.gz OXOBYYOTLYREPU-UHFFFAOYSA-N -1 3 420.469 3.654 20 0 HHADHM CCC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000590082205 1073519245 /nfs/dbraw/zinc/51/92/45/1073519245.db2.gz UFCFWWHHHJEJIJ-KRWDZBQOSA-N -1 3 419.547 3.990 20 0 HHADHM CC(C)CCN(CCC(C)C)S(=O)(=O)[N-][C@H](c1nc(C2CC2)no1)C(C)C ZINC000590070031 1073544901 /nfs/dbraw/zinc/54/49/01/1073544901.db2.gz QESTVKFAQDDKLV-KRWDZBQOSA-N -1 3 400.589 3.873 20 0 HHADHM Cc1nc(-c2ccc(Br)cc2)c(NC(=O)c2cccc3n[n-]nc32)n1C ZINC000555511364 1073577363 /nfs/dbraw/zinc/57/73/63/1073577363.db2.gz CPLHOVHHCKHGAC-UHFFFAOYSA-N -1 3 411.263 3.682 20 0 HHADHM Cc1ccc(CN(C)C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)s1 ZINC000590284716 1073704614 /nfs/dbraw/zinc/70/46/14/1073704614.db2.gz SNZDJBJTXHEIKP-UHFFFAOYSA-N -1 3 407.492 3.597 20 0 HHADHM COc1ccc2cc(/C=C/C(=O)N3CCN(C(=O)c4ccccc4[O-])CC3)ccc2c1 ZINC000760770782 1073708900 /nfs/dbraw/zinc/70/89/00/1073708900.db2.gz GWKKGCIEBUXVBS-YRNVUSSQSA-N -1 3 416.477 3.552 20 0 HHADHM CC(C)[C@@](C)(Cc1ccc(Cl)cc1)NCC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000555673081 1073718192 /nfs/dbraw/zinc/71/81/92/1073718192.db2.gz YATIPSHZLTXNOQ-HXUWFJFHSA-N -1 3 405.951 3.909 20 0 HHADHM CSc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)cn1 ZINC000555728242 1073777517 /nfs/dbraw/zinc/77/75/17/1073777517.db2.gz ZJRDLNGBXGOYGC-UHFFFAOYSA-N -1 3 417.487 3.996 20 0 HHADHM CC[C@H]1CN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)ccc2C)C[C@@H](C)O1 ZINC000600454300 1073903719 /nfs/dbraw/zinc/90/37/19/1073903719.db2.gz GHHAMCXFDGTZNI-MJGOQNOKSA-N -1 3 416.543 3.744 20 0 HHADHM COc1cccc2c1OC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C2 ZINC000590611425 1073939473 /nfs/dbraw/zinc/93/94/73/1073939473.db2.gz YYRXULIZARAYSE-LBPRGKRZSA-N -1 3 421.824 3.649 20 0 HHADHM O=S(=O)(Cc1c(F)cccc1F)[N-]c1cccc(-c2cn3cccnc3n2)c1 ZINC000556040284 1074061337 /nfs/dbraw/zinc/06/13/37/1074061337.db2.gz QOVKEUVGRAGHBR-UHFFFAOYSA-N -1 3 400.410 3.616 20 0 HHADHM CC(C)(C)OC(=O)NCc1ncc(C(=O)[N-]c2c(Cl)cncc2Cl)s1 ZINC001126923848 1074079848 /nfs/dbraw/zinc/07/98/48/1074079848.db2.gz LYTSBHVNGVOVQH-UHFFFAOYSA-N -1 3 403.291 3.544 20 0 HHADHM CCC[C@@H]([N-]S(=O)(=O)N=[S@@](C)(=O)c1cccc(Br)c1)C1CCC1 ZINC001212126429 1074127294 /nfs/dbraw/zinc/12/72/94/1074127294.db2.gz 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O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)OCc1ccc([N+](=O)[O-])cc1 ZINC000058786249 965898961 /nfs/dbraw/zinc/89/89/61/965898961.db2.gz JTADKVFEOVMYEL-OAQYLSRUSA-N -1 3 420.421 3.905 20 0 HHADHM COC(=O)c1ccoc1CSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1 ZINC000055544683 965907965 /nfs/dbraw/zinc/90/79/65/965907965.db2.gz HWWUSMCVZVGBCC-UHFFFAOYSA-N -1 3 416.846 3.846 20 0 HHADHM O=S(=O)([N-][C@@H](CO)c1cccc(Cl)c1F)c1csc(-c2ccccc2)n1 ZINC000542690654 1013609790 /nfs/dbraw/zinc/60/97/90/1013609790.db2.gz NRDJMLMGGQLEIC-AWEZNQCLSA-N -1 3 412.895 3.615 20 0 HHADHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3CCOCC3)c2)c(C)c1C ZINC000055620071 965967493 /nfs/dbraw/zinc/96/74/93/965967493.db2.gz NMVIWRSUIKQSMC-UHFFFAOYSA-N -1 3 416.543 3.502 20 0 HHADHM O=C(OCc1ccccc1C(F)(F)F)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000031277753 965967499 /nfs/dbraw/zinc/96/74/99/965967499.db2.gz WBPYSGWJMKZGAF-UHFFFAOYSA-N -1 3 417.380 3.642 20 0 HHADHM COc1cccc(Oc2ccc([N-]S(=O)(=O)c3ccc(C)c(C(N)=O)c3)cc2)c1 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HHADHM COc1ccc(S(=O)(=O)[N-][C@@H](C(C)(C)C)C(F)(F)F)cc1Br ZINC000542756648 1013663510 /nfs/dbraw/zinc/66/35/10/1013663510.db2.gz XJQZXXCCWVFCNG-NSHDSACASA-N -1 3 404.248 3.713 20 0 HHADHM O=S(=O)([N-]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)c1c(F)cccc1OC(F)(F)F ZINC000553865822 1013665117 /nfs/dbraw/zinc/66/51/17/1013665117.db2.gz AIBAVXOVADKPOB-ZENOOKHLSA-N -1 3 401.381 3.589 20 0 HHADHM O=c1nc(Cn2ncc(Cl)c(Cl)c2=O)[n-]c2scc(-c3ccccc3)c21 ZINC000041864277 966654194 /nfs/dbraw/zinc/65/41/94/966654194.db2.gz AZNPMZOQIDTMMS-UHFFFAOYSA-N -1 3 405.266 3.563 20 0 HHADHM COc1ccc([C@H](C)NC(=O)c2c[n-]c3ccccc3c2=O)cc1Br ZINC000042023196 966690927 /nfs/dbraw/zinc/69/09/27/966690927.db2.gz BOLRNZODINJAOH-NSHDSACASA-N -1 3 401.260 3.790 20 0 HHADHM CN(Cc1ccccc1O)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000042117030 966722279 /nfs/dbraw/zinc/72/22/79/966722279.db2.gz PQPCGLHNPOTXQK-UHFFFAOYSA-N -1 3 414.458 3.604 20 0 HHADHM C[C@@H](NC(=O)CNC(=O)c1ccc([O-])cc1)c1ccccc1OCc1ccccc1 ZINC000538103054 1013671143 /nfs/dbraw/zinc/67/11/43/1013671143.db2.gz SWAVLOYROASLQC-QGZVFWFLSA-N -1 3 404.466 3.578 20 0 HHADHM CCOc1cccc([C@H](C)NC(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)c1 ZINC000063320830 966817291 /nfs/dbraw/zinc/81/72/91/966817291.db2.gz HXTZIAZQVCJWRK-AWEZNQCLSA-N -1 3 421.519 3.738 20 0 HHADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000542797177 1013684692 /nfs/dbraw/zinc/68/46/92/1013684692.db2.gz RFGRHZCPRJUERK-KOLCDFICSA-N -1 3 418.284 3.792 20 0 HHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H](C)c2ccc(Cl)cn2)cc1Cl ZINC000553891964 1013679589 /nfs/dbraw/zinc/67/95/89/1013679589.db2.gz PRAOMUUCORERNS-QMMMGPOBSA-N -1 3 406.266 3.525 20 0 HHADHM O=C(NNC(=O)c1ccccc1[O-])N[C@H](Cc1ccccc1Cl)c1ccccc1 ZINC000063406202 966846795 /nfs/dbraw/zinc/84/67/95/966846795.db2.gz GIPDQSWZILPLIX-LJQANCHMSA-N -1 3 409.873 3.974 20 0 HHADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccnc(C)n3)c2)cc1 ZINC000063442837 966859609 /nfs/dbraw/zinc/85/96/09/966859609.db2.gz MUHQZYICENKHJV-UHFFFAOYSA-N 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CCOc1ccc(C(=O)CCC(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)cc1 ZINC000064374473 967160202 /nfs/dbraw/zinc/16/02/02/967160202.db2.gz WMJQSINELVKIPJ-UHFFFAOYSA-N -1 3 405.454 3.746 20 0 HHADHM COc1ccc(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)cc1OC(F)F ZINC000064446901 967192748 /nfs/dbraw/zinc/19/27/48/967192748.db2.gz JXWQWYKRZKVIOY-UHFFFAOYSA-N -1 3 401.369 3.608 20 0 HHADHM Cc1noc(C(C)C)c1C(=O)[N-]c1ncn(Cc2ccc(Br)cc2)n1 ZINC000064463926 967198307 /nfs/dbraw/zinc/19/83/07/967198307.db2.gz LZEJJIMROXCKMS-UHFFFAOYSA-N -1 3 404.268 3.761 20 0 HHADHM Cn1nc(C([O-])=C(C#N)c2nc(-c3c(F)cccc3F)cs2)c2ccccc2c1=O ZINC000064714938 967274481 /nfs/dbraw/zinc/27/44/81/967274481.db2.gz PUTAZZXCRHTJAL-ZDUSSCGKSA-N -1 3 422.416 3.825 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C1CCC(c2ccc(F)cc2)CC1 ZINC000542852173 1013710914 /nfs/dbraw/zinc/71/09/14/1013710914.db2.gz TZCAZLDDAGKGFN-UHFFFAOYSA-N -1 3 409.454 3.756 20 0 HHADHM CN(Cc1cccc(Cl)c1Cl)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000044840421 967300786 /nfs/dbraw/zinc/30/07/86/967300786.db2.gz RHCXHFRIGSXEAN-INIZCTEOSA-N -1 3 407.297 3.962 20 0 HHADHM O=C(NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1cc(=O)c2ccccc2[n-]1 ZINC000065213387 967407935 /nfs/dbraw/zinc/40/79/35/967407935.db2.gz UJZAIYVKVRDIQV-UHFFFAOYSA-N -1 3 412.371 3.663 20 0 HHADHM Cc1ccc(C(=O)NC2CCN(Cc3nc4c5ccccc5oc4c(=O)[n-]3)CC2)s1 ZINC000065262004 967419272 /nfs/dbraw/zinc/41/92/72/967419272.db2.gz RFUCSQCFXSYSMK-UHFFFAOYSA-N -1 3 422.510 3.846 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCC[C@@H]1c1ccccc1Cl ZINC000065505903 967497777 /nfs/dbraw/zinc/49/77/77/967497777.db2.gz FTTUIEXXLREDFP-LJQANCHMSA-N -1 3 408.889 3.700 20 0 HHADHM CCOC1CC(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccc(OC)cc3)c2)C1 ZINC000553965890 1013727636 /nfs/dbraw/zinc/72/76/36/1013727636.db2.gz CZOUMSMNYQUSKR-UHFFFAOYSA-N -1 3 418.515 3.558 20 0 HHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000553983788 1013736638 /nfs/dbraw/zinc/73/66/38/1013736638.db2.gz KEWOQBHSKNBQHA-DLBZAZTESA-N -1 3 416.510 3.843 20 0 HHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000553983788 1013736644 /nfs/dbraw/zinc/73/66/44/1013736644.db2.gz KEWOQBHSKNBQHA-DLBZAZTESA-N -1 3 416.510 3.843 20 0 HHADHM Cc1ccc(-c2nc(COC(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])cs2)o1 ZINC000046332619 967745986 /nfs/dbraw/zinc/74/59/86/967745986.db2.gz NMJOHBKBUZYBPX-INIZCTEOSA-N -1 3 412.467 3.765 20 0 HHADHM COc1cc[n-]c(=NNC(=O)c2cn(-c3ccc(F)cc3)nc2-c2cccc(C)c2)n1 ZINC000046364184 967765890 /nfs/dbraw/zinc/76/58/90/967765890.db2.gz NUOYURRRQJNAOU-UHFFFAOYSA-N -1 3 418.432 3.542 20 0 HHADHM Cc1cc(CC(C)(C)NC(=O)Cc2c(C)nc(C)[n-]c2=O)ccc1Br ZINC000554009222 1013751261 /nfs/dbraw/zinc/75/12/61/1013751261.db2.gz WGFDRZBQUYEBTC-UHFFFAOYSA-N -1 3 406.324 3.550 20 0 HHADHM CC(C)c1noc2nc(C3CC3)cc(C(=O)N[N-]C(=O)c3ccc4ccccc4n3)c21 ZINC000046572083 967863662 /nfs/dbraw/zinc/86/36/62/967863662.db2.gz MCRXTPPQZICMHD-UHFFFAOYSA-N -1 3 415.453 3.847 20 0 HHADHM COc1cccc([C@H](C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)N(C)C)c1 ZINC000047032868 968035143 /nfs/dbraw/zinc/03/51/43/968035143.db2.gz FENNBPVZICIVGT-INIZCTEOSA-N -1 3 403.331 3.583 20 0 HHADHM CSc1ccc([C@@H](C)NC(=O)N[N-]C(=O)c2ccccc2Br)cc1 ZINC000047054978 968043067 /nfs/dbraw/zinc/04/30/67/968043067.db2.gz DWJRZKCJUXPCSE-LLVKDONJSA-N -1 3 408.321 3.876 20 0 HHADHM COC(=O)CCc1nnc([N-]C(=O)c2oc3c(cccc3Br)c2C)s1 ZINC000542931233 1013766523 /nfs/dbraw/zinc/76/65/23/1013766523.db2.gz BRWMNGIMQHIRNL-UHFFFAOYSA-N -1 3 424.276 3.713 20 0 HHADHM Cc1ccc(-c2csc([N-]C(=O)c3ccc(S(=O)(=O)N(C)C)o3)n2)cc1C ZINC000047440905 968192076 /nfs/dbraw/zinc/19/20/76/968192076.db2.gz PAEQMQZUNYKAOW-UHFFFAOYSA-N -1 3 405.501 3.523 20 0 HHADHM CCOCCCNC(=S)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000047582587 968246467 /nfs/dbraw/zinc/24/64/67/968246467.db2.gz YVAVUVSYEBECIR-UHFFFAOYSA-N -1 3 407.561 3.509 20 0 HHADHM C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])c1cccc(C(F)(F)F)c1 ZINC000048016546 968391417 /nfs/dbraw/zinc/39/14/17/968391417.db2.gz JKPSUSOPMUQQQW-GUYCJALGSA-N -1 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COc1ccc([C@H](CC(=O)[O-])NCc2cc(Cl)c3c(c2)OCCCO3)cc1OC ZINC000426794129 974665202 /nfs/dbraw/zinc/66/52/02/974665202.db2.gz SUFKCIAGRKCGIU-INIZCTEOSA-N -1 3 421.877 3.824 20 0 HHADHM O=C([O-])[C@H](NCc1ccc(OC[C@H]2CCCO2)cc1)c1ccc(Br)cc1 ZINC000426805128 974673497 /nfs/dbraw/zinc/67/34/97/974673497.db2.gz ZDCDQKXTHOGVKW-RTBURBONSA-N -1 3 420.303 3.922 20 0 HHADHM COc1cc(CN[C@@H](CC(=O)[O-])c2cccc(Br)c2)cc2c1OCCO2 ZINC000426810844 974677173 /nfs/dbraw/zinc/67/71/73/974677173.db2.gz QOFUOXDTABHKCU-HNNXBMFYSA-N -1 3 422.275 3.535 20 0 HHADHM COc1cc(CN[C@H](CC(=O)[O-])c2cccc(Br)c2)cc2c1OCCO2 ZINC000426810845 974677385 /nfs/dbraw/zinc/67/73/85/974677385.db2.gz QOFUOXDTABHKCU-OAHLLOKOSA-N -1 3 422.275 3.535 20 0 HHADHM CC(C)(C(=O)NCc1ccc([O-])c(Br)c1)c1ccc2c(c1)OCCO2 ZINC000427111157 974912207 /nfs/dbraw/zinc/91/22/07/974912207.db2.gz PZLJXUXJFZHPCH-UHFFFAOYSA-N -1 3 406.276 3.520 20 0 HHADHM Cc1nc2ccc(S(=O)(=O)[N-]c3cccc4c3OCC[C@H]4N(C)C)cc2s1 ZINC000427306142 975040093 /nfs/dbraw/zinc/04/00/93/975040093.db2.gz ZQXRUYPQNGBORK-QGZVFWFLSA-N -1 3 403.529 3.791 20 0 HHADHM Cc1cscc1CNC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000427594400 975205328 /nfs/dbraw/zinc/20/53/28/975205328.db2.gz QALDTAFAXKEMPM-UHFFFAOYSA-N -1 3 401.513 3.638 20 0 HHADHM COCc1ccccc1S(=O)(=O)[N-]c1ccnc(N2CCc3ccccc3C2)c1 ZINC000427643041 975222064 /nfs/dbraw/zinc/22/20/64/975222064.db2.gz WCIGTUWYJHDMCA-UHFFFAOYSA-N -1 3 409.511 3.592 20 0 HHADHM COCCC1(C[N-]S(=O)(=O)c2ccc(Br)cc2C(F)(F)F)CC1 ZINC000427799288 975295927 /nfs/dbraw/zinc/29/59/27/975295927.db2.gz DWKWWDOEJSSWLX-UHFFFAOYSA-N -1 3 416.259 3.563 20 0 HHADHM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1cnn(Cc2ccccc2)c1)c1ccco1 ZINC000427803457 975298594 /nfs/dbraw/zinc/29/85/94/975298594.db2.gz MBPNRFISCHSJBK-JOCHJYFZSA-N -1 3 423.494 3.601 20 0 HHADHM COc1ccccc1-c1noc([C@@H](C)[N-]S(=O)(=O)C[C@@H](C)c2ccccc2)n1 ZINC000427836744 975314601 /nfs/dbraw/zinc/31/46/01/975314601.db2.gz OZLKSGDZCXIWMW-HUUCEWRRSA-N -1 3 401.488 3.529 20 0 HHADHM COc1cccc(-c2noc([C@@H](C)[N-]S(=O)(=O)C[C@H](C)c3ccccc3)n2)c1 ZINC000427837799 975315282 /nfs/dbraw/zinc/31/52/82/975315282.db2.gz QWZNWVHZUXFNKR-LSDHHAIUSA-N -1 3 401.488 3.529 20 0 HHADHM CC(C)COC[C@H]([N-]S(=O)(=O)c1ccc2c(cnn2C(C)C)c1)c1ccco1 ZINC000427847272 975319631 /nfs/dbraw/zinc/31/96/31/975319631.db2.gz UWSQGLSWPNTFCX-SFHVURJKSA-N -1 3 405.520 3.902 20 0 HHADHM C[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)CCS1 ZINC000427918797 975349578 /nfs/dbraw/zinc/34/95/78/975349578.db2.gz ZIMMIXZOUDSLGW-CQSZACIVSA-N -1 3 408.520 3.594 20 0 HHADHM C[C@@H](CCCC(F)(F)F)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000427964994 975368758 /nfs/dbraw/zinc/36/87/58/975368758.db2.gz AGVGZDVPAVLFDB-NSHDSACASA-N -1 3 421.416 3.806 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CC[C@@H]4CCC[C@H]43)c2)cc1 ZINC000428538236 975837788 /nfs/dbraw/zinc/83/77/88/975837788.db2.gz WXGUONMXOMXASP-HRAATJIYSA-N -1 3 414.527 3.819 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC(Cc4cc(OC)cc(OC)c4)C3)nc2)n1 ZINC000428694006 975984660 /nfs/dbraw/zinc/98/46/60/975984660.db2.gz AIDOGLOYEJOJOS-UHFFFAOYSA-N -1 3 406.486 3.503 20 0 HHADHM CC(C)CC(=O)N[C@H](C(=O)NCc1ccc([O-])c(Br)c1)c1ccccc1 ZINC000428865017 976155680 /nfs/dbraw/zinc/15/56/80/976155680.db2.gz FPTDYUMYRJRDEV-IBGZPJMESA-N -1 3 419.319 3.675 20 0 HHADHM Cc1noc(C)c1C[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429815482 977088878 /nfs/dbraw/zinc/08/88/78/977088878.db2.gz RXJGJSQZTDDLQY-QMMMGPOBSA-N -1 3 407.717 3.617 20 0 HHADHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)[C@@H]1COc2ccccc21 ZINC000429834767 977105279 /nfs/dbraw/zinc/10/52/79/977105279.db2.gz XRGKPLKUOVPZRZ-MFKMUULPSA-N -1 3 416.724 3.946 20 0 HHADHM O=S(=O)([N-]CC1(CCO)CCCCC1)c1cc(Cl)ccc1Br ZINC000429865193 977137382 /nfs/dbraw/zinc/13/73/82/977137382.db2.gz GPZGUMDPSNMUEM-UHFFFAOYSA-N -1 3 410.761 3.714 20 0 HHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccccc1Br)c1cnccc1C(F)(F)F ZINC000430016762 977273676 /nfs/dbraw/zinc/27/36/76/977273676.db2.gz HBEGEGNIDBNVSA-GXFFZTMASA-N -1 3 421.238 3.697 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)NC[C@H](CO)Cc1ccccc1Br ZINC000430125915 977333558 /nfs/dbraw/zinc/33/35/58/977333558.db2.gz UNNSEBCIXONKRJ-OAHLLOKOSA-N -1 3 424.310 3.584 20 0 HHADHM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(Cl)c(CN3CCOCC3)c2)cc1C ZINC000430359414 977500938 /nfs/dbraw/zinc/50/09/38/977500938.db2.gz VWHIJROEHMBCPH-UHFFFAOYSA-N -1 3 424.950 3.598 20 0 HHADHM C[C@]1(CNC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)CCCS1 ZINC000430612677 977654995 /nfs/dbraw/zinc/65/49/95/977654995.db2.gz SYPFVCOWHCHZJL-MRXNPFEDSA-N -1 3 415.740 3.960 20 0 HHADHM Cn1cc(NC(=O)c2c[n-]c3ccc(Oc4ccccc4)cc3c2=O)cc(Cl)c1=O ZINC000430629365 977661120 /nfs/dbraw/zinc/66/11/20/977661120.db2.gz QAEOMDCAVHEFSK-UHFFFAOYSA-N -1 3 421.840 3.925 20 0 HHADHM Cc1nc(-c2ccc(N3C(=O)CN(Cc4ccc(Cl)cc4)C3=O)cc2)cc(=O)[n-]1 ZINC000430928244 977893696 /nfs/dbraw/zinc/89/36/96/977893696.db2.gz KXRNDARKEAGURC-UHFFFAOYSA-N -1 3 408.845 3.780 20 0 HHADHM Cc1nc(-c2ccc(N3C(=O)N[C@@H](Cc4cccc5ccccc54)C3=O)cc2)cc(=O)[n-]1 ZINC000430939863 977902985 /nfs/dbraw/zinc/90/29/85/977902985.db2.gz IBULFFCMNPHYAS-QFIPXVFZSA-N -1 3 424.460 3.978 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2sc(C)cc2C)c(I)c1 ZINC000431155795 978056859 /nfs/dbraw/zinc/05/68/59/978056859.db2.gz BTNRHKYETNGMND-UHFFFAOYSA-N -1 3 423.297 3.779 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]C[C@@H](C[C@@H](C)O)c2ccccc2)sc1Br ZINC000431282398 978168355 /nfs/dbraw/zinc/16/83/55/978168355.db2.gz JZMGKEOVEAJNGM-TZMCWYRMSA-N -1 3 418.378 3.652 20 0 HHADHM COC(=O)c1ccc(C(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)[n-]1 ZINC000431392507 978266780 /nfs/dbraw/zinc/26/67/80/978266780.db2.gz OJAMUZAGBSHTQZ-UHFFFAOYSA-N -1 3 403.866 3.770 20 0 HHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)c1ncc(Br)cn1 ZINC000431613615 978385231 /nfs/dbraw/zinc/38/52/31/978385231.db2.gz HTWLGRLECSURBD-SSDOTTSWSA-N -1 3 411.108 3.585 20 0 HHADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)CCC3=O)c(Cl)c1 ZINC000432071506 978669062 /nfs/dbraw/zinc/66/90/62/978669062.db2.gz JRVTWNOVSDFILL-UHFFFAOYSA-N -1 3 414.266 3.710 20 0 HHADHM COc1cccc(-c2noc([C@H](C)[N-]S(=O)(=O)CC34CCC(CC3)CC4)n2)c1 ZINC000432222810 978720583 /nfs/dbraw/zinc/72/05/83/978720583.db2.gz JAJLSTFVFSNKAJ-BQTBQCLESA-N -1 3 405.520 3.696 20 0 HHADHM COc1ccccc1-c1noc([C@@H](C)[N-]S(=O)(=O)CC23CCC(CC2)CC3)n1 ZINC000432223668 978721224 /nfs/dbraw/zinc/72/12/24/978721224.db2.gz QLTYIBLCANFWEA-ZUIJCZDSSA-N -1 3 405.520 3.696 20 0 HHADHM Cc1nc([C@](C)([N-]S(=O)(=O)c2ccc(OCC3CCCCC3)cc2)C2CC2)no1 ZINC000432286439 978744862 /nfs/dbraw/zinc/74/48/62/978744862.db2.gz OANLMKJWWDCFOF-OAQYLSRUSA-N -1 3 419.547 3.941 20 0 HHADHM CN(C)[C@@H]1CCOc2c([N-]S(=O)(=O)c3ccccc3Br)cccc21 ZINC000432478672 978836753 /nfs/dbraw/zinc/83/67/53/978836753.db2.gz OFGKGTPMVRTWTM-OAHLLOKOSA-N -1 3 411.321 3.635 20 0 HHADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc3c2OCC[C@@H]3N(C)C)cc1OCC ZINC000432489426 978843757 /nfs/dbraw/zinc/84/37/57/978843757.db2.gz KXLOMDUHWUPEMS-SFHVURJKSA-N -1 3 420.531 3.670 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc3c2OCC[C@@H]3N(C)C)cc1Cl ZINC000432490926 978845086 /nfs/dbraw/zinc/84/50/86/978845086.db2.gz UKEPNDQZAPZPOL-INIZCTEOSA-N -1 3 410.923 3.843 20 0 HHADHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2ccc(Br)c(C)c2F)c1 ZINC000432646959 978924435 /nfs/dbraw/zinc/92/44/35/978924435.db2.gz SSLLKRYIUZRFRI-UHFFFAOYSA-N -1 3 420.231 3.623 20 0 HHADHM Cc1cc(Sc2ncccn2)ccc1[N-]S(=O)(=O)c1ccc(N(C)C)cc1 ZINC000432758161 978961840 /nfs/dbraw/zinc/96/18/40/978961840.db2.gz DKJCPOGKMKYUAE-UHFFFAOYSA-N -1 3 400.529 3.803 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(CC(=O)NC(C)C)cc2)cc1C(C)C ZINC000432763173 978964554 /nfs/dbraw/zinc/96/45/54/978964554.db2.gz APVGYBGJVKLGTC-UHFFFAOYSA-N -1 3 418.559 3.995 20 0 HHADHM CN(C)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCCC3)c(Cl)c2)cc1 ZINC000432769625 978968321 /nfs/dbraw/zinc/96/83/21/978968321.db2.gz CSMKCXMEMOSUPO-UHFFFAOYSA-N -1 3 421.950 3.833 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(Cn3cncn3)c2)cc1C(C)C ZINC000432769557 978968421 /nfs/dbraw/zinc/96/84/21/978968421.db2.gz PARXEBVKFSGJHW-UHFFFAOYSA-N -1 3 400.504 3.568 20 0 HHADHM C[C@@H](CC(=O)Nc1ccccc1[N-]S(C)(=O)=O)c1ccc(Br)cc1 ZINC000432771768 978969424 /nfs/dbraw/zinc/96/94/24/978969424.db2.gz ZFZPYGWYJHRHPZ-LBPRGKRZSA-N -1 3 411.321 3.953 20 0 HHADHM CN(C)c1ccc(S(=O)(=O)[N-]c2cccc(COCC(F)(F)C(F)F)c2)cc1 ZINC000432774249 978970542 /nfs/dbraw/zinc/97/05/42/978970542.db2.gz AZQNJCZPOKITHB-UHFFFAOYSA-N -1 3 420.428 3.970 20 0 HHADHM CCN(Cc1cccc([N-]S(=O)(=O)c2cc(Cl)c(OC)cc2C)c1)C(C)=O ZINC000432777277 978971199 /nfs/dbraw/zinc/97/11/99/978971199.db2.gz AITXVTNWYYQJIP-UHFFFAOYSA-N -1 3 410.923 3.826 20 0 HHADHM CCN1C(=O)CCc2cc([N-]S(=O)(=O)c3cc(Cl)c(OC)cc3C)ccc21 ZINC000432778135 978971617 /nfs/dbraw/zinc/97/16/17/978971617.db2.gz GHLGEPPFLMPPBB-UHFFFAOYSA-N -1 3 408.907 3.757 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNc3nccc(Oc4ccccc4)n3)c2)[n-]1 ZINC000432937989 979016599 /nfs/dbraw/zinc/01/65/99/979016599.db2.gz MYPXJKNLVODOJW-UHFFFAOYSA-N -1 3 416.441 3.843 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNc3nccc(Oc4ccccc4)n3)c2)n[n-]1 ZINC000432937989 979016604 /nfs/dbraw/zinc/01/66/04/979016604.db2.gz MYPXJKNLVODOJW-UHFFFAOYSA-N -1 3 416.441 3.843 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc([C@@H](C)N3CCOCC3)c2)cc1Cl ZINC000432949828 979020175 /nfs/dbraw/zinc/02/01/75/979020175.db2.gz MTFVVZOFIXHWHF-OAHLLOKOSA-N -1 3 424.950 3.851 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(OCc3nccn3C)cc2)cc1Cl ZINC000432956134 979023277 /nfs/dbraw/zinc/02/32/77/979023277.db2.gz XQSHSCSFLWLBHK-UHFFFAOYSA-N -1 3 421.906 3.770 20 0 HHADHM Cn1[n-]c(-c2cccs2)nc1=NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000432957345 979023755 /nfs/dbraw/zinc/02/37/55/979023755.db2.gz YNCCXRWQYWVPDO-UHFFFAOYSA-N -1 3 423.734 3.727 20 0 HHADHM CCC(CC)n1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)n1 ZINC000433197158 979135255 /nfs/dbraw/zinc/13/52/55/979135255.db2.gz QBGXZGXLIUVJJW-UHFFFAOYSA-N -1 3 418.441 3.887 20 0 HHADHM CCNc1ccc(Cl)cc1C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000433302746 979225060 /nfs/dbraw/zinc/22/50/60/979225060.db2.gz IYGJODWMJLFQIJ-UHFFFAOYSA-N -1 3 411.911 3.794 20 0 HHADHM CCNC(=O)Nc1cccc(NC(=O)NCc2ccc([O-])c(Br)c2)c1C ZINC000433757250 979551430 /nfs/dbraw/zinc/55/14/30/979551430.db2.gz FSRSLKNXCXOPTJ-UHFFFAOYSA-N -1 3 421.295 3.926 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCCO[C@H]2C(C)(C)C)sc1Br ZINC000433810617 979591996 /nfs/dbraw/zinc/59/19/96/979591996.db2.gz FWNBMOWFZHBOMP-WCQYABFASA-N -1 3 410.399 3.939 20 0 HHADHM Cc1cc(S(=O)(=O)[N-][C@H](c2nc(C3CC3)no2)C(C)C)sc1Br ZINC000433843719 979620941 /nfs/dbraw/zinc/62/09/41/979620941.db2.gz VWFWHTIKRRYTKI-NSHDSACASA-N -1 3 420.354 3.755 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)c3ccoc3Cl)c2)cc1 ZINC000433965502 979722517 /nfs/dbraw/zinc/72/25/17/979722517.db2.gz CAUUDDSFARGRCA-UHFFFAOYSA-N -1 3 420.874 3.672 20 0 HHADHM CCN(C(=O)c1cc(=O)[n-]c(N(C)C)n1)[C@@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000433981412 979732520 /nfs/dbraw/zinc/73/25/20/979732520.db2.gz OZYCVAPNOZSWIY-IBGZPJMESA-N -1 3 411.893 3.548 20 0 HHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cc(-c4ccc5c(c4)CCO5)no3)cc2)n1 ZINC000434010688 979756830 /nfs/dbraw/zinc/75/68/30/979756830.db2.gz HUHJYNCMNUAOAP-UHFFFAOYSA-N -1 3 414.421 3.588 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)NCc3c(C)cc(C)cc3C)c2)[n-]1 ZINC000434101597 979852476 /nfs/dbraw/zinc/85/24/76/979852476.db2.gz JGNXAEMNNDZWLQ-UHFFFAOYSA-N -1 3 421.501 3.573 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)NCc3c(C)cc(C)cc3C)c2)n[n-]1 ZINC000434101597 979852484 /nfs/dbraw/zinc/85/24/84/979852484.db2.gz JGNXAEMNNDZWLQ-UHFFFAOYSA-N -1 3 421.501 3.573 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)N[C@H](CC)c3cccs3)c2)[n-]1 ZINC000434111822 979865327 /nfs/dbraw/zinc/86/53/27/979865327.db2.gz PVFAKRAJLKPTMX-OAHLLOKOSA-N -1 3 413.503 3.660 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)N[C@H](CC)c3cccs3)c2)n[n-]1 ZINC000434111822 979865332 /nfs/dbraw/zinc/86/53/32/979865332.db2.gz PVFAKRAJLKPTMX-OAHLLOKOSA-N -1 3 413.503 3.660 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)N(Cc2cccc(C(F)(F)F)c2)C(C)C)c(C)o1 ZINC000434111947 979865727 /nfs/dbraw/zinc/86/57/27/979865727.db2.gz QWHLEGXJJYMTOH-UHFFFAOYSA-N -1 3 418.437 3.566 20 0 HHADHM CS(=O)(=O)c1c(Cl)cccc1[N-]C(=O)c1cc(-c2ccc3c(c2)CCO3)no1 ZINC000434155435 979917155 /nfs/dbraw/zinc/91/71/55/979917155.db2.gz XHEAGNKCGJDGGJ-UHFFFAOYSA-N -1 3 418.858 3.586 20 0 HHADHM C[C@@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1cccc(OCc2ccccc2)c1 ZINC000434311784 980072058 /nfs/dbraw/zinc/07/20/58/980072058.db2.gz HPUYKNDACUSUQT-OAHLLOKOSA-N -1 3 400.434 3.640 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)c1cc(-c2ccc3c(c2)CCO3)no1 ZINC000434360478 980114398 /nfs/dbraw/zinc/11/43/98/980114398.db2.gz RETJHDIQDRYGIC-UHFFFAOYSA-N -1 3 415.243 3.675 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)N[C@H](C)c3c(C)cccc3C)c2)[n-]1 ZINC000434368923 980117521 /nfs/dbraw/zinc/11/75/21/980117521.db2.gz YCUCNCIQJDOPGT-MRXNPFEDSA-N -1 3 421.501 3.826 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)N[C@H](C)c3c(C)cccc3C)c2)n[n-]1 ZINC000434368923 980117525 /nfs/dbraw/zinc/11/75/25/980117525.db2.gz YCUCNCIQJDOPGT-MRXNPFEDSA-N -1 3 421.501 3.826 20 0 HHADHM Cc1nc(C)c(CC(=O)N2CC3(CCC3)c3cc(Br)ccc32)c(=O)[n-]1 ZINC000434381362 980127590 /nfs/dbraw/zinc/12/75/90/980127590.db2.gz ARRAKQMHRJKZAQ-UHFFFAOYSA-N -1 3 402.292 3.573 20 0 HHADHM CC(C)(C)c1nnc([N-]C(=O)c2cc(I)c(F)cc2F)s1 ZINC000435058844 980603749 /nfs/dbraw/zinc/60/37/49/980603749.db2.gz UUZGIFXMXABASB-UHFFFAOYSA-N -1 3 423.226 3.971 20 0 HHADHM COc1ccccc1[C@]1(C)C[C@@H]1[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000435220486 980730241 /nfs/dbraw/zinc/73/02/41/980730241.db2.gz OZCOXBNDVZLJLD-IRXDYDNUSA-N -1 3 414.296 3.605 20 0 HHADHM Cc1nc(C)c(CCC(=O)NCCc2cc(Cl)ccc2Br)c(=O)[n-]1 ZINC000435377170 980826054 /nfs/dbraw/zinc/82/60/54/980826054.db2.gz YSTXLKASQRDEIF-UHFFFAOYSA-N -1 3 412.715 3.506 20 0 HHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cn(-c2ccc(Cl)c(Cl)c2)cn1 ZINC000435404034 980842716 /nfs/dbraw/zinc/84/27/16/980842716.db2.gz YBXQSBBQVUAWMQ-UHFFFAOYSA-N -1 3 400.229 3.612 20 0 HHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cn(-c2ccc(Cl)c(Cl)c2)cn1 ZINC000435404034 980842724 /nfs/dbraw/zinc/84/27/24/980842724.db2.gz YBXQSBBQVUAWMQ-UHFFFAOYSA-N -1 3 400.229 3.612 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H]1C[C@@H]1c1cccc(F)c1 ZINC000435437991 980862713 /nfs/dbraw/zinc/86/27/13/980862713.db2.gz NFXRSGMYFIGTIN-CABCVRRESA-N -1 3 405.472 3.661 20 0 HHADHM COc1ccc(OC)c(S(=O)(=O)[N-]c2cc(F)c(F)cc2Br)c1 ZINC000435723594 981003415 /nfs/dbraw/zinc/00/34/15/981003415.db2.gz SZKQDHBHULPGAK-UHFFFAOYSA-N -1 3 408.220 3.545 20 0 HHADHM CC[C@H](O)CN(Cc1ccccc1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000435775618 981025809 /nfs/dbraw/zinc/02/58/09/981025809.db2.gz DRDVFQJCRWIJSM-INIZCTEOSA-N -1 3 407.308 3.637 20 0 HHADHM C[C@H](SCc1nnc2n1CCOC2)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000435789326 981032424 /nfs/dbraw/zinc/03/24/24/981032424.db2.gz DMYJBZHUOKLXKV-JTQLQIEISA-N -1 3 415.500 3.773 20 0 HHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NC[C@@H]3CCC(F)(F)C3)cs2)c1 ZINC000435951946 981110086 /nfs/dbraw/zinc/11/00/86/981110086.db2.gz JJTRLAPSCARJPB-GFCCVEGCSA-N -1 3 409.458 3.504 20 0 HHADHM Cc1nc(C)c(CC(=O)N2CCC[C@H]2c2ccc(Br)c(F)c2)c(=O)[n-]1 ZINC000435973409 981124254 /nfs/dbraw/zinc/12/42/54/981124254.db2.gz FRSGGUQABYLWOR-INIZCTEOSA-N -1 3 408.271 3.607 20 0 HHADHM Cc1ccc2c(CCNC(=O)NCc3ccc([O-])c(Br)c3)cn(C)c2c1 ZINC000436401764 981349864 /nfs/dbraw/zinc/34/98/64/981349864.db2.gz XNIDZSXPFONNIW-UHFFFAOYSA-N -1 3 416.319 3.997 20 0 HHADHM Cc1nc(C)c(CCC(=O)N[C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)c(=O)[n-]1 ZINC000436463272 981387659 /nfs/dbraw/zinc/38/76/59/981387659.db2.gz XPZGOEHJQJPVRJ-HNNXBMFYSA-N -1 3 405.779 3.944 20 0 HHADHM O=S(=O)([N-]c1cc(-c2nc[nH]n2)ccc1F)c1ccc(OC(F)F)c(Cl)c1 ZINC000436479102 981394663 /nfs/dbraw/zinc/39/46/63/981394663.db2.gz SPQMIDUAOTWZJH-UHFFFAOYSA-N -1 3 418.784 3.666 20 0 HHADHM C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)o1 ZINC000436485975 981396823 /nfs/dbraw/zinc/39/68/23/981396823.db2.gz MDDYNSIWVIXDNT-ZWQIFLOQSA-N -1 3 408.498 3.633 20 0 HHADHM C[C@H](NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000436497744 981401910 /nfs/dbraw/zinc/40/19/10/981401910.db2.gz UJPVMJOBUPBALU-AWEZNQCLSA-N -1 3 421.419 3.640 20 0 HHADHM CS(=O)(=O)c1ccc(F)c(CNC(=O)c2cc(Oc3ccccc3)ccc2[O-])c1 ZINC000436501502 981404665 /nfs/dbraw/zinc/40/46/65/981404665.db2.gz GMPBGJHXONZKHP-UHFFFAOYSA-N -1 3 415.442 3.657 20 0 HHADHM COc1ccccc1[C@H]1CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CCN1 ZINC000436503555 981406236 /nfs/dbraw/zinc/40/62/36/981406236.db2.gz MNDKFVXQUFLKNY-JOCHJYFZSA-N -1 3 402.494 3.778 20 0 HHADHM O=C(Nc1cccc(-c2nccs2)c1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436509375 981409190 /nfs/dbraw/zinc/40/91/90/981409190.db2.gz BDIKASKMVAFQMQ-UHFFFAOYSA-N -1 3 408.483 3.506 20 0 HHADHM CCOC[C@H]1CCCN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000436520795 981414454 /nfs/dbraw/zinc/41/44/54/981414454.db2.gz AIEXRZAPQFMJQP-PGRDOPGGSA-N -1 3 410.514 3.529 20 0 HHADHM CCOc1cc(O)ccc1NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436521534 981415153 /nfs/dbraw/zinc/41/51/53/981415153.db2.gz FQCNFFWJYHHLSY-NRFANRHFSA-N -1 3 420.465 3.996 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCC1Cc2ccccc2C1 ZINC000436522572 981415930 /nfs/dbraw/zinc/41/59/30/981415930.db2.gz MOCWEQXLBCAMGU-XMMPIXPASA-N -1 3 414.505 3.785 20 0 HHADHM Cc1noc(C)c1C[C@H](C)NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436523711 981416559 /nfs/dbraw/zinc/41/65/59/981416559.db2.gz CNUYILJHLGHQJO-NYHFZMIOSA-N -1 3 421.497 3.606 20 0 HHADHM Cc1noc(C)c1C[C@H](C)NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436523712 981416624 /nfs/dbraw/zinc/41/66/24/981416624.db2.gz CNUYILJHLGHQJO-OYHNWAKOSA-N -1 3 421.497 3.606 20 0 HHADHM CC(C)C[C@@H]1COCCN1C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436524263 981417370 /nfs/dbraw/zinc/41/73/70/981417370.db2.gz FZMYAPPULSFAOS-IFMALSPDSA-N -1 3 410.514 3.527 20 0 HHADHM CCSCC[C@H](C)NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436526528 981419143 /nfs/dbraw/zinc/41/91/43/981419143.db2.gz JHQDYUWUEATWRI-OXJNMPFZSA-N -1 3 400.544 3.901 20 0 HHADHM CCOc1ccc(NC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1Cl ZINC000436527356 981420372 /nfs/dbraw/zinc/42/03/72/981420372.db2.gz ICZCCXSINJMKPW-UHFFFAOYSA-N -1 3 417.893 3.871 20 0 HHADHM C[C@H](CCc1cccn1C)NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436528351 981420905 /nfs/dbraw/zinc/42/09/05/981420905.db2.gz NWJCPOYVDPHVKL-JPYJTQIMSA-N -1 3 419.525 3.729 20 0 HHADHM CCCCOc1cccc(NC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000436530564 981422691 /nfs/dbraw/zinc/42/26/91/981422691.db2.gz QZVIKBRLONVFRP-UHFFFAOYSA-N -1 3 411.502 3.997 20 0 HHADHM Cc1cccc(N(CCC(N)=O)C(=O)c2cc(OCc3ccccc3)ccc2[O-])c1 ZINC000436540982 981430384 /nfs/dbraw/zinc/43/03/84/981430384.db2.gz VDZHWNGKIGNMJC-UHFFFAOYSA-N -1 3 404.466 3.802 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)cc1 ZINC000436541514 981431159 /nfs/dbraw/zinc/43/11/59/981431159.db2.gz VVURGDODQLFHQQ-UHFFFAOYSA-N -1 3 407.426 3.907 20 0 HHADHM COc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2I)c([O-])c1 ZINC000436542596 981431894 /nfs/dbraw/zinc/43/18/94/981431894.db2.gz AFJZHNQKPCXXRS-MRXNPFEDSA-N -1 3 423.250 3.983 20 0 HHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCN(CC(F)(F)C(F)F)CC1 ZINC000436545236 981433134 /nfs/dbraw/zinc/43/31/34/981433134.db2.gz RNFJUYBKZRTRPO-UHFFFAOYSA-N -1 3 412.383 3.843 20 0 HHADHM O=C(Nc1cc(Cl)ccc1C(=O)N1CCCCC1)c1cc2c(cc1[O-])OCO2 ZINC000436548222 981434975 /nfs/dbraw/zinc/43/49/75/981434975.db2.gz ZNWWSFTXEZGZSE-UHFFFAOYSA-N -1 3 402.834 3.653 20 0 HHADHM C[C@@H]1CN(C[C@@H]2CCCN2C(=O)c2cc(Oc3ccccc3)ccc2[O-])C[C@H](C)O1 ZINC000436551493 981437462 /nfs/dbraw/zinc/43/74/62/981437462.db2.gz ZRELJHHWMWBCGW-OTWHNJEPSA-N -1 3 410.514 3.898 20 0 HHADHM COc1cc([C@@H](C)NC(=O)c2cc3c(cc2[O-])OCO3)ccc1OCc1ccncc1 ZINC000436552677 981437856 /nfs/dbraw/zinc/43/78/56/981437856.db2.gz AQDJQLNKIBYLSK-CQSZACIVSA-N -1 3 422.437 3.595 20 0 HHADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000436552862 981438415 /nfs/dbraw/zinc/43/84/15/981438415.db2.gz ASHATHPQXHWHHC-SJORKVTESA-N -1 3 419.308 3.787 20 0 HHADHM CSCC[C@H](C)N(C)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436553555 981438621 /nfs/dbraw/zinc/43/86/21/981438621.db2.gz CXFQZJOFHOROMV-OXJNMPFZSA-N -1 3 400.544 3.853 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@@H]1CCCC(F)(F)C1 ZINC000436555090 981440114 /nfs/dbraw/zinc/44/01/14/981440114.db2.gz IHBWUCUXZIMFKI-MJGOQNOKSA-N -1 3 402.441 3.948 20 0 HHADHM O=C(Nc1ccc(Cl)cn1)c1cccc(NC(=O)c2cc3c(cc2[O-])OCO3)c1 ZINC000436555803 981441057 /nfs/dbraw/zinc/44/10/57/981441057.db2.gz PSCLJFWXUGGWIF-UHFFFAOYSA-N -1 3 411.801 3.674 20 0 HHADHM O=C(Nc1cccc(C(=O)N2CCOCC2)c1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436556597 981441904 /nfs/dbraw/zinc/44/19/04/981441904.db2.gz OIRILTVRCDRQBQ-UHFFFAOYSA-N -1 3 418.449 3.909 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1ccc2c(c1)COC2 ZINC000436558057 981443406 /nfs/dbraw/zinc/44/34/06/981443406.db2.gz SZXARIRCTAJBOY-QFIPXVFZSA-N -1 3 402.450 3.922 20 0 HHADHM COc1cccc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1O ZINC000436560355 981443848 /nfs/dbraw/zinc/44/38/48/981443848.db2.gz BKPLWNNODISHCI-IBGZPJMESA-N -1 3 406.438 3.606 20 0 HHADHM Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NC(=O)c1cc2c(cc1[O-])OCO2 ZINC000436560813 981444521 /nfs/dbraw/zinc/44/45/21/981444521.db2.gz DAICXYVHRYKAQN-KBPBESRZSA-N -1 3 410.470 3.800 20 0 HHADHM CN(Cc1ccc(S(C)(=O)=O)cc1)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436564065 981447139 /nfs/dbraw/zinc/44/71/39/981447139.db2.gz OAIYNXIPHYTYRK-UHFFFAOYSA-N -1 3 423.534 3.853 20 0 HHADHM CC[C@@H](C)n1nc(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cc1C ZINC000436564722 981447836 /nfs/dbraw/zinc/44/78/36/981447836.db2.gz RWSWKBJGVZLGMQ-IIBYNOLFSA-N -1 3 420.513 4.368 20 0 HHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCNC(=O)[C@H]1c1cccs1 ZINC000436570674 981451123 /nfs/dbraw/zinc/45/11/23/981451123.db2.gz AHPCWWGICUUNIV-OAQYLSRUSA-N -1 3 406.507 3.552 20 0 HHADHM CS(=O)(=O)Cc1ccccc1CNC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436575183 981454111 /nfs/dbraw/zinc/45/41/11/981454111.db2.gz NURLMOBCIOUTPG-UHFFFAOYSA-N -1 3 411.479 3.659 20 0 HHADHM CN1CCN(CCOc2ccc(NC(=O)c3c([O-])cc(Cl)cc3Cl)cc2)CC1 ZINC000436576409 981454965 /nfs/dbraw/zinc/45/49/65/981454965.db2.gz QKLBWQBSHAERQD-UHFFFAOYSA-N -1 3 424.328 3.578 20 0 HHADHM CS(=O)(=O)c1cccc([C@H](NC(=O)c2ccccc2[O-])c2cc(F)ccc2F)c1 ZINC000436578963 981457247 /nfs/dbraw/zinc/45/72/47/981457247.db2.gz XXGMMJIVCIEKCO-FQEVSTJZSA-N -1 3 417.433 3.593 20 0 HHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC000436584773 981459998 /nfs/dbraw/zinc/45/99/98/981459998.db2.gz KGVURJQWVKXPFW-UHFFFAOYSA-N -1 3 415.511 3.758 20 0 HHADHM COc1ccc(CNC(=O)C2CCN(C(=O)c3ccc(C(C)C)cc3[O-])CC2)cc1 ZINC000436584303 981460276 /nfs/dbraw/zinc/46/02/76/981460276.db2.gz HAXCUCFDSMWMFG-UHFFFAOYSA-N -1 3 410.514 3.693 20 0 HHADHM CN(C(=O)c1cc(Oc2ccccc2)ccc1[O-])C1CCN(c2cccnn2)CC1 ZINC000436585343 981460638 /nfs/dbraw/zinc/46/06/38/981460638.db2.gz PPIYYIORAMYDLC-UHFFFAOYSA-N -1 3 404.470 3.716 20 0 HHADHM CN(C)C(=O)COc1ccc(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])cc1 ZINC000436585945 981460767 /nfs/dbraw/zinc/46/07/67/981460767.db2.gz UIYIVGFXECLKMW-UHFFFAOYSA-N -1 3 418.493 3.897 20 0 HHADHM O=C(Nc1cccn(CC(F)(F)F)c1=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436586800 981461481 /nfs/dbraw/zinc/46/14/81/981461481.db2.gz NJCRTZUCUVBLLQ-UHFFFAOYSA-N -1 3 402.372 3.959 20 0 HHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCN(Cc2cccnc2)CC1 ZINC000436590859 981463381 /nfs/dbraw/zinc/46/33/81/981463381.db2.gz UPSJDZVVUMSMNK-UHFFFAOYSA-N -1 3 401.510 3.530 20 0 HHADHM C[C@H](NC(=O)c1cc(CCc2ccccc2)ccc1[O-])c1ccc2c(c1)NC(=O)CO2 ZINC000436594437 981464921 /nfs/dbraw/zinc/46/49/21/981464921.db2.gz FDJVHAOEVVYEJQ-INIZCTEOSA-N -1 3 416.477 3.999 20 0 HHADHM CC(C)c1nn(C)cc1NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436595764 981465736 /nfs/dbraw/zinc/46/57/36/981465736.db2.gz MXZJOLAGAMLDOY-IBGZPJMESA-N -1 3 406.486 3.749 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)N[C@H](c2c(F)cccc2F)C(F)(F)F)c([O-])c1 ZINC000436598081 981466696 /nfs/dbraw/zinc/46/66/96/981466696.db2.gz YIQIUCDUESNAAV-QGZVFWFLSA-N -1 3 416.346 3.519 20 0 HHADHM COC(=O)c1cccc(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC000436604844 981470209 /nfs/dbraw/zinc/47/02/09/981470209.db2.gz OYNFKUDUHKYJIO-OAQYLSRUSA-N -1 3 418.449 3.679 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@@H]1CCc2ccccc2C1 ZINC000436606894 981470992 /nfs/dbraw/zinc/47/09/92/981470992.db2.gz RBSXUTAFEKYQMN-VWNXMTODSA-N -1 3 414.505 3.927 20 0 HHADHM Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000436607657 981471742 /nfs/dbraw/zinc/47/17/42/981471742.db2.gz SUOHBMFODPPZDC-UHFFFAOYSA-N -1 3 423.538 3.643 20 0 HHADHM CCC(=O)Nc1ccc(Cl)c(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000436616300 981476644 /nfs/dbraw/zinc/47/66/44/981476644.db2.gz DQBDFADUSSXBCS-QGZVFWFLSA-N -1 3 415.877 3.637 20 0 HHADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CC[C@H](CSc2ccccc2)C1 ZINC000436618002 981477303 /nfs/dbraw/zinc/47/73/03/981477303.db2.gz JXBFSNYMONVHEY-FXAWDEMLSA-N -1 3 410.539 3.638 20 0 HHADHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CC=C(c2ccc(Cl)cc2)CC1 ZINC000436621553 981479049 /nfs/dbraw/zinc/47/90/49/981479049.db2.gz BPJBOCUJPHALDP-FQEVSTJZSA-N -1 3 410.901 3.966 20 0 HHADHM CC1(C)C[C@@H](NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c2ccc(F)cc2O1 ZINC000436622184 981479719 /nfs/dbraw/zinc/47/97/19/981479719.db2.gz CTWVKNCOVCUTKL-QZTJIDSGSA-N -1 3 412.461 3.555 20 0 HHADHM Cc1cc(C)cc(-c2nnc(NC(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])s2)c1 ZINC000436627613 981482016 /nfs/dbraw/zinc/48/20/16/981482016.db2.gz ULJDIJBNSFNBLI-QGZVFWFLSA-N -1 3 422.510 3.771 20 0 HHADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2nc3cc(C(F)(F)F)ccc3o2)CC1 ZINC000436643559 981490186 /nfs/dbraw/zinc/49/01/86/981490186.db2.gz PNBFBBQUFSZEHF-UHFFFAOYSA-N -1 3 405.376 3.510 20 0 HHADHM CC(C)(C)O[C@@H](C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccccc1 ZINC000436643424 981490260 /nfs/dbraw/zinc/49/02/60/981490260.db2.gz XLAMFWJNPDLIGJ-OAQYLSRUSA-N -1 3 410.514 3.669 20 0 HHADHM O=C(Cc1ccc(NC(=O)c2c([O-])cccc2O)cc1)N1CCCc2ccccc21 ZINC000436650860 981492328 /nfs/dbraw/zinc/49/23/28/981492328.db2.gz XWHDQLMIZGHTKC-UHFFFAOYSA-N -1 3 402.450 3.872 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)N[C@@H](c2c[nH]c3ccccc32)C(F)(F)F)c([O-])c1 ZINC000436658218 981496168 /nfs/dbraw/zinc/49/61/68/981496168.db2.gz YSIRNATUMAIDMJ-IBGZPJMESA-N -1 3 419.403 3.722 20 0 HHADHM CN(c1ccccc1)c1ccccc1C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436660314 981497091 /nfs/dbraw/zinc/49/70/91/981497091.db2.gz SHKCGOVZJDYWBJ-UHFFFAOYSA-N -1 3 415.493 3.758 20 0 HHADHM CCOc1ccc(Oc2cc(CNC(=O)c3cc(OC)c([O-])c(OC)c3)ccn2)cc1 ZINC000436667875 981500590 /nfs/dbraw/zinc/50/05/90/981500590.db2.gz YUWJKXORAJYDOM-UHFFFAOYSA-N -1 3 424.453 3.925 20 0 HHADHM Cc1cnc([C@H](NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])C2CC2)s1 ZINC000436669321 981502169 /nfs/dbraw/zinc/50/21/69/981502169.db2.gz JSJOBBUGZLKQEJ-QGZVFWFLSA-N -1 3 412.471 3.587 20 0 HHADHM Cn1c(CCNC(=O)c2cc(Cc3ccccc3)ccc2[O-])nnc1-c1ccccc1 ZINC000436670864 981502573 /nfs/dbraw/zinc/50/25/73/981502573.db2.gz GWGDTBPZCCCTPO-UHFFFAOYSA-N -1 3 412.493 3.751 20 0 HHADHM O=C(c1ccccc1[O-])N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)CC1 ZINC000436672575 981503935 /nfs/dbraw/zinc/50/39/35/981503935.db2.gz MJNUQOBGMXNGSX-FCHUYYIVSA-N -1 3 400.478 3.634 20 0 HHADHM COc1ccc(CN(C(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])C2CC2)cc1 ZINC000436675019 981505469 /nfs/dbraw/zinc/50/54/69/981505469.db2.gz UAQZJDQEVJLSGH-UHFFFAOYSA-N -1 3 421.453 3.754 20 0 HHADHM CCOc1cccc([C@@H](C)NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])c1 ZINC000436676319 981505963 /nfs/dbraw/zinc/50/59/63/981505963.db2.gz ZMMIMMKSJWSRDC-CYBMUJFWSA-N -1 3 409.442 3.831 20 0 HHADHM CC(C)Oc1ccc(CC[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000436676932 981506634 /nfs/dbraw/zinc/50/66/34/981506634.db2.gz AVBYHWPFHUFOPE-AVRDEDQJSA-N -1 3 424.541 3.922 20 0 HHADHM CCS[C@@H]1CCC[C@H](NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])C1 ZINC000436681119 981508769 /nfs/dbraw/zinc/50/87/69/981508769.db2.gz PQDHYYCYPNRZMU-DZGCQCFKSA-N -1 3 403.504 3.735 20 0 HHADHM O=C(NCC(F)(F)c1ccc(Cl)cc1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436684957 981511855 /nfs/dbraw/zinc/51/18/55/981511855.db2.gz JOIBUCCJVQZSFE-INIZCTEOSA-N -1 3 408.832 3.558 20 0 HHADHM CN(CCCOc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436690590 981514717 /nfs/dbraw/zinc/51/47/17/981514717.db2.gz ZSEDTCXNMCGBGU-LJQANCHMSA-N -1 3 416.905 3.578 20 0 HHADHM CN(CCCOc1cccc(Cl)c1)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436691418 981515319 /nfs/dbraw/zinc/51/53/19/981515319.db2.gz YBAGLXZAZXSMGT-IBGZPJMESA-N -1 3 416.905 3.578 20 0 HHADHM CC(C)(C)OCc1cccc(CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000436699364 981519927 /nfs/dbraw/zinc/51/99/27/981519927.db2.gz PULYXYWEOVRLAB-HXUWFJFHSA-N -1 3 410.514 3.628 20 0 HHADHM [O-]c1ccccc1-c1nc(CSc2nnc(Nc3cccc(F)c3)s2)no1 ZINC000436707004 981522787 /nfs/dbraw/zinc/52/27/87/981522787.db2.gz RGLURKZCRRDRGQ-UHFFFAOYSA-N -1 3 401.448 4.469 20 0 HHADHM Cc1cc(Br)cc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000436707215 981522941 /nfs/dbraw/zinc/52/29/41/981522941.db2.gz OMARRYCWKUQMAU-INIZCTEOSA-N -1 3 403.276 3.706 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCc3c(C)cc(C)cc3C2)c1 ZINC000436708254 981523379 /nfs/dbraw/zinc/52/33/79/981523379.db2.gz RJMKUOACBRNZHF-UHFFFAOYSA-N -1 3 405.454 3.756 20 0 HHADHM COc1cccc(C(=O)Nc2ccc(Oc3ccc(S(C)(=O)=O)cc3)cc2)c1[O-] ZINC000436708709 981523408 /nfs/dbraw/zinc/52/34/08/981523408.db2.gz KKYJWHMZGYFFSO-UHFFFAOYSA-N -1 3 413.451 3.849 20 0 HHADHM CCOc1ccc(NC(=O)c2cccc(C)c2[O-])cc1S(=O)(=O)N1CCCCC1 ZINC000436718389 981528921 /nfs/dbraw/zinc/52/89/21/981528921.db2.gz WQTNRRCFBUIQGT-UHFFFAOYSA-N -1 3 418.515 3.526 20 0 HHADHM COc1c(C)cnc(CN2CCC(N(C)C(=O)c3ccc(Cl)cc3[O-])CC2)c1C ZINC000436721283 981531236 /nfs/dbraw/zinc/53/12/36/981531236.db2.gz WTGIKAQSDQHMTB-UHFFFAOYSA-N -1 3 417.937 3.803 20 0 HHADHM C[C@H](CC(C)(C)c1ccccc1)NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436722832 981531845 /nfs/dbraw/zinc/53/18/45/981531845.db2.gz MEEROGIWLKPABZ-GOSISDBHSA-N -1 3 409.530 3.616 20 0 HHADHM CC(C)[C@]1(CO)CCCN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000436732079 981536933 /nfs/dbraw/zinc/53/69/33/981536933.db2.gz CACADXCHJNWZBL-RCZVLFRGSA-N -1 3 424.541 3.511 20 0 HHADHM O=C(N[C@H]1CCCc2sc(Cl)cc21)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436739795 981539458 /nfs/dbraw/zinc/53/94/58/981539458.db2.gz QMLUXCHOFOGUCP-LSDHHAIUSA-N -1 3 404.919 3.906 20 0 HHADHM Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1OCC(F)F ZINC000436738741 981539665 /nfs/dbraw/zinc/53/96/65/981539665.db2.gz UHSBUNCZXRXMET-MRXNPFEDSA-N -1 3 404.413 3.588 20 0 HHADHM O=C(N[C@@H]1CCCOc2c(Cl)cccc21)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436740112 981540224 /nfs/dbraw/zinc/54/02/24/981540224.db2.gz PSJJAAOUYMHEKW-MSOLQXFVSA-N -1 3 414.889 3.680 20 0 HHADHM O=C(N[C@@H]1CCCOc2cc(Cl)ccc21)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436742391 981541347 /nfs/dbraw/zinc/54/13/47/981541347.db2.gz VKMYGQQNNRNYNC-MSOLQXFVSA-N -1 3 414.889 3.680 20 0 HHADHM CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436747712 981543238 /nfs/dbraw/zinc/54/32/38/981543238.db2.gz BRYIUODDBUVKMG-QGZVFWFLSA-N -1 3 422.403 3.554 20 0 HHADHM C[C@@H](CSc1ccc(F)cc1)C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436749207 981544034 /nfs/dbraw/zinc/54/40/34/981544034.db2.gz YAKVKFKXDCQZGE-HNNXBMFYSA-N -1 3 416.518 3.681 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1cccc2c1OCO2 ZINC000436748269 981544087 /nfs/dbraw/zinc/54/40/87/981544087.db2.gz OKYBYXJPNGXXPQ-LJQANCHMSA-N -1 3 404.422 3.621 20 0 HHADHM O=C(NC1CCN(CCOc2ccc(F)cc2)CC1)c1cc(F)cc(Cl)c1[O-] ZINC000436751828 981545372 /nfs/dbraw/zinc/54/53/72/981545372.db2.gz VIISSNQVLOWTNR-UHFFFAOYSA-N -1 3 410.848 3.597 20 0 HHADHM Cc1cc(CN2C(=O)c3ccccc3C2=O)cc(C(=O)N(C)c2ccccc2)c1[O-] ZINC000436758098 981548649 /nfs/dbraw/zinc/54/86/49/981548649.db2.gz XQXPRFHTWJVEII-UHFFFAOYSA-N -1 3 400.434 3.773 20 0 HHADHM Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436767344 981553469 /nfs/dbraw/zinc/55/34/69/981553469.db2.gz UPWSIVSWAJGGIO-HXUWFJFHSA-N -1 3 407.470 3.749 20 0 HHADHM O=C(c1ccccc1[O-])N1CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2F)CC1 ZINC000436770230 981554585 /nfs/dbraw/zinc/55/45/85/981554585.db2.gz LPQHUTQFXQXAOG-UHFFFAOYSA-N -1 3 422.431 3.936 20 0 HHADHM Cc1coc(-c2ccc(C)c(NC(=O)N3CCN(C(=O)c4ccc([O-])cc4)CC3)c2)n1 ZINC000436771643 981554990 /nfs/dbraw/zinc/55/49/90/981554990.db2.gz XNJKDOFSMGBLTE-UHFFFAOYSA-N -1 3 420.469 3.654 20 0 HHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@H]3c4ccccc4O[C@H]3C)cs2)c1 ZINC000436773955 981556230 /nfs/dbraw/zinc/55/62/30/981556230.db2.gz LLJLQSDGPNYLSG-RNODOKPDSA-N -1 3 423.494 3.590 20 0 HHADHM O=C(C[C@@H]1CCCS(=O)(=O)C1)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000436779543 981558005 /nfs/dbraw/zinc/55/80/05/981558005.db2.gz WCGAYDRKHTUHJF-ZDUSSCGKSA-N -1 3 416.524 3.822 20 0 HHADHM CCOC(=O)[C@@]1(COC)CCCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000436780481 981558239 /nfs/dbraw/zinc/55/82/39/981558239.db2.gz CSGUVZGYNAFEPZ-QHCPKHFHSA-N -1 3 413.470 3.616 20 0 HHADHM C[C@@H](CC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1)c1c[nH]c2ccccc21 ZINC000436784904 981559763 /nfs/dbraw/zinc/55/97/63/981559763.db2.gz SBCXLGYGLJHUKE-INIZCTEOSA-N -1 3 405.498 3.788 20 0 HHADHM Cc1c(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cccc1-c1ccccn1 ZINC000436786224 981560510 /nfs/dbraw/zinc/56/05/10/981560510.db2.gz CKANXHIVEJPKEU-UHFFFAOYSA-N -1 3 415.493 3.797 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCOC[C@@H]1CC1CCC1 ZINC000436790604 981562539 /nfs/dbraw/zinc/56/25/39/981562539.db2.gz HLIXDSZRKNPVPU-JTHBVZDNSA-N -1 3 422.525 3.671 20 0 HHADHM O=C(c1ccc(O)cc1[O-])N(Cc1cccc(Br)c1)C1CCOCC1 ZINC000436790230 981562650 /nfs/dbraw/zinc/56/26/50/981562650.db2.gz GDTMRNFTQIFJGZ-UHFFFAOYSA-N -1 3 406.276 3.682 20 0 HHADHM CCCc1c(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cnn1C1CCCC1 ZINC000436816399 981573933 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ZINC000437417745 982059022 /nfs/dbraw/zinc/05/90/22/982059022.db2.gz DPFYWVFNRCMJOW-UHFFFAOYSA-N -1 3 417.892 3.554 20 0 HHADHM O=C(N[C@H]1C[C@H](c2ccccc2)C1)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000437458887 982092009 /nfs/dbraw/zinc/09/20/09/982092009.db2.gz HAOGOGCNOPDVOG-WKILWMFISA-N -1 3 413.474 3.631 20 0 HHADHM CCCOc1ccc(CC(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1OCCC ZINC000437952067 982483050 /nfs/dbraw/zinc/48/30/50/982483050.db2.gz GTXFOFVYOOIXHJ-UHFFFAOYSA-N -1 3 420.531 3.817 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ncsc2-c2ccccc2)cc1OC ZINC000438063336 982564179 /nfs/dbraw/zinc/56/41/79/982564179.db2.gz ZQLVSXHSYBRYOH-UHFFFAOYSA-N -1 3 417.512 3.833 20 0 HHADHM COc1ccc(OCCS(=O)(=O)[N-]c2cccc(-c3nc(C)cs3)c2)cc1 ZINC000460820453 982571974 /nfs/dbraw/zinc/57/19/74/982571974.db2.gz ABZUCJXEQMDEFO-UHFFFAOYSA-N -1 3 404.513 3.948 20 0 HHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cccnc3SCc3cc(C)on3)nc21 ZINC000438344264 982734381 /nfs/dbraw/zinc/73/43/81/982734381.db2.gz 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Cc1ccc(C(C)(C)CN(C)C(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)cc1 ZINC000461281210 982981907 /nfs/dbraw/zinc/98/19/07/982981907.db2.gz HNPZCCQSFCIJHO-UHFFFAOYSA-N -1 3 418.541 3.818 20 0 HHADHM Cc1ccccc1Nc1nc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)cs1 ZINC000438693820 983006914 /nfs/dbraw/zinc/00/69/14/983006914.db2.gz AKVNUSLDUHSGCN-UHFFFAOYSA-N -1 3 408.527 3.859 20 0 HHADHM Cc1c([N-]S(=O)(=O)CCc2ccccc2Br)cnn1CC(C)C ZINC000461337328 983026062 /nfs/dbraw/zinc/02/60/62/983026062.db2.gz ZZNOHJYHIBFUJO-UHFFFAOYSA-N -1 3 400.342 3.594 20 0 HHADHM CCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C3CCC3)c2)cc1F ZINC000461350731 983033188 /nfs/dbraw/zinc/03/31/88/983033188.db2.gz ZCQLCGAWQHUNFB-UHFFFAOYSA-N -1 3 412.508 3.656 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(O[C@H]3CCOC3)cc2)cc1Br ZINC000438775117 983063256 /nfs/dbraw/zinc/06/32/56/983063256.db2.gz LDDIKOLYAVGZOM-HNNXBMFYSA-N -1 3 412.305 3.726 20 0 HHADHM Cn1cc(C[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)c(C(F)(F)F)n1 ZINC000438951768 983174094 /nfs/dbraw/zinc/17/40/94/983174094.db2.gz UNSXXSYYKVKDTG-UHFFFAOYSA-N -1 3 421.750 3.590 20 0 HHADHM COc1ccc(NC(=O)[C@H]2CO[C@@H](C)C2)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000438971538 983186905 /nfs/dbraw/zinc/18/69/05/983186905.db2.gz UVMNANKUEDXOLC-QWHCGFSZSA-N -1 3 424.906 3.513 20 0 HHADHM NC(=O)CCOc1ccc(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])cc1 ZINC000439000734 983203742 /nfs/dbraw/zinc/20/37/42/983203742.db2.gz NNLADJJVXRGIFU-UHFFFAOYSA-N -1 3 404.466 3.684 20 0 HHADHM CC(C)n1c2ccccc2nc1[C@@H](C)NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000439050392 983227825 /nfs/dbraw/zinc/22/78/25/983227825.db2.gz BCAPVWREGCXQSN-OXQOHEQNSA-N -1 3 420.513 3.805 20 0 HHADHM CC[C@H](C)Oc1cc(C)ccc1CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000439057366 983231052 /nfs/dbraw/zinc/23/10/52/983231052.db2.gz KKCUMXCNNMVEBR-PXNSSMCTSA-N -1 3 410.514 3.799 20 0 HHADHM Cc1ccc(C(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)c(Sc2ccccc2)n1 ZINC000461610972 983238254 /nfs/dbraw/zinc/23/82/54/983238254.db2.gz RKUPVDOKZFQKDR-UHFFFAOYSA-N -1 3 420.494 3.690 20 0 HHADHM Cn1c2cc([O-])c(NC(=O)CC(c3ccccc3)c3ccccc3)cc2n(C)c1=O ZINC000461616685 983241186 /nfs/dbraw/zinc/24/11/86/983241186.db2.gz YZUVDTWXTLQAIK-UHFFFAOYSA-N -1 3 401.466 3.743 20 0 HHADHM C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000461616508 983241294 /nfs/dbraw/zinc/24/12/94/983241294.db2.gz XHBSVEXRPOIIKS-JTQLQIEISA-N -1 3 408.285 3.707 20 0 HHADHM Cc1cc(Br)c(C(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)cc1Cl ZINC000461627125 983248392 /nfs/dbraw/zinc/24/83/92/983248392.db2.gz CMKRKJULJKNQOO-UHFFFAOYSA-N -1 3 424.682 3.559 20 0 HHADHM Cn1c(=O)n(C)c2cc(NC(=O)c3cc4c(cc(Cl)cc4Cl)[nH]3)c([O-])cc21 ZINC000461627821 983249064 /nfs/dbraw/zinc/24/90/64/983249064.db2.gz AXRZURZXVKFVMZ-UHFFFAOYSA-N -1 3 405.241 3.623 20 0 HHADHM COc1ccc2c(c1)CCN(C(=O)Nc1ccc(-c3cc(=O)[n-]c(C)n3)cc1)CC2 ZINC000439142363 983270441 /nfs/dbraw/zinc/27/04/41/983270441.db2.gz OSCYUJBDBFULIW-UHFFFAOYSA-N -1 3 404.470 3.799 20 0 HHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)C1(Cc2ccccc2Cl)CC1 ZINC000439264440 983337915 /nfs/dbraw/zinc/33/79/15/983337915.db2.gz XSLLVYCYCMZZSK-UHFFFAOYSA-N -1 3 412.917 3.789 20 0 HHADHM CC1(C)Cc2ccc(C(=O)Nc3ccc(Cc4nnc5ccccn54)cc3)c([O-])c2O1 ZINC000439370043 983382255 /nfs/dbraw/zinc/38/22/55/983382255.db2.gz IMKCZUPSPPTFHP-UHFFFAOYSA-N -1 3 414.465 3.992 20 0 HHADHM CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000439816156 983549090 /nfs/dbraw/zinc/54/90/90/983549090.db2.gz NYSFPMVMMBQFCP-UZUQRXQVSA-N -1 3 418.541 3.604 20 0 HHADHM CCOCCNC(=O)CS[C@@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000439874197 983564548 /nfs/dbraw/zinc/56/45/48/983564548.db2.gz BHYVESJIDMNYAF-NSHDSACASA-N -1 3 407.517 3.604 20 0 HHADHM CNC(=O)Cn1ccc2ccc(NC(=O)c3cc(Cc4ccccc4)ccc3[O-])cc21 ZINC000440083335 983637313 /nfs/dbraw/zinc/63/73/13/983637313.db2.gz ZXMIWGWMELIWAA-UHFFFAOYSA-N -1 3 413.477 3.936 20 0 HHADHM Cc1nc(C2([N-]S(=O)(=O)c3ccc4c(c3)CC(C)(C)O4)CCCCCC2)no1 ZINC000440384460 983739922 /nfs/dbraw/zinc/73/99/22/983739922.db2.gz WLICWHPDDKJDJG-UHFFFAOYSA-N -1 3 405.520 3.620 20 0 HHADHM C[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)CC(C)(C)O2)c1nc(-c2cccc(F)c2)no1 ZINC000440399267 983744478 /nfs/dbraw/zinc/74/44/78/983744478.db2.gz OEVNYCUWYYVBDA-GFCCVEGCSA-N -1 3 417.462 3.629 20 0 HHADHM Cc1noc(C2CCC([N-]S(=O)(=O)c3c(Cl)ccc(C)c3Cl)CC2)n1 ZINC000440400075 983744877 /nfs/dbraw/zinc/74/48/77/983744877.db2.gz UWUTVARGZWWDHA-UHFFFAOYSA-N -1 3 404.319 3.998 20 0 HHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)[C@H]1C[C@]12CCc1ccccc12 ZINC000440642966 983834987 /nfs/dbraw/zinc/83/49/87/983834987.db2.gz RHDPIJFVYPPCLQ-BEFAXECRSA-N -1 3 424.444 3.920 20 0 HHADHM CCCn1c(=O)[nH]c(=O)c2c(C(=O)Nc3cc(Cl)ccc3[O-])cc(C(C)C)nc21 ZINC000440938628 983990035 /nfs/dbraw/zinc/99/00/35/983990035.db2.gz AKOZKNYXNURPFH-UHFFFAOYSA-N -1 3 416.865 3.642 20 0 HHADHM C[C@H](Sc1nncn1C)C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000440944554 983992534 /nfs/dbraw/zinc/99/25/34/983992534.db2.gz WSBOSBORBKDFOZ-NSHDSACASA-N -1 3 411.512 3.917 20 0 HHADHM O=C(CNC(=O)Cc1ccccc1)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000440953965 983995777 /nfs/dbraw/zinc/99/57/77/983995777.db2.gz QJUQPINZJGIATQ-UHFFFAOYSA-N -1 3 417.490 3.966 20 0 HHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cn4cc(Cl)cc(Cl)c4n3)nc21 ZINC000441051996 984044325 /nfs/dbraw/zinc/04/43/25/984044325.db2.gz PIADRWWIFOLBEI-UHFFFAOYSA-N -1 3 404.213 3.556 20 0 HHADHM CCOC(=O)[C@@H]1CN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)Cc2ccccc21 ZINC000441096025 984066640 /nfs/dbraw/zinc/06/66/40/984066640.db2.gz AJOHWAJLYIDGPY-QGZVFWFLSA-N -1 3 403.438 3.744 20 0 HHADHM CCCc1ccccc1NC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000441309098 984172493 /nfs/dbraw/zinc/17/24/93/984172493.db2.gz HUHVIFFVYIOSMU-UHFFFAOYSA-N -1 3 413.902 3.532 20 0 HHADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2F)cc1Cl ZINC000441382063 984221139 /nfs/dbraw/zinc/22/11/39/984221139.db2.gz JTKQZWQGZGTVBT-UHFFFAOYSA-N -1 3 422.659 3.829 20 0 HHADHM COC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(CCC(F)(F)F)c2)cc1 ZINC000441759859 984435212 /nfs/dbraw/zinc/43/52/12/984435212.db2.gz CIEFISSQWHYTOQ-UHFFFAOYSA-N -1 3 417.405 3.534 20 0 HHADHM CSc1cc(C(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)c(Cl)cc1Cl ZINC000461631301 984652205 /nfs/dbraw/zinc/65/22/05/984652205.db2.gz KXWQJSKFSFLPCM-UHFFFAOYSA-N -1 3 412.298 3.864 20 0 HHADHM O=C1CCc2cc(S(=O)(=O)[N-]c3cc(Cl)cc(F)c3F)cc3c2N1CCC3 ZINC000442248866 984770879 /nfs/dbraw/zinc/77/08/79/984770879.db2.gz IFCRXSIWYKVTMO-UHFFFAOYSA-N -1 3 412.845 3.644 20 0 HHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)CN(Cc1ccccc1)Cc1ccccc1 ZINC000462032334 985009327 /nfs/dbraw/zinc/00/93/27/985009327.db2.gz OCWAICRGJDSTQG-UHFFFAOYSA-N -1 3 423.538 3.699 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N3C[C@H](C)[C@H]3c3ccccc3)c2)n1 ZINC000442565552 985056039 /nfs/dbraw/zinc/05/60/39/985056039.db2.gz ILGXKMVIQPCPJY-BTYIYWSLSA-N -1 3 416.481 3.570 20 0 HHADHM CO[C@@](C)(C[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F)C1CC1 ZINC000462121827 985091946 /nfs/dbraw/zinc/09/19/46/985091946.db2.gz ZZBGXDLQRVIGGP-ZDUSSCGKSA-N -1 3 416.259 3.561 20 0 HHADHM CCC[C@@H](NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)C(=O)OC(C)(C)C ZINC000462166682 985143062 /nfs/dbraw/zinc/14/30/62/985143062.db2.gz UMUIOVOTBNQIBL-MRXNPFEDSA-N -1 3 400.479 3.790 20 0 HHADHM O=S(=O)([N-][C@H]1CCCOc2c(Cl)cccc21)c1cnccc1C(F)(F)F ZINC000442749187 985201236 /nfs/dbraw/zinc/20/12/36/985201236.db2.gz MBKSBLIPJKQIDJ-ZDUSSCGKSA-N -1 3 406.813 3.946 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](c1ccc(Cl)cc1)[C@H]1C[C@@H]1C ZINC000442810642 985223197 /nfs/dbraw/zinc/22/31/97/985223197.db2.gz ATYQCHAUQGJCSZ-KQYVJACZSA-N -1 3 411.882 3.941 20 0 HHADHM O=S(=O)([N-][C@@H]1CCOc2c(F)ccc(F)c21)c1cc(F)ccc1Br ZINC000462303082 985289128 /nfs/dbraw/zinc/28/91/28/985289128.db2.gz ZCRSARHDZZHWRN-GFCCVEGCSA-N -1 3 422.222 3.669 20 0 HHADHM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2cc(Br)ccc2C)o1 ZINC000462309041 985296268 /nfs/dbraw/zinc/29/62/68/985296268.db2.gz AIXLVDQTWVGWLZ-CQSZACIVSA-N -1 3 402.310 3.579 20 0 HHADHM CN(C)C(=O)Nc1cccc(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)c1 ZINC000462313415 985300391 /nfs/dbraw/zinc/30/03/91/985300391.db2.gz MLRYTIZUMWWZLJ-UHFFFAOYSA-N -1 3 408.332 3.627 20 0 HHADHM O=S(=O)([N-][C@@H]1CCCN(c2ccccc2Cl)C1)c1cc(F)c(F)c(F)c1 ZINC000462325893 985315722 /nfs/dbraw/zinc/31/57/22/985315722.db2.gz QEAJBSRFUOGQJY-LLVKDONJSA-N -1 3 404.841 3.705 20 0 HHADHM CC[C@@](C)([N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F)c1nc(C)cs1 ZINC000462327695 985318289 /nfs/dbraw/zinc/31/82/89/985318289.db2.gz PHKCKPVMLNPMAX-MRXNPFEDSA-N -1 3 419.931 3.806 20 0 HHADHM Cc1ccc(N2CCC([N-]S(=O)(=O)c3cccc(Cl)c3Cl)CC2)nc1 ZINC000462337909 985327246 /nfs/dbraw/zinc/32/72/46/985327246.db2.gz RPWGKMSXDWSXLP-UHFFFAOYSA-N -1 3 400.331 3.644 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]CCCc1cccc(C(F)(F)F)c1 ZINC000443011023 985334960 /nfs/dbraw/zinc/33/49/60/985334960.db2.gz CTDTWYYETBSUQD-UHFFFAOYSA-N -1 3 419.396 3.542 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]Cc1cc2ccccc2[nH]1 ZINC000443029524 985344231 /nfs/dbraw/zinc/34/42/31/985344231.db2.gz 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ZINC000444960490 987095440 /nfs/dbraw/zinc/09/54/40/987095440.db2.gz WSCYRLOOZWWYHV-INIZCTEOSA-N -1 3 407.559 3.721 20 0 HHADHM CCCCC1CCC(NC(=O)N2CCC(c3n[n-]c(C(=O)OCC)n3)CC2)CC1 ZINC000444974439 987103336 /nfs/dbraw/zinc/10/33/36/987103336.db2.gz MCOOTKLIPFWHBA-UHFFFAOYSA-N -1 3 405.543 3.619 20 0 HHADHM CCCCC1CCC(NC(=O)N2CCC(c3nnc(C(=O)OCC)[n-]3)CC2)CC1 ZINC000444974439 987103341 /nfs/dbraw/zinc/10/33/41/987103341.db2.gz MCOOTKLIPFWHBA-UHFFFAOYSA-N -1 3 405.543 3.619 20 0 HHADHM CCCCC1CCC(CNC(=O)N2CCC(c3n[n-]c(C(=O)OCC)n3)CC2)CC1 ZINC000444989684 987118584 /nfs/dbraw/zinc/11/85/84/987118584.db2.gz HJJVRBHFUHQXBM-UHFFFAOYSA-N -1 3 419.570 3.867 20 0 HHADHM CCCCC1CCC(CNC(=O)N2CCC(c3nnc(C(=O)OCC)[n-]3)CC2)CC1 ZINC000444989684 987118595 /nfs/dbraw/zinc/11/85/95/987118595.db2.gz HJJVRBHFUHQXBM-UHFFFAOYSA-N -1 3 419.570 3.867 20 0 HHADHM CC[C@@H](Cc1ccccc1)N(CC)C(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000469453977 987140548 /nfs/dbraw/zinc/14/05/48/987140548.db2.gz 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CN(CCc1ccccn1)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000469664999 987321554 /nfs/dbraw/zinc/32/15/54/987321554.db2.gz XFRUHUWBTCTYSA-UHFFFAOYSA-N -1 3 420.694 3.654 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CC[C@H](Oc2cccnc2N2CCCC2)C1 ZINC000469666007 987322950 /nfs/dbraw/zinc/32/29/50/987322950.db2.gz VIOCJHUQDZJGLO-SFHVURJKSA-N -1 3 413.493 3.529 20 0 HHADHM COCCOc1cnc(-c2noc(-c3cc(Cc4ccccc4)ccc3[O-])n2)cn1 ZINC000445294797 987350305 /nfs/dbraw/zinc/35/03/05/987350305.db2.gz JQIUDCUDLYZFLS-UHFFFAOYSA-N -1 3 404.426 3.515 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCNC(=O)[C@H]1c1ccccc1C(F)(F)F ZINC000469800744 987442220 /nfs/dbraw/zinc/44/22/20/987442220.db2.gz SHJWHUNQECSTRP-LJQANCHMSA-N -1 3 424.394 3.573 20 0 HHADHM COCCCn1c(=O)c2ccc(Cl)cc2nc1S[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000469805951 987446480 /nfs/dbraw/zinc/44/64/80/987446480.db2.gz GWIBGCLEIAAUPG-GFCCVEGCSA-N -1 3 420.922 3.744 20 0 HHADHM Cc1cc(=O)[n-]c([C@H](C)Sc2nnc(N3CCC(C)CC3)n2Cc2ccco2)n1 ZINC000469808190 987448653 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406.262 3.715 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)Nc3ccccc3O[C@@H]3CCOC3)cc2)cc(=O)[n-]1 ZINC000470530298 988533473 /nfs/dbraw/zinc/53/34/73/988533473.db2.gz BSSICXHMQLMCRP-QGZVFWFLSA-N -1 3 406.442 3.969 20 0 HHADHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N1CCCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000470602884 988621506 /nfs/dbraw/zinc/62/15/06/988621506.db2.gz RDMVWXOTDXNRGZ-QGZVFWFLSA-N -1 3 402.372 3.956 20 0 HHADHM O=C([N-]c1nnc(-c2ccc(Cl)cc2F)s1)c1cn(Cc2cccs2)nn1 ZINC000470616180 988633341 /nfs/dbraw/zinc/63/33/41/988633341.db2.gz BMLVXDNGKSZQQB-UHFFFAOYSA-N -1 3 420.882 3.951 20 0 HHADHM O=S(=O)([N-]Cc1nnc(-c2ccccc2)s1)c1cccc(Cl)c1Cl ZINC000470626249 988640619 /nfs/dbraw/zinc/64/06/19/988640619.db2.gz MRTXPKWEXJKLQG-UHFFFAOYSA-N -1 3 400.312 3.990 20 0 HHADHM CC[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)C1CCOCC1 ZINC000470672537 988694706 /nfs/dbraw/zinc/69/47/06/988694706.db2.gz LVJZJPWGJSIQRK-IBGZPJMESA-N -1 3 420.506 3.562 20 0 HHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)Cc1ccccc1Br 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408.857 3.613 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N1C[C@@H]2CCC[C@H]2C1 ZINC000465089421 989412069 /nfs/dbraw/zinc/41/20/69/989412069.db2.gz IJFAEJVGVOMBJD-HOTGVXAUSA-N -1 3 402.491 3.807 20 0 HHADHM C[C@H](COc1ccccc1)C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000471313670 989474681 /nfs/dbraw/zinc/47/46/81/989474681.db2.gz WZEGCZHJCKSTGS-GFCCVEGCSA-N -1 3 416.421 3.731 20 0 HHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1ccc(NC(=O)NC(C)C)cc1 ZINC000471317093 989476329 /nfs/dbraw/zinc/47/63/29/989476329.db2.gz LSDFOFOTKPHUAR-UHFFFAOYSA-N -1 3 419.478 3.889 20 0 HHADHM O=C([N-]c1nnc(C(F)F)s1)c1cc(F)c(F)cc1I ZINC000471341226 989503757 /nfs/dbraw/zinc/50/37/57/989503757.db2.gz DPKKESQDIVWPEI-UHFFFAOYSA-N -1 3 417.125 3.611 20 0 HHADHM CCCC[C@@H](NC(=O)C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1)C1CCC1 ZINC000465354344 989703220 /nfs/dbraw/zinc/70/32/20/989703220.db2.gz IGDUXCXVCYUQFG-LJQANCHMSA-N -1 3 410.518 3.825 20 0 HHADHM O=C(Nc1cccc(S(=O)(=O)NCc2ccco2)c1)c1cc([O-])c2ccccc2c1 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416.525 3.553 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC000472391543 993386461 /nfs/dbraw/zinc/38/64/61/993386461.db2.gz XOOZRXWCJKARGG-NQIIRXRSSA-N -1 3 416.525 3.553 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNc3cncc(SC)n3)c2)cc1 ZINC000472488207 993490371 /nfs/dbraw/zinc/49/03/71/993490371.db2.gz XCQVVZZRTFDXPE-UHFFFAOYSA-N -1 3 416.528 3.620 20 0 HHADHM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2ccc(Br)cc2C)o1 ZINC000472585835 993548714 /nfs/dbraw/zinc/54/87/14/993548714.db2.gz MIPZZSVMROKAOG-AWEZNQCLSA-N -1 3 402.310 3.579 20 0 HHADHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2oc3ccc(Cl)cc3c2C)C12CCOCC2 ZINC000472608008 993559284 /nfs/dbraw/zinc/55/92/84/993559284.db2.gz JAUHJYRKGCKBBB-SJORKVTESA-N -1 3 413.923 3.647 20 0 HHADHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2oc3ccc(Cl)cc3c2C)C12CCOCC2 ZINC000472608000 993559397 /nfs/dbraw/zinc/55/93/97/993559397.db2.gz JAUHJYRKGCKBBB-DLBZAZTESA-N -1 3 413.923 3.647 20 0 HHADHM COc1ccccc1[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)OC(C)C 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JYALLGMMNQHULC-CYBMUJFWSA-N -1 3 421.872 3.972 20 0 HHADHM O=S(=O)([N-][C@@H]1CCCc2c(O)cccc21)c1ccc(Br)cc1F ZINC000480851285 993724219 /nfs/dbraw/zinc/72/42/19/993724219.db2.gz JMIMXHGGMFXBDC-CQSZACIVSA-N -1 3 400.269 3.650 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H]1CCCc2c(O)cccc21 ZINC000480861660 993733822 /nfs/dbraw/zinc/73/38/22/993733822.db2.gz GJRQYQACLXCBNX-HNNXBMFYSA-N -1 3 417.508 3.749 20 0 HHADHM COC(=O)[C@H]([N-]S(=O)(=O)c1cccc2ccccc21)c1ccc(OC)c(Cl)c1 ZINC000472952544 993884425 /nfs/dbraw/zinc/88/44/25/993884425.db2.gz MBPMAQNMBXIAGB-LJQANCHMSA-N -1 3 419.886 3.694 20 0 HHADHM O=C([N-]c1ccccc1S(=O)(=O)N1CCCCC1)c1c(F)c(F)cc(F)c1F ZINC000481168531 993999575 /nfs/dbraw/zinc/99/95/75/993999575.db2.gz MMADNOVSDDQZBB-UHFFFAOYSA-N -1 3 416.396 3.670 20 0 HHADHM COc1c(=O)[n-]c(=O)[nH]c1C(=O)Nc1ccc(Sc2ccccc2Cl)cc1 ZINC000473325560 994188409 /nfs/dbraw/zinc/18/84/09/994188409.db2.gz WLGIGRHCKQFBBR-UHFFFAOYSA-N -1 3 403.847 3.953 20 0 HHADHM CC[C@@H](C)N[C@H](CNC(=O)N=c1nc(-c2sccc2C)[n-]s1)c1ccco1 ZINC000481377507 994208588 /nfs/dbraw/zinc/20/85/88/994208588.db2.gz KDWLRUPAXHENNI-CHWSQXEVSA-N -1 3 405.549 3.841 20 0 HHADHM COc1ccc(-c2cc3[n-]c(CN(C)C[C@H]4CCCC[C@@H]4O)nc(=O)c3s2)cc1 ZINC000481441185 994276965 /nfs/dbraw/zinc/27/69/65/994276965.db2.gz LRJFLLGIHKXXGC-QAPCUYQASA-N -1 3 413.543 3.643 20 0 HHADHM C[C@@H](Cc1cnc2ccccc2n1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000481455579 994291171 /nfs/dbraw/zinc/29/11/71/994291171.db2.gz RFVIYUPFMMRBNM-LBPRGKRZSA-N -1 3 400.276 3.593 20 0 HHADHM CC(=O)CCc1ccc(OCc2cccc(C(=O)NCc3ncccc3[O-])c2)cc1 ZINC000473631253 994511260 /nfs/dbraw/zinc/51/12/60/994511260.db2.gz RNYXESNDMGLCOO-UHFFFAOYSA-N -1 3 404.466 3.818 20 0 HHADHM O=C(NCc1ncccc1[O-])[C@@H](Oc1ccccc1Br)c1ccccc1 ZINC000473639734 994520871 /nfs/dbraw/zinc/52/08/71/994520871.db2.gz REAFBKFIDNBLQD-IBGZPJMESA-N -1 3 413.271 3.986 20 0 HHADHM O=C(NCc1ncccc1[O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(Cl)cc1 ZINC000473644484 994527323 /nfs/dbraw/zinc/52/73/23/994527323.db2.gz RPRXHKGPMCMDRA-IPELMVKDSA-N -1 3 413.905 3.530 20 0 HHADHM O=C([N-]c1n[nH]c(-c2cccc(C(F)(F)F)c2)n1)c1cc2nccnc2cc1F ZINC000473689102 994579417 /nfs/dbraw/zinc/57/94/17/994579417.db2.gz IIFOOAGJVLZICV-UHFFFAOYSA-N -1 3 402.311 3.825 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2c3c(ccc2Cl)OCC3)c(Br)c1 ZINC000481866930 994727969 /nfs/dbraw/zinc/72/79/69/994727969.db2.gz OLUHPTHYATXIIG-UHFFFAOYSA-N -1 3 418.696 3.847 20 0 HHADHM CN(C)Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)nc2)cc1Cl ZINC000481876052 994740399 /nfs/dbraw/zinc/74/03/99/994740399.db2.gz RCPCHVHIFVRLEW-UHFFFAOYSA-N -1 3 423.844 3.539 20 0 HHADHM O=S(=O)([N-]c1ccncc1Br)c1cc2cc(Cl)ccc2s1 ZINC000481918851 994790509 /nfs/dbraw/zinc/79/05/09/994790509.db2.gz FTRORZBLUXXQSI-UHFFFAOYSA-N -1 3 403.710 3.935 20 0 HHADHM Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)NCc3nc(C(F)(F)F)n[n-]3)c12 ZINC000481933678 994805705 /nfs/dbraw/zinc/80/57/05/994805705.db2.gz HPNICZGGKKGIBW-UHFFFAOYSA-N -1 3 423.443 3.685 20 0 HHADHM Cc1c2cc(Br)ccc2oc1C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000473883270 994830701 /nfs/dbraw/zinc/83/07/01/994830701.db2.gz DNWASNQOEOGMAE-UHFFFAOYSA-N -1 3 412.247 3.860 20 0 HHADHM Cc1c2cc(Br)ccc2oc1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000473883270 994830708 /nfs/dbraw/zinc/83/07/08/994830708.db2.gz DNWASNQOEOGMAE-UHFFFAOYSA-N -1 3 412.247 3.860 20 0 HHADHM O=C(CCc1nc2ccccc2n1-c1ccccc1)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000473930591 994902534 /nfs/dbraw/zinc/90/25/34/994902534.db2.gz YZROUODHHJWNTE-UHFFFAOYSA-N -1 3 423.480 3.701 20 0 HHADHM O=C(CCc1nc2ccccc2n1-c1ccccc1)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000473930591 994902546 /nfs/dbraw/zinc/90/25/46/994902546.db2.gz YZROUODHHJWNTE-UHFFFAOYSA-N -1 3 423.480 3.701 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)cc1 ZINC000482050402 994975219 /nfs/dbraw/zinc/97/52/19/994975219.db2.gz PMFQLISRPDWXCN-UHFFFAOYSA-N -1 3 422.466 3.630 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)NC[C@H]1CCO[C@@H]1c1ccccc1 ZINC000482083501 995022485 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HHADHM C[C@H](CC(=O)c1ccccc1)[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000489676582 999815488 /nfs/dbraw/zinc/81/54/88/999815488.db2.gz MZXGYKLKEKWRGP-LLVKDONJSA-N -1 3 405.369 3.664 20 0 HHADHM O=S(=O)([N-][C@@H](c1ccccc1)[C@H]1CCOC1)c1cccc(OC(F)(F)F)c1F ZINC000489698742 999819954 /nfs/dbraw/zinc/81/99/54/999819954.db2.gz FXVSEVHNXISXMN-GUYCJALGSA-N -1 3 419.396 3.780 20 0 HHADHM C[C@H](NC(=O)NCc1ccc([O-])c(Br)c1)[C@H]1OCCc2sccc21 ZINC000489788052 999838334 /nfs/dbraw/zinc/83/83/34/999838334.db2.gz GFXITLFVRWXMMR-MGPLVRAMSA-N -1 3 411.321 3.718 20 0 HHADHM CC(C)(C)OC1CC(CC[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)C1 ZINC000489819456 999843844 /nfs/dbraw/zinc/84/38/44/999843844.db2.gz QKHBQZIREPVHRS-UHFFFAOYSA-N -1 3 413.433 3.986 20 0 HHADHM O=S(=O)([N-]C[C@H]1CCO[C@@H]1c1ccccc1)c1csc(-c2ccccc2)n1 ZINC000480634677 999846823 /nfs/dbraw/zinc/84/68/23/999846823.db2.gz JXRUZJAQTUFKSC-IEBWSBKVSA-N -1 3 400.525 3.866 20 0 HHADHM COc1cc(C(=O)NCc2cccc(NC(=O)c3ccccc3)c2)cc(OC)c1[O-] ZINC000480656011 999852227 /nfs/dbraw/zinc/85/22/27/999852227.db2.gz ZFSKZYPDEMBWIB-UHFFFAOYSA-N -1 3 406.438 3.592 20 0 HHADHM O=S(=O)(Cc1ccc(Cl)c(F)c1)[N-]Cc1nc(-c2cccc(Cl)c2)no1 ZINC000480668300 999855224 /nfs/dbraw/zinc/85/52/24/999855224.db2.gz SPCFHIMBTATHKC-UHFFFAOYSA-N -1 3 416.261 3.802 20 0 HHADHM CC(C)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)C1(CO)CCC1 ZINC000490093213 999892280 /nfs/dbraw/zinc/89/22/80/999892280.db2.gz SNXVDFUDUXULOJ-AWEZNQCLSA-N -1 3 410.761 3.568 20 0 HHADHM CC(C)[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)C1(CO)CCC1 ZINC000490104584 999893732 /nfs/dbraw/zinc/89/37/32/999893732.db2.gz OIXMTVNXWXETOH-AWEZNQCLSA-N -1 3 410.761 3.568 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NCc1ccc(C(C)(F)F)cc1 ZINC000490222950 999914496 /nfs/dbraw/zinc/91/44/96/999914496.db2.gz QORPDEIYCWGRTN-UHFFFAOYSA-N -1 3 412.440 3.501 20 0 HHADHM Cc1nc(S(=O)(=O)Cc2ccc(Oc3ccccc3)nn2)[n-]c1-c1ccccc1 ZINC000490415880 999954050 /nfs/dbraw/zinc/95/40/50/999954050.db2.gz QLMYDZPRCRFJPI-UHFFFAOYSA-N -1 3 406.467 3.941 20 0 HHADHM Cc1[n-]c(S(=O)(=O)Cc2ccc(Oc3ccccc3)nn2)nc1-c1ccccc1 ZINC000490415880 999954051 /nfs/dbraw/zinc/95/40/51/999954051.db2.gz QLMYDZPRCRFJPI-UHFFFAOYSA-N -1 3 406.467 3.941 20 0 HHADHM O=S(=O)(Cc1ccon1)[N-]C[C@@H](OCc1ccccc1)c1ccc(Cl)cc1 ZINC000490417994 999954404 /nfs/dbraw/zinc/95/44/04/999954404.db2.gz CTFNFJLTZGMQSI-LJQANCHMSA-N -1 3 406.891 3.706 20 0 HHADHM CC(C)c1nnc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)s1 ZINC000490445245 999958956 /nfs/dbraw/zinc/95/89/56/999958956.db2.gz DHUOQUQQPDYVHS-UHFFFAOYSA-N -1 3 413.874 3.855 20 0 HHADHM O=S(=O)([N-][C@@H]1CCN(c2ccccc2F)C1)c1ccc(F)cc1C(F)(F)F ZINC000490462239 999961312 /nfs/dbraw/zinc/96/13/12/999961312.db2.gz ZJYWTPHJQSJUSY-GFCCVEGCSA-N -1 3 406.376 3.541 20 0 HHADHM Cc1nc(S(=O)(=O)Cc2nnc(Cc3ccccc3C)o2)[n-]c1-c1ccccc1 ZINC000490464478 999961921 /nfs/dbraw/zinc/96/19/21/999961921.db2.gz KRGIKMZOAKGKMM-UHFFFAOYSA-N -1 3 408.483 3.641 20 0 HHADHM Cc1[n-]c(S(=O)(=O)Cc2nnc(Cc3ccccc3C)o2)nc1-c1ccccc1 ZINC000490464478 999961923 /nfs/dbraw/zinc/96/19/23/999961923.db2.gz KRGIKMZOAKGKMM-UHFFFAOYSA-N -1 3 408.483 3.641 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)CCOc2ccc(Cl)cc2)cc1OC ZINC000490542362 999974951 /nfs/dbraw/zinc/97/49/51/999974951.db2.gz ITMMLTOUERTQGM-UHFFFAOYSA-N -1 3 412.895 3.518 20 0 HHADHM O=C(Nc1n[n-]c(SCCO)n1)[C@@H](Sc1ccc(F)c(F)c1)c1ccccc1 ZINC000490545906 999975265 /nfs/dbraw/zinc/97/52/65/999975265.db2.gz PNDOPMQSLUMVBL-HNNXBMFYSA-N -1 3 422.482 3.639 20 0 HHADHM C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1F)[C@@H]1OCCc2sccc21 ZINC000490622367 999985786 /nfs/dbraw/zinc/98/57/86/999985786.db2.gz VIWZMBQVKMNEPR-VFZGTOFNSA-N -1 3 420.325 3.631 20 0 HHADHM CCCOc1ccc(NC(=O)CS(=O)(=O)[N-]c2ccc(OC(C)C)cc2)c(C)c1 ZINC000490790238 1000006555 /nfs/dbraw/zinc/00/65/55/1000006555.db2.gz ANWRKCVPKVRWSB-UHFFFAOYSA-N -1 3 420.531 3.951 20 0 HHADHM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)N1CCc2cccc(F)c21 ZINC000490966167 1000028785 /nfs/dbraw/zinc/02/87/85/1000028785.db2.gz BABGNHTVNHAIST-UHFFFAOYSA-N -1 3 414.433 3.969 20 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ZINC000505282213 1000669232 /nfs/dbraw/zinc/66/92/32/1000669232.db2.gz XJHJCPKGGZFIGP-UHFFFAOYSA-N -1 3 407.495 3.648 20 0 HHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3CCCC[C@H]3C(F)F)cs2)c1 ZINC000505441343 1000775820 /nfs/dbraw/zinc/77/58/20/1000775820.db2.gz BECKCQJESATZPA-AWEZNQCLSA-N -1 3 409.458 3.598 20 0 HHADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)NC1(c2ccccc2)CCCCC1 ZINC000505746820 1001003875 /nfs/dbraw/zinc/00/38/75/1001003875.db2.gz AXJYGGZRNLVJJZ-UHFFFAOYSA-N -1 3 412.964 3.656 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CC2(CCC2)[C@@H]1c1ccccc1 ZINC000495443351 1001014058 /nfs/dbraw/zinc/01/40/58/1001014058.db2.gz BQLWPDSFRNBDIC-QFIPXVFZSA-N -1 3 414.509 3.827 20 0 HHADHM O=c1nc(CN2CCC[C@H](c3nnc4n3CCC4)C2)[n-]c2scc(-c3ccco3)c21 ZINC000505868803 1001070262 /nfs/dbraw/zinc/07/02/62/1001070262.db2.gz RIKVSYUMRIAAJT-ZDUSSCGKSA-N -1 3 422.514 3.574 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)CCc2ccc(Cl)s2)cc1OC ZINC000497127919 1001273504 /nfs/dbraw/zinc/27/35/04/1001273504.db2.gz YLELEEKQJBCDNE-UHFFFAOYSA-N -1 3 402.925 3.743 20 0 HHADHM CN(CCC1CCCCC1)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000506201831 1001275920 /nfs/dbraw/zinc/27/59/20/1001275920.db2.gz XHKRGHXVMFSDJQ-UHFFFAOYSA-N -1 3 407.511 3.997 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)C3CCOCC3)ccc2C)cc1 ZINC000497174984 1001277831 /nfs/dbraw/zinc/27/78/31/1001277831.db2.gz LYCMXMBMGQTZPO-UHFFFAOYSA-N -1 3 418.515 3.560 20 0 HHADHM COc1cc(C(=O)N[C@H](C)Cc2cc(Br)ccc2F)cc(OC)c1[O-] ZINC000497313229 1001289271 /nfs/dbraw/zinc/28/92/71/1001289271.db2.gz MUWUSPFXFYTCCE-SNVBAGLBSA-N -1 3 412.255 3.672 20 0 HHADHM O=c1cc(C(F)(F)F)nc(CNc2ccc3nccnc3c2Br)[n-]1 ZINC000506232309 1001295180 /nfs/dbraw/zinc/29/51/80/1001295180.db2.gz AVXGKFRPJIHEOE-UHFFFAOYSA-N -1 3 400.158 3.519 20 0 HHADHM CCC[C@H]1C[C@H](C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)CCO1 ZINC000506501655 1001442124 /nfs/dbraw/zinc/44/21/24/1001442124.db2.gz XOUDPBXZLHSAST-WBVHZDCISA-N -1 3 408.926 3.818 20 0 HHADHM Cc1nc([N-]C(=O)c2ccc(S(C)(=O)=O)o2)sc1Cc1cccc(Cl)c1 ZINC000497811337 1001521020 /nfs/dbraw/zinc/52/10/20/1001521020.db2.gz CMULFRSVNSWSIO-UHFFFAOYSA-N -1 3 410.904 3.945 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(CS(=O)(=O)C(C)(C)C)cc2)cc1C ZINC000497892294 1001553134 /nfs/dbraw/zinc/55/31/34/1001553134.db2.gz UGDFCQSGIWFICF-UHFFFAOYSA-N -1 3 411.545 3.518 20 0 HHADHM Cc1c(C(=O)[N-]c2nc(-c3cccs3)ns2)nnn1-c1cccc2cccnc21 ZINC000497977858 1001587905 /nfs/dbraw/zinc/58/79/05/1001587905.db2.gz XRCKAIRAXZYMTR-UHFFFAOYSA-N -1 3 419.495 3.956 20 0 HHADHM CCOC(=O)C(=C([O-])CSc1n[nH]c(-c2ccc(C)cc2)n1)c1nc(C)cs1 ZINC000498070730 1001629714 /nfs/dbraw/zinc/62/97/14/1001629714.db2.gz IVQFAEATFAHKMM-HNNXBMFYSA-N -1 3 416.528 3.553 20 0 HHADHM CCc1sc([N-]C(=O)c2ccc(S(C)(=O)=O)o2)nc1-c1ccc(OC)cc1 ZINC000498109108 1001643968 /nfs/dbraw/zinc/64/39/68/1001643968.db2.gz WCSCBQFYHJOLRV-UHFFFAOYSA-N -1 3 406.485 3.630 20 0 HHADHM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)cc1)N1CCCCCC1 ZINC000498412462 1001841551 /nfs/dbraw/zinc/84/15/51/1001841551.db2.gz APJADKCGCJODLL-UHFFFAOYSA-N -1 3 415.515 3.830 20 0 HHADHM CCc1nc(C(=O)[N-]c2n[nH]c(-c3ccccc3OC)n2)nn1-c1ccccc1Cl ZINC000498416404 1001845973 /nfs/dbraw/zinc/84/59/73/1001845973.db2.gz ZVTILGKNMIMHPN-UHFFFAOYSA-N -1 3 423.864 3.529 20 0 HHADHM CCOC(=O)Cn1ccc2cc([N-]S(=O)(=O)c3cc(C)c(OC)c(C)c3)ccc21 ZINC000498423347 1001853450 /nfs/dbraw/zinc/85/34/50/1001853450.db2.gz OCBVSSRPGGXZFR-UHFFFAOYSA-N -1 3 416.499 3.631 20 0 HHADHM O=C(NCCc1cccc(OCc2ccccc2)c1)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000498505662 1001927988 /nfs/dbraw/zinc/92/79/88/1001927988.db2.gz NVXMIHGCIHITHN-UHFFFAOYSA-N -1 3 415.449 3.513 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(Oc3ccc(C)nn3)c2)cc1C ZINC000498507785 1001930378 /nfs/dbraw/zinc/93/03/78/1001930378.db2.gz HMFSCVDYZMNTAB-UHFFFAOYSA-N -1 3 415.471 3.704 20 0 HHADHM C[C@H](c1ccccc1)N1CC[C@@H]([N-]S(=O)(=O)c2ccc(Br)s2)C1 ZINC000507296534 1001980261 /nfs/dbraw/zinc/98/02/61/1001980261.db2.gz WQMDXADPJCSTBO-TZMCWYRMSA-N -1 3 415.378 3.624 20 0 HHADHM O=C([N-]c1ncn(Cc2ccc(Cl)cc2)n1)c1csc(-c2ncccc2F)n1 ZINC000507554973 1002161178 /nfs/dbraw/zinc/16/11/78/1002161178.db2.gz SFGGDHTWBVCLJG-UHFFFAOYSA-N -1 3 414.853 3.890 20 0 HHADHM COCCCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1OC ZINC000507564936 1002170233 /nfs/dbraw/zinc/17/02/33/1002170233.db2.gz KUMGTTDQVFJJOX-UHFFFAOYSA-N -1 3 405.516 3.790 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]c2ccc3nccnc3c2Br)c(F)cc1F ZINC000507587577 1002191783 /nfs/dbraw/zinc/19/17/83/1002191783.db2.gz ZRMYWTKZKMWCAY-UHFFFAOYSA-N -1 3 414.231 3.780 20 0 HHADHM CNC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2cc(C)c(F)cc2Cl)c1OC ZINC000507587886 1002192655 /nfs/dbraw/zinc/19/26/55/1002192655.db2.gz XTBASEGEUXHRJP-UHFFFAOYSA-N -1 3 421.277 3.610 20 0 HHADHM O=S(=O)([N-]c1cc(F)c(N2CCOCC2)cc1F)c1ccc(Cl)cc1Cl ZINC000507596037 1002202982 /nfs/dbraw/zinc/20/29/82/1002202982.db2.gz NALRNIGWUAWHJJ-UHFFFAOYSA-N -1 3 423.268 3.909 20 0 HHADHM CC[C@@H]1CN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)CCN1CC(F)F ZINC000498923114 1002319522 /nfs/dbraw/zinc/31/95/22/1002319522.db2.gz GAYNEKYMPKQFCI-GFCCVEGCSA-N -1 3 408.474 3.818 20 0 HHADHM COc1ccccc1CN(CCO)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000507804389 1002355014 /nfs/dbraw/zinc/35/50/14/1002355014.db2.gz FWAXNKUOEMRAAX-UHFFFAOYSA-N -1 3 411.483 3.660 20 0 HHADHM Oc1[n-]c(SCc2cccc(Br)c2OC(F)F)nc2nncc1-2 ZINC000507866073 1002401099 /nfs/dbraw/zinc/40/10/99/1002401099.db2.gz RXELNAFMRBASHD-UHFFFAOYSA-N -1 3 403.208 3.715 20 0 HHADHM COCc1ccc(OC)c(S(=O)(=O)[N-]c2cc(F)ccc2Br)c1 ZINC000507939006 1002472697 /nfs/dbraw/zinc/47/26/97/1002472697.db2.gz XXDZWDVLVCVOKO-UHFFFAOYSA-N -1 3 404.257 3.544 20 0 HHADHM Cc1cccc(N(CCC(N)=O)Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)c1 ZINC000507977917 1002506833 /nfs/dbraw/zinc/50/68/33/1002506833.db2.gz DPGPXQCHSIKJNH-UHFFFAOYSA-N -1 3 408.483 3.847 20 0 HHADHM COC(=O)c1cccc(S(=O)(=O)[N-][C@@H](c2c[nH]c3ccccc32)C(F)(F)F)c1 ZINC000508073452 1002595058 /nfs/dbraw/zinc/59/50/58/1002595058.db2.gz KQRZHKKJFRRHFI-INIZCTEOSA-N -1 3 412.389 3.536 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CC[C@@H](COc2ccccc2)C1 ZINC000508277972 1002790151 /nfs/dbraw/zinc/79/01/51/1002790151.db2.gz JDQANRPSKDMHNS-OAHLLOKOSA-N -1 3 405.292 3.765 20 0 HHADHM Cc1nc(C)c(CCC(=O)Nc2cc(Cl)ccc2N2CCSCC2)c(=O)[n-]1 ZINC000499468474 1002856581 /nfs/dbraw/zinc/85/65/81/1002856581.db2.gz DGEGGBBKGIDQEW-UHFFFAOYSA-N -1 3 406.939 3.577 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@@H](C)c2cccc(F)c2F)cc1OC ZINC000499589789 1002965067 /nfs/dbraw/zinc/96/50/67/1002965067.db2.gz KLHJVYHQMDOGLR-NSHDSACASA-N -1 3 413.446 3.618 20 0 HHADHM CC(C)Oc1ncccc1-c1noc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000508603711 1003058882 /nfs/dbraw/zinc/05/88/82/1003058882.db2.gz KIBRYGQLBCMFLJ-GFCCVEGCSA-N -1 3 422.894 3.612 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)NCC1CCSCC1 ZINC000499720225 1003068465 /nfs/dbraw/zinc/06/84/65/1003068465.db2.gz HXBSYCVTLMQZOD-UHFFFAOYSA-N -1 3 422.547 3.808 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)COc3cccc4cccnc43)c2)n1 ZINC000508778583 1003208486 /nfs/dbraw/zinc/20/84/86/1003208486.db2.gz MYSLWSMPFHZVAE-UHFFFAOYSA-N -1 3 400.438 3.977 20 0 HHADHM COc1cc(CNC(=O)c2cc(F)cc3n[n-]nc32)ccc1OCc1ccccc1 ZINC000499928236 1003253790 /nfs/dbraw/zinc/25/37/90/1003253790.db2.gz LPZFBRXFNFIIGB-UHFFFAOYSA-N -1 3 406.417 3.615 20 0 HHADHM CCOc1cccc(C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2C(=O)OC)c1 ZINC000508840296 1003261176 /nfs/dbraw/zinc/26/11/76/1003261176.db2.gz YNIFSLUSFQPKCN-UHFFFAOYSA-N -1 3 418.298 3.657 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)N3CCC[C@@H]3[C@@H]3C[C@H](C)CC[C@H]3O)cc2)cc(=O)[n-]1 ZINC000500194499 1003540629 /nfs/dbraw/zinc/54/06/29/1003540629.db2.gz WWDTZDVGTACEJM-AZKPVJIOSA-N -1 3 410.518 3.951 20 0 HHADHM Cc1nc(C[N-]S(=O)(=O)c2cccc3c2OCO3)oc1-c1ccc(Cl)cc1 ZINC000509189901 1003614486 /nfs/dbraw/zinc/61/44/86/1003614486.db2.gz JLCWTANRPGKLKE-UHFFFAOYSA-N -1 3 406.847 3.511 20 0 HHADHM Cc1csc([C@@H](C)C[N-]S(=O)(=O)c2c(Cl)cccc2Br)n1 ZINC000509194638 1003617611 /nfs/dbraw/zinc/61/76/11/1003617611.db2.gz GLUMUOSCAYPDIV-QMMMGPOBSA-N -1 3 409.758 3.949 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]c2ncc(Br)cc2Br)ccc1F ZINC000509239500 1003646901 /nfs/dbraw/zinc/64/69/01/1003646901.db2.gz MLZPPYTVXXXMFY-UHFFFAOYSA-N -1 3 424.089 3.855 20 0 HHADHM O=S(=O)([N-][C@H]1COc2ccc(F)cc21)c1c(Cl)cccc1Br ZINC000509286581 1003681725 /nfs/dbraw/zinc/68/17/25/1003681725.db2.gz LTZRGUIYYIGRGQ-LBPRGKRZSA-N -1 3 406.660 3.654 20 0 HHADHM CCC[C@@H]1C[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)CCO1 ZINC000509290283 1003685681 /nfs/dbraw/zinc/68/56/81/1003685681.db2.gz QLLGAPVNZSNBIK-DGCLKSJQSA-N -1 3 408.442 3.611 20 0 HHADHM Cc1nc(C)c(CC(=O)N2CCC(C)(c3cccc(Br)c3)CC2)c(=O)[n-]1 ZINC000509309736 1003699148 /nfs/dbraw/zinc/69/91/48/1003699148.db2.gz HZVCYHMFMNDIAR-UHFFFAOYSA-N -1 3 418.335 3.684 20 0 HHADHM O=S(=O)([N-]CCc1cn2c(n1)CCCC2)c1csc(-c2ccc(Cl)cc2)n1 ZINC000500447715 1003724926 /nfs/dbraw/zinc/72/49/26/1003724926.db2.gz SCPQFBCADXFCBQ-UHFFFAOYSA-N -1 3 422.963 3.517 20 0 HHADHM O=S(=O)([N-]CCCOCCc1ccccc1)c1cc(Br)ccc1F ZINC000500587109 1003801412 /nfs/dbraw/zinc/80/14/12/1003801412.db2.gz FCQSHBWBAWZHNA-UHFFFAOYSA-N -1 3 416.312 3.516 20 0 HHADHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2F)c1 ZINC000509376989 1003806478 /nfs/dbraw/zinc/80/64/78/1003806478.db2.gz VLPKJZMWUWNJNQ-UHFFFAOYSA-N -1 3 407.341 3.544 20 0 HHADHM O=S(=O)([N-][C@H]1CCCOc2ccc(F)cc21)c1cc(Br)ccc1F ZINC000500603387 1003818643 /nfs/dbraw/zinc/81/86/43/1003818643.db2.gz PQPDIVCLDKKVGB-AWEZNQCLSA-N -1 3 418.259 3.920 20 0 HHADHM C[N-]S(=O)(=O)c1cc(-c2nc([C@H](F)c3ccc(C(F)(F)F)cc3)no2)c(C)o1 ZINC000512000191 1003945158 /nfs/dbraw/zinc/94/51/58/1003945158.db2.gz RPILEQHMFMHSQV-CYBMUJFWSA-N -1 3 419.356 3.624 20 0 HHADHM Cn1ncc2c1ncc(C(=O)Nc1nc(-c3ccccc3OC(F)F)cs1)c2[O-] ZINC000512035316 1003971502 /nfs/dbraw/zinc/97/15/02/1003971502.db2.gz PFIFDMUIUPYQML-UHFFFAOYSA-N -1 3 417.397 3.651 20 0 HHADHM O=S(=O)([N-]C[C@@H]1CCN(c2ccc(F)cc2)C1)c1cc(Cl)ccc1Cl ZINC000512039845 1003974364 /nfs/dbraw/zinc/97/43/64/1003974364.db2.gz NUAGBPQDUNCKPO-LBPRGKRZSA-N -1 3 403.306 3.937 20 0 HHADHM Cc1nc2ccc([N-]S(=O)(=O)c3cc(N(C)C)ccc3Br)cc2[nH]1 ZINC000500872471 1004019151 /nfs/dbraw/zinc/01/91/51/1004019151.db2.gz BHWVKONWZJJERA-UHFFFAOYSA-N -1 3 409.309 3.501 20 0 HHADHM COc1ccc(C[C@H](C)C(=O)NCc2ccc([O-])c(Br)c2)cc1OC ZINC000512149834 1004058875 /nfs/dbraw/zinc/05/88/75/1004058875.db2.gz WBUXCCRPTYZYTP-LBPRGKRZSA-N -1 3 408.292 3.667 20 0 HHADHM CC[C@@H](C)Oc1cccc(NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)c1 ZINC000512168959 1004073211 /nfs/dbraw/zinc/07/32/11/1004073211.db2.gz WVKPLRKJYDBGMI-OAHLLOKOSA-N -1 3 406.486 3.889 20 0 HHADHM COc1ccc2c(c1)CN(C(=O)c1cnc3c(cnn3C)c1[O-])[C@@H](c1ccccc1)C2 ZINC000512170943 1004073738 /nfs/dbraw/zinc/07/37/38/1004073738.db2.gz NXSGKJWUKVSZGL-OAQYLSRUSA-N -1 3 414.465 3.622 20 0 HHADHM O=C([N-]CC(F)(F)F)C(=O)Nc1cc(Cl)c(OCC(F)(F)F)c(Cl)c1 ZINC000501026412 1004129836 /nfs/dbraw/zinc/12/98/36/1004129836.db2.gz ICIKBCLHRRGUFC-UHFFFAOYSA-N -1 3 413.101 3.552 20 0 HHADHM CCN(C[C@@H]1COc2ccccc2O1)C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000509867498 1004162671 /nfs/dbraw/zinc/16/26/71/1004162671.db2.gz GXBJELXCSMXKOF-GOSISDBHSA-N -1 3 420.469 3.851 20 0 HHADHM O=c1nc(CN2CCC[C@](O)(C(F)(F)F)CC2)[n-]c2scc(-c3ccco3)c21 ZINC000512279378 1004180061 /nfs/dbraw/zinc/18/00/61/1004180061.db2.gz SHWOUUOKKYRZMY-QGZVFWFLSA-N -1 3 413.421 3.936 20 0 HHADHM O=C(N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000509939409 1004219979 /nfs/dbraw/zinc/21/99/79/1004219979.db2.gz MFJPEMLLGGKJTK-DYVFJYSZSA-N -1 3 402.372 3.655 20 0 HHADHM COc1cc(C(=O)N2CCc3c(Br)cccc3[C@@H]2C)cc(OC)c1[O-] ZINC000509944248 1004223368 /nfs/dbraw/zinc/22/33/68/1004223368.db2.gz OOTZWVRSDASKAE-NSHDSACASA-N -1 3 406.276 3.931 20 0 HHADHM CC(C)n1ncc2c1C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)CC2 ZINC000509984205 1004246917 /nfs/dbraw/zinc/24/69/17/1004246917.db2.gz DNCHFKYLWVWALT-ZDUSSCGKSA-N -1 3 421.872 3.972 20 0 HHADHM CO[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Br)c1ccccc1 ZINC000510305618 1004466327 /nfs/dbraw/zinc/46/63/27/1004466327.db2.gz FUYPRQMXQBETGI-AWEZNQCLSA-N -1 3 404.713 3.769 20 0 HHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)Nc2ccc3c(c2)COC3)CC1 ZINC000510310680 1004470446 /nfs/dbraw/zinc/47/04/46/1004470446.db2.gz LRUZRUWXAFEZKG-UHFFFAOYSA-N -1 3 415.877 3.958 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)Nc1cnn(CC(C)C)c1C(C)C ZINC000501595502 1004540600 /nfs/dbraw/zinc/54/06/00/1004540600.db2.gz SLSDDDCPWXKDQL-UHFFFAOYSA-N -1 3 422.533 3.688 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCO[C@@]2(CCc3ccccc32)C1 ZINC000512829244 1004587477 /nfs/dbraw/zinc/58/74/77/1004587477.db2.gz SALFGABYGQCVBW-FQEVSTJZSA-N -1 3 417.303 3.538 20 0 HHADHM CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000501724933 1004646757 /nfs/dbraw/zinc/64/67/57/1004646757.db2.gz AQJPYFZCDLNJKG-UHFFFAOYSA-N -1 3 404.253 3.546 20 0 HHADHM O=S(=O)([N-][C@@H](CCO)c1ccc(Cl)c(Cl)c1)c1cc(F)c(F)c(F)c1 ZINC000510549869 1004684788 /nfs/dbraw/zinc/68/47/88/1004684788.db2.gz FPLSFORNJBTYRF-AWEZNQCLSA-N -1 3 414.232 3.813 20 0 HHADHM Cc1nc(C)c(CCC(=O)N2CCCCC[C@@H]2c2noc(-c3ccccc3)n2)c(=O)[n-]1 ZINC000501795970 1004738799 /nfs/dbraw/zinc/73/87/99/1004738799.db2.gz LZPRZRYVVMDLGN-LJQANCHMSA-N -1 3 421.501 3.926 20 0 HHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(CCC(=O)N3CCCC3)cc2)c(C)c1 ZINC000501806765 1004748392 /nfs/dbraw/zinc/74/83/92/1004748392.db2.gz ZMWSBBJDJMJGDW-UHFFFAOYSA-N -1 3 416.543 3.750 20 0 HHADHM O=C(Cc1csc(-c2ccc(Cl)s2)n1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000513022584 1004763703 /nfs/dbraw/zinc/76/37/03/1004763703.db2.gz VTGFNVKECAGCJM-UHFFFAOYSA-N -1 3 402.892 3.886 20 0 HHADHM O=C(Cc1csc(-c2ccc(Cl)s2)n1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000513022584 1004763710 /nfs/dbraw/zinc/76/37/10/1004763710.db2.gz VTGFNVKECAGCJM-UHFFFAOYSA-N -1 3 402.892 3.886 20 0 HHADHM O=S(=O)(C[C@@H]1CCOC1)[N-]C1(c2noc(C3CCCCC3)n2)CCCCCC1 ZINC000513082187 1004796008 /nfs/dbraw/zinc/79/60/08/1004796008.db2.gz VCCJWGUVYJDVIS-MRXNPFEDSA-N -1 3 411.568 3.623 20 0 HHADHM CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)[N-][C@@H](C)c2cccc(Cl)c2)c1 ZINC000501887663 1004796054 /nfs/dbraw/zinc/79/60/54/1004796054.db2.gz IZURPTWHVFQKSI-NSHDSACASA-N -1 3 415.870 3.704 20 0 HHADHM O=S(=O)(C[C@H]1CCOC1)[N-]C1(c2noc(C3CCCCC3)n2)CCCCCC1 ZINC000513082186 1004796156 /nfs/dbraw/zinc/79/61/56/1004796156.db2.gz VCCJWGUVYJDVIS-INIZCTEOSA-N -1 3 411.568 3.623 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)N3CCO[C@@]4(CCc5ccccc54)C3)cc2)cc(=O)[n-]1 ZINC000510712275 1004811681 /nfs/dbraw/zinc/81/16/81/1004811681.db2.gz HNQFWLSETUQLMN-DEOSSOPVSA-N -1 3 416.481 3.863 20 0 HHADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000513176249 1004846029 /nfs/dbraw/zinc/84/60/29/1004846029.db2.gz PAVZCMKKXLHNGE-GXFFZTMASA-N -1 3 413.845 3.774 20 0 HHADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000513176248 1004846273 /nfs/dbraw/zinc/84/62/73/1004846273.db2.gz PAVZCMKKXLHNGE-GWCFXTLKSA-N -1 3 413.845 3.774 20 0 HHADHM 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1012786507 /nfs/dbraw/zinc/78/65/07/1012786507.db2.gz RMFFYXSRKYUKGK-JTQLQIEISA-N -1 3 409.667 3.800 20 0 HHADHM COc1cc(OC)cc(C(=O)N2CCC(C(=O)Nc3c([O-])cccc3Cl)CC2)c1 ZINC000552782368 1012787139 /nfs/dbraw/zinc/78/71/39/1012787139.db2.gz JCLLBYYOIJFMAW-UHFFFAOYSA-N -1 3 418.877 3.554 20 0 HHADHM CCN(C(=O)c1c[n-]c2ccc(I)cc2c1=O)C1CCCC1 ZINC000552790894 1012797870 /nfs/dbraw/zinc/79/78/70/1012797870.db2.gz XLRSFKNYHGWFJG-UHFFFAOYSA-N -1 3 410.255 3.537 20 0 HHADHM COc1ccc(C(C)(C)C[N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1OC ZINC000552911774 1012912146 /nfs/dbraw/zinc/91/21/46/1012912146.db2.gz PECZZFDPDBCMKI-UHFFFAOYSA-N -1 3 401.887 3.752 20 0 HHADHM Cc1cc(C)c(NC(=O)C[N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)c(C)c1 ZINC000524225800 1013036957 /nfs/dbraw/zinc/03/69/57/1013036957.db2.gz OIVXCKADPHCXHG-UHFFFAOYSA-N -1 3 414.449 3.689 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(COc3ccc4c(c3)OCO4)c2)cc1 ZINC000614839340 1071755113 /nfs/dbraw/zinc/75/51/13/1071755113.db2.gz RISKXSNBFHESDK-UHFFFAOYSA-N -1 3 413.451 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COc1cccc(Oc2ccc([N-]S(=O)(=O)c3ccc4c(c3)CC(=O)N4C)cc2)c1 ZINC000614882475 1071956407 /nfs/dbraw/zinc/95/64/07/1071956407.db2.gz XSXZHZKEMMLYGI-UHFFFAOYSA-N -1 3 424.478 3.807 20 0 HHADHM CCC(C)(C)NC(=O)c1ccc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)cc1Cl ZINC000614888360 1071963469 /nfs/dbraw/zinc/96/34/69/1071963469.db2.gz SOSWRIHMEBTTPE-UHFFFAOYSA-N -1 3 418.925 3.942 20 0 HHADHM CC(C)(C)O[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2F)C1(C)C ZINC001212134765 1072036502 /nfs/dbraw/zinc/03/65/02/1072036502.db2.gz MWBAULGZNPIFKP-UONOGXRCSA-N -1 3 408.333 3.849 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCC2(CCCC2=O)CC1 ZINC001168279573 1072225857 /nfs/dbraw/zinc/22/58/57/1072225857.db2.gz REAMAWJJFFPXTD-OAQYLSRUSA-N -1 3 420.509 3.615 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2Cl)c(Cl)n1 ZINC000760319593 1072244964 /nfs/dbraw/zinc/24/49/64/1072244964.db2.gz SOMVLYGKNWPUPN-UHFFFAOYSA-N -1 3 412.092 3.960 20 0 HHADHM CCc1cc2c(CN3CCCN(C(=O)c4cccc(C)c4)CC3)cc(=O)oc2cc1[O-] ZINC000913054434 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O=S(=O)([N-]c1cc(-c2nnc3n2CCCCC3)ccc1F)c1ccc(F)c(F)c1 ZINC000524330841 1013152552 /nfs/dbraw/zinc/15/25/52/1013152552.db2.gz HAECDDAIGHLNDC-UHFFFAOYSA-N -1 3 422.432 3.890 20 0 HHADHM Cc1cnc(C(=O)N(Cc2ccncc2)[C@@H]2CCCN(Cc3ccccc3)C2)c([O-])c1 ZINC000553197403 1013156136 /nfs/dbraw/zinc/15/61/36/1013156136.db2.gz JPBHBGWGEAIHJU-JOCHJYFZSA-N -1 3 416.525 3.798 20 0 HHADHM C[C@H](CC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1cccc(C(F)(F)F)c1 ZINC000303852022 972392200 /nfs/dbraw/zinc/39/22/00/972392200.db2.gz VCTWUMMZQUGQDJ-OAHLLOKOSA-N -1 3 420.431 3.889 20 0 HHADHM Cc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(OCC(F)F)cc3)c2)n1 ZINC000542236503 1013194126 /nfs/dbraw/zinc/19/41/26/1013194126.db2.gz HXBSBMKVQMPUPM-UHFFFAOYSA-N -1 3 409.414 3.798 20 0 HHADHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1F ZINC000003031012 960476598 /nfs/dbraw/zinc/47/65/98/960476598.db2.gz SQVUWQDEROWEPZ-UHFFFAOYSA-N -1 3 403.262 3.849 20 0 HHADHM CCOC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)c1C 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400.422 3.705 20 0 HHADHM Cc1nc(C)c(CC(=O)Nc2ncc(Cc3ccc(C)c(Cl)c3)s2)c(=O)[n-]1 ZINC000031275628 965966475 /nfs/dbraw/zinc/96/64/75/965966475.db2.gz PBPBENMPSDEANI-UHFFFAOYSA-N -1 3 402.907 3.577 20 0 HHADHM COc1cc(C(=O)O[C@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)cc2c1O[C@@H](C)C2 ZINC000031322761 965981151 /nfs/dbraw/zinc/98/11/51/965981151.db2.gz LFELJCIGQNVDQK-GXSJLCMTSA-N -1 3 414.483 3.851 20 0 HHADHM COCCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c3ccccc32)c(C)c1 ZINC000055643399 965987308 /nfs/dbraw/zinc/98/73/08/965987308.db2.gz AICMSCYLCIGGIG-UHFFFAOYSA-N -1 3 401.484 3.983 20 0 HHADHM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(OC(C)C)cc3C)cc2C[C@H]1C ZINC000055652241 965999344 /nfs/dbraw/zinc/99/93/44/965999344.db2.gz SUPCEPRDVBAWNZ-OAHLLOKOSA-N -1 3 402.516 3.881 20 0 HHADHM Cc1ccc(C(=O)COC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)cc1C ZINC000031514652 966039696 /nfs/dbraw/zinc/03/96/96/966039696.db2.gz NZCQTDXMUPFNQE-UHFFFAOYSA-N -1 3 421.490 3.559 20 0 HHADHM 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1013680752 /nfs/dbraw/zinc/68/07/52/1013680752.db2.gz UQUZOLGIOZDAMP-JTQLQIEISA-N -1 3 423.441 3.532 20 0 HHADHM O=C(Nc1cccc(C/N=C/c2cc(Br)ccc2[O-])c1)[C@H]1CCCO1 ZINC000063427530 966853437 /nfs/dbraw/zinc/85/34/37/966853437.db2.gz LTFYIXDNGLHFBX-AGKWGAAGSA-N -1 3 403.276 3.891 20 0 HHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)NCCc2ccccc2)CC1 ZINC000042863401 966860284 /nfs/dbraw/zinc/86/02/84/966860284.db2.gz LBXLHLKATSMYOO-UHFFFAOYSA-N -1 3 401.894 3.648 20 0 HHADHM CC(C)(CNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1cccc(Cl)c1 ZINC000063624311 966908133 /nfs/dbraw/zinc/90/81/33/966908133.db2.gz SZDLUTKMFRDHBJ-UHFFFAOYSA-N -1 3 424.925 3.627 20 0 HHADHM O=C(N[N-]C(=O)c1ccccc1Br)N[C@H]1CCSc2ccccc21 ZINC000043167738 966922870 /nfs/dbraw/zinc/92/28/70/966922870.db2.gz SXWPPEMPABSWAC-AWEZNQCLSA-N -1 3 406.305 3.630 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NCc2cccc3ccccc32)cc1OC ZINC000063776775 966954683 /nfs/dbraw/zinc/95/46/83/966954683.db2.gz GEJYQJANNOBEOK-UHFFFAOYSA-N -1 3 413.499 3.932 20 0 HHADHM CCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2C)cc1 ZINC000063849020 966976636 /nfs/dbraw/zinc/97/66/36/966976636.db2.gz OOVGWFVJDRJRJA-UHFFFAOYSA-N -1 3 402.925 3.601 20 0 HHADHM CCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)cc1 ZINC000063849022 966976682 /nfs/dbraw/zinc/97/66/82/966976682.db2.gz KNXDTLAFCIXXEU-UHFFFAOYSA-N -1 3 402.925 3.601 20 0 HHADHM C[C@@H](NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1)c1cccnc1 ZINC000043786376 967033631 /nfs/dbraw/zinc/03/36/31/967033631.db2.gz WRWDGSQPRFPCRX-CYBMUJFWSA-N -1 3 402.882 3.562 20 0 HHADHM CC(=O)Nc1ccc(F)c(C(=O)O[C@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)c1 ZINC000064086873 967043238 /nfs/dbraw/zinc/04/32/38/967043238.db2.gz UUISGCFKYWJRRY-SECBINFHSA-N -1 3 403.435 3.617 20 0 HHADHM COc1ccccc1-c1nc(COC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cs1 ZINC000043901602 967070292 /nfs/dbraw/zinc/07/02/92/967070292.db2.gz UMACKFHNYBLXKC-UHFFFAOYSA-N -1 3 418.496 3.547 20 0 HHADHM Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000064342542 967148807 /nfs/dbraw/zinc/14/88/07/967148807.db2.gz ZJZWRVFOPGPPAJ-UHFFFAOYSA-N -1 3 407.518 3.786 20 0 HHADHM CCCCNC(=O)N[N-]C(=O)c1cccnc1Sc1ccc(Br)cc1 ZINC000064884334 967319988 /nfs/dbraw/zinc/31/99/88/967319988.db2.gz SXRURVVUOWOWDI-UHFFFAOYSA-N -1 3 423.336 3.739 20 0 HHADHM CO[C@H](C)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(OCCC(C)C)cc2)c1 ZINC000064938096 967332289 /nfs/dbraw/zinc/33/22/89/967332289.db2.gz CODPDPYAJJIPSY-MRXNPFEDSA-N -1 3 420.531 3.886 20 0 HHADHM CN(CC[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)Cc1ccccc1 ZINC000064958278 967338387 /nfs/dbraw/zinc/33/83/87/967338387.db2.gz GSNNGWYKPDSBSB-UHFFFAOYSA-N -1 3 406.857 3.769 20 0 HHADHM O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)[N-]OCc1ccccc1 ZINC000045217860 967383026 /nfs/dbraw/zinc/38/30/26/967383026.db2.gz CHKZXBMIRPVGCX-VBKFSLOCSA-N -1 3 418.565 3.978 20 0 HHADHM Cc1ccccc1-n1nccc1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000538157942 1013719084 /nfs/dbraw/zinc/71/90/84/1013719084.db2.gz NYUWJBQKSVHCRT-UHFFFAOYSA-N -1 3 401.264 3.971 20 0 HHADHM 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/nfs/dbraw/zinc/81/32/84/967813284.db2.gz NTCXCOGDMPRXII-UHFFFAOYSA-N -1 3 406.467 3.924 20 0 HHADHM CSc1ccccc1NC(=O)CN(C)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000046556719 967858429 /nfs/dbraw/zinc/85/84/29/967858429.db2.gz DUUATDRMUAFSNH-UHFFFAOYSA-N -1 3 408.483 3.874 20 0 HHADHM CCCc1noc2nc(C3CC3)cc(C(=O)N[N-]C(=O)c3ccc4ccccc4n3)c12 ZINC000046572084 967863767 /nfs/dbraw/zinc/86/37/67/967863767.db2.gz DGJJYYQLDPGJRU-UHFFFAOYSA-N -1 3 415.453 3.676 20 0 HHADHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(OCC)c(Cl)c2)ccc1F ZINC000046668482 967911469 /nfs/dbraw/zinc/91/14/69/967911469.db2.gz XNNSZHXUBHOXLF-UHFFFAOYSA-N -1 3 412.870 3.594 20 0 HHADHM O=C(NC[C@@H]1CCCc2ccccc21)N[N-]C(=O)c1ccccc1Br ZINC000046939381 968014555 /nfs/dbraw/zinc/01/45/55/968014555.db2.gz CPGPJKMKGKFLLU-AWEZNQCLSA-N -1 3 402.292 3.513 20 0 HHADHM O=C(NCc1cccc(Oc2ccccc2)c1)N[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000047051151 968041792 /nfs/dbraw/zinc/04/17/92/968041792.db2.gz LDIRXAGIKAUCLQ-UHFFFAOYSA-N -1 3 406.398 3.531 20 0 HHADHM CCNC(=O)c1cccc(CNC(=O)NN=c2[n-]c(Cl)c(Cl)cc2Cl)c1 ZINC000047125274 968060276 /nfs/dbraw/zinc/06/02/76/968060276.db2.gz DGLIWBVHLLGRLD-UHFFFAOYSA-N -1 3 416.696 3.618 20 0 HHADHM CC[C@H](CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)c1ccccc1 ZINC000047271185 968113928 /nfs/dbraw/zinc/11/39/28/968113928.db2.gz AXZWOZDJRNYSLC-OAHLLOKOSA-N -1 3 415.490 3.878 20 0 HHADHM Cc1ccc([N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)c(Br)c1 ZINC000047329407 968140787 /nfs/dbraw/zinc/14/07/87/968140787.db2.gz BXXFCCISMNKCCO-UHFFFAOYSA-N -1 3 413.268 3.582 20 0 HHADHM Cc1cc(O[C@H](C)C(=O)N[N-]C(=O)c2ccccc2Br)ccc1Cl ZINC000048169697 968467990 /nfs/dbraw/zinc/46/79/90/968467990.db2.gz AURHRRODHSPCKX-LLVKDONJSA-N -1 3 411.683 3.639 20 0 HHADHM C[C@H](c1ccc(F)cc1)N(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000048281872 968510576 /nfs/dbraw/zinc/51/05/76/968510576.db2.gz MWWSODOJJVCUSF-CYBMUJFWSA-N -1 3 419.453 3.927 20 0 HHADHM COc1ccc(OC)c(-c2csc(NC(=O)c3cc4c(cc3[O-])OCO4)n2)c1 ZINC000048358725 968528870 /nfs/dbraw/zinc/52/88/70/968528870.db2.gz DXHZJMLPNZNCFD-UHFFFAOYSA-N -1 3 400.412 3.514 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)CCSc2ccccc2F)cc1OC ZINC000065658774 968577422 /nfs/dbraw/zinc/57/74/22/968577422.db2.gz NRAIGGNCAYIYDH-UHFFFAOYSA-N -1 3 412.508 3.717 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@H](c1ccccc1)C(C)(C)C ZINC000065737610 968619126 /nfs/dbraw/zinc/61/91/26/968619126.db2.gz YTIQMPLTRUEWLO-NRFANRHFSA-N -1 3 404.514 3.977 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N(C)[C@@H](C)c2ccc(F)cc2)cc1OC ZINC000065770171 968633748 /nfs/dbraw/zinc/63/37/48/968633748.db2.gz QXGOBVMMTZVXGZ-ZDUSSCGKSA-N -1 3 409.483 3.821 20 0 HHADHM COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cc1Cc1ccccc1 ZINC000065770177 968634882 /nfs/dbraw/zinc/63/48/82/968634882.db2.gz MHZQGAOHTGWZEE-UHFFFAOYSA-N -1 3 401.422 3.814 20 0 HHADHM CCN(CCc1ccccc1)C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000065800977 968650398 /nfs/dbraw/zinc/65/03/98/968650398.db2.gz HBZSLPVXSXPLIF-UHFFFAOYSA-N -1 3 405.520 3.553 20 0 HHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)Nc2cccnc2Cl)CC1 ZINC000065801891 968650491 /nfs/dbraw/zinc/65/04/91/968650491.db2.gz SQDJMWWOVRYATO-UHFFFAOYSA-N -1 3 409.273 3.977 20 0 HHADHM COc1cccc([C@@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)N(C)C)c1 ZINC000069090444 968812665 /nfs/dbraw/zinc/81/26/65/968812665.db2.gz LDECBRYXSMTZDY-MRXNPFEDSA-N -1 3 403.331 3.583 20 0 HHADHM COc1cccc([C@@H](C[N-]S(=O)(=O)c2ccc(Cl)s2)N2CCCC2)c1 ZINC000069098927 968814088 /nfs/dbraw/zinc/81/40/88/968814088.db2.gz SBQZMHAWJOEBJH-OAHLLOKOSA-N -1 3 400.953 3.526 20 0 HHADHM COc1cccc([C@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2F)N2CCCC2)c1 ZINC000069098978 968814210 /nfs/dbraw/zinc/81/42/10/968814210.db2.gz AZWYKAOPAMSYPR-SFHVURJKSA-N -1 3 412.914 3.603 20 0 HHADHM C[C@@H](CCc1ccco1)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000069569371 968839288 /nfs/dbraw/zinc/83/92/88/968839288.db2.gz WJXNFOXXGPWFQK-HNNXBMFYSA-N -1 3 416.474 3.971 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3cccn3C)ccc2C)cc1 ZINC000071832375 968867941 /nfs/dbraw/zinc/86/79/41/968867941.db2.gz KNISLGDPTVOKRJ-UHFFFAOYSA-N -1 3 413.499 3.785 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(Br)cc2C)cc1OC ZINC000071869690 968877702 /nfs/dbraw/zinc/87/77/02/968877702.db2.gz BWFAUHHWYUEYIT-UHFFFAOYSA-N -1 3 400.294 3.884 20 0 HHADHM O=C(N[C@H](Cc1cccc(F)c1)c1cccc(F)c1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000078549412 969003589 /nfs/dbraw/zinc/00/35/89/969003589.db2.gz DLLREBSIYCQUCQ-HXUWFJFHSA-N -1 3 406.388 3.562 20 0 HHADHM O=S(=O)([N-]Cc1cc(Br)cs1)c1cnc(Cl)c(Cl)c1 ZINC000083935211 969036476 /nfs/dbraw/zinc/03/64/76/969036476.db2.gz YDGXNFIUSWIHOP-UHFFFAOYSA-N -1 3 402.122 3.691 20 0 HHADHM Cc1ccc(NC(=O)c2cc(S(=O)(=O)[N-]CC(C)C)c(Cl)cc2Cl)nc1 ZINC000098077222 969192541 /nfs/dbraw/zinc/19/25/41/969192541.db2.gz VFHSUCRBPNXRER-UHFFFAOYSA-N -1 3 416.330 3.883 20 0 HHADHM CC(C)C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccncc2)c(Cl)cc1Cl ZINC000098078473 969192866 /nfs/dbraw/zinc/19/28/66/969192866.db2.gz SYGPPCXHLCPQHI-UHFFFAOYSA-N -1 3 402.303 3.575 20 0 HHADHM C[C@H](Oc1ccc(Cl)cc1Br)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000105896899 969271755 /nfs/dbraw/zinc/27/17/55/969271755.db2.gz RKHKOPIQYJXCBL-YFKPBYRVSA-N -1 3 413.581 3.645 20 0 HHADHM C[C@H](Oc1ccc(Cl)cc1Br)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000105896899 969271761 /nfs/dbraw/zinc/27/17/61/969271761.db2.gz RKHKOPIQYJXCBL-YFKPBYRVSA-N -1 3 413.581 3.645 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccc3nc(Cl)ccc3c2)cc1OC ZINC000108580661 969396846 /nfs/dbraw/zinc/39/68/46/969396846.db2.gz BXLMYLQPLXVPRP-UHFFFAOYSA-N -1 3 419.890 3.911 20 0 HHADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000109040924 969454235 /nfs/dbraw/zinc/45/42/35/969454235.db2.gz XIMAZRQVJONQTN-GOSISDBHSA-N -1 3 413.271 3.504 20 0 HHADHM COc1ccc(-c2nc([N-]C(=O)c3occc3COc3ccccc3)n[nH]2)c(OC)c1 ZINC000109852740 969577464 /nfs/dbraw/zinc/57/74/64/969577464.db2.gz ODYRYBDGHGVNCW-UHFFFAOYSA-N -1 3 420.425 3.913 20 0 HHADHM Cc1sc2ncn([N-]C(=O)c3cccc4c3OCO4)c(=O)c2c1-c1ccccc1 ZINC000110874952 969732833 /nfs/dbraw/zinc/73/28/33/969732833.db2.gz NPDLVBKXANUTGP-UHFFFAOYSA-N -1 3 405.435 3.546 20 0 HHADHM C[C@H](NC(=O)c1ccc(Br)s1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000111210825 969804250 /nfs/dbraw/zinc/80/42/50/969804250.db2.gz FCVOEDJUPYNTOE-ZETCQYMHSA-N -1 3 403.685 3.627 20 0 HHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)/C=C/c1cccc(F)c1 ZINC000112553159 969815885 /nfs/dbraw/zinc/81/58/85/969815885.db2.gz NWEDEXOAWLOUPQ-VMPITWQZSA-N -1 3 402.369 3.868 20 0 HHADHM O=C(COC(=O)c1cc(-c2ccco2)[n-]n1)N[C@@H](c1cccs1)c1ccccc1 ZINC000115646695 969845968 /nfs/dbraw/zinc/84/59/68/969845968.db2.gz COCZSPQYYNIIBI-HXUWFJFHSA-N -1 3 407.451 3.794 20 0 HHADHM O=C(COC(=O)c1cc(-c2ccco2)n[n-]1)N[C@@H](c1cccs1)c1ccccc1 ZINC000115646695 969845976 /nfs/dbraw/zinc/84/59/76/969845976.db2.gz COCZSPQYYNIIBI-HXUWFJFHSA-N -1 3 407.451 3.794 20 0 HHADHM O=C(Nc1nc2cc(F)c(F)cc2s1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000116783837 969922691 /nfs/dbraw/zinc/92/26/91/969922691.db2.gz CHMKHBDXEBLCQJ-AWEZNQCLSA-N -1 3 403.410 3.523 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccc(OC)c3ccccc23)cc1OC ZINC000117687654 969963761 /nfs/dbraw/zinc/96/37/61/969963761.db2.gz IOPZWVNENRJYTM-UHFFFAOYSA-N -1 3 414.483 3.871 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CCC[C@H]2c2ccc(O)cc2)cc1OC ZINC000138538295 970000751 /nfs/dbraw/zinc/00/07/51/970000751.db2.gz LVGZDIDDWIQVBI-SFHVURJKSA-N -1 3 419.503 3.531 20 0 HHADHM O=C(N[C@@H]1C[C@@H]1c1ccccc1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000138980413 970018121 /nfs/dbraw/zinc/01/81/21/970018121.db2.gz OJMRDESURCJFIJ-WIYYLYMNSA-N -1 3 410.470 3.912 20 0 HHADHM C=CCN(CC=C)C(=O)c1cc(S(=O)(=O)[N-]CC(C)C)c(Cl)cc1Cl ZINC000215924517 970056825 /nfs/dbraw/zinc/05/68/25/970056825.db2.gz DSEWDLZWDFCRPP-UHFFFAOYSA-N -1 3 405.347 3.742 20 0 HHADHM O=C(c1ccccc1)N1CCCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000216600333 970079233 /nfs/dbraw/zinc/07/92/33/970079233.db2.gz IMVAHVMHMJWTQX-UHFFFAOYSA-N -1 3 414.505 3.971 20 0 HHADHM O=S(=O)([N-]c1cc(F)ccc1Br)c1cncc(Br)c1 ZINC000236150162 970141301 /nfs/dbraw/zinc/14/13/01/970141301.db2.gz UMFLIIAKXCTAEI-UHFFFAOYSA-N -1 3 410.062 3.547 20 0 HHADHM CCOC(=O)c1ccc(NC(=O)C(C#N)=C([O-])c2sc(C(C)(C)C)nc2C)cc1 ZINC000147140575 970320030 /nfs/dbraw/zinc/32/00/30/970320030.db2.gz HHPYEBVWKRDARW-HNNXBMFYSA-N -1 3 413.499 3.887 20 0 HHADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CCC(C2CCOCC2)CC1 ZINC000554575162 1013980785 /nfs/dbraw/zinc/98/07/85/1013980785.db2.gz JKQRNIBGVXIAEF-UHFFFAOYSA-N -1 3 419.319 3.569 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCCc1ccc(F)cc1F ZINC000554602880 1013987163 /nfs/dbraw/zinc/98/71/63/1013987163.db2.gz AKKLTXGYGKKURW-QFIPXVFZSA-N -1 3 424.447 3.891 20 0 HHADHM C[C@@H]1CN(C(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)[C@H]2CCCC[C@H]12 ZINC000554663209 1014004853 /nfs/dbraw/zinc/00/48/53/1014004853.db2.gz BCUKRTNUUIRDHV-IOASZLSFSA-N -1 3 419.374 3.699 20 0 HHADHM O=C([O-])[C@H]1CC[C@H](CNCc2ncc(Br)cc2Br)CC1 ZINC000253144688 970557844 /nfs/dbraw/zinc/55/78/44/970557844.db2.gz ZCVGRDQKOWGGOT-MGCOHNPYSA-N -1 3 406.118 3.587 20 0 HHADHM CCOC(=O)C1CCC([N-]S(=O)(=O)c2c(Cl)cccc2Br)CC1 ZINC000323782284 972715217 /nfs/dbraw/zinc/71/52/17/972715217.db2.gz GRMWFBKXGJHGPS-UHFFFAOYSA-N -1 3 424.744 3.503 20 0 HHADHM Cc1cnc(Br)c([N-]S(=O)(=O)c2ccc(Br)c(F)c2)c1 ZINC000380576847 972776954 /nfs/dbraw/zinc/77/69/54/972776954.db2.gz VEXBSNIMRQDRQT-UHFFFAOYSA-N -1 3 424.089 3.855 20 0 HHADHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H](C)c2ccc(OCC(F)(F)F)cc2)c1 ZINC000409457316 972902056 /nfs/dbraw/zinc/90/20/56/972902056.db2.gz KMKVIUMCFYSOCM-JTQLQIEISA-N -1 3 423.434 3.515 20 0 HHADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H](c2ccccc2)c2ccc(F)cc2)c1 ZINC000409467341 972914174 /nfs/dbraw/zinc/91/41/74/972914174.db2.gz ZQGKIFPQXKKWCZ-GOSISDBHSA-N -1 3 405.472 3.742 20 0 HHADHM CC(C)(Cc1nc2ccccc2[nH]1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000409849241 973317641 /nfs/dbraw/zinc/31/76/41/973317641.db2.gz GTPNHQMQYXUIDF-UHFFFAOYSA-N -1 3 402.292 3.916 20 0 HHADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]CC1CCC(F)(F)CC1 ZINC000409893937 973357090 /nfs/dbraw/zinc/35/70/90/973357090.db2.gz BEWGLTKYDYKHRN-UHFFFAOYSA-N -1 3 416.259 3.701 20 0 HHADHM COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2cccc(-c3nc(C)cs3)c2)c1 ZINC000410339154 973923412 /nfs/dbraw/zinc/92/34/12/973923412.db2.gz WWRMCKASVZNKNU-UHFFFAOYSA-N -1 3 406.460 3.845 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)Cn3ncc4ccccc43)cc2)cc1 ZINC000410426860 974023345 /nfs/dbraw/zinc/02/33/45/974023345.db2.gz RUCMNWBNJPCIIF-UHFFFAOYSA-N -1 3 420.494 3.784 20 0 HHADHM Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(F)cc2I)c1 ZINC000426004205 974118867 /nfs/dbraw/zinc/11/88/67/974118867.db2.gz NPRZIZBTOGNUJR-UHFFFAOYSA-N -1 3 409.195 3.679 20 0 HHADHM CC(C)(C)OC(=O)[C@@H]1CCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C1 ZINC000426181105 974292232 /nfs/dbraw/zinc/29/22/32/974292232.db2.gz WUDXROKUXGOOCI-GFCCVEGCSA-N -1 3 401.488 3.821 20 0 HHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccccc3N3C[C@H](C)O[C@@H](C)C3)c[n-]c12 ZINC000426216171 974318939 /nfs/dbraw/zinc/31/89/39/974318939.db2.gz UATKBUUNLGHJAV-GJZGRUSLSA-N -1 3 409.461 3.842 20 0 HHADHM COC(=O)c1ccc(-c2nc(-c3ccc(Br)cc3OC(F)F)no2)[n-]1 ZINC000426457138 974462778 /nfs/dbraw/zinc/46/27/78/974462778.db2.gz FLMFCXQBWMQPCJ-UHFFFAOYSA-N -1 3 414.162 3.882 20 0 HHADHM COc1cc(C[NH2+]C[C@H](Cc2cccc(C)c2)C(=O)[O-])cc(Br)c1[O-] ZINC000426630332 974572428 /nfs/dbraw/zinc/57/24/28/974572428.db2.gz INPRRYRDKSJTNX-HNNXBMFYSA-N -1 3 408.292 3.505 20 0 HHADHM COc1cc(C[NH2+]C[C@H](Cc2ccccc2C)C(=O)[O-])cc(Br)c1[O-] ZINC000426653387 974584437 /nfs/dbraw/zinc/58/44/37/974584437.db2.gz BDWVNYABUACTBO-HNNXBMFYSA-N -1 3 408.292 3.505 20 0 HHADHM Cc1nn(-c2ccc(Cl)cc2)cc1CNC[C@@H](Oc1ccc(F)cc1)C(=O)[O-] ZINC000426658702 974587125 /nfs/dbraw/zinc/58/71/25/974587125.db2.gz XDUBBKIXFUDCFQ-LJQANCHMSA-N -1 3 403.841 3.595 20 0 HHADHM CC(C)(C)[C@@H](CNCc1ncc(Br)cc1Br)CC(=O)[O-] ZINC000426674678 974594696 /nfs/dbraw/zinc/59/46/96/974594696.db2.gz LPQBZMJPVLKSDR-SECBINFHSA-N -1 3 408.134 3.833 20 0 HHADHM CC(C)C[C@H](CNCc1ncc(Br)cc1Br)CC(=O)[O-] ZINC000426715236 974611320 /nfs/dbraw/zinc/61/13/20/974611320.db2.gz QHOUMBLENJLQIR-JTQLQIEISA-N -1 3 408.134 3.833 20 0 HHADHM O=C([O-])[C@H](CSCCOc1ccccc1)NCc1cc(Cl)cc2c1OCC2 ZINC000426722324 974616243 /nfs/dbraw/zinc/61/62/43/974616243.db2.gz HGTCWPHUXGKUTD-SFHVURJKSA-N -1 3 407.919 3.630 20 0 HHADHM COc1ccc(OC)c(CN[C@H](CSCc2cccc3cccnc32)C(=O)[O-])c1 ZINC000426736494 974625126 /nfs/dbraw/zinc/62/51/26/974625126.db2.gz JHXHWJOBWIOUNO-LJQANCHMSA-N -1 3 412.511 3.728 20 0 HHADHM Cc1cccc([C@@H](NCc2cc(Br)c3c(c2)OCCO3)C(=O)[O-])c1C ZINC000426739594 974626437 /nfs/dbraw/zinc/62/64/37/974626437.db2.gz DHHMHDGGNHQXJW-QGZVFWFLSA-N -1 3 406.276 3.753 20 0 HHADHM COc1cccc(CSC[C@H](NCc2sccc2Br)C(=O)[O-])c1 ZINC000426755056 974637295 /nfs/dbraw/zinc/63/72/95/974637295.db2.gz WHBCFLJLLJZVOG-AWEZNQCLSA-N -1 3 416.362 3.995 20 0 HHADHM Cc1ccccc1COc1cccc(CC(=O)Nc2ccc(Cc3nnn[n-]3)cc2)c1 ZINC000427068247 974873344 /nfs/dbraw/zinc/87/33/44/974873344.db2.gz XUMOJFTXJVXTDU-UHFFFAOYSA-N -1 3 413.481 3.859 20 0 HHADHM Cc1ccccc1COc1cccc(CC(=O)Nc2ccc(Cc3nn[n-]n3)cc2)c1 ZINC000427068247 974873349 /nfs/dbraw/zinc/87/33/49/974873349.db2.gz XUMOJFTXJVXTDU-UHFFFAOYSA-N -1 3 413.481 3.859 20 0 HHADHM CC(C)(C)Cc1nc(-c2cccc(C(=O)Nc3ccc(Cc4nnn[n-]4)cc3)c2)no1 ZINC000427070327 974876415 /nfs/dbraw/zinc/87/64/15/974876415.db2.gz TXMKLHLLCZZRGI-UHFFFAOYSA-N -1 3 417.473 3.681 20 0 HHADHM CC(C)(C)Cc1nc(-c2cccc(C(=O)Nc3ccc(Cc4nn[n-]n4)cc3)c2)no1 ZINC000427070327 974876422 /nfs/dbraw/zinc/87/64/22/974876422.db2.gz TXMKLHLLCZZRGI-UHFFFAOYSA-N -1 3 417.473 3.681 20 0 HHADHM CCCn1c(C)c(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)c2cc(OC)ccc21 ZINC000427084898 974890159 /nfs/dbraw/zinc/89/01/59/974890159.db2.gz OLVCMAIYXMRJQQ-UHFFFAOYSA-N -1 3 404.474 3.725 20 0 HHADHM CCCn1c(C)c(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)c2cc(OC)ccc21 ZINC000427084898 974890162 /nfs/dbraw/zinc/89/01/62/974890162.db2.gz OLVCMAIYXMRJQQ-UHFFFAOYSA-N -1 3 404.474 3.725 20 0 HHADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1 ZINC000427155996 974945581 /nfs/dbraw/zinc/94/55/81/974945581.db2.gz UWRWNIJLKNGEHP-UHFFFAOYSA-N -1 3 407.213 3.943 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCC3(C)CCC3)ccc2C)cc1 ZINC000427225646 974989809 /nfs/dbraw/zinc/98/98/09/974989809.db2.gz PIYWGHYSUYCGCG-UHFFFAOYSA-N -1 3 402.516 3.724 20 0 HHADHM CC[S@](=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000427263260 975012305 /nfs/dbraw/zinc/01/23/05/975012305.db2.gz RPEJEQGSYFEDNQ-ZBWQRKBMSA-N -1 3 417.902 3.717 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N1CCS[C@@H](C)CC1 ZINC000427923585 975351734 /nfs/dbraw/zinc/35/17/34/975351734.db2.gz NTJIXCOOGDCWGB-HNNXBMFYSA-N -1 3 422.547 3.903 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H]3[C@@H]4CCC[C@@H]43)c2)cc1 ZINC000428096048 975432621 /nfs/dbraw/zinc/43/26/21/975432621.db2.gz ZMZNWABIRQRNBX-CEQLMSFQSA-N -1 3 414.527 3.723 20 0 HHADHM O=S(=O)([N-]C[C@@]1(CO)C[C@H]1c1ccc(F)cc1)c1cccc(Cl)c1Cl ZINC000428375403 975697214 /nfs/dbraw/zinc/69/72/14/975697214.db2.gz CENIJCRXPJQRMC-SUMWQHHRSA-N -1 3 404.290 3.577 20 0 HHADHM Cc1ncn(-c2ccc(NC(=O)Cc3c(C)nc(-c4cccnc4)[n-]c3=O)cc2)c1C ZINC000428583357 975894269 /nfs/dbraw/zinc/89/42/69/975894269.db2.gz MQFJCSPCJLFGEA-UHFFFAOYSA-N -1 3 414.469 3.536 20 0 HHADHM Cc1c(C(=O)NCc2ccc([O-])c(Br)c2)cnn1-c1ccccc1C ZINC000428863857 976154496 /nfs/dbraw/zinc/15/44/96/976154496.db2.gz RYAJCJXXSXMVIB-UHFFFAOYSA-N -1 3 400.276 3.887 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)[C@H]1CCCCN1C(=O)c1cccs1 ZINC000428870326 976160556 /nfs/dbraw/zinc/16/05/56/976160556.db2.gz DQGBRBWMMSKZHW-CQSZACIVSA-N -1 3 423.332 3.527 20 0 HHADHM Cc1ccccc1C1(C(=O)NCc2ccc([O-])c(Br)c2)CCOCC1 ZINC000428871642 976161613 /nfs/dbraw/zinc/16/16/13/976161613.db2.gz LEGWVHZHBWHMMX-UHFFFAOYSA-N -1 3 404.304 3.828 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ncc(F)cc3F)cc2)cc1 ZINC000429437580 976716088 /nfs/dbraw/zinc/71/60/88/976716088.db2.gz YVTNJCNMUIOICQ-UHFFFAOYSA-N -1 3 403.410 3.721 20 0 HHADHM CCc1nc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2Br)sc1C ZINC000429834253 977104380 /nfs/dbraw/zinc/10/43/80/977104380.db2.gz YPSWCHDUPQGBNE-UHFFFAOYSA-N -1 3 423.785 3.951 20 0 HHADHM C[C@H](Cc1cccc(O)c1)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429838224 977108201 /nfs/dbraw/zinc/10/82/01/977108201.db2.gz NRZYBKAYAPBVER-SNVBAGLBSA-N -1 3 404.713 3.718 20 0 HHADHM CC(C)C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Br)CCO1 ZINC000429841095 977112393 /nfs/dbraw/zinc/11/23/93/977112393.db2.gz DBBZOHAJVVKUJK-OLZOCXBDSA-N -1 3 410.761 3.975 20 0 HHADHM CC(C)c1noc(CCC[N-]S(=O)(=O)c2cc(Cl)ccc2Br)n1 ZINC000429842925 977113858 /nfs/dbraw/zinc/11/38/58/977113858.db2.gz UIOZPYDAQNXDGU-UHFFFAOYSA-N -1 3 422.732 3.520 20 0 HHADHM O=S(=O)([N-]CCC[C@H]1CCCC[C@H]1O)c1cc(Cl)ccc1Br ZINC000429856289 977127496 /nfs/dbraw/zinc/12/74/96/977127496.db2.gz HEKZVFBHIRUBKO-BXUZGUMPSA-N -1 3 410.761 3.712 20 0 HHADHM Cc1nc([C@@H]([N-]S(=O)(=O)c2c(C)cc(F)cc2C)c2ccc(Cl)cc2)no1 ZINC000429870088 977144124 /nfs/dbraw/zinc/14/41/24/977144124.db2.gz XAAAJDUACCWUPY-INIZCTEOSA-N -1 3 409.870 3.855 20 0 HHADHM C[C@@H]1C[C@]2(CCO1)CN(Cc1nc(=O)c3c(-c4ccco4)csc3[n-]1)C[C@@H](C)O2 ZINC000430263595 977430979 /nfs/dbraw/zinc/43/09/79/977430979.db2.gz YGSKISLLLWZNLS-ZMOMAAQPSA-N -1 3 415.515 3.815 20 0 HHADHM O=C(c1c[n-]c2c(Cl)cc(Br)cc2c1=O)N1CCc2ncsc2C1 ZINC000430631010 977661109 /nfs/dbraw/zinc/66/11/09/977661109.db2.gz SSUWTFACJXBFSZ-UHFFFAOYSA-N -1 3 424.707 3.599 20 0 HHADHM O=C(c1c[n-]c2c(Cl)cc(Br)cc2c1=O)N1CCCSCC1 ZINC000430639294 977663752 /nfs/dbraw/zinc/66/37/52/977663752.db2.gz OYXIHEKUNQEZGP-UHFFFAOYSA-N -1 3 401.713 3.523 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cncc(C)c3)ccc2C)cc1 ZINC000430723205 977712349 /nfs/dbraw/zinc/71/23/49/977712349.db2.gz IPAHMJDUHHRJKY-UHFFFAOYSA-N -1 3 411.483 3.760 20 0 HHADHM COc1ccc([C@@H]2NC(=O)N(c3ccc(-c4cc(=O)[n-]c(C)n4)cc3)C2=O)cc1Cl ZINC000430929068 977893443 /nfs/dbraw/zinc/89/34/43/977893443.db2.gz NKBSBHRCJVEAPZ-IBGZPJMESA-N -1 3 424.844 3.617 20 0 HHADHM Cn1c2cc(F)ccc2nc1N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000431038230 977970817 /nfs/dbraw/zinc/97/08/17/977970817.db2.gz CBEFYTFJOCYPEN-UHFFFAOYSA-N -1 3 402.857 3.927 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]C2(c3ccc4c(c3)OCO4)CC2)sc1Br ZINC000431302234 978187365 /nfs/dbraw/zinc/18/73/65/978187365.db2.gz MZMVEZJCLYKPRM-UHFFFAOYSA-N -1 3 416.318 3.515 20 0 HHADHM O=S(=O)([N-][C@@H](c1ccccc1)C(F)F)c1cccc(I)c1 ZINC000431613329 978384902 /nfs/dbraw/zinc/38/49/02/978384902.db2.gz FIUHKGXXCPTLEK-ZDUSSCGKSA-N -1 3 423.222 3.576 20 0 HHADHM O=S(=O)([N-]C1(Cc2ccc(F)cc2)CCOCC1)c1cc(F)ccc1Cl ZINC000432296273 978749643 /nfs/dbraw/zinc/74/96/43/978749643.db2.gz YZKLNXHMIGLCKN-UHFFFAOYSA-N -1 3 401.862 3.688 20 0 HHADHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]CC[C@H](c1ccccc1)C(F)(F)F ZINC000432308513 978755455 /nfs/dbraw/zinc/75/54/55/978755455.db2.gz SJVPDYOLIXFMCM-CYBMUJFWSA-N -1 3 419.421 3.643 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]Cc1coc2ccccc12 ZINC000432309181 978755855 /nfs/dbraw/zinc/75/58/55/978755855.db2.gz WPNTVSUWDQJWLP-UHFFFAOYSA-N -1 3 401.465 3.913 20 0 HHADHM CN(C)[C@H]1CCOc2c([N-]S(=O)(=O)c3ccc(OCC(F)F)cc3)cccc21 ZINC000432487087 978842651 /nfs/dbraw/zinc/84/26/51/978842651.db2.gz AYPFHLYCBKRJGP-KRWDZBQOSA-N -1 3 412.458 3.517 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C34CCC(C(=O)OC)(CC3)CC4)c2)n1 ZINC000432648675 978925230 /nfs/dbraw/zinc/92/52/30/978925230.db2.gz JWYLZOQRAMEIIH-UHFFFAOYSA-N -1 3 409.486 3.864 20 0 HHADHM O=S(=O)([N-]c1ccccc1F)c1ccc(-c2nc(-c3cscn3)no2)cc1 ZINC000432677776 978933560 /nfs/dbraw/zinc/93/35/60/978933560.db2.gz KHEFOAWKCZYTRO-UHFFFAOYSA-N -1 3 402.432 3.800 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(NC(=O)[C@H]3CCCO3)cc2)cc1Cl ZINC000432757045 978961045 /nfs/dbraw/zinc/96/10/45/978961045.db2.gz HZNLWSPRZMITLA-MRXNPFEDSA-N -1 3 424.906 3.575 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(C(C)C)c(OC)cc2C)cc1NC(C)=O ZINC000432757686 978961380 /nfs/dbraw/zinc/96/13/80/978961380.db2.gz KUXOOTUCWWFPGC-UHFFFAOYSA-N -1 3 406.504 3.895 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C)c(C(=O)N(C)C)c2)cc1C(C)C ZINC000432776646 978971273 /nfs/dbraw/zinc/97/12/73/978971273.db2.gz QGOLHVQSHKSSCW-UHFFFAOYSA-N -1 3 404.532 3.938 20 0 HHADHM CN(C)c1ccc(S(=O)(=O)[N-]c2cccc(-n3cc(C(F)(F)F)cn3)c2)cc1 ZINC000432778813 978972072 /nfs/dbraw/zinc/97/20/72/978972072.db2.gz ITZXLFPHLKQLJQ-UHFFFAOYSA-N -1 3 410.421 3.758 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)Nc3nc(C(C)C)cs3)c2)[n-]1 ZINC000432917447 979011171 /nfs/dbraw/zinc/01/11/71/979011171.db2.gz PLSNVYSCCOGSTM-UHFFFAOYSA-N -1 3 414.491 3.550 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)Nc3nc(C(C)C)cs3)c2)n[n-]1 ZINC000432917447 979011173 /nfs/dbraw/zinc/01/11/73/979011173.db2.gz PLSNVYSCCOGSTM-UHFFFAOYSA-N -1 3 414.491 3.550 20 0 HHADHM O=S(=O)([N-]C[C@@H]1CCCN(c2ccccc2)C1)c1ccc(Br)s1 ZINC000433445667 979310893 /nfs/dbraw/zinc/31/08/93/979310893.db2.gz ZEMODYWQWVMNFP-ZDUSSCGKSA-N -1 3 415.378 3.706 20 0 HHADHM O=S(=O)(Cc1ccc(Cl)c(Cl)c1)[N-]Cc1noc(-c2ccccc2F)n1 ZINC000433478405 979326867 /nfs/dbraw/zinc/32/68/67/979326867.db2.gz RJHRRVMZKZLXRH-UHFFFAOYSA-N -1 3 416.261 3.802 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)Nc3cccc(C(=O)CC)c3)c2)[n-]1 ZINC000433600675 979416716 /nfs/dbraw/zinc/41/67/16/979416716.db2.gz UTEBHSCGJKNSNI-UHFFFAOYSA-N -1 3 421.457 3.563 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)Nc3cccc(C(=O)CC)c3)c2)n[n-]1 ZINC000433600675 979416719 /nfs/dbraw/zinc/41/67/19/979416719.db2.gz UTEBHSCGJKNSNI-UHFFFAOYSA-N -1 3 421.457 3.563 20 0 HHADHM Cc1csc(C2([N-]S(=O)(=O)c3cc(C)c(Br)s3)CCC2)n1 ZINC000433681196 979479877 /nfs/dbraw/zinc/47/98/77/979479877.db2.gz CBKSRGDYUVCLEW-UHFFFAOYSA-N -1 3 407.380 3.942 20 0 HHADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCOc3ccc(F)cc32)sc1Br ZINC000433831961 979611210 /nfs/dbraw/zinc/61/12/10/979611210.db2.gz PPZBESLSBFZARK-NSHDSACASA-N -1 3 406.298 3.760 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)c(C)o1 ZINC000433953418 979711625 /nfs/dbraw/zinc/71/16/25/979711625.db2.gz JWEYGOCQXVCVFC-IBGZPJMESA-N -1 3 418.902 3.669 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)NC[C@H](CC)c3ccccc3)c2)[n-]1 ZINC000433975342 979727312 /nfs/dbraw/zinc/72/73/12/979727312.db2.gz FZTDARUHUQYABU-KRWDZBQOSA-N -1 3 421.501 3.641 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)NC[C@H](CC)c3ccccc3)c2)n[n-]1 ZINC000433975342 979727317 /nfs/dbraw/zinc/72/73/17/979727317.db2.gz FZTDARUHUQYABU-KRWDZBQOSA-N -1 3 421.501 3.641 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](CCc2ccccc2)c2ccccc2)c(C)o1 ZINC000434083198 979830378 /nfs/dbraw/zinc/83/03/78/979830378.db2.gz OXHGJIVCNINRHW-FQEVSTJZSA-N -1 3 412.511 3.600 20 0 HHADHM Cc1ccc(NC(=O)CC[C@H]2CCOC2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000434213097 979982441 /nfs/dbraw/zinc/98/24/41/979982441.db2.gz YTZBRTWBKSAFBH-HNNXBMFYSA-N -1 3 406.479 3.690 20 0 HHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCC(c4c[nH]cn4)CC3)cc2)cc1 ZINC000434281104 980040738 /nfs/dbraw/zinc/04/07/38/980040738.db2.gz PPFLNDDBQLFIBK-UHFFFAOYSA-N -1 3 424.526 3.539 20 0 HHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCC(c4cnc[nH]4)CC3)cc2)cc1 ZINC000434281104 980040750 /nfs/dbraw/zinc/04/07/50/980040750.db2.gz PPFLNDDBQLFIBK-UHFFFAOYSA-N -1 3 424.526 3.539 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)NC[C@@H](C)c3cccc(C)c3)c2)[n-]1 ZINC000434411800 980153716 /nfs/dbraw/zinc/15/37/16/980153716.db2.gz LPWHUSRXYZLIPL-MRXNPFEDSA-N -1 3 421.501 3.560 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)NC[C@@H](C)c3cccc(C)c3)c2)n[n-]1 ZINC000434411800 980153719 /nfs/dbraw/zinc/15/37/19/980153719.db2.gz LPWHUSRXYZLIPL-MRXNPFEDSA-N -1 3 421.501 3.560 20 0 HHADHM CCCCCOc1ccc(S(=O)(=O)[N-]c2cccc([C@@H]3CNC(=O)C3)c2)cc1 ZINC000435137053 980668082 /nfs/dbraw/zinc/66/80/82/980668082.db2.gz JGXUPKWXVPLKBZ-KRWDZBQOSA-N -1 3 402.516 3.660 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]c2ccc(C)cc2CN(C)C)sc1Br ZINC000435185171 980705672 /nfs/dbraw/zinc/70/56/72/980705672.db2.gz VSUZNWAYDXMBLB-UHFFFAOYSA-N -1 3 403.367 3.990 20 0 HHADHM O=S(=O)([N-]C1CCN(c2ccccc2)CC1)c1cc(F)ccc1Br ZINC000435221260 980730335 /nfs/dbraw/zinc/73/03/35/980730335.db2.gz WZBJIVUVQOYRNC-UHFFFAOYSA-N -1 3 413.312 3.536 20 0 HHADHM O=S(=O)([N-]Cc1ccccc1OC1CCC1)c1cc(F)ccc1Br ZINC000435224251 980732187 /nfs/dbraw/zinc/73/21/87/980732187.db2.gz DIPMFFLEBOSCJK-UHFFFAOYSA-N -1 3 414.296 3.998 20 0 HHADHM Cc1ccc2c(c1)nc(C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)n2C ZINC000435426290 980856822 /nfs/dbraw/zinc/85/68/22/980856822.db2.gz HHNDVPYVVHJKLN-UHFFFAOYSA-N -1 3 402.278 3.806 20 0 HHADHM Cc1cccc2nc(C[N-]S(=O)(=O)c3c(Cl)cc(F)cc3Cl)n(C)c21 ZINC000435432106 980859446 /nfs/dbraw/zinc/85/94/46/980859446.db2.gz LNHCNWXIPMTPJC-UHFFFAOYSA-N -1 3 402.278 3.806 20 0 HHADHM CN(C)C(=O)C[C@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)c1ccccc1 ZINC000435448460 980868334 /nfs/dbraw/zinc/86/83/34/980868334.db2.gz WJDRQLDPHGQEEG-HNNXBMFYSA-N -1 3 419.305 3.630 20 0 HHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000435638371 980971002 /nfs/dbraw/zinc/97/10/02/980971002.db2.gz UTRZZVXFPVXPTC-ZBFHGGJFSA-N -1 3 424.950 3.854 20 0 HHADHM CCN(C(=O)c1cnc2c(cnn2C)c1[O-])[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000435943665 981106127 /nfs/dbraw/zinc/10/61/27/981106127.db2.gz BECHOCVEQAOWHU-LBPRGKRZSA-N -1 3 406.408 3.786 20 0 HHADHM Cc1cc([C@H]2CCCN2C(=O)Cc2c(C)nc(C)[n-]c2=O)ccc1Br ZINC000435960610 981114887 /nfs/dbraw/zinc/11/48/87/981114887.db2.gz FHZWHEHOIIERJS-QGZVFWFLSA-N -1 3 404.308 3.776 20 0 HHADHM O=C(NCCc1cc(Cl)ccc1Br)c1c[n-]c2ccccc2c1=O ZINC000435963008 981116807 /nfs/dbraw/zinc/11/68/07/981116807.db2.gz DYOZYNMUMNDSFX-UHFFFAOYSA-N -1 3 405.679 3.917 20 0 HHADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000435965588 981118755 /nfs/dbraw/zinc/11/87/55/981118755.db2.gz IPJQZYPPAUYABN-JKSUJKDBSA-N -1 3 420.943 3.505 20 0 HHADHM Cc1nc(C)c(CC(=O)N2CCc3ccccc3[C@@H](c3ccccc3)[C@@H]2C)c(=O)[n-]1 ZINC000435969863 981122234 /nfs/dbraw/zinc/12/22/34/981122234.db2.gz ZVBUEGZEZQBFIA-BXKMTCNYSA-N -1 3 401.510 3.947 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000435971661 981123085 /nfs/dbraw/zinc/12/30/85/981123085.db2.gz OQCFJNQKOQSJCL-XZOQPEGZSA-N -1 3 424.504 3.898 20 0 HHADHM CSc1ccccc1S(=O)(=O)[N-]c1cc(NC(=O)c2cnoc2C)ccc1F ZINC000436006386 981149577 /nfs/dbraw/zinc/14/95/77/981149577.db2.gz UBYNHGCQDWWMAJ-UHFFFAOYSA-N -1 3 421.475 3.897 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1ccc(Cl)c(CN2CCOCC2)c1 ZINC000436032394 981169467 /nfs/dbraw/zinc/16/94/67/981169467.db2.gz ZTDBGRRSPWBPCG-UHFFFAOYSA-N -1 3 406.885 3.978 20 0 HHADHM CC(C)(COc1ncc(Cl)cc1Cl)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000436056992 981182005 /nfs/dbraw/zinc/18/20/05/981182005.db2.gz ZQJYOYPNOCOHBB-UHFFFAOYSA-N -1 3 406.269 3.817 20 0 HHADHM O=C([N-]c1nc(C2CCC2)cs1)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000436168225 981231708 /nfs/dbraw/zinc/23/17/08/981231708.db2.gz DDYRUDUNXQPAQX-UHFFFAOYSA-N -1 3 411.574 3.899 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3C[C@H](C)[C@H](C)C3)c2)cc1 ZINC000436174225 981234640 /nfs/dbraw/zinc/23/46/40/981234640.db2.gz UQFXMTHVVDFKCC-IYBDPMFKSA-N -1 3 402.516 3.532 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCC[C@H]3C)c2)cc1 ZINC000436208215 981250439 /nfs/dbraw/zinc/25/04/39/981250439.db2.gz IXNIFYUVRBELIS-MRXNPFEDSA-N -1 3 402.516 3.819 20 0 HHADHM O=C(N[C@H](CC(=O)N1CCCC[C@@H]1C(F)F)c1ccccc1)c1ccc([O-])cc1 ZINC000436492994 981399250 /nfs/dbraw/zinc/39/92/50/981399250.db2.gz KMYOGRZUKRLBLN-RTBURBONSA-N -1 3 402.441 3.900 20 0 HHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)Cc2cc(Br)ccc2F)c1 ZINC000436514809 981411323 /nfs/dbraw/zinc/41/13/23/981411323.db2.gz PWOJRZKJODZSMH-JTQLQIEISA-N -1 3 409.255 3.613 20 0 HHADHM Cc1ccc(CCNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cc1 ZINC000436523401 981416578 /nfs/dbraw/zinc/41/65/78/981416578.db2.gz AZUHSFIHWDNWAW-QHCPKHFHSA-N -1 3 402.494 3.921 20 0 HHADHM C[S@@](=O)c1cccc(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC000436529564 981421787 /nfs/dbraw/zinc/42/17/87/981421787.db2.gz SCNZRLJXHKEBPU-IIMAJNMQSA-N -1 3 422.506 3.630 20 0 HHADHM CC(C)(C)c1cnc(CNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)o1 ZINC000436529504 981421802 /nfs/dbraw/zinc/42/18/02/981421802.db2.gz RZENIJHNBKZMKN-LJQANCHMSA-N -1 3 421.497 3.855 20 0 HHADHM CC1(C)[C@H](NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)[C@@H]2CCCO[C@H]21 ZINC000436531183 981423455 /nfs/dbraw/zinc/42/34/55/981423455.db2.gz VRYMYRJWQMIPDX-JFJDKTSWSA-N -1 3 422.525 3.573 20 0 HHADHM COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)c1cc2c(cc1[O-])OCO2 ZINC000436532138 981424238 /nfs/dbraw/zinc/42/42/38/981424238.db2.gz GIRHSZVQANOSFU-AWEZNQCLSA-N -1 3 420.259 3.869 20 0 HHADHM CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cc(F)c([O-])c(F)c1 ZINC000436534300 981425843 /nfs/dbraw/zinc/42/58/43/981425843.db2.gz WRLAAWINHFLPRT-UHFFFAOYSA-N -1 3 402.363 3.893 20 0 HHADHM O=C(Nc1ccc(Br)cc1)C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436536211 981426770 /nfs/dbraw/zinc/42/67/70/981426770.db2.gz PECOZWOMVKNBFF-UHFFFAOYSA-N -1 3 403.276 3.646 20 0 HHADHM C[C@@H]1CN(C[C@@H]2CCCN2C(=O)c2cc(Cc3ccccc3)ccc2[O-])C[C@@H](C)O1 ZINC000436546509 981434113 /nfs/dbraw/zinc/43/41/13/981434113.db2.gz GDBBGNYHQZLNFD-KNKQGSTJSA-N -1 3 408.542 3.697 20 0 HHADHM C[C@@H]1CN(C[C@@H]2CCCN2C(=O)c2cc(Cc3ccccc3)ccc2[O-])C[C@H](C)O1 ZINC000436546508 981434219 /nfs/dbraw/zinc/43/42/19/981434219.db2.gz GDBBGNYHQZLNFD-JQVVWYNYSA-N -1 3 408.542 3.697 20 0 HHADHM C[C@@H]1CN(C[C@H]2CCCN2C(=O)c2cc(Cc3ccccc3)ccc2[O-])C[C@H](C)O1 ZINC000436546511 981434243 /nfs/dbraw/zinc/43/42/43/981434243.db2.gz GDBBGNYHQZLNFD-XQBPLPMBSA-N -1 3 408.542 3.697 20 0 HHADHM COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1ccc(O)cc1[O-])CC2 ZINC000436552827 981438057 /nfs/dbraw/zinc/43/80/57/981438057.db2.gz AMSWVPZNHWNAHO-OAQYLSRUSA-N -1 3 411.479 3.964 20 0 HHADHM COc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)c([O-])c1 ZINC000436552051 981438116 /nfs/dbraw/zinc/43/81/16/981438116.db2.gz TZTOBOMVFNMLMU-UHFFFAOYSA-N -1 3 406.841 3.684 20 0 HHADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000436552860 981438904 /nfs/dbraw/zinc/43/89/04/981438904.db2.gz ASHATHPQXHWHHC-IRXDYDNUSA-N -1 3 419.308 3.787 20 0 HHADHM CC[C@H](c1nnc(N2CCN(C(=O)c3ccc([O-])cc3)CC2)n1CC)c1ccccc1 ZINC000436557594 981442499 /nfs/dbraw/zinc/44/24/99/981442499.db2.gz RWGOZXWNFBQXHG-NRFANRHFSA-N -1 3 419.529 3.508 20 0 HHADHM COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)c1ccc(O)cc1[O-])CC2 ZINC000436558569 981443326 /nfs/dbraw/zinc/44/33/26/981443326.db2.gz QERGWEGQOQAFCH-HSZRJFAPSA-N -1 3 405.450 3.903 20 0 HHADHM CC(C)CCn1ccc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)n1 ZINC000436559061 981443348 /nfs/dbraw/zinc/44/33/48/981443348.db2.gz SDTSBRMMGAMORH-NRFANRHFSA-N -1 3 420.513 4.135 20 0 HHADHM O=C(Nc1ccccc1)Nc1cccc(CNC(=O)c2cc3c(cc2[O-])OCO3)c1 ZINC000436563094 981446305 /nfs/dbraw/zinc/44/63/05/981446305.db2.gz MGMGUSAPOHEJSQ-UHFFFAOYSA-N -1 3 405.410 3.695 20 0 HHADHM CC(C)C[C@@H]1C[C@H](NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCO1 ZINC000436562711 981446326 /nfs/dbraw/zinc/44/63/26/981446326.db2.gz NVXHPGAWRQIIEW-MZYLBHOOSA-N -1 3 424.541 3.963 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCC[C@@H]1C1CCOCC1 ZINC000436563787 981447156 /nfs/dbraw/zinc/44/71/56/981447156.db2.gz QPEOWUJNQYJOGH-XZOQPEGZSA-N -1 3 422.525 3.671 20 0 HHADHM Cc1ccc(C(=O)N2CCN(C(=O)c3cc(Cc4ccccc4)ccc3[O-])CC2)cc1 ZINC000436572906 981452673 /nfs/dbraw/zinc/45/26/73/981452673.db2.gz ACXXXFOFOBEGHI-UHFFFAOYSA-N -1 3 414.505 3.890 20 0 HHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCn2c(nnc2-c2ccccc2)C1 ZINC000436577585 981455802 /nfs/dbraw/zinc/45/58/02/981455802.db2.gz VFYATONOBBJWHZ-UHFFFAOYSA-N -1 3 410.477 3.898 20 0 HHADHM CCc1n[nH]c(=O)c(CNC(=O)c2cc(CCc3ccccc3)ccc2[O-])c1CC ZINC000436581302 981458174 /nfs/dbraw/zinc/45/81/74/981458174.db2.gz ZLYLWMUMAJONFU-UHFFFAOYSA-N -1 3 405.498 3.728 20 0 HHADHM Cc1cc(N2CCC(NC(=O)c3cc(Cc4ccccc4)ccc3[O-])CC2)nc(C)n1 ZINC000436579932 981458215 /nfs/dbraw/zinc/45/82/15/981458215.db2.gz VWQHWEYOXDHGDR-UHFFFAOYSA-N -1 3 416.525 3.789 20 0 HHADHM CN(C(=O)c1cc(Oc2ccccc2)ccc1[O-])[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000436582362 981459368 /nfs/dbraw/zinc/45/93/68/981459368.db2.gz HMQKSFTVBGIGQM-QUCCMNQESA-N -1 3 403.500 3.612 20 0 HHADHM CC(C)c1ccc(C(=O)NCc2cccc(N3C(=O)NC4(CCCC4)C3=O)c2)c([O-])c1 ZINC000436593257 981464330 /nfs/dbraw/zinc/46/43/30/981464330.db2.gz BBCIJARTKMQMNZ-UHFFFAOYSA-N -1 3 421.497 3.815 20 0 HHADHM CC(C)=CCOc1cccc(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000436593236 981464555 /nfs/dbraw/zinc/46/45/55/981464555.db2.gz AZXVGWHKOKAOLJ-UHFFFAOYSA-N -1 3 408.498 3.772 20 0 HHADHM CS(=O)(=O)Nc1cc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])ccc1F ZINC000436595348 981465634 /nfs/dbraw/zinc/46/56/34/981465634.db2.gz IIEWRWDTIWZWGP-UHFFFAOYSA-N -1 3 414.458 3.746 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)N[C@@H](c2c(F)cccc2F)C(F)(F)F)c([O-])c1 ZINC000436598075 981466637 /nfs/dbraw/zinc/46/66/37/981466637.db2.gz YIQIUCDUESNAAV-KRWDZBQOSA-N -1 3 416.346 3.519 20 0 HHADHM CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436602727 981469080 /nfs/dbraw/zinc/46/90/80/981469080.db2.gz GFXDGRJBAMNAQW-QZTJIDSGSA-N -1 3 409.530 3.691 20 0 HHADHM COc1cccc(C2(CNC(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])CCCC2)c1 ZINC000436606100 981470932 /nfs/dbraw/zinc/47/09/32/981470932.db2.gz DKGCHBNMDURDPG-NRFANRHFSA-N -1 3 422.525 3.634 20 0 HHADHM C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436609417 981472261 /nfs/dbraw/zinc/47/22/61/981472261.db2.gz LDRXTEJFVGQIPA-KDOFPFPSSA-N -1 3 420.431 3.763 20 0 HHADHM CCSc1cc(Cl)ccc1C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436612666 981474748 /nfs/dbraw/zinc/47/47/48/981474748.db2.gz RIEDYQOGUFMBAY-UHFFFAOYSA-N -1 3 404.919 3.756 20 0 HHADHM O=C(Nc1cccc(NCC(F)(F)F)c1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436614570 981475392 /nfs/dbraw/zinc/47/53/92/981475392.db2.gz ZECCYSNKFSCVPQ-MRXNPFEDSA-N -1 3 407.392 3.610 20 0 HHADHM CC1CCC(OC2CCN(C(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])CC2)CC1 ZINC000436615391 981475922 /nfs/dbraw/zinc/47/59/22/981475922.db2.gz DMFABAIKFLZBPR-WIXQSORDSA-N -1 3 414.546 3.583 20 0 HHADHM CS(=O)(=O)Cc1ccc(CNC(=O)c2cc(CCc3ccccc3)ccc2[O-])cc1 ZINC000436617058 981476673 /nfs/dbraw/zinc/47/66/73/981476673.db2.gz JLWHLLRBYRQIKZ-UHFFFAOYSA-N -1 3 423.534 3.652 20 0 HHADHM CCC(=O)Nc1ccc(Cl)c(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000436616299 981476675 /nfs/dbraw/zinc/47/66/75/981476675.db2.gz DQBDFADUSSXBCS-KRWDZBQOSA-N -1 3 415.877 3.637 20 0 HHADHM C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])c1ncc(-c2ccccc2)o1 ZINC000436616742 981476688 /nfs/dbraw/zinc/47/66/88/981476688.db2.gz FUXBOENDYGVQRC-YJBOKZPZSA-N -1 3 405.454 3.529 20 0 HHADHM CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000436617762 981477234 /nfs/dbraw/zinc/47/72/34/981477234.db2.gz ORXGXPLDZOBRMZ-GOSISDBHSA-N -1 3 408.542 3.996 20 0 HHADHM CC(=O)Nc1ccc(-c2csc(NC(=O)c3cc4c(cc3[O-])OCO4)n2)c(F)c1 ZINC000436619309 981477852 /nfs/dbraw/zinc/47/78/52/981477852.db2.gz OOAKUSCBEITELO-UHFFFAOYSA-N -1 3 415.402 3.594 20 0 HHADHM O=C(NCC1CC1)[C@H]1CCCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC000436620315 981478274 /nfs/dbraw/zinc/47/82/74/981478274.db2.gz SLIJMFKBVYUQBU-NRFANRHFSA-N -1 3 406.526 3.556 20 0 HHADHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000436621501 981478998 /nfs/dbraw/zinc/47/89/98/981478998.db2.gz DMOHJCGWVAXQGU-QFIPXVFZSA-N -1 3 417.509 3.884 20 0 HHADHM COCCn1cc2c(n1)[C@H](NC(=O)c1cc(Cc3ccccc3)ccc1[O-])CCC2 ZINC000436624768 981480984 /nfs/dbraw/zinc/48/09/84/981480984.db2.gz ANHSJVJFTAYHKT-OAQYLSRUSA-N -1 3 405.498 3.633 20 0 HHADHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000436626296 981481459 /nfs/dbraw/zinc/48/14/59/981481459.db2.gz PAWNRHNKVYITBO-SFHVURJKSA-N -1 3 419.308 3.889 20 0 HHADHM COc1cccc(C=C2CCN(C(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])CC2)c1 ZINC000436629754 981483162 /nfs/dbraw/zinc/48/31/62/981483162.db2.gz KQVGNHFCBSGCQC-JOCHJYFZSA-N -1 3 420.509 3.711 20 0 HHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N(C)[C@H](C)c3ccncc3)cs2)c1 ZINC000436632809 981484337 /nfs/dbraw/zinc/48/43/37/981484337.db2.gz CMZCNGGCVYARRL-CQSZACIVSA-N -1 3 410.499 3.567 20 0 HHADHM COc1cc(O)cc(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC000436637912 981487711 /nfs/dbraw/zinc/48/77/11/981487711.db2.gz YQMUBFDWAFLPTO-OAQYLSRUSA-N -1 3 406.438 3.606 20 0 HHADHM CCS[C@@H]1CCC[C@H]1NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000436638147 981487828 /nfs/dbraw/zinc/48/78/28/981487828.db2.gz BUBKTYNNLFOIMV-NVXWUHKLSA-N -1 3 419.572 3.742 20 0 HHADHM CC[C@H](NC(=O)CCNC(=O)c1ccc(C)cc1[O-])c1nc(C(F)(F)F)cs1 ZINC000436639421 981488296 /nfs/dbraw/zinc/48/82/96/981488296.db2.gz OZMXRCQJWHOSOX-LBPRGKRZSA-N -1 3 415.437 3.563 20 0 HHADHM Cc1ccc(CN(C)C(=O)Cc2csc(NC(=O)c3cc(C)ccc3[O-])n2)cc1 ZINC000436638605 981488414 /nfs/dbraw/zinc/48/84/14/981488414.db2.gz JBTRSMQNOVLNPN-UHFFFAOYSA-N -1 3 409.511 3.919 20 0 HHADHM Cn1nnc2c1nccc2C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000436641949 981489541 /nfs/dbraw/zinc/48/95/41/981489541.db2.gz FBKUZKVTZXBNHU-UHFFFAOYSA-N -1 3 402.439 3.598 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H](c2ncccc2C)C(C)C)c1 ZINC000436662934 981498575 /nfs/dbraw/zinc/49/85/75/981498575.db2.gz FERWODQNXCVPBY-IBGZPJMESA-N -1 3 408.458 3.771 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)N[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)c([O-])c1 ZINC000436664165 981499180 /nfs/dbraw/zinc/49/91/80/981499180.db2.gz HXXRTVSKDIZWBG-NVXWUHKLSA-N -1 3 406.404 3.512 20 0 HHADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CC[C@](F)(c2cccc(Cl)c2)C1 ZINC000436668439 981501337 /nfs/dbraw/zinc/50/13/37/981501337.db2.gz WSRGIWVXFZOLAA-XMSQKQJNSA-N -1 3 416.880 3.748 20 0 HHADHM COc1cccc(F)c1[C@@H](C)NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000436669377 981502181 /nfs/dbraw/zinc/50/21/81/981502181.db2.gz KQLKXOWPXYEJJQ-LLVKDONJSA-N -1 3 413.405 3.580 20 0 HHADHM O=C(Nc1cccc(N2CCC[NH+]=C2[O-])c1)c1cc(Br)cc(Cl)c1[O-] ZINC000436672031 981503979 /nfs/dbraw/zinc/50/39/79/981503979.db2.gz XSZRJXFFXUXTFE-UHFFFAOYSA-N -1 3 424.682 3.980 20 0 HHADHM O=C(c1ccccc1[O-])N1CCN(C(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)CC1 ZINC000436672581 981504042 /nfs/dbraw/zinc/50/40/42/981504042.db2.gz MJNUQOBGMXNGSX-VXKWHMMOSA-N -1 3 400.478 3.634 20 0 HHADHM O=C(c1ccccc1[O-])N1CCN(C(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)CC1 ZINC000436672584 981504594 /nfs/dbraw/zinc/50/45/94/981504594.db2.gz MJNUQOBGMXNGSX-YADHBBJMSA-N -1 3 400.478 3.634 20 0 HHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1cccc(OC2CCCC2)c1 ZINC000436676696 981506619 /nfs/dbraw/zinc/50/66/19/981506619.db2.gz SBTNOGXBYBGDGT-UHFFFAOYSA-N -1 3 408.498 3.748 20 0 HHADHM C[C@H](C(=O)Nc1cccc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)c1)n1cccn1 ZINC000436679670 981508167 /nfs/dbraw/zinc/50/81/67/981508167.db2.gz HCSHGAXWOCCJSU-CQSZACIVSA-N -1 3 420.469 3.754 20 0 HHADHM O=C(NCCNC(=O)c1cc(Cl)ccc1OC1CCCC1)c1ccc([O-])cc1 ZINC000436679771 981508242 /nfs/dbraw/zinc/50/82/42/981508242.db2.gz LWDLJAZIKUCPMF-UHFFFAOYSA-N -1 3 402.878 3.527 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC(C)=C(c3ccco3)C2)c1 ZINC000436679661 981508292 /nfs/dbraw/zinc/50/82/92/981508292.db2.gz GYDXUAGMGCLKAO-UHFFFAOYSA-N -1 3 407.426 3.854 20 0 HHADHM CCS[C@H]1CCC[C@@H](NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])C1 ZINC000436681120 981508975 /nfs/dbraw/zinc/50/89/75/981508975.db2.gz PQDHYYCYPNRZMU-HIFRSBDPSA-N -1 3 403.504 3.735 20 0 HHADHM O=C(NCCNC(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1)c1ccc([O-])cc1 ZINC000436682675 981510272 /nfs/dbraw/zinc/51/02/72/981510272.db2.gz WTHOFKLCXBGFIJ-UHFFFAOYSA-N -1 3 407.297 3.667 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCc2cc(F)ccc21 ZINC000436687979 981513025 /nfs/dbraw/zinc/51/30/25/981513025.db2.gz SFEFBYOZLJAQLV-NRFANRHFSA-N -1 3 404.441 3.982 20 0 HHADHM COc1ccc2cc(-c3noc(CCNC(=O)c4ccc(C)cc4[O-])n3)ccc2c1 ZINC000436689736 981513693 /nfs/dbraw/zinc/51/36/93/981513693.db2.gz NYVMJTKFEMOBBG-UHFFFAOYSA-N -1 3 403.438 3.885 20 0 HHADHM O=c1nc(CN2CCO[C@@H](c3cccc(O)c3)C2)[n-]c2scc(-c3ccco3)c21 ZINC000436688817 981514010 /nfs/dbraw/zinc/51/40/10/981514010.db2.gz CHVSHJYTWUYKJR-QGZVFWFLSA-N -1 3 409.467 3.936 20 0 HHADHM O=C(Nc1nnc(CC2CCCCC2)s1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436690773 981514608 /nfs/dbraw/zinc/51/46/08/981514608.db2.gz QWUBSBBXKAQVPH-INIZCTEOSA-N -1 3 414.531 3.610 20 0 HHADHM CC(C)c1ccc(C(=O)NCc2cccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)c2)c([O-])c1 ZINC000436693639 981516689 /nfs/dbraw/zinc/51/66/89/981516689.db2.gz CFKUXOIOFVPDAZ-DEOSSOPVSA-N -1 3 421.497 3.671 20 0 HHADHM Cc1nc(C(F)(F)F)ccc1NC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436702921 981521316 /nfs/dbraw/zinc/52/13/16/981521316.db2.gz GPYFCTVNHUWVEY-UHFFFAOYSA-N -1 3 422.407 3.541 20 0 HHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2C[C@@H](C)O[C@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000436710365 981524140 /nfs/dbraw/zinc/52/41/40/981524140.db2.gz SPASASVKANSPOV-BLVKFPJESA-N -1 3 422.403 3.972 20 0 HHADHM Cc1ccc(OC2CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])CC2)cc1C ZINC000436713168 981526144 /nfs/dbraw/zinc/52/61/44/981526144.db2.gz QCGVNASAEOZSEO-QFIPXVFZSA-N -1 3 422.525 3.684 20 0 HHADHM CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000436715670 981527417 /nfs/dbraw/zinc/52/74/17/981527417.db2.gz LYDTXSSDUUQZFD-HNNXBMFYSA-N -1 3 408.420 3.526 20 0 HHADHM Cc1cc(Cl)ccc1OCCCNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436717404 981528893 /nfs/dbraw/zinc/52/88/93/981528893.db2.gz WLUKJOVEMIPZQT-GOSISDBHSA-N -1 3 416.905 3.544 20 0 HHADHM COc1c(NC(=O)c2cc3c(cc2[O-])CCCC3)cc(Cl)cc1C(=O)N(C)C ZINC000436730150 981535349 /nfs/dbraw/zinc/53/53/49/981535349.db2.gz JQXPBVSOWZODDS-UHFFFAOYSA-N -1 3 402.878 3.887 20 0 HHADHM CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cc2c(cc1[O-])OCO2 ZINC000436729930 981535447 /nfs/dbraw/zinc/53/54/47/981535447.db2.gz IWFSOZXQTLCERD-UHFFFAOYSA-N -1 3 411.241 3.529 20 0 HHADHM COc1ccccc1[C@@H](CNC(=O)c1ccc(Br)cc1[O-])N1CCCC1 ZINC000436731470 981536057 /nfs/dbraw/zinc/53/60/57/981536057.db2.gz PIQREBSQBIAHFT-QGZVFWFLSA-N -1 3 419.319 3.730 20 0 HHADHM CCOc1cc(-c2nc3cc(S(C)(=O)=O)ccc3n2CCOC)cc(Cl)c1[O-] ZINC000436734313 981537575 /nfs/dbraw/zinc/53/75/75/981537575.db2.gz BGYFQRICZXALES-UHFFFAOYSA-N -1 3 424.906 3.511 20 0 HHADHM Cc1nc2sc3c(c2c(N2CCN(C(=O)c4ccccc4[O-])CC2)n1)CC[C@@H](C)C3 ZINC000436740852 981540002 /nfs/dbraw/zinc/54/00/02/981540002.db2.gz RPLUECZEUTYFML-CQSZACIVSA-N -1 3 422.554 3.793 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1Cc2ccccc2CO1 ZINC000436743092 981541391 /nfs/dbraw/zinc/54/13/91/981541391.db2.gz GNNULDCQAQZJQN-JOCHJYFZSA-N -1 3 402.450 3.727 20 0 HHADHM O=C(N[C@@H]1CCCOc2cc(Cl)ccc21)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436742394 981541616 /nfs/dbraw/zinc/54/16/16/981541616.db2.gz VKMYGQQNNRNYNC-QZTJIDSGSA-N -1 3 414.889 3.680 20 0 HHADHM COc1c(Cl)cc(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1Cl ZINC000436747646 981543316 /nfs/dbraw/zinc/54/33/16/981543316.db2.gz MHUZYSJNYBYPDQ-UHFFFAOYSA-N -1 3 424.284 3.698 20 0 HHADHM CC(C)[C@H](NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccccc1Cl ZINC000436748219 981543997 /nfs/dbraw/zinc/54/39/97/981543997.db2.gz DVRNNOUOQFPZFN-FQEVSTJZSA-N -1 3 415.921 3.910 20 0 HHADHM O=C(c1cccc(F)c1)N1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000436753133 981545841 /nfs/dbraw/zinc/54/58/41/981545841.db2.gz CLINYHDVZJANQO-UHFFFAOYSA-N -1 3 420.440 3.922 20 0 HHADHM CN(C(=O)c1ccc(NC(=O)c2cc(F)cc(Cl)c2[O-])cc1)[C@@H]1CCCN(C)C1 ZINC000436770242 981554525 /nfs/dbraw/zinc/55/45/25/981554525.db2.gz LRJMMMCIOLDEFC-MRXNPFEDSA-N -1 3 419.884 3.603 20 0 HHADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)c2cncc(-c3ccc(Cl)cc3)c2)CC1 ZINC000436773910 981556224 /nfs/dbraw/zinc/55/62/24/981556224.db2.gz URUGTFJZZFRIGU-UHFFFAOYSA-N -1 3 421.884 3.706 20 0 HHADHM O=C(CCc1cccc(C(F)(F)F)c1)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436775696 981556617 /nfs/dbraw/zinc/55/66/17/981556617.db2.gz XOCAHWKIGDSUHW-UHFFFAOYSA-N -1 3 420.431 3.765 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C)CCCOCc2ccccc2)c1 ZINC000436780821 981558730 /nfs/dbraw/zinc/55/87/30/981558730.db2.gz GVJGTWDIOVHVND-UHFFFAOYSA-N -1 3 423.469 3.620 20 0 HHADHM O=C(CCCSc1ccc(Cl)cc1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436781609 981558850 /nfs/dbraw/zinc/55/88/50/981558850.db2.gz UWBHVYAXPLZKJJ-UHFFFAOYSA-N -1 3 418.946 3.903 20 0 HHADHM CCOC(=O)c1sc2ccsc2c1CNC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000436782587 981559410 /nfs/dbraw/zinc/55/94/10/981559410.db2.gz JFALLVMAIBEUPK-UHFFFAOYSA-N -1 3 421.496 3.792 20 0 HHADHM Cc1sc(NC(=O)c2cc3c(cc2[O-])OCO3)nc1-c1ccc2c(c1)CCC(=O)N2 ZINC000436782199 981559463 /nfs/dbraw/zinc/55/94/63/981559463.db2.gz MLZYTNJMIXZDHV-UHFFFAOYSA-N -1 3 423.450 3.690 20 0 HHADHM CCOc1ccccc1Oc1ccc(CNC(=O)c2cc(NC(C)=O)ccc2[O-])cn1 ZINC000436782190 981559499 /nfs/dbraw/zinc/55/94/99/981559499.db2.gz MIUANPXNOICGTP-UHFFFAOYSA-N -1 3 421.453 3.867 20 0 HHADHM CCN(CC)[C@H](CNC(=O)c1cc(NC(C)=O)ccc1[O-])c1ccccc1Cl ZINC000436783399 981559512 /nfs/dbraw/zinc/55/95/12/981559512.db2.gz RTXRCBDTCDXPOJ-LJQANCHMSA-N -1 3 403.910 3.817 20 0 HHADHM C[C@@H](Cc1ccccc1)n1cccc1C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436797269 981567136 /nfs/dbraw/zinc/56/71/36/981567136.db2.gz ZTDLYRMEYCLXJL-IBGZPJMESA-N -1 3 417.509 3.596 20 0 HHADHM O=C(NCc1ccc(-c2ccco2)cc1F)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436797339 981567225 /nfs/dbraw/zinc/56/72/25/981567225.db2.gz MRIQAVPAHCQTFU-LJQANCHMSA-N -1 3 408.429 3.712 20 0 HHADHM CCC[C@@H](NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccc(F)cc1F ZINC000436800122 981567564 /nfs/dbraw/zinc/56/75/64/981567564.db2.gz SXFDWWWXNMVHFE-HXUWFJFHSA-N -1 3 417.456 3.679 20 0 HHADHM C[C@]1(CNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCO[C@@H]1C1CC1 ZINC000436819309 981575789 /nfs/dbraw/zinc/57/57/89/981575789.db2.gz XWYWUOMQOGCEAP-QQKQFIJSSA-N -1 3 422.525 3.575 20 0 HHADHM NC(=O)N1CCc2ccc(NC(=O)c3cc(OCc4ccccc4)ccc3[O-])cc21 ZINC000436822669 981576671 /nfs/dbraw/zinc/57/66/71/981576671.db2.gz QJRYECCUSRFNDN-UHFFFAOYSA-N -1 3 403.438 3.665 20 0 HHADHM CC(C)c1ccc(CCCNC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436823861 981577264 /nfs/dbraw/zinc/57/72/64/981577264.db2.gz DJZVNTOWSAMWFS-UHFFFAOYSA-N -1 3 409.530 3.616 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)c([O-])c1 ZINC000436828696 981579577 /nfs/dbraw/zinc/57/95/77/981579577.db2.gz ZNAXEMDETFEKRN-UHFFFAOYSA-N -1 3 416.437 3.662 20 0 HHADHM CC(C)c1ccc(C(=O)N(C)[C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)c([O-])c1 ZINC000436830022 981580277 /nfs/dbraw/zinc/58/02/77/981580277.db2.gz UJQSPYCLGJUYCN-INIZCTEOSA-N -1 3 416.543 3.889 20 0 HHADHM C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])c1nc(C(C)(C)C)cs1 ZINC000436833994 981581565 /nfs/dbraw/zinc/58/15/65/981581565.db2.gz KXSVLWFYIDYJRV-HIFRSBDPSA-N -1 3 401.532 3.628 20 0 HHADHM O=C(NCC1(c2ccc(F)cc2Cl)CC1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436842465 981585685 /nfs/dbraw/zinc/58/56/85/981585685.db2.gz XXLHLTQZVXIYIG-GOSISDBHSA-N -1 3 416.880 3.637 20 0 HHADHM CCOc1cc(Cl)ccc1NC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436843901 981586291 /nfs/dbraw/zinc/58/62/91/981586291.db2.gz KVHHCMPAGVOYLT-UHFFFAOYSA-N -1 3 417.893 3.871 20 0 HHADHM Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1NC(=O)C(C)(C)C ZINC000436848280 981588836 /nfs/dbraw/zinc/58/88/36/981588836.db2.gz OARMUZMPDQUJKQ-IBGZPJMESA-N -1 3 423.513 3.929 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCCC[C@@H]1c1cc[nH]n1 ZINC000436856868 981594158 /nfs/dbraw/zinc/59/41/58/981594158.db2.gz VKTOOUVPERVEHL-FCHUYYIVSA-N -1 3 418.497 3.730 20 0 HHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1cc(C(F)(F)F)ccc1F ZINC000436872566 981598170 /nfs/dbraw/zinc/59/81/70/981598170.db2.gz ULHWDVJVXRPRIU-UHFFFAOYSA-N -1 3 410.367 3.585 20 0 HHADHM CC(C)c1ccc2c(c1)[C@H](NC(=O)N1CCN(C(=O)c3ccccc3[O-])CC1)CC2 ZINC000436871659 981598210 /nfs/dbraw/zinc/59/82/10/981598210.db2.gz RDIZAAODVJCIOI-OAQYLSRUSA-N -1 3 407.514 3.671 20 0 HHADHM COCCNC(=O)c1cccc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])c1 ZINC000436876187 981599042 /nfs/dbraw/zinc/59/90/42/981599042.db2.gz XDYJGUNQYAYQPB-UHFFFAOYSA-N -1 3 420.465 3.600 20 0 HHADHM Cc1cc(C)nc(N2CCN(C(=O)c3cc(Oc4ccccc4)ccc3[O-])CC2)n1 ZINC000436882507 981600323 /nfs/dbraw/zinc/60/03/23/981600323.db2.gz SEHZRDRRIDGOSC-UHFFFAOYSA-N -1 3 404.470 3.554 20 0 HHADHM C[C@H](CC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccccc1C(F)(F)F ZINC000436883735 981600675 /nfs/dbraw/zinc/60/06/75/981600675.db2.gz BVUKMEDZLAOBDM-OAHLLOKOSA-N -1 3 420.431 3.889 20 0 HHADHM CC(C)(C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1cccc(C(F)(F)F)c1 ZINC000436885155 981600991 /nfs/dbraw/zinc/60/09/91/981600991.db2.gz IQYCEMCJZGZCMM-UHFFFAOYSA-N -1 3 420.431 3.673 20 0 HHADHM O=C(CCCc1csc2ccccc12)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436887140 981601736 /nfs/dbraw/zinc/60/17/36/981601736.db2.gz PFQRXYUHFRINEU-UHFFFAOYSA-N -1 3 408.523 3.914 20 0 HHADHM C[C@@H]1CCC[C@H](OCCCCCC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC000436887982 981602200 /nfs/dbraw/zinc/60/22/00/981602200.db2.gz SAXGCVFLFKTSKY-KNQAVFIVSA-N -1 3 416.562 3.832 20 0 HHADHM Cc1cc(CN2C(=O)c3ccccc3C2=O)cc(-c2nc(-c3cccnc3)no2)c1[O-] ZINC000436894442 981603933 /nfs/dbraw/zinc/60/39/33/981603933.db2.gz SWZKAACJYMTNLP-UHFFFAOYSA-N -1 3 412.405 3.609 20 0 HHADHM O=C(N[C@H]1CC=C(c2ccc(F)cc2)CC1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436895348 981604431 /nfs/dbraw/zinc/60/44/31/981604431.db2.gz UMWMYSIBETYZJI-FQEVSTJZSA-N -1 3 423.488 3.635 20 0 HHADHM CN1CCC[C@H](CNC(=O)C(=O)c2ccc([O-])cc2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000436898534 981606080 /nfs/dbraw/zinc/60/60/80/981606080.db2.gz YNBCTQXETIWYSS-VQIMIIECSA-N -1 3 420.431 3.793 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCCc1ccc(F)cc1 ZINC000436900950 981607127 /nfs/dbraw/zinc/60/71/27/981607127.db2.gz FQRDHTSZSVGFAO-JOCHJYFZSA-N -1 3 406.457 3.751 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1ccc2c(c1)OCCO2 ZINC000436901281 981607778 /nfs/dbraw/zinc/60/77/78/981607778.db2.gz GORSYKCIJXWYRL-HXUWFJFHSA-N -1 3 418.449 3.663 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000436902280 981608427 /nfs/dbraw/zinc/60/84/27/981608427.db2.gz FARFDJLZBZPBOL-XPWALMASSA-N -1 3 400.478 3.926 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCCc1cccc(F)c1 ZINC000436902606 981608477 /nfs/dbraw/zinc/60/84/77/981608477.db2.gz KDUZDZHWUCUIBL-JOCHJYFZSA-N -1 3 406.457 3.751 20 0 HHADHM CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000436904088 981610063 /nfs/dbraw/zinc/61/00/63/981610063.db2.gz VKGWWSFCPLHSIK-UHFFFAOYSA-N -1 3 406.866 3.554 20 0 HHADHM Cc1ccc(-c2nc(Cc3nc4ccc(Br)cc4c(=O)[nH]3)no2)c([O-])c1 ZINC000436906240 981612706 /nfs/dbraw/zinc/61/27/06/981612706.db2.gz VOSNLNSZMCUZAW-UHFFFAOYSA-N -1 3 413.231 3.753 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1cccc2c1OCCO2 ZINC000436909417 981614449 /nfs/dbraw/zinc/61/44/49/981614449.db2.gz LPYFZEGHNIZMKG-FQEVSTJZSA-N -1 3 418.449 3.663 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1ccc2c(c1)CCO2 ZINC000436910055 981615232 /nfs/dbraw/zinc/61/52/32/981615232.db2.gz BSGQQCGWKCTBDD-OAQYLSRUSA-N -1 3 402.450 3.827 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N(Cc1cccnc1)C1CC1 ZINC000436916267 981620855 /nfs/dbraw/zinc/62/08/55/981620855.db2.gz VLUUOERONRBTMC-QHCPKHFHSA-N -1 3 415.493 3.840 20 0 HHADHM Cn1cccc1[C@@H]1CCCN1C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436916501 981622154 /nfs/dbraw/zinc/62/21/54/981622154.db2.gz WUQJMDCBSJLPEK-GMAHTHKFSA-N -1 3 417.509 3.956 20 0 HHADHM Cc1ccc(C(=O)N(CCc2ccc(Cl)cc2)C[C@H](O)C(F)(F)F)c([O-])c1 ZINC000436920691 981625030 /nfs/dbraw/zinc/62/50/30/981625030.db2.gz AHCZNXSPCNKRLH-KRWDZBQOSA-N -1 3 401.812 3.962 20 0 HHADHM O=C(Nc1cccc(OC(F)(F)F)c1)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436922381 981626174 /nfs/dbraw/zinc/62/61/74/981626174.db2.gz XOQBBCBEYKKHPZ-UHFFFAOYSA-N -1 3 423.391 3.717 20 0 HHADHM Cc1csc([C@H](C)NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)n1 ZINC000436922013 981626224 /nfs/dbraw/zinc/62/62/24/981626224.db2.gz LTAMXMGGAGMNBJ-KXBFYZLASA-N -1 3 409.511 3.896 20 0 HHADHM CCCN(CCN1CCN(CC)CC1)C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000436926453 981628552 /nfs/dbraw/zinc/62/85/52/981628552.db2.gz LPCUTQJXYQRWPK-UHFFFAOYSA-N -1 3 403.954 3.689 20 0 HHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)Nc3cnc(C(C)C)nc3)cs2)c1 ZINC000436929946 981630293 /nfs/dbraw/zinc/63/02/93/981630293.db2.gz WAOHBBCPQQDCRY-UHFFFAOYSA-N -1 3 411.487 3.504 20 0 HHADHM CCCCCOc1ccc(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436944042 981636995 /nfs/dbraw/zinc/63/69/95/981636995.db2.gz IRIZWCMVFRJMAY-UHFFFAOYSA-N -1 3 410.514 3.996 20 0 HHADHM Cc1cccc2c(CCC(=O)NC3CCN(C(=O)c4ccccc4[O-])CC3)c[nH]c21 ZINC000436946168 981638582 /nfs/dbraw/zinc/63/85/82/981638582.db2.gz WDPFWKPQLQZMTN-UHFFFAOYSA-N -1 3 405.498 3.536 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C)C2C3CC4CC(C3)CC2C4)c1 ZINC000436949644 981640074 /nfs/dbraw/zinc/64/00/74/981640074.db2.gz AFUYUQZJJPKYMX-UHFFFAOYSA-N -1 3 409.486 3.838 20 0 HHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCOC[C@H]1[C@H]1CCCCC1=O ZINC000436951786 981642083 /nfs/dbraw/zinc/64/20/83/981642083.db2.gz TVNAWDMDNZFBFV-IRLDBZIGSA-N -1 3 407.510 3.778 20 0 HHADHM Cc1ccc(C(=O)N2CCC[C@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)c([O-])c1 ZINC000436952455 981642257 /nfs/dbraw/zinc/64/22/57/981642257.db2.gz WPIUSKLAYBZMDD-KRWDZBQOSA-N -1 3 404.470 3.696 20 0 HHADHM CC1(Cn2cc(C(=O)Nc3ccc([O-])c(-c4nc5ccccc5s4)c3)nn2)COC1 ZINC000436953254 981642998 /nfs/dbraw/zinc/64/29/98/981642998.db2.gz NMEZZXAVXDLLNE-UHFFFAOYSA-N -1 3 421.482 3.549 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)N(CC(C)C)[C@@H]2CCCc3cccnc32)c([O-])c1 ZINC000436956505 981645563 /nfs/dbraw/zinc/64/55/63/981645563.db2.gz MWOIGDHJZYSKBI-HXUWFJFHSA-N -1 3 409.530 3.778 20 0 HHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000436957155 981645666 /nfs/dbraw/zinc/64/56/66/981645666.db2.gz WDOPFGWTGDCGPW-JKSUJKDBSA-N -1 3 416.880 3.709 20 0 HHADHM O=C(CC(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)NCC(F)(F)F ZINC000436956605 981645718 /nfs/dbraw/zinc/64/57/18/981645718.db2.gz NTXFAWQAEKPOLY-UHFFFAOYSA-N -1 3 409.389 3.676 20 0 HHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000436957149 981645761 /nfs/dbraw/zinc/64/57/61/981645761.db2.gz WDOPFGWTGDCGPW-CVEARBPZSA-N -1 3 416.880 3.709 20 0 HHADHM CCOCCOc1ccc(Br)cc1NC(=O)c1cc2c(cc1[O-])OCO2 ZINC000436957453 981646351 /nfs/dbraw/zinc/64/63/51/981646351.db2.gz UYCPYBPVVBMMEN-UHFFFAOYSA-N -1 3 424.247 3.551 20 0 HHADHM CCO[C@@H](CCNC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-])C1CCCC1 ZINC000436958888 981648083 /nfs/dbraw/zinc/64/80/83/981648083.db2.gz AIMGRVABDSTLBV-FQEVSTJZSA-N -1 3 415.490 3.656 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc(Sc3ncccn3)cc2C)c([O-])c1 ZINC000436962546 981650379 /nfs/dbraw/zinc/65/03/79/981650379.db2.gz XKSHPKGJQZSRPW-UHFFFAOYSA-N -1 3 422.510 3.709 20 0 HHADHM CC[C@@H](NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-])c1nc2ccccc2[nH]1 ZINC000436964573 981652180 /nfs/dbraw/zinc/65/21/80/981652180.db2.gz RLRHHSMZLKLFRY-MRXNPFEDSA-N -1 3 419.441 3.698 20 0 HHADHM CCCCOc1ccc(C(=O)N2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)c([O-])c1 ZINC000436972936 981658696 /nfs/dbraw/zinc/65/86/96/981658696.db2.gz RDRNPJSLYSERKX-KRWDZBQOSA-N -1 3 415.465 3.746 20 0 HHADHM O=C(Nc1ccccc1N1CCN(CCc2ccncc2)CC1)c1c([O-])cccc1F ZINC000436978504 981662698 /nfs/dbraw/zinc/66/26/98/981662698.db2.gz IFPRDJNHZJXPPX-UHFFFAOYSA-N -1 3 420.488 3.543 20 0 HHADHM CCc1cnccc1[C@@H](C)NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000436978703 981662802 /nfs/dbraw/zinc/66/28/02/981662802.db2.gz HYVXDQQWDKCQAS-CQSZACIVSA-N -1 3 424.526 3.787 20 0 HHADHM CS[C@H](CNC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1)C(C)(C)C ZINC000436980807 981664302 /nfs/dbraw/zinc/66/43/02/981664302.db2.gz OPOGTQSSKAHOSQ-MRXNPFEDSA-N -1 3 421.588 3.846 20 0 HHADHM Cc1cnc([C@@H](C)NC(=O)Cc2csc(NC(=O)c3cc(C)ccc3[O-])n2)s1 ZINC000436980780 981664497 /nfs/dbraw/zinc/66/44/97/981664497.db2.gz PATMLYHLJPIRCL-GFCCVEGCSA-N -1 3 416.528 3.594 20 0 HHADHM COC(=O)COc1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])cc1 ZINC000436981608 981665162 /nfs/dbraw/zinc/66/51/62/981665162.db2.gz RBKYEOGWMLLOOF-UHFFFAOYSA-N -1 3 407.422 3.775 20 0 HHADHM CCCOc1ccc(CNC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])c(C)c1 ZINC000436983783 981666720 /nfs/dbraw/zinc/66/67/20/981666720.db2.gz LBKCIUIIHMIAEQ-UHFFFAOYSA-N -1 3 423.469 3.968 20 0 HHADHM CC(C)N(Cc1ccc(NC(=O)C(=O)c2ccc([O-])cc2)cc1)C[C@H]1CCCCO1 ZINC000436984945 981667601 /nfs/dbraw/zinc/66/76/01/981667601.db2.gz CBPSBYSHAHIHPQ-JOCHJYFZSA-N -1 3 410.514 3.993 20 0 HHADHM CCC(CC)[C@@H]1C[C@H](NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])CCO1 ZINC000436985583 981668393 /nfs/dbraw/zinc/66/83/93/981668393.db2.gz CXCBXCSCOVGQTD-UZLBHIALSA-N -1 3 415.490 3.655 20 0 HHADHM CCCCOc1ccc(C(=O)N2CCN(C(=O)c3ccc(C)c(F)c3)CC2)c([O-])c1 ZINC000436987781 981669980 /nfs/dbraw/zinc/66/99/80/981669980.db2.gz KAFNSOYIMALFSV-UHFFFAOYSA-N -1 3 414.477 3.617 20 0 HHADHM C[C@@H]1N(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCC12CCOCC2 ZINC000436993048 981673117 /nfs/dbraw/zinc/67/31/17/981673117.db2.gz XZVHPYGWCMLIFF-AVRDEDQJSA-N -1 3 422.525 3.671 20 0 HHADHM C[C@@H]1C[C@@]2(CCO1)CN(C(=O)c1cc(CCc3ccccc3)ccc1[O-])C[C@H](C)O2 ZINC000436995612 981675119 /nfs/dbraw/zinc/67/51/19/981675119.db2.gz BIZGKQBCKMHBMF-WYEJZRMESA-N -1 3 409.526 3.976 20 0 HHADHM CCCOc1ccc(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1Cl ZINC000436998367 981676846 /nfs/dbraw/zinc/67/68/46/981676846.db2.gz BNQLSSGARFUETQ-UHFFFAOYSA-N -1 3 417.893 3.824 20 0 HHADHM CC[C@H]1CN(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)ccc2C)CCS1 ZINC000437147257 981796268 /nfs/dbraw/zinc/79/62/68/981796268.db2.gz DQKOKJXHMBYWRR-HNNXBMFYSA-N -1 3 422.547 3.903 20 0 HHADHM CCC[C@H](C)[N-]S(=O)(=O)c1cc(-c2nc(N(C)C)no2)c(Cl)cc1Cl ZINC000460145424 981917973 /nfs/dbraw/zinc/91/79/73/981917973.db2.gz HOBJLUZOHAZCKS-VIFPVBQESA-N -1 3 407.323 3.576 20 0 HHADHM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)o1 ZINC000437463109 982094988 /nfs/dbraw/zinc/09/49/88/982094988.db2.gz QOIDYTNJAMAJDM-QRWLVFNGSA-N -1 3 420.513 3.974 20 0 HHADHM Cc1csc(C2([N-]S(=O)(=O)c3cnc(-c4ccccc4)nc3)CCCC2)n1 ZINC000460553952 982340377 /nfs/dbraw/zinc/34/03/77/982340377.db2.gz NLSZCWGPVOINNG-UHFFFAOYSA-N -1 3 400.529 3.656 20 0 HHADHM COC(=O)c1cc(Cl)c([N-]S(=O)(=O)c2c(C)cc(C)cc2OC)cc1OC ZINC000460755718 982512095 /nfs/dbraw/zinc/51/20/95/982512095.db2.gz IMQMRODDQUCEBK-UHFFFAOYSA-N -1 3 413.879 3.561 20 0 HHADHM COc1ccc([C@@H](Cc2ccccc2)NC(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000460831172 982581508 /nfs/dbraw/zinc/58/15/08/982581508.db2.gz VDQGCSHTRWXGCR-MRXNPFEDSA-N -1 3 419.407 3.615 20 0 HHADHM COC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(CSC(C)C)c2C)cc1 ZINC000460843054 982590831 /nfs/dbraw/zinc/59/08/31/982590831.db2.gz QJXKLSQDAYOQJV-UHFFFAOYSA-N -1 3 423.556 3.989 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2ncc(-c3ccccc3)cn2)s1 ZINC000460905831 982641645 /nfs/dbraw/zinc/64/16/45/982641645.db2.gz CHNWWRKXSQXSBX-UHFFFAOYSA-N -1 3 424.345 3.755 20 0 HHADHM CCc1ncc(S(=O)(=O)[N-][C@H](C)[C@@H](OC)c2ccc(Br)cc2)s1 ZINC000460918685 982655018 /nfs/dbraw/zinc/65/50/18/982655018.db2.gz BENNQURKWCGGJH-MEBBXXQBSA-N -1 3 419.366 3.523 20 0 HHADHM COC(=O)c1ccccc1-c1ccc(C[N-]c2nnc([C@H]3Cc4ccccc4O3)o2)o1 ZINC000438248260 982680196 /nfs/dbraw/zinc/68/01/96/982680196.db2.gz NZCACXDZVFAEIT-HXUWFJFHSA-N -1 3 417.421 4.405 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCc2ccccc2N(C)C(C)C)c1 ZINC000438466762 982818810 /nfs/dbraw/zinc/81/88/10/982818810.db2.gz FYAVVZZSJOYRSC-UHFFFAOYSA-N -1 3 422.485 3.716 20 0 HHADHM CC(C)c1cnc(-c2ccc(NC(=O)NCCNC(=O)c3ccc([O-])cc3)cc2)o1 ZINC000438479926 982828787 /nfs/dbraw/zinc/82/87/87/982828787.db2.gz QTFFZOVBYOPANA-UHFFFAOYSA-N -1 3 408.458 3.722 20 0 HHADHM COC(C)(C)C[C@@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000461202633 982917757 /nfs/dbraw/zinc/91/77/57/982917757.db2.gz RVKQSSLBMAXBRZ-CQSZACIVSA-N -1 3 408.495 3.560 20 0 HHADHM O=C(c1c[n-]c2c(Cl)cc(Br)cc2c1=O)N1CC2(CCC2(F)F)C1 ZINC000461262836 982969480 /nfs/dbraw/zinc/96/94/80/982969480.db2.gz AIJQXEPEBQQHIL-UHFFFAOYSA-N -1 3 417.637 3.815 20 0 HHADHM CC(=O)Nc1ccc(C)cc1[N-]S(=O)(=O)CCc1ccccc1Br ZINC000461331673 983022803 /nfs/dbraw/zinc/02/28/03/983022803.db2.gz LCCLIQVJLJCYEJ-UHFFFAOYSA-N -1 3 411.321 3.700 20 0 HHADHM O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000461333208 983023897 /nfs/dbraw/zinc/02/38/97/983023897.db2.gz MNUHUGJQNVUHLN-HZSPNIEDSA-N -1 3 419.374 3.747 20 0 HHADHM O=C1CCCN1c1ccccc1[N-]S(=O)(=O)CCc1ccccc1Br ZINC000461344262 983029622 /nfs/dbraw/zinc/02/96/22/983029622.db2.gz MZBKQZJMPVOGIV-UHFFFAOYSA-N -1 3 423.332 3.560 20 0 HHADHM CCOc1cc(N2CCN(C)CC2)ccc1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC000438789803 983071903 /nfs/dbraw/zinc/07/19/03/983071903.db2.gz XHTUDABGJYUVQW-UHFFFAOYSA-N -1 3 417.575 3.761 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]Cc1ccc(SC)cc1 ZINC000438905062 983145947 /nfs/dbraw/zinc/14/59/47/983145947.db2.gz VUYAIQBPLHFZLS-UHFFFAOYSA-N -1 3 407.538 3.888 20 0 HHADHM CC[C@H](C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C)c1cccc(C(F)(F)F)c1 ZINC000461610545 983237527 /nfs/dbraw/zinc/23/75/27/983237527.db2.gz BELOYZLUXNTDJM-ZDUSSCGKSA-N -1 3 407.392 3.734 20 0 HHADHM Cn1c2cc([O-])c(NC(=O)c3cc(C4CC4)nc4ccc(Cl)cc43)cc2n(C)c1=O ZINC000461612551 983238921 /nfs/dbraw/zinc/23/89/21/983238921.db2.gz IQGCLHIGLDYMNP-UHFFFAOYSA-N -1 3 422.872 3.914 20 0 HHADHM CCCCCc1ccc(C(=O)CCC(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)cc1 ZINC000461617388 983241695 /nfs/dbraw/zinc/24/16/95/983241695.db2.gz KLPIBNVQOAIRKF-UHFFFAOYSA-N -1 3 423.513 3.917 20 0 HHADHM Cc1cc(O)c(C(C)C)cc1NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000439220252 983315695 /nfs/dbraw/zinc/31/56/95/983315695.db2.gz CZOBFLWEMAAJJD-UHFFFAOYSA-N -1 3 406.486 3.849 20 0 HHADHM CC(C)NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cnc3ccsc3c2)c1 ZINC000439573247 983456251 /nfs/dbraw/zinc/45/62/51/983456251.db2.gz SKNBGARFYSEPSY-UHFFFAOYSA-N -1 3 409.920 3.889 20 0 HHADHM C[C@H](c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)c1)N1CCOCC1 ZINC000439870415 983563065 /nfs/dbraw/zinc/56/30/65/983563065.db2.gz GCYIPVGPNLLJKV-MRXNPFEDSA-N -1 3 416.543 3.594 20 0 HHADHM COc1ccc(NC(=O)c2cnc3c(cnn3C)c2[O-])c(OCc2ccccc2)c1 ZINC000439871695 983563367 /nfs/dbraw/zinc/56/33/67/983563367.db2.gz KIAJBODUUYYRIC-UHFFFAOYSA-N -1 3 404.426 3.514 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCC([C@@H]2CCCO2)CC1 ZINC000439893404 983573443 /nfs/dbraw/zinc/57/34/43/983573443.db2.gz KVFGBENJMPWVFF-PKTZIBPZSA-N -1 3 422.525 3.671 20 0 HHADHM CC[C@@H](CNC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)Oc1ccccc1C(F)(F)F ZINC000440328320 983723871 /nfs/dbraw/zinc/72/38/71/983723871.db2.gz QIAMOCSMFSOTJR-LBPRGKRZSA-N -1 3 421.375 3.568 20 0 HHADHM CCN(Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1)c1ccc(Cl)cc1F ZINC000440615029 983820222 /nfs/dbraw/zinc/82/02/22/983820222.db2.gz OJKUAANGKXEEMK-UHFFFAOYSA-N -1 3 409.870 3.899 20 0 HHADHM O=C(NCC1(c2cccc(C(F)(F)F)c2)CCC1)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000440713130 983864776 /nfs/dbraw/zinc/86/47/76/983864776.db2.gz MUHLIYXBJMWBJY-UHFFFAOYSA-N -1 3 417.387 3.832 20 0 HHADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2F)cc1Cl ZINC000440832417 983928623 /nfs/dbraw/zinc/92/86/23/983928623.db2.gz LEECBGOYCCAKAB-UHFFFAOYSA-N -1 3 401.843 3.854 20 0 HHADHM Cc1ccc([C@@H](Cn2ccnc2)[N-]S(=O)(=O)c2ccc(F)c(F)c2F)c(C)c1 ZINC000441844558 984494624 /nfs/dbraw/zinc/49/46/24/984494624.db2.gz BWDRTBJMRGIBMC-MRXNPFEDSA-N -1 3 409.433 3.637 20 0 HHADHM Cc1nc(NC(=O)NCCNC(=O)c2ccc([O-])cc2)sc1Cc1ccc(C)cc1 ZINC000441949185 984559553 /nfs/dbraw/zinc/55/95/53/984559553.db2.gz DOJGYBNQFXXCNT-UHFFFAOYSA-N -1 3 424.526 3.608 20 0 HHADHM CC(C)(C)c1nc2ccc(NC(=O)C(=O)NCc3ccc([O-])c(F)c3)cc2s1 ZINC000441999307 984587039 /nfs/dbraw/zinc/58/70/39/984587039.db2.gz LFNDWVKVAGKNEX-UHFFFAOYSA-N -1 3 401.463 3.693 20 0 HHADHM CC(C)(C)[C@H]1CCc2nc(NC(=O)NCc3nc(C(F)(F)F)n[n-]3)sc2C1 ZINC000442082676 984627666 /nfs/dbraw/zinc/62/76/66/984627666.db2.gz UCPJHOCYABLDBC-QMMMGPOBSA-N -1 3 402.446 3.753 20 0 HHADHM O=C(Nc1cc(Cl)cc(F)c1F)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000442168258 984690909 /nfs/dbraw/zinc/69/09/09/984690909.db2.gz IMQIVTMOIMHUOL-UHFFFAOYSA-N -1 3 409.820 3.750 20 0 HHADHM COC[C@H](C)[C@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000461772918 984773204 /nfs/dbraw/zinc/77/32/04/984773204.db2.gz DDODVHBNRHICHO-GJZGRUSLSA-N -1 3 408.495 3.792 20 0 HHADHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)Nc2cccc(C(C)C)c2)CCCC1 ZINC000462048403 985022669 /nfs/dbraw/zinc/02/26/69/985022669.db2.gz SHPUKVLOZWXXCS-UHFFFAOYSA-N -1 3 405.520 3.645 20 0 HHADHM O=S(=O)([N-]C[C@H]1CCN(c2ccccc2F)C1)c1cccc(Cl)c1Cl ZINC000462126061 985096210 /nfs/dbraw/zinc/09/62/10/985096210.db2.gz MHDJVVJWDNCGCG-GFCCVEGCSA-N -1 3 403.306 3.937 20 0 HHADHM O=C(N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1)c1cn2c(n1)CCCC2 ZINC000442690658 985160977 /nfs/dbraw/zinc/16/09/77/985160977.db2.gz WLUDMKXHIIZFLD-UHFFFAOYSA-N -1 3 420.698 3.700 20 0 HHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1cc(-c2ccccc2C(F)(F)F)on1 ZINC000462192073 985174625 /nfs/dbraw/zinc/17/46/25/985174625.db2.gz SEWBBIBSMSEZJG-UHFFFAOYSA-N -1 3 414.347 3.717 20 0 HHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1cc(-c2ccccc2C(F)(F)F)on1 ZINC000462192073 985174641 /nfs/dbraw/zinc/17/46/41/985174641.db2.gz SEWBBIBSMSEZJG-UHFFFAOYSA-N -1 3 414.347 3.717 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000442728877 985189052 /nfs/dbraw/zinc/18/90/52/985189052.db2.gz HEXWGIBSASWQJF-NSHDSACASA-N -1 3 419.396 3.713 20 0 HHADHM COc1ccc(C2(C[N-]S(=O)(=O)c3cnccc3C(F)(F)F)CCC2)cc1 ZINC000442739459 985196107 /nfs/dbraw/zinc/19/61/07/985196107.db2.gz CBHAQXDFNBXUPE-UHFFFAOYSA-N -1 3 400.422 3.509 20 0 HHADHM Cc1ccc([C@@H]2OCCC[C@@H]2[N-]S(=O)(=O)c2cnccc2C(F)(F)F)cc1 ZINC000442739791 985196190 /nfs/dbraw/zinc/19/61/90/985196190.db2.gz TVOYEXAMKRIBCA-RDJZCZTQSA-N -1 3 400.422 3.607 20 0 HHADHM O=S(=O)([N-][C@H]1CCc2c1cccc2Br)c1cnccc1C(F)(F)F ZINC000442743587 985198778 /nfs/dbraw/zinc/19/87/78/985198778.db2.gz QRABMZTUQUWDGG-ZDUSSCGKSA-N -1 3 421.238 3.829 20 0 HHADHM Cc1ccc([C@@H]2OCCC[C@H]2C[N-]S(=O)(=O)c2cnccc2C(F)(F)F)cc1 ZINC000442744433 985199707 /nfs/dbraw/zinc/19/97/07/985199707.db2.gz SJOHGSNGYVIRIE-YJBOKZPZSA-N -1 3 414.449 3.855 20 0 HHADHM C[C@H]1OCC[C@H]1S(=O)(=O)[N-]C1(c2noc(C3CCCCC3)n2)CCCCCC1 ZINC000442751378 985202575 /nfs/dbraw/zinc/20/25/75/985202575.db2.gz KOVYMGAEKBERTJ-NVXWUHKLSA-N -1 3 411.568 3.764 20 0 HHADHM C[C@@H]1OCC[C@@H]1S(=O)(=O)[N-]C1(c2noc(C3CCCCC3)n2)CCCCCC1 ZINC000442751380 985203105 /nfs/dbraw/zinc/20/31/05/985203105.db2.gz KOVYMGAEKBERTJ-RDJZCZTQSA-N -1 3 411.568 3.764 20 0 HHADHM O=S(=O)([N-][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1cnccc1C(F)(F)F ZINC000442761983 985206934 /nfs/dbraw/zinc/20/69/34/985206934.db2.gz ZJQROWXLFSRXDF-HIFRSBDPSA-N -1 3 424.803 3.701 20 0 HHADHM CO[C@H](c1ccccc1Cl)[C@H](C)[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000442765610 985208318 /nfs/dbraw/zinc/20/83/18/985208318.db2.gz VOQWICMZAXEHPM-BONVTDFDSA-N -1 3 408.829 3.808 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H](C)c1c(F)cccc1OC ZINC000442847955 985244977 /nfs/dbraw/zinc/24/49/77/985244977.db2.gz RCTKCOBEPRVOGT-NSHDSACASA-N -1 3 423.487 3.875 20 0 HHADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H](C)c3cccc(Br)c3)nc21 ZINC000462260211 985247411 /nfs/dbraw/zinc/24/74/11/985247411.db2.gz SKGHUCYOIKHMIR-SNVBAGLBSA-N -1 3 402.248 3.854 20 0 HHADHM CC(C)(C)c1csc(C[N-]S(=O)(=O)c2ccc(Br)c(F)c2)n1 ZINC000462286616 985274218 /nfs/dbraw/zinc/27/42/18/985274218.db2.gz GQYXCQRJTYLOHH-UHFFFAOYSA-N -1 3 407.330 3.821 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCCOc2ccccc2C)s1 ZINC000462290293 985277310 /nfs/dbraw/zinc/27/73/10/985277310.db2.gz CXAALEIVWWUQHA-UHFFFAOYSA-N -1 3 404.351 3.875 20 0 HHADHM CC(C)[C@@H](c1ccccc1)N(C)S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000442943688 985294492 /nfs/dbraw/zinc/29/44/92/985294492.db2.gz RYNMYNXLJJMQLT-KRWDZBQOSA-N -1 3 405.911 3.538 20 0 HHADHM CC(C)[C@@H](c1ccccc1)N(C)S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000442943688 985294500 /nfs/dbraw/zinc/29/45/00/985294500.db2.gz RYNMYNXLJJMQLT-KRWDZBQOSA-N -1 3 405.911 3.538 20 0 HHADHM CN1CCC[C@@H](C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)[C@@H]1c1cccs1 ZINC000462310544 985297803 /nfs/dbraw/zinc/29/78/03/985297803.db2.gz CSOOVAWPWXJKFZ-APPDUMDISA-N -1 3 404.479 3.527 20 0 HHADHM CCc1ccccc1CC(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000442955921 985300885 /nfs/dbraw/zinc/30/08/85/985300885.db2.gz MQHAQULYNIYVKS-UHFFFAOYSA-N -1 3 400.422 3.821 20 0 HHADHM COc1ccccc1[C@@]1(C)C[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000462316673 985304462 /nfs/dbraw/zinc/30/44/62/985304462.db2.gz MNHTZBRFWJUOJI-DLBZAZTESA-N -1 3 403.397 3.862 20 0 HHADHM COc1ccccc1[C@]1(C)C[C@@H]1[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000462327575 985318036 /nfs/dbraw/zinc/31/80/36/985318036.db2.gz OUONVWHGIUNPDI-IRXDYDNUSA-N -1 3 414.296 3.605 20 0 HHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCc2cc(Cl)ccc21 ZINC000443013774 985336906 /nfs/dbraw/zinc/33/69/06/985336906.db2.gz NUBKHULHDXHZPR-HNNXBMFYSA-N -1 3 400.283 3.746 20 0 HHADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000443014406 985337248 /nfs/dbraw/zinc/33/72/48/985337248.db2.gz CBVQJESAFMCYIM-INIZCTEOSA-N -1 3 422.915 3.651 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]CC2(c3cccc(F)c3)CC2)s1 ZINC000462350667 985340019 /nfs/dbraw/zinc/34/00/19/985340019.db2.gz BNKBNGBCCGOMOI-UHFFFAOYSA-N -1 3 404.326 3.968 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]Cc1cccc2cccnc21 ZINC000443036793 985347055 /nfs/dbraw/zinc/34/70/55/985347055.db2.gz JZPWOEOGRZMBIM-UHFFFAOYSA-N -1 3 412.492 3.715 20 0 HHADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@@H](c1ccc(CC(C)C)cc1)C1CC1 ZINC000443038099 985347925 /nfs/dbraw/zinc/34/79/25/985347925.db2.gz PEZVSBWUVCXZRK-KRWDZBQOSA-N -1 3 408.545 3.558 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](C)c1oc2ccc(OC)cc2c1C ZINC000443080770 985366198 /nfs/dbraw/zinc/36/61/98/985366198.db2.gz VDMKFOVJIDASMY-LBPRGKRZSA-N -1 3 421.446 3.715 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000443090430 985370334 /nfs/dbraw/zinc/37/03/34/985370334.db2.gz FVJFGDCEYCZJAS-SNVBAGLBSA-N -1 3 405.369 3.671 20 0 HHADHM CCOC(=O)[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1ccccc1 ZINC000462397743 985376318 /nfs/dbraw/zinc/37/63/18/985376318.db2.gz RNMYEQDOCAKRFI-ZDUSSCGKSA-N -1 3 402.299 3.619 20 0 HHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](c1ccc(OC)cc1)C1CC1 ZINC000443106469 985377989 /nfs/dbraw/zinc/37/79/89/985377989.db2.gz YBHHQBSFTMLJLG-SFHVURJKSA-N -1 3 409.891 3.565 20 0 HHADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@H](Cc1ccccc1)c1sccc1C ZINC000443115138 985384331 /nfs/dbraw/zinc/38/43/31/985384331.db2.gz HKEXIJGDEKWJJR-CQSZACIVSA-N -1 3 422.553 3.562 20 0 HHADHM O=C(NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000443152030 985410844 /nfs/dbraw/zinc/41/08/44/985410844.db2.gz IPPMHWJCEMMKGX-UHFFFAOYSA-N -1 3 421.350 3.581 20 0 HHADHM O=S(=O)([N-]CCc1nc2cc(Cl)ccc2s1)c1cc(F)c(F)c(F)c1 ZINC000462454035 985416663 /nfs/dbraw/zinc/41/66/63/985416663.db2.gz FXVIEUWHXORIJB-UHFFFAOYSA-N -1 3 406.838 3.888 20 0 HHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)c1ncc(-c2ccccc2)o1 ZINC000443233692 985455926 /nfs/dbraw/zinc/45/59/26/985455926.db2.gz MFEGUPLRNWROIX-GFCCVEGCSA-N -1 3 420.874 3.821 20 0 HHADHM CC(C)(C)C[C@H](O)C[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000443278181 985467111 /nfs/dbraw/zinc/46/71/11/985467111.db2.gz QIGNAAZWOMHIKY-JTQLQIEISA-N -1 3 418.275 3.543 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@H](C)N(C)c2ccccc2)s1 ZINC000462545295 985493696 /nfs/dbraw/zinc/49/36/96/985493696.db2.gz CHZPQMOWZQWPBS-NSHDSACASA-N -1 3 403.367 3.622 20 0 HHADHM O=S(=O)([N-]CC1(c2cccc(Cl)c2)CCOCC1)c1cc(F)c(F)c(F)c1 ZINC000462554680 985502473 /nfs/dbraw/zinc/50/24/73/985502473.db2.gz VGJKGJFULXHAQI-UHFFFAOYSA-N -1 3 419.852 3.784 20 0 HHADHM CCN(Cc1c[nH]c2ccccc12)C(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000443385969 985543604 /nfs/dbraw/zinc/54/36/04/985543604.db2.gz IDYKTFKGUNFWRR-UHFFFAOYSA-N -1 3 415.497 3.603 20 0 HHADHM COc1ccccc1O[C@H](C)C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000462609537 985553027 /nfs/dbraw/zinc/55/30/27/985553027.db2.gz CKMPIGNKUIJSBU-LLVKDONJSA-N -1 3 407.385 3.599 20 0 HHADHM COC(=O)c1cc([N-]S(=O)(=O)c2cccc(-c3nc(C)cs3)c2)c(F)cc1F ZINC000443403584 985557991 /nfs/dbraw/zinc/55/79/91/985557991.db2.gz PRUGFMPHWHAPHD-UHFFFAOYSA-N -1 3 424.450 3.984 20 0 HHADHM C[C@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])c1ccc(C(F)(F)F)cc1 ZINC000443404805 985559133 /nfs/dbraw/zinc/55/91/33/985559133.db2.gz URYVMNREFOYOSN-KDOFPFPSSA-N -1 3 420.431 3.936 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)[C@@H]3CC3(C)C)c2)cc1 ZINC000443410376 985565388 /nfs/dbraw/zinc/56/53/88/985565388.db2.gz ZMYJRSMCQGCLRY-KRWDZBQOSA-N -1 3 418.515 3.879 20 0 HHADHM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3cccc(F)c3-c3nc[nH]n3)c2)n1 ZINC000443410980 985566980 /nfs/dbraw/zinc/56/69/80/985566980.db2.gz SUFZZEKMJBBNDI-UHFFFAOYSA-N -1 3 415.475 3.844 20 0 HHADHM C[C@@H]([N-]S(=O)(=O)c1cccc(C(F)(F)F)c1)c1nc(-c2cccc(F)c2)no1 ZINC000462655492 985595482 /nfs/dbraw/zinc/59/54/82/985595482.db2.gz BUWOCCAVLSREKW-SNVBAGLBSA-N -1 3 415.368 3.934 20 0 HHADHM COc1ccccc1-c1noc([C@@H](C)[N-]S(=O)(=O)c2ccc3ccccc3c2)n1 ZINC000462659672 985599283 /nfs/dbraw/zinc/59/92/83/985599283.db2.gz PWQWUEVQVDMZDM-CQSZACIVSA-N -1 3 409.467 3.938 20 0 HHADHM Cn1cnc2cc(S(=O)(=O)[N-][C@@H](c3c[nH]c4ccccc43)C(F)(F)F)ccc21 ZINC000443448637 985614035 /nfs/dbraw/zinc/61/40/35/985614035.db2.gz USFBQOZHFPGPBF-KRWDZBQOSA-N -1 3 408.405 3.637 20 0 HHADHM COc1cccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3ccc(C)c4ncccc34)n2)c1 ZINC000462681421 985619987 /nfs/dbraw/zinc/61/99/87/985619987.db2.gz REAPIVUZFPYBTM-CQSZACIVSA-N -1 3 424.482 3.641 20 0 HHADHM COc1cccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccc(C)c4ncccc34)n2)c1 ZINC000462681419 985620016 /nfs/dbraw/zinc/62/00/16/985620016.db2.gz REAPIVUZFPYBTM-AWEZNQCLSA-N -1 3 424.482 3.641 20 0 HHADHM Cc1cccc(CS(=O)(=O)[N-][C@@H](Cc2ccccc2)C(=O)N(C)c2ccccc2)c1 ZINC000462704327 985648101 /nfs/dbraw/zinc/64/81/01/985648101.db2.gz LYOCDJSPTDKEPQ-QHCPKHFHSA-N -1 3 422.550 3.689 20 0 HHADHM CC(C)(C)C[C@@H](CO)[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000443491437 985666166 /nfs/dbraw/zinc/66/61/66/985666166.db2.gz QELFTVAKAUYFLB-JTQLQIEISA-N -1 3 418.275 3.543 20 0 HHADHM Cc1nc(-c2ccc(N3CCN(C/C=C\c4ccccc4)CC3)nc2)[n-]c(=O)c1C ZINC000462826679 985749302 /nfs/dbraw/zinc/74/93/02/985749302.db2.gz NHXAFAHTAWXDIR-TWGQIWQCSA-N -1 3 401.514 3.696 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCOc2ccccc2Cl)s1 ZINC000443737228 985950635 /nfs/dbraw/zinc/95/06/35/985950635.db2.gz FKYTURXEACLVNN-UHFFFAOYSA-N -1 3 410.742 3.830 20 0 HHADHM Cc1cn2c(n1)[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)CCC2 ZINC000443771120 985979609 /nfs/dbraw/zinc/97/96/09/985979609.db2.gz FTHSGJIZDRCWAB-NSHDSACASA-N -1 3 407.845 3.720 20 0 HHADHM CCOCCC1(C[N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000443773734 985981655 /nfs/dbraw/zinc/98/16/55/985981655.db2.gz QLKQZGHJKTYMQG-UHFFFAOYSA-N -1 3 400.953 3.949 20 0 HHADHM COCCOc1ccc(F)cc1S(=O)(=O)[N-]c1cc(F)ccc1Br ZINC000468371505 986070860 /nfs/dbraw/zinc/07/08/60/986070860.db2.gz FUQVYCAASLRLQH-UHFFFAOYSA-N -1 3 422.247 3.553 20 0 HHADHM CCn1nccc1[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C ZINC000443900473 986098579 /nfs/dbraw/zinc/09/85/79/986098579.db2.gz WNMAOJDORGUCCZ-SCLBCKFNSA-N -1 3 423.922 3.667 20 0 HHADHM COCCN(Cc1cccs1)C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000443903467 986101728 /nfs/dbraw/zinc/10/17/28/986101728.db2.gz DRMMVUXBPJZVOL-UHFFFAOYSA-N -1 3 421.316 3.641 20 0 HHADHM O=C([N-]c1nc2ccc(F)cn2n1)c1ccc(COc2ccc3ccccc3c2)o1 ZINC000443927177 986134001 /nfs/dbraw/zinc/13/40/01/986134001.db2.gz IDTRRJDIAZLGDU-UHFFFAOYSA-N -1 3 402.385 4.446 20 0 HHADHM Cn1c(C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)nnc1C1CCC1 ZINC000463220015 986190950 /nfs/dbraw/zinc/19/09/50/986190950.db2.gz FKRTZMBZKUWTAR-UHFFFAOYSA-N -1 3 409.726 3.521 20 0 HHADHM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1cccc(CN2CCCCC2)c1 ZINC000444030267 986225627 /nfs/dbraw/zinc/22/56/27/986225627.db2.gz DKDCPVKENJJRGL-UHFFFAOYSA-N -1 3 404.580 3.943 20 0 HHADHM COc1ccc(Br)cc1C[N-]S(=O)(=O)c1ccccc1SC ZINC000444039477 986237565 /nfs/dbraw/zinc/23/75/65/986237565.db2.gz YFYSQDAHRQFLPY-UHFFFAOYSA-N -1 3 402.335 3.658 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000468560299 986265303 /nfs/dbraw/zinc/26/53/03/986265303.db2.gz NQTRWROQDUSGMB-UHFFFAOYSA-N -1 3 413.518 3.808 20 0 HHADHM COC(=O)C[C@H]([N-]S(=O)(=O)c1ccccc1SC)c1ccc(Cl)c(F)c1 ZINC000444078454 986280648 /nfs/dbraw/zinc/28/06/48/986280648.db2.gz WEJLZGSZFHWRSI-AWEZNQCLSA-N -1 3 417.911 3.784 20 0 HHADHM CC(C)(C)NS(=O)(=O)Cc1cccc(NC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000468615316 986330256 /nfs/dbraw/zinc/33/02/56/986330256.db2.gz MDZDOUJFTUQEFQ-UHFFFAOYSA-N -1 3 422.522 3.711 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)NC1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000468643121 986357705 /nfs/dbraw/zinc/35/77/05/986357705.db2.gz NQVZRRZKQNZPMO-UHFFFAOYSA-N -1 3 406.448 3.913 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]c2cc(CN(C)C)ccc2C)s1 ZINC000444184748 986362714 /nfs/dbraw/zinc/36/27/14/986362714.db2.gz BWQVISLQPYRFED-UHFFFAOYSA-N -1 3 403.367 3.990 20 0 HHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000444214776 986397937 /nfs/dbraw/zinc/39/79/37/986397937.db2.gz ATWNBBTVFVVVBN-ZBEGNZNMSA-N -1 3 409.401 3.642 20 0 HHADHM O=S(=O)([N-]C[C@]1(O)CCC[C@H](C(F)(F)F)C1)c1cc(Cl)ccc1Cl ZINC000444215851 986399030 /nfs/dbraw/zinc/39/90/30/986399030.db2.gz BMXPZXISABXXQL-ZANVPECISA-N -1 3 406.253 3.755 20 0 HHADHM O=c1nc(CN2CC[C@](CO)(c3ccccc3)C2)[n-]c2scc(-c3ccco3)c21 ZINC000463449969 986430302 /nfs/dbraw/zinc/43/03/02/986430302.db2.gz MFLYUCNUVYYAJN-QFIPXVFZSA-N -1 3 407.495 3.793 20 0 HHADHM C[C@@H](Oc1cccc2ccccc21)C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000444261466 986458938 /nfs/dbraw/zinc/45/89/38/986458938.db2.gz YCDHGOAENHFOKR-QGZVFWFLSA-N -1 3 418.493 3.734 20 0 HHADHM O=S(=O)(Cc1c(F)cccc1F)[N-]Cc1c(F)cc(Br)cc1F ZINC000444275300 986466929 /nfs/dbraw/zinc/46/69/29/986466929.db2.gz HVXIMINBNPWPQH-UHFFFAOYSA-N -1 3 412.202 3.625 20 0 HHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1ccc(Br)c(Cl)c1F ZINC000444297772 986483677 /nfs/dbraw/zinc/48/36/77/986483677.db2.gz UJRRHBDTBMHOGB-UHFFFAOYSA-N -1 3 410.634 3.598 20 0 HHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1ccc(Br)c(Cl)c1F ZINC000444297772 986483685 /nfs/dbraw/zinc/48/36/85/986483685.db2.gz UJRRHBDTBMHOGB-UHFFFAOYSA-N -1 3 410.634 3.598 20 0 HHADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CCC[C@H]1[C@@H]1CCCCC1=O ZINC000444306316 986489884 /nfs/dbraw/zinc/48/98/84/986489884.db2.gz WEISQDPNHAFRFI-GUYCJALGSA-N -1 3 417.303 3.655 20 0 HHADHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(SC)c(Cl)c2)c(F)cc1F ZINC000463535163 986511508 /nfs/dbraw/zinc/51/15/08/986511508.db2.gz YLDPAWNEMWXGGM-UHFFFAOYSA-N -1 3 407.847 3.928 20 0 HHADHM CN(C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)[C@H](CCO)c1ccccc1 ZINC000444334878 986512180 /nfs/dbraw/zinc/51/21/80/986512180.db2.gz DOZGGPXPYKZQQW-MRXNPFEDSA-N -1 3 420.387 3.622 20 0 HHADHM CC(=O)NCc1ccc(-c2csc(NC(=O)CCCc3ccc([O-])c(F)c3)n2)o1 ZINC000468806354 986514199 /nfs/dbraw/zinc/51/41/99/986514199.db2.gz DCQUNSQQQBGBIA-UHFFFAOYSA-N -1 3 417.462 3.845 20 0 HHADHM COc1ccc(N(C)C(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)c(OC)c1 ZINC000444339039 986517418 /nfs/dbraw/zinc/51/74/18/986517418.db2.gz OJDLPEGBBDHYGC-UHFFFAOYSA-N -1 3 422.359 3.721 20 0 HHADHM C[C@H]1C[C@@H](c2cccnc2)N(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)C1 ZINC000444373921 986550418 /nfs/dbraw/zinc/55/04/18/986550418.db2.gz WWGMATXNMRSQIX-SGTLLEGYSA-N -1 3 412.287 3.909 20 0 HHADHM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1cccc(C)c1Br ZINC000468862772 986571419 /nfs/dbraw/zinc/57/14/19/986571419.db2.gz HGFJTJHUZHZFOI-UHFFFAOYSA-N -1 3 413.293 3.525 20 0 HHADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CCC(c2ccncc2)CC1 ZINC000444403054 986584359 /nfs/dbraw/zinc/58/43/59/986584359.db2.gz GGXIMNIWPRMAOI-UHFFFAOYSA-N -1 3 412.287 3.705 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCNC(=O)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000468881190 986588315 /nfs/dbraw/zinc/58/83/15/986588315.db2.gz GKNSTYHKDOLZBV-LJQANCHMSA-N -1 3 424.394 3.573 20 0 HHADHM Cc1cc(CN(C)C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)ccc1F ZINC000444437540 986623791 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CO[C@@]1(C)C[C@@H](NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)C1(C)C ZINC000465255985 989607432 /nfs/dbraw/zinc/60/74/32/989607432.db2.gz CTXZTUACMWJVMG-NQIIRXRSSA-N -1 3 420.506 3.560 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(NCCOc3ccc(C(F)(F)F)cn3)nc2)n1 ZINC000471726326 989922866 /nfs/dbraw/zinc/92/28/66/989922866.db2.gz NPZHCCXMLOIOAM-UHFFFAOYSA-N -1 3 405.380 3.711 20 0 HHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](c1nccn1C)c1ccc(F)cc1 ZINC000471794405 989979864 /nfs/dbraw/zinc/97/98/64/989979864.db2.gz TVSIIMNITWYPIO-GOSISDBHSA-N -1 3 417.437 3.821 20 0 HHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](c1nccn1C)c1ccc(F)cc1 ZINC000471794406 989979952 /nfs/dbraw/zinc/97/99/52/989979952.db2.gz TVSIIMNITWYPIO-SFHVURJKSA-N -1 3 417.437 3.821 20 0 HHADHM Cc1cc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccc4ncccc4c3)n2)ccc1F ZINC000471874797 990046419 /nfs/dbraw/zinc/04/64/19/990046419.db2.gz WEWARYNNWSGQKK-ZDUSSCGKSA-N -1 3 412.446 3.772 20 0 HHADHM CCc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3ccc4c(c3)C[C@H](C)O4)n2)cc1 ZINC000471874944 990047224 /nfs/dbraw/zinc/04/72/24/990047224.db2.gz HZCPHJKSVWHBTC-UONOGXRCSA-N -1 3 413.499 3.662 20 0 HHADHM Cc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3cccc4ncccc43)n2)cc1F ZINC000471883036 990056382 /nfs/dbraw/zinc/05/63/82/990056382.db2.gz IVLGSDMBLADNMM-ZDUSSCGKSA-N -1 3 412.446 3.772 20 0 HHADHM C[C@@H]([N-]S(=O)(=O)c1ccccc1)c1nc(-c2ccc(Br)cc2)no1 ZINC000471893207 990066053 /nfs/dbraw/zinc/06/60/53/990066053.db2.gz PMIJKKGRFRZMCT-LLVKDONJSA-N -1 3 408.277 3.539 20 0 HHADHM CCc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3cccc4ncccc43)n2)cc1 ZINC000471898918 990069424 /nfs/dbraw/zinc/06/94/24/990069424.db2.gz WUTAPTADVFNRAE-CQSZACIVSA-N -1 3 408.483 3.887 20 0 HHADHM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1ccc(-n2ccnc2)c(F)c1 ZINC000471916393 990083825 /nfs/dbraw/zinc/08/38/25/990083825.db2.gz BMSIVGVBALIHQR-UHFFFAOYSA-N -1 3 410.268 3.883 20 0 HHADHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(Br)cc2C)c(F)cc1F ZINC000471918098 990085114 /nfs/dbraw/zinc/08/51/14/990085114.db2.gz HXHBDOSUPCRCKO-UHFFFAOYSA-N -1 3 420.231 3.623 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2C)cc1NC(C)=O ZINC000471921044 990087752 /nfs/dbraw/zinc/08/77/52/990087752.db2.gz VMADXMBRMZAIBC-UHFFFAOYSA-N -1 3 413.293 3.525 20 0 HHADHM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1ccc(O[C@@H]2CCOC2)cc1 ZINC000471930807 990096792 /nfs/dbraw/zinc/09/67/92/990096792.db2.gz JBSUYEKJQMDMET-MRXNPFEDSA-N -1 3 412.305 3.726 20 0 HHADHM COc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cc([O-])c3ccccc3c2)cc1 ZINC000472027230 990199618 /nfs/dbraw/zinc/19/96/18/990199618.db2.gz LLFZQJBCWPJWST-IBGZPJMESA-N -1 3 408.479 3.708 20 0 HHADHM CC[C@@]1(C)C[C@@H]1C(=O)NCc1cccc([N-]S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000466259343 991504607 /nfs/dbraw/zinc/50/46/07/991504607.db2.gz MPSIDKQLFVIHMY-CTNGQTDRSA-N -1 3 402.516 3.548 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NCc2c(C)oc3ccccc32)cc1OC ZINC000466636475 991950603 /nfs/dbraw/zinc/95/06/03/991950603.db2.gz VELLIZFVLSBSHK-UHFFFAOYSA-N -1 3 417.487 3.833 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1cc(Cl)ccc1OCC1CCC1 ZINC000466663267 991977550 /nfs/dbraw/zinc/97/75/50/991977550.db2.gz DCTCUNVXEBGWJU-UHFFFAOYSA-N -1 3 403.792 3.978 20 0 HHADHM CC[C@@H]([N-]S(=O)(=O)c1cc(OC)ccc1OC)c1nc(C(F)(F)F)cs1 ZINC000466900007 992216866 /nfs/dbraw/zinc/21/68/66/992216866.db2.gz OIGFSDZYEDFRRT-SNVBAGLBSA-N -1 3 410.439 3.609 20 0 HHADHM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cc(-n3nnnc3C)ccc2F)cc1 ZINC000467069973 992376786 /nfs/dbraw/zinc/37/67/86/992376786.db2.gz CMFRSUSDCXZPKW-UHFFFAOYSA-N -1 3 403.483 3.598 20 0 HHADHM CCOCCOCc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)c1C ZINC000467077399 992383428 /nfs/dbraw/zinc/38/34/28/992383428.db2.gz ANIZYWUSLVUTBC-OAHLLOKOSA-N -1 3 405.516 3.672 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)NCCCc3ccc4c(c3)OCCO4)cc2)cc(=O)[n-]1 ZINC000467410639 992714756 /nfs/dbraw/zinc/71/47/56/992714756.db2.gz JCTBGUBKGHSCAK-UHFFFAOYSA-N -1 3 420.469 3.683 20 0 HHADHM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3ccc4nc(C(C)(C)C)[nH]c4c3)cc21 ZINC000467416260 992718710 /nfs/dbraw/zinc/71/87/10/992718710.db2.gz GDZSNQADHAWXOT-UHFFFAOYSA-N -1 3 412.515 3.570 20 0 HHADHM CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC[C@@H]3C)cc2C)cc1 ZINC000467427287 992726903 /nfs/dbraw/zinc/72/69/03/992726903.db2.gz BXBFVBBHMLZZTF-INIZCTEOSA-N -1 3 401.532 3.534 20 0 HHADHM CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3nc(C4CCCCC4)[nH]c3c2)cc1 ZINC000467429935 992728807 /nfs/dbraw/zinc/72/88/07/992728807.db2.gz RGEOCWXVJCQEDP-UHFFFAOYSA-N -1 3 412.515 3.771 20 0 HHADHM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CN(C)C)cc2)cc1 ZINC000467436988 992734355 /nfs/dbraw/zinc/73/43/55/992734355.db2.gz FMIGKGIBVFYJKF-UHFFFAOYSA-N -1 3 403.548 3.675 20 0 HHADHM O=S(=O)([N-]Cc1ncoc1-c1ccccc1)c1cc(Br)ccc1F ZINC000467492990 992779474 /nfs/dbraw/zinc/77/94/74/992779474.db2.gz FIZASSWLHILDJD-UHFFFAOYSA-N -1 3 411.252 3.722 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3cncc(F)c3)c2)cc1 ZINC000467641021 992903455 /nfs/dbraw/zinc/90/34/55/992903455.db2.gz QDYWLPVJPMLRLE-UHFFFAOYSA-N -1 3 415.446 3.591 20 0 HHADHM CC(C)(C)c1nnc(C[N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)s1 ZINC000467767228 993009710 /nfs/dbraw/zinc/00/97/10/993009710.db2.gz IVIRNKUABAAHIF-UHFFFAOYSA-N -1 3 413.874 3.986 20 0 HHADHM CC[C@@H]1CN(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)ccc2C)CCCO1 ZINC000467807809 993041536 /nfs/dbraw/zinc/04/15/36/993041536.db2.gz PCDAXDQRWWSVRS-MRXNPFEDSA-N -1 3 420.506 3.576 20 0 HHADHM CC(C)N1CC[C@H](NC(=O)NCc2ncccc2[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000472142253 993197571 /nfs/dbraw/zinc/19/75/71/993197571.db2.gz MPJMIVIYPXDMQB-QFBILLFUSA-N -1 3 406.889 3.603 20 0 HHADHM CNC(=O)CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cc([O-])c2ccccc2c1 ZINC000472144129 993199257 /nfs/dbraw/zinc/19/92/57/993199257.db2.gz MRNUULHBGDSTRS-UHFFFAOYSA-N -1 3 416.399 3.953 20 0 HHADHM COC(=O)c1sc2[n-]c(CN3CC[C@H](C)[C@@H]3c3cccc(F)c3)nc(=O)c2c1C ZINC000472320965 993332042 /nfs/dbraw/zinc/33/20/42/993332042.db2.gz PJIRRRGUBVUWBI-APPDUMDISA-N -1 3 415.490 3.802 20 0 HHADHM Cc1nc2cc(C(=O)N3CCC(C(=O)Nc4cc(Cl)ccc4[O-])CC3)ccc2o1 ZINC000472325303 993335376 /nfs/dbraw/zinc/33/53/76/993335376.db2.gz XXCBMIBNZUTABY-UHFFFAOYSA-N -1 3 413.861 3.986 20 0 HHADHM CCOC(=O)c1sc([C@@H](C)[N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)nc1C ZINC000472337163 993345235 /nfs/dbraw/zinc/34/52/35/993345235.db2.gz OVVPVTVOUKMOEE-SNVBAGLBSA-N -1 3 420.915 3.769 20 0 HHADHM COC(=O)c1sc2[n-]c(CN3CC[C@@H](Cc4ccccc4)[C@@H]3C)nc(=O)c2c1C ZINC000472346363 993350473 /nfs/dbraw/zinc/35/04/73/993350473.db2.gz GMKSYMLRIZFLKL-HOCLYGCPSA-N -1 3 411.527 3.533 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CC[C@H](Cc2ccccc2)[C@H]1C ZINC000472391548 993386371 /nfs/dbraw/zinc/38/63/71/993386371.db2.gz XOOZRXWCJKARGG-WIYYLYMNSA-N -1 3 416.525 3.553 20 0 HHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)Cc3cccn3C)c2)cc1 ZINC000472589283 993550663 /nfs/dbraw/zinc/55/06/63/993550663.db2.gz BPFBGLOEEYZQMT-UHFFFAOYSA-N -1 3 411.527 3.715 20 0 HHADHM Cc1nc(C2([N-]S(=O)(=O)c3ccc(Br)cc3C)CCCCC2)no1 ZINC000472601047 993556047 /nfs/dbraw/zinc/55/60/47/993556047.db2.gz RHWDQUZAJBSXPB-UHFFFAOYSA-N -1 3 414.325 3.587 20 0 HHADHM Cc1cccc(NC(=O)NCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1F ZINC000480739621 993606653 /nfs/dbraw/zinc/60/66/53/993606653.db2.gz XSOPFMPUZUVLKS-UHFFFAOYSA-N -1 3 420.293 3.541 20 0 HHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C(C)(C)c1cccc(Cl)c1F ZINC000472750897 993685591 /nfs/dbraw/zinc/68/55/91/993685591.db2.gz LUJFXVJXNMZDEJ-UHFFFAOYSA-N -1 3 403.834 3.618 20 0 HHADHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F)C(C)(C)O ZINC000480880753 993744339 /nfs/dbraw/zinc/74/43/39/993744339.db2.gz JFXOKTMXBFOQHT-LBPRGKRZSA-N -1 3 418.275 3.542 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCCC=C(C)C)c2)cc1 ZINC000480958339 993798600 /nfs/dbraw/zinc/79/86/00/993798600.db2.gz HHGWRSTUJHBDHT-UHFFFAOYSA-N -1 3 402.516 3.891 20 0 HHADHM CN(C)c1cc([N-]S(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)ccn1 ZINC000481071323 993911229 /nfs/dbraw/zinc/91/12/29/993911229.db2.gz LCXVKRYJAWTQGG-UHFFFAOYSA-N -1 3 424.242 3.730 20 0 HHADHM C[C@H](Sc1ccccc1)c1ccc(NC(=O)C(=O)NCc2ncccc2[O-])cc1 ZINC000473056379 993976268 /nfs/dbraw/zinc/97/62/68/993976268.db2.gz FHHQNRYWJJRRSL-HNNXBMFYSA-N -1 3 407.495 3.895 20 0 HHADHM O=C(NCc1ncccc1[O-])C(=O)Nc1cc(Cl)ccc1Sc1ccccc1 ZINC000473070054 993990027 /nfs/dbraw/zinc/99/00/27/993990027.db2.gz ZVHZGEPHNJKVTK-UHFFFAOYSA-N -1 3 413.886 3.847 20 0 HHADHM COc1cccc(-n2nc(C)c([C@@H]3COCCN3Cc3cc([O-])cc(F)c3)c2C)c1 ZINC000473121539 994013910 /nfs/dbraw/zinc/01/39/10/994013910.db2.gz KDQIQBHAFUNISW-QFIPXVFZSA-N -1 3 411.477 3.916 20 0 HHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)Nc3cc4c[nH]nc4cc3C)cs2)c1 ZINC000481322821 994142495 /nfs/dbraw/zinc/14/24/95/994142495.db2.gz NJSMLOZPNFSVMT-UHFFFAOYSA-N -1 3 421.482 3.775 20 0 HHADHM O=C(Cc1cscc1Br)NCc1ccc([O-])c(Br)c1 ZINC000481476361 994309993 /nfs/dbraw/zinc/30/99/93/994309993.db2.gz VEDQHWVDRMHINY-UHFFFAOYSA-N -1 3 405.111 3.838 20 0 HHADHM O=C(CCCNC(=O)c1ccc(F)cc1F)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000473597576 994477862 /nfs/dbraw/zinc/47/78/62/994477862.db2.gz NFFOQNAQHUASMI-UHFFFAOYSA-N -1 3 402.319 3.838 20 0 HHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000473613546 994494666 /nfs/dbraw/zinc/49/46/66/994494666.db2.gz HRYMZQXCYYGSHV-SMDDNHRTSA-N -1 3 422.298 3.976 20 0 HHADHM O=C(NCc1ncccc1[O-])c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 ZINC000473636740 994517677 /nfs/dbraw/zinc/51/76/77/994517677.db2.gz RMZNGZZXVMWLSC-UHFFFAOYSA-N -1 3 424.297 3.599 20 0 HHADHM O=C(NCc1ncccc1[O-])[C@@H]1CCC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1 ZINC000473638935 994520326 /nfs/dbraw/zinc/52/03/26/994520326.db2.gz GTTXZMCPGDQXTF-YKSBVNFPSA-N -1 3 415.493 3.584 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000473655547 994541078 /nfs/dbraw/zinc/54/10/78/994541078.db2.gz DHGINNXOAAEHQE-QUCCMNQESA-N -1 3 420.488 3.665 20 0 HHADHM COC[C@H](Cc1ccccc1)N(C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000473730486 994626413 /nfs/dbraw/zinc/62/64/13/994626413.db2.gz BCOAJNCALFJPMB-INIZCTEOSA-N -1 3 407.308 3.554 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)[C@H]3C[C@]3(C)C(C)C)c2)cc1 ZINC000481794781 994642644 /nfs/dbraw/zinc/64/26/44/994642644.db2.gz LGPMSXPLMCEMKL-IFMALSPDSA-N -1 3 416.543 3.794 20 0 HHADHM CCOC(=O)c1oc2ccc(S(=O)(=O)[N-]C3(C(F)(F)F)CCC3)cc2c1C ZINC000473768248 994687064 /nfs/dbraw/zinc/68/70/64/994687064.db2.gz JPTYILANYHFSMA-UHFFFAOYSA-N -1 3 405.394 3.681 20 0 HHADHM CCCN1CCN(c2ccc([N-]S(=O)(=O)c3cc(C)oc3C)c(OCC)c2)CC1 ZINC000481876241 994741472 /nfs/dbraw/zinc/74/14/72/994741472.db2.gz SIUDXEPQXMOPTD-UHFFFAOYSA-N -1 3 421.563 3.628 20 0 HHADHM Cc1cc(C)c(C[C@H](C(=O)NCc2nc(C(F)(F)F)n[n-]2)C(F)(F)F)c(C)c1 ZINC000481916105 994787952 /nfs/dbraw/zinc/78/79/52/994787952.db2.gz WQULLVDTCVJMHB-GFCCVEGCSA-N -1 3 408.346 3.786 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3C(N)=O)cc2)cc1C ZINC000481956436 994839257 /nfs/dbraw/zinc/83/92/57/994839257.db2.gz KVKDAABRKSECTQ-UHFFFAOYSA-N -1 3 412.467 3.696 20 0 HHADHM O=C(N[C@H](c1ccccc1)C(F)F)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000481962212 994849323 /nfs/dbraw/zinc/84/93/23/994849323.db2.gz JCOUOTLGBPMUPG-QGZVFWFLSA-N -1 3 423.416 3.691 20 0 HHADHM CCCCn1cc(C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)c(C)n1 ZINC000473922394 994891345 /nfs/dbraw/zinc/89/13/45/994891345.db2.gz JUNQYOAIRPFPHL-UHFFFAOYSA-N -1 3 418.441 3.634 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](CO)c3cccc(Br)c3)nc2)n1 ZINC000482004437 994907175 /nfs/dbraw/zinc/90/71/75/994907175.db2.gz BXQPZENPBUUUTH-INIZCTEOSA-N -1 3 415.291 3.715 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C[C@@H]3CCC(=O)[C@@H]3C)cc2)cc1 ZINC000474091061 995073895 /nfs/dbraw/zinc/07/38/95/995073895.db2.gz ZTPZVMLHBBKXSG-CVEARBPZSA-N -1 3 400.500 3.740 20 0 HHADHM CC[C@H]([N-]S(=O)(=O)c1cc(Br)c(C)cc1OC)c1nccs1 ZINC000474117650 995093528 /nfs/dbraw/zinc/09/35/28/995093528.db2.gz LWUMHOBTUJOCRL-NSHDSACASA-N -1 3 405.339 3.652 20 0 HHADHM Cc1nc(C)c(CCC(=O)N[C@H](c2cc(F)cc(Br)c2)C2CC2)c(=O)[n-]1 ZINC000482176174 995139141 /nfs/dbraw/zinc/13/91/41/995139141.db2.gz HKAQUROBKXIAJE-SFHVURJKSA-N -1 3 422.298 3.901 20 0 HHADHM O=C(Cc1csc(-c2ccc(Cl)s2)n1)NCc1nc(C(F)(F)F)n[n-]1 ZINC000482216965 995201898 /nfs/dbraw/zinc/20/18/98/995201898.db2.gz SOMCSLZZKDCOBE-UHFFFAOYSA-N -1 3 407.830 3.521 20 0 HHADHM O=S(=O)([N-]C[C@@H]1CCO[C@H]1c1ccccc1)c1cccc(Br)c1F ZINC000482218947 995203770 /nfs/dbraw/zinc/20/37/70/995203770.db2.gz JQDHKULQRNXTJO-GUYCJALGSA-N -1 3 414.296 3.644 20 0 HHADHM C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000482234492 995217437 /nfs/dbraw/zinc/21/74/37/995217437.db2.gz MTYIMHSWPRLRIH-BBRMVZONSA-N -1 3 407.511 3.899 20 0 HHADHM O=C(NCc1ccc(N2CCCCC2)nc1)NCc1ccc([O-])c(Br)c1 ZINC000482298405 995277814 /nfs/dbraw/zinc/27/78/14/995277814.db2.gz PPTMFIIHCKBPNZ-UHFFFAOYSA-N -1 3 419.323 3.539 20 0 HHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCC1(c2ccccc2Cl)CCOCC1 ZINC000474296191 995287107 /nfs/dbraw/zinc/28/71/07/995287107.db2.gz YYGIYKXKZYBHTI-UHFFFAOYSA-N -1 3 417.937 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HHADHM Cc1c(Br)cc(-c2nc(=O)c3c4c(sc3[n-]2)SCCC4)c(=O)n1C ZINC000483835062 996417159 /nfs/dbraw/zinc/41/71/59/996417159.db2.gz BPEBWXUTKZJGJK-UHFFFAOYSA-N -1 3 424.345 3.872 20 0 HHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)S[C@@H](CC)C(=O)OCC)nc(=O)c2c1C ZINC000475970563 996506562 /nfs/dbraw/zinc/50/65/62/996506562.db2.gz DLQULGZXDVJQGC-MNOVXSKESA-N -1 3 412.533 3.606 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)Nc1cccc(Oc2ccncc2)c1 ZINC000484006084 996517463 /nfs/dbraw/zinc/51/74/63/996517463.db2.gz MJNLHERGUPWPRL-UHFFFAOYSA-N -1 3 413.437 3.509 20 0 HHADHM CC[C@H](C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000484080180 996558675 /nfs/dbraw/zinc/55/86/75/996558675.db2.gz QQCABDUMNAZDKG-XHDPSFHLSA-N -1 3 401.854 3.501 20 0 HHADHM O=S(=O)([N-][C@H]1CCO[C@@H]1c1cccnc1)c1ccc(Cl)cc1C(F)(F)F ZINC000484083078 996560561 /nfs/dbraw/zinc/56/05/61/996560561.db2.gz RQJRLEISRBWXDZ-DZGCQCFKSA-N -1 3 406.813 3.562 20 0 HHADHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]c1cc(C)ccc1Br ZINC000484086392 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/nfs/dbraw/zinc/74/04/54/999740454.db2.gz XXKPQLGVGFXMHD-OAHLLOKOSA-N -1 3 408.520 3.594 20 0 HHADHM Cc1ccc(CN2CCCC2)cc1[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000489490036 999777396 /nfs/dbraw/zinc/77/73/96/999777396.db2.gz AQPSXNPUIMTOJP-UHFFFAOYSA-N -1 3 410.337 3.549 20 0 HHADHM Cc1cccc(CC[N-]S(=O)(=O)c2ccc(Br)cc2C(F)(F)F)n1 ZINC000480420718 999794556 /nfs/dbraw/zinc/79/45/56/999794556.db2.gz SQVMUCXSMGCAKU-UHFFFAOYSA-N -1 3 423.254 3.692 20 0 HHADHM O=S(=O)([N-]CC1(C(F)F)CC1)c1cc(Br)ccc1Br ZINC000480426119 999796061 /nfs/dbraw/zinc/79/60/61/999796061.db2.gz HYFGYVFOMVSLKK-UHFFFAOYSA-N -1 3 419.085 3.535 20 0 HHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CCc4ccc(F)cc43)nc(=O)c2c1C ZINC000489705999 999821519 /nfs/dbraw/zinc/82/15/19/999821519.db2.gz LFRPAJHAXCMRAZ-LLVKDONJSA-N -1 3 401.463 3.733 20 0 HHADHM COc1cc(C(=O)NCc2ccc(OCCC(C)C)c(OC)c2)cc(OC)c1[O-] ZINC000480627400 999844492 /nfs/dbraw/zinc/84/44/92/999844492.db2.gz ZNFQUYOWZKRFNX-UHFFFAOYSA-N -1 3 403.475 3.773 20 0 HHADHM O=S(=O)([N-]C[C@H]1CCO[C@@H]1c1ccccc1)c1ccc(Br)s1 ZINC000480668508 999855137 /nfs/dbraw/zinc/85/51/37/999855137.db2.gz SVCOYIKJVJWMIO-IUODEOHRSA-N -1 3 402.335 3.567 20 0 HHADHM O=S(=O)([N-]C[C@H]1CCO[C@@H]1c1ccccc1)c1ccc(Br)cc1F ZINC000480674833 999856254 /nfs/dbraw/zinc/85/62/54/999856254.db2.gz ZKHYTVSTNZNNMF-CXAGYDPISA-N -1 3 414.296 3.644 20 0 HHADHM Cc1nn(CC(F)(F)F)c(C)c1CC(=O)Nc1cc(Br)ccc1[O-] ZINC000490031595 999881447 /nfs/dbraw/zinc/88/14/47/999881447.db2.gz HSOGJRAEPNFBTR-UHFFFAOYSA-N -1 3 406.202 3.712 20 0 HHADHM CC(C)[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)C1(CO)CCC1 ZINC000490104585 999893778 /nfs/dbraw/zinc/89/37/78/999893778.db2.gz OIXMTVNXWXETOH-CQSZACIVSA-N -1 3 410.761 3.568 20 0 HHADHM Cn1c2ccccc2nc1[C@@H]1CCCN1C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000490110556 999894455 /nfs/dbraw/zinc/89/44/55/999894455.db2.gz CKWVYRCXJHSAMS-SFHVURJKSA-N -1 3 408.408 3.670 20 0 HHADHM Cc1[n-]c(S(=O)(=O)Cc2cccc(C(=O)NCC(C)C)c2)nc1-c1ccccc1 ZINC000490422441 999955228 /nfs/dbraw/zinc/95/52/28/999955228.db2.gz KFRCUNMFATZLPX-UHFFFAOYSA-N -1 3 411.527 3.745 20 0 HHADHM Cc1nc(S(=O)(=O)Cc2cccc(C(=O)NCC(C)C)c2)[n-]c1-c1ccccc1 ZINC000490422441 999955229 /nfs/dbraw/zinc/95/52/29/999955229.db2.gz KFRCUNMFATZLPX-UHFFFAOYSA-N -1 3 411.527 3.745 20 0 HHADHM Cc1nc(S(=O)(=O)[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)[n-]c1-c1ccccc1 ZINC000490452753 999959730 /nfs/dbraw/zinc/95/97/30/999959730.db2.gz RFKYOYWZABRHFY-HOCLYGCPSA-N -1 3 409.511 3.525 20 0 HHADHM Cc1cc(S(=O)(=O)[N-][C@H](C)[C@@H]2OCCc3sccc32)sc1Br ZINC000490501849 999968105 /nfs/dbraw/zinc/96/81/05/999968105.db2.gz VKGLURGIWCCGJM-RNCFNFMXSA-N -1 3 422.391 3.861 20 0 HHADHM C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)[C@H]1OCCc2sccc21 ZINC000490513777 999970369 /nfs/dbraw/zinc/97/03/69/999970369.db2.gz RMJPBTASBZKXEP-RFAUZJTJSA-N -1 3 420.325 3.631 20 0 HHADHM C[C@H]([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)[C@H]1OCCc2sccc21 ZINC000490534106 999973858 /nfs/dbraw/zinc/97/38/58/999973858.db2.gz JHJMLRKXSHLUFZ-YVEFUNNKSA-N -1 3 406.554 3.852 20 0 HHADHM CCCN(CCO)C(=O)c1ccc(C)c([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000490633302 999986878 /nfs/dbraw/zinc/98/68/78/999986878.db2.gz YTFJLVMYBQYXGU-UHFFFAOYSA-N -1 3 418.559 3.566 20 0 HHADHM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3ccc4nc(-c5ccccc5)[nH]c4c3)cc12 ZINC000491595037 1000087601 /nfs/dbraw/zinc/08/76/01/1000087601.db2.gz WFTZFRQTMPBLSF-UHFFFAOYSA-N -1 3 418.482 3.621 20 0 HHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCc1ccncc1OCCC(C)(C)C ZINC000492581591 1000133765 /nfs/dbraw/zinc/13/37/65/1000133765.db2.gz IWZRYVXCBDHKIS-UHFFFAOYSA-N -1 3 423.517 3.691 20 0 HHADHM COC(=O)c1cccc(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)c1 ZINC000492778685 1000143526 /nfs/dbraw/zinc/14/35/26/1000143526.db2.gz VVOXNHWVICOZFG-UHFFFAOYSA-N -1 3 424.478 3.835 20 0 HHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](c2ccccc2OC(F)F)C(F)(F)F)c1 ZINC000493371400 1000170727 /nfs/dbraw/zinc/17/07/27/1000170727.db2.gz VPHPMRMOSDDXLF-OAHLLOKOSA-N -1 3 418.318 3.985 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC(C)(C)COCc2ccccc2)c1 ZINC000504519737 1000248151 /nfs/dbraw/zinc/24/81/51/1000248151.db2.gz QMZBRBUYHJXGBC-UHFFFAOYSA-N -1 3 423.469 3.666 20 0 HHADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H](C)Oc3cccc(Br)c3)nc21 ZINC000494110512 1000312857 /nfs/dbraw/zinc/31/28/57/1000312857.db2.gz LZJXDGKZHFPWAI-JTQLQIEISA-N -1 3 418.247 3.518 20 0 HHADHM CC(C)N1CC[C@@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)[C@@H]1c1ccc(F)c(F)c1 ZINC000494111130 1000313147 /nfs/dbraw/zinc/31/31/47/1000313147.db2.gz FBNPUXYRAGENCX-KNQAVFIVSA-N -1 3 411.452 3.760 20 0 HHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000504658651 1000313313 /nfs/dbraw/zinc/31/33/13/1000313313.db2.gz YKHGQQSWIIQZFF-LJQANCHMSA-N -1 3 420.856 3.724 20 0 HHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc4c(cccc4OC(F)F)[nH]3)nc21 ZINC000494126759 1000319867 /nfs/dbraw/zinc/31/98/67/1000319867.db2.gz COCJYKBWNYKNIE-UHFFFAOYSA-N -1 3 400.341 3.685 20 0 HHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(OC4CCCC4)c(OC)c3)nc21 ZINC000494139176 1000326636 /nfs/dbraw/zinc/32/66/36/1000326636.db2.gz ZRSJSCVNIRQJRS-UHFFFAOYSA-N -1 3 409.442 3.932 20 0 HHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3cccc(CN4CCCCC4=O)c3)c[n-]c12 ZINC000494315968 1000428187 /nfs/dbraw/zinc/42/81/87/1000428187.db2.gz SVDPWMDQZQNZJZ-UHFFFAOYSA-N -1 3 407.445 3.740 20 0 HHADHM CC(C)[C@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccc(Cl)cc1 ZINC000505131146 1000566751 /nfs/dbraw/zinc/56/67/51/1000566751.db2.gz XNGXNGQDZUFVHF-INIZCTEOSA-N -1 3 421.371 3.847 20 0 HHADHM Cc1cc(Sc2ccccc2)ccc1[N-]S(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000494598277 1000568894 /nfs/dbraw/zinc/56/88/94/1000568894.db2.gz DLTUOIQASAJLGK-UHFFFAOYSA-N -1 3 423.523 3.923 20 0 HHADHM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)ccc1F ZINC000494620596 1000577208 /nfs/dbraw/zinc/57/72/08/1000577208.db2.gz YBQZTFVRVKFTPA-UHFFFAOYSA-N -1 3 406.357 3.526 20 0 HHADHM CN(CCc1cccc2ccccc21)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000505162270 1000587962 /nfs/dbraw/zinc/58/79/62/1000587962.db2.gz 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Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@]1(c2ccc(Cl)cc2)C[C@H]1C ZINC000505754639 1001007688 /nfs/dbraw/zinc/00/76/88/1001007688.db2.gz LNVGKDSGCLSQJK-QKFKETGDSA-N -1 3 422.916 3.778 20 0 HHADHM COC(=O)c1sc2[n-]c(CN3CCC[C@@H]3/C=C\c3ccccc3)nc(=O)c2c1C ZINC000505811739 1001038645 /nfs/dbraw/zinc/03/86/45/1001038645.db2.gz IRGVGSUYKGKQDA-BLIJAFNYSA-N -1 3 409.511 3.757 20 0 HHADHM COC(=O)c1sc2[n-]c(CN3CCC[C@@H]3/C=C/c3ccccc3)nc(=O)c2c1C ZINC000505811741 1001038905 /nfs/dbraw/zinc/03/89/05/1001038905.db2.gz IRGVGSUYKGKQDA-SIFUEBAJSA-N -1 3 409.511 3.757 20 0 HHADHM C[C@H](c1ccncc1)N1CCC(NC(=O)c2ccc(Br)c([O-])c2)CC1 ZINC000496027712 1001114499 /nfs/dbraw/zinc/11/44/99/1001114499.db2.gz IMGRSCAGQNFCIW-CYBMUJFWSA-N -1 3 404.308 3.505 20 0 HHADHM CCc1nc(C)c(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)s1 ZINC000506110214 1001226405 /nfs/dbraw/zinc/22/64/05/1001226405.db2.gz ZGNFREBOGHQXOH-UHFFFAOYSA-N -1 3 408.480 3.534 20 0 HHADHM COc1cc(C(=O)N[C@@H](C)Cc2cc(Br)ccc2F)cc(OC)c1[O-] ZINC000497313226 1001289210 /nfs/dbraw/zinc/28/92/10/1001289210.db2.gz MUWUSPFXFYTCCE-JTQLQIEISA-N -1 3 412.255 3.672 20 0 HHADHM O=S(=O)([N-]Cc1cccnc1OCC(F)(F)F)c1cccc(Cl)c1Cl ZINC000506265500 1001316831 /nfs/dbraw/zinc/31/68/31/1001316831.db2.gz WXLCRMGQPCTYNX-UHFFFAOYSA-N -1 3 415.220 3.808 20 0 HHADHM COC(=O)c1csc(-c2cccc(CNC(=O)c3cc([O-])ccc3Cl)c2)n1 ZINC000506418498 1001403838 /nfs/dbraw/zinc/40/38/38/1001403838.db2.gz YVYMSWPZHGMHFZ-UHFFFAOYSA-N -1 3 402.859 3.886 20 0 HHADHM COCCNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2csc3ccccc23)c1 ZINC000506609851 1001470452 /nfs/dbraw/zinc/47/04/52/1001470452.db2.gz FNYAGVKQPAVQAA-UHFFFAOYSA-N -1 3 424.931 3.732 20 0 HHADHM COCCc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(OCC(F)(F)F)c2)cc1 ZINC000506797686 1001535273 /nfs/dbraw/zinc/53/52/73/1001535273.db2.gz PRVDMCBBXOMTTQ-UHFFFAOYSA-N -1 3 419.421 3.626 20 0 HHADHM CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(C)ccc2Br)c1 ZINC000498014250 1001604885 /nfs/dbraw/zinc/60/48/85/1001604885.db2.gz XVLLTFBJUYOICM-UHFFFAOYSA-N -1 3 417.712 3.571 20 0 HHADHM Cc1nc(C)c(CCC(=O)NCCc2cccc(OCc3ccccc3)c2)c(=O)[n-]1 ZINC000498211975 1001696560 /nfs/dbraw/zinc/69/65/60/1001696560.db2.gz LEUNKTMIXKAUML-UHFFFAOYSA-N -1 3 405.498 3.670 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCC[C@@H](C)F)c2)cc1 ZINC000506982428 1001745158 /nfs/dbraw/zinc/74/51/58/1001745158.db2.gz FEPMREXCVOJGQP-OAHLLOKOSA-N -1 3 408.495 3.672 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)NCC[C@@H](C)c3ccccc3)c2)n1 ZINC000507010052 1001762671 /nfs/dbraw/zinc/76/26/71/1001762671.db2.gz ZGUVOYRJVFQKCJ-MRXNPFEDSA-N -1 3 418.497 3.660 20 0 HHADHM O=S(=O)([N-][C@@H]1CCCOc2ccc(F)cc21)c1ccc(Br)s1 ZINC000507308528 1001988583 /nfs/dbraw/zinc/98/85/83/1001988583.db2.gz DDNKAMMVDVFNAE-LLVKDONJSA-N -1 3 406.298 3.842 20 0 HHADHM COC(=O)c1ccc(S(=O)(=O)[N-]C(C)(c2ccccc2)c2ccccc2)s1 ZINC000507463494 1002085160 /nfs/dbraw/zinc/08/51/60/1002085160.db2.gz IXLRWIMUGGZIQZ-UHFFFAOYSA-N -1 3 401.509 3.777 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C2(c3ccc(OC)cc3)CCC2)cc1OC 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BRCRVFMABIREEU-UHFFFAOYSA-N -1 3 419.400 3.534 20 0 HHADHM Cc1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)c(C)c1 ZINC000521481496 1010400974 /nfs/dbraw/zinc/40/09/74/1010400974.db2.gz FFDAYMGGQSYURM-UHFFFAOYSA-N -1 3 416.421 3.711 20 0 HHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N(C)CC3CCCCC3)cs2)c1 ZINC000544823164 1010415041 /nfs/dbraw/zinc/41/50/41/1010415041.db2.gz SOXHUYCRASIJGH-UHFFFAOYSA-N -1 3 401.532 3.991 20 0 HHADHM CN(C)[C@H](C[N-]S(=O)(=O)c1cccc(Br)c1Cl)c1ccsc1 ZINC000551172294 1010416400 /nfs/dbraw/zinc/41/64/00/1010416400.db2.gz DKDHGXLPWMNZAK-GFCCVEGCSA-N -1 3 423.785 3.745 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3[nH]c([C@H]4CCCO4)nc3c2)c(C)c1 ZINC000521540763 1010449685 /nfs/dbraw/zinc/44/96/85/1010449685.db2.gz FHHXWFRXIPOZKP-GOSISDBHSA-N -1 3 401.488 3.841 20 0 HHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)Nc3cccc(F)c3F)cs2)c1 ZINC000544898184 1010473576 /nfs/dbraw/zinc/47/35/76/1010473576.db2.gz PIGUAGVMQMYDAX-UHFFFAOYSA-N -1 3 403.410 3.869 20 0 HHADHM O=S(=O)([N-]Cc1nc(-c2ccc(OC(F)F)cc2)no1)c1ccc(Cl)s1 ZINC000544901983 1010476409 /nfs/dbraw/zinc/47/64/09/1010476409.db2.gz GXAUWXSTKPEMFD-UHFFFAOYSA-N -1 3 421.834 3.531 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1Cc1nc(-c2cccc(Br)c2)no1 ZINC000544979097 1010532857 /nfs/dbraw/zinc/53/28/57/1010532857.db2.gz SEJLUXKDTDHEHE-UHFFFAOYSA-N -1 3 424.258 3.544 20 0 HHADHM O=S(=O)([N-]Cc1nc([C@H]2CCCc3ccccc32)no1)c1ccc(Cl)s1 ZINC000544986725 1010537213 /nfs/dbraw/zinc/53/72/13/1010537213.db2.gz BMOQEVHYFMJKBA-ZDUSSCGKSA-N -1 3 409.920 3.731 20 0 HHADHM Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC(=O)CNC(=O)c1ccc([O-])cc1 ZINC000521682115 1010547170 /nfs/dbraw/zinc/54/71/70/1010547170.db2.gz FZVWFDPGYPBVPO-AWEZNQCLSA-N -1 3 409.511 3.740 20 0 HHADHM O=S(=O)([N-]c1cc(-n2cnnn2)ccc1Cl)c1ccc(Cl)c(F)c1Cl ZINC000551386392 1010553839 /nfs/dbraw/zinc/55/38/39/1010553839.db2.gz LOAJFRWXNAYARW-UHFFFAOYSA-N -1 3 422.656 3.562 20 0 HHADHM CCOC(=O)c1cc([N-]S(=O)(=O)c2ccc(OC)c3ncccc23)c(F)cc1C ZINC000551414740 1010571788 /nfs/dbraw/zinc/57/17/88/1010571788.db2.gz GNEJUENFNYOURT-UHFFFAOYSA-N -1 3 418.446 3.668 20 0 HHADHM O=S(=O)(Cc1noc(-c2ccc(Cl)cc2)n1)c1nc(CCC2CCCC2)n[n-]1 ZINC000521737367 1010583140 /nfs/dbraw/zinc/58/31/40/1010583140.db2.gz CBDIZMBXOKMMSM-UHFFFAOYSA-N -1 3 421.910 3.605 20 0 HHADHM O=S(=O)(Cc1noc(-c2ccc(Cl)cc2)n1)c1nnc(CCC2CCCC2)[n-]1 ZINC000521737367 1010583145 /nfs/dbraw/zinc/58/31/45/1010583145.db2.gz CBDIZMBXOKMMSM-UHFFFAOYSA-N -1 3 421.910 3.605 20 0 HHADHM CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)Nc2nc(-c3ccco3)cs2)cc1 ZINC000521768964 1010603667 /nfs/dbraw/zinc/60/36/67/1010603667.db2.gz LAYYXESOWSFYJY-UHFFFAOYSA-N -1 3 421.500 3.571 20 0 HHADHM Cn1nc(C(F)F)c2cc(C(=O)[N-]c3nnc(Cc4ccc(F)cc4)s3)sc21 ZINC000548425091 1010621948 /nfs/dbraw/zinc/62/19/48/1010621948.db2.gz NFLITMVHMYXASJ-UHFFFAOYSA-N -1 3 423.445 4.406 20 0 HHADHM Cc1c(C(=O)[N-]c2nnc(-c3ccccn3)s2)nnn1-c1ccc(OC(C)C)cc1 ZINC000521793907 1010623730 /nfs/dbraw/zinc/62/37/30/1010623730.db2.gz QBDHTDVDGIZXHV-UHFFFAOYSA-N -1 3 421.486 3.529 20 0 HHADHM C[C@@H](CCc1cccn1C)[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000551512037 1010629706 /nfs/dbraw/zinc/62/97/06/1010629706.db2.gz DLIJWCMOIYZOGR-NSHDSACASA-N -1 3 405.745 3.741 20 0 HHADHM CCOc1cc(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)cc(Cl)c1[O-] ZINC000545138861 1010641749 /nfs/dbraw/zinc/64/17/49/1010641749.db2.gz BUEHTJPNYUZVLV-AWEZNQCLSA-N -1 3 403.910 3.795 20 0 HHADHM O=C(Nc1ccc(Br)cc1[O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1c1ncccn1 ZINC000545186672 1010676343 /nfs/dbraw/zinc/67/63/43/1010676343.db2.gz BTBVRLVTUVORSR-KCXAZCMYSA-N -1 3 417.307 3.721 20 0 HHADHM Cc1ccc2nc(CNCc3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3)cn2c1 ZINC000551593104 1010683099 /nfs/dbraw/zinc/68/30/99/1010683099.db2.gz SGESVLYCHARXKO-UHFFFAOYSA-N -1 3 424.501 3.872 20 0 HHADHM CSCc1cccc(NC(=O)CS(=O)(=O)[N-]c2ccc(OC(C)C)cc2)c1 ZINC000521884437 1010684992 /nfs/dbraw/zinc/68/49/92/1010684992.db2.gz SFIILRBFLLFCIA-UHFFFAOYSA-N -1 3 408.545 3.717 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccoc3)c2)c(C)c1 ZINC000522147939 1010833599 /nfs/dbraw/zinc/83/35/99/1010833599.db2.gz ZDCITFIKWBWPBZ-UHFFFAOYSA-N -1 3 400.456 3.958 20 0 HHADHM CSc1cc(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)ccc1NC(C)=O ZINC000522260005 1010892799 /nfs/dbraw/zinc/89/27/99/1010892799.db2.gz KJRCSIYNQFVUNB-UHFFFAOYSA-N -1 3 408.483 3.678 20 0 HHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H](Oc1cccc(Cl)c1Cl)c1ccccc1 ZINC000522262383 1010893885 /nfs/dbraw/zinc/89/38/85/1010893885.db2.gz XMMNMHLOXVQSMK-KBXCAEBGSA-N -1 3 420.296 3.742 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)c3cccc(F)c3)c2)cc1 ZINC000522332779 1010935754 /nfs/dbraw/zinc/93/57/54/1010935754.db2.gz LRIAEUPZFFQYNF-UHFFFAOYSA-N -1 3 414.458 3.565 20 0 HHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(C[S@](=O)C3CCOCC3)c2)c(C)c1 ZINC000522360541 1010956932 /nfs/dbraw/zinc/95/69/32/1010956932.db2.gz DGSZBTZIUPACDO-MHZLTWQESA-N -1 3 421.584 3.840 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(C[S@](=O)c3ccccc3)c2)cc1 ZINC000522360586 1010957014 /nfs/dbraw/zinc/95/70/14/1010957014.db2.gz GVKCXEXTMMTPQR-SANMLTNESA-N -1 3 401.509 3.804 20 0 HHADHM CSc1cccc(N(C)C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)c1 ZINC000522363238 1010958448 /nfs/dbraw/zinc/95/84/48/1010958448.db2.gz ABXXAFASUPYLBA-UHFFFAOYSA-N -1 3 419.503 3.953 20 0 HHADHM CCC[C@H](CC)NC(=O)NCc1cccc([N-]S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000522434871 1011010034 /nfs/dbraw/zinc/01/00/34/1011010034.db2.gz VCTRVNDKEIEXCL-KRWDZBQOSA-N -1 3 419.547 3.874 20 0 HHADHM O=C1COc2ccc(S(=O)(=O)[N-]c3ccc(OCC4CCCCC4)cc3)cc2N1 ZINC000522695678 1011163070 /nfs/dbraw/zinc/16/30/70/1011163070.db2.gz ZKMAQOJOQFMVDM-UHFFFAOYSA-N -1 3 416.499 3.777 20 0 HHADHM O=S(=O)([N-]Cc1ccccc1OC1CCC1)c1cc(Br)ccc1F ZINC000522801463 1011233592 /nfs/dbraw/zinc/23/35/92/1011233592.db2.gz ZBQBMYLLSIGQNV-UHFFFAOYSA-N -1 3 414.296 3.998 20 0 HHADHM CCOC(=O)c1ccc(NC(=O)c2ccc(-c3noc(C(F)F)n3)cc2)c([O-])c1 ZINC000540588338 1011243713 /nfs/dbraw/zinc/24/37/13/1011243713.db2.gz HMIYTHMNIPEZRB-UHFFFAOYSA-N -1 3 403.341 3.809 20 0 HHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000536128078 1011251405 /nfs/dbraw/zinc/25/14/05/1011251405.db2.gz YXUMXYDJYOJEEJ-VIFPVBQESA-N -1 3 400.303 3.681 20 0 HHADHM O=C(NCc1ccccc1)c1ccccc1NCc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000536141181 1011264832 /nfs/dbraw/zinc/26/48/32/1011264832.db2.gz PEMJUIDCLVTPMS-UHFFFAOYSA-N -1 3 402.376 3.743 20 0 HHADHM Cn1cc(-c2ccccc2CNC(=O)NCc2ccc([O-])c(Br)c2)cn1 ZINC000536191201 1011330179 /nfs/dbraw/zinc/33/01/79/1011330179.db2.gz GZEUNUTVYDLNME-UHFFFAOYSA-N -1 3 415.291 3.555 20 0 HHADHM O=C(c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)N1CCCC12CCCCC2 ZINC000536288609 1011469050 /nfs/dbraw/zinc/46/90/50/1011469050.db2.gz UNGWDYMYKPVIPP-UHFFFAOYSA-N -1 3 405.495 3.894 20 0 HHADHM CCOC(=O)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)c([O-])c1 ZINC000536337674 1011539844 /nfs/dbraw/zinc/53/98/44/1011539844.db2.gz DNQXYGLIKIGVMI-GOSISDBHSA-N -1 3 424.497 3.677 20 0 HHADHM CCN(C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1)C1CCC1 ZINC000523138206 1011609674 /nfs/dbraw/zinc/60/96/74/1011609674.db2.gz IVUJIDLBIBTRHV-UHFFFAOYSA-N -1 3 402.516 3.819 20 0 HHADHM C[C@@H]1CC[C@@]2(CCN(C(=O)CC[N-]S(=O)(=O)c3c(Cl)cccc3Cl)C2)C1 ZINC000541059504 1011699655 /nfs/dbraw/zinc/69/96/55/1011699655.db2.gz KMRXLDKBKUIWAZ-FZKQIMNGSA-N -1 3 419.374 3.701 20 0 HHADHM O=S(=O)(C[C@@H]1CCCO1)[N-]c1cc(Cl)c(OCC(F)(F)F)c(Cl)c1 ZINC000536496444 1011703953 /nfs/dbraw/zinc/70/39/53/1011703953.db2.gz HEJKWTUTNZAHLE-VIFPVBQESA-N -1 3 408.225 3.855 20 0 HHADHM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)Nc2ccc(F)cc2Cl)cc1F ZINC000536499102 1011704604 /nfs/dbraw/zinc/70/46/04/1011704604.db2.gz WNBKFRJUEADBRD-UHFFFAOYSA-N -1 3 424.878 3.571 20 0 HHADHM COC(=O)CCc1nnc([N-]C(=O)c2cc3cc(C)cc(Br)c3o2)s1 ZINC000541074063 1011714160 /nfs/dbraw/zinc/71/41/60/1011714160.db2.gz IFSXBBQJPHYGSE-UHFFFAOYSA-N -1 3 424.276 3.713 20 0 HHADHM CC(C)CN1Cc2cccc([N-]S(=O)(=O)c3ccc4c(c3)C(C)(C)C(=O)N4)c2C1 ZINC000536657553 1011804676 /nfs/dbraw/zinc/80/46/76/1011804676.db2.gz TWPPDOOKXYHIJC-UHFFFAOYSA-N -1 3 413.543 3.689 20 0 HHADHM CCc1cccc(C(=O)N2CCCN(C(=O)Nc3ccc(Cl)cc3)CC2)c1[O-] ZINC000536685640 1011850349 /nfs/dbraw/zinc/85/03/49/1011850349.db2.gz CPVZERDTXKYTMP-UHFFFAOYSA-N -1 3 401.894 3.988 20 0 HHADHM Cc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccc4c(c3)CCCO4)n2)cc1F ZINC000536687586 1011853417 /nfs/dbraw/zinc/85/34/17/1011853417.db2.gz NTTLKLYQQKLWPC-ZDUSSCGKSA-N -1 3 417.462 3.549 20 0 HHADHM CC[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)c1nccs1 ZINC000523406588 1011887060 /nfs/dbraw/zinc/88/70/60/1011887060.db2.gz DRDAGODDYJENRX-MRXNPFEDSA-N -1 3 419.503 3.964 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@H](C)Cc2ccc(C)s2)cc1OC ZINC000523422176 1011907600 /nfs/dbraw/zinc/90/76/00/1011907600.db2.gz FUQNEWOORQLZAN-GFCCVEGCSA-N -1 3 411.549 3.579 20 0 HHADHM Cc1ccc(CN2CCOCC2)cc1[N-]S(=O)(=O)c1ccc(OC(C)C)c(C)c1 ZINC000523458612 1011961587 /nfs/dbraw/zinc/96/15/87/1011961587.db2.gz OIWGVNTWLZYOCS-UHFFFAOYSA-N -1 3 418.559 3.724 20 0 HHADHM 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20 0 HHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1ccc(OCC(F)(F)F)cc1 ZINC000042953915 966875583 /nfs/dbraw/zinc/87/55/83/966875583.db2.gz FTKDATKRNMHPFL-UHFFFAOYSA-N -1 3 406.364 3.745 20 0 HHADHM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C(C)C)cc1)c1ccc(OC(F)F)cc1 ZINC000538121614 1013683123 /nfs/dbraw/zinc/68/31/23/1013683123.db2.gz XCHIGEXEUZRDSA-KRWDZBQOSA-N -1 3 413.442 3.604 20 0 HHADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000542797178 1013684661 /nfs/dbraw/zinc/68/46/61/1013684661.db2.gz RFGRHZCPRJUERK-MWLCHTKSSA-N -1 3 418.284 3.792 20 0 HHADHM CCCc1nc(C)c(C(=O)N[N-]C(=O)c2sc(-c3ccccc3)nc2C)s1 ZINC000043005239 966887169 /nfs/dbraw/zinc/88/71/69/966887169.db2.gz IHVRYICRHRLWKN-UHFFFAOYSA-N -1 3 400.529 3.911 20 0 HHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N(C)Cc3csc(CC)n3)nc(=O)c2c1C ZINC000063592902 966897387 /nfs/dbraw/zinc/89/73/87/966897387.db2.gz NJDXMEGNVQHRIM-LLVKDONJSA-N -1 3 420.560 3.682 20 0 HHADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]CCCc1cccs1 ZINC000542799554 1013685632 /nfs/dbraw/zinc/68/56/32/1013685632.db2.gz AYCYHZWALHQTLE-UHFFFAOYSA-N -1 3 408.314 3.569 20 0 HHADHM C[C@H](NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1)c1ccccn1 ZINC000043181367 966926330 /nfs/dbraw/zinc/92/63/30/966926330.db2.gz KDWRJZNDGXLASP-ZDUSSCGKSA-N -1 3 402.882 3.562 20 0 HHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(COC(C)C)c2)ccc1F ZINC000063712762 966935116 /nfs/dbraw/zinc/93/51/16/966935116.db2.gz GBLWAQUKXLRXNP-UHFFFAOYSA-N -1 3 408.495 3.690 20 0 HHADHM O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000043717915 967019189 /nfs/dbraw/zinc/01/91/89/967019189.db2.gz KYNFTXHCYDATLA-FQEVSTJZSA-N -1 3 413.905 3.664 20 0 HHADHM Cc1cc(SCC(=O)Nc2nnc(C(F)(F)F)[n-]2)c(C)cc1Br ZINC000043751422 967025636 /nfs/dbraw/zinc/02/56/36/967025636.db2.gz NDEGLDCQKHNTLY-UHFFFAOYSA-N -1 3 409.231 3.934 20 0 HHADHM Cc1cc(SCC(=O)Nc2nc(C(F)(F)F)n[n-]2)c(C)cc1Br ZINC000043751422 967025644 /nfs/dbraw/zinc/02/56/44/967025644.db2.gz NDEGLDCQKHNTLY-UHFFFAOYSA-N -1 3 409.231 3.934 20 0 HHADHM CC(C)Oc1ccc(CNC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)cc1 ZINC000043759720 967027211 /nfs/dbraw/zinc/02/72/11/967027211.db2.gz KYJTWFSQUHDURB-UHFFFAOYSA-N -1 3 422.522 3.620 20 0 HHADHM O=C([N-]NC(=O)c1ccc(OC2CCCC2)cc1)c1ccccc1Br ZINC000043802496 967037631 /nfs/dbraw/zinc/03/76/31/967037631.db2.gz OUFBJYDPVHCRLZ-UHFFFAOYSA-N -1 3 403.276 3.845 20 0 HHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cc(F)cc(Br)c3)cc2)n1 ZINC000064342041 967147477 /nfs/dbraw/zinc/14/74/77/967147477.db2.gz ARMFUCLTYGCJMS-UHFFFAOYSA-N -1 3 402.223 3.899 20 0 HHADHM CCOc1cccc2c1OCC(C(=O)Nc1ccc(-c3nc(C)cc(=O)[n-]3)cc1)=C2 ZINC000064342049 967147538 /nfs/dbraw/zinc/14/75/38/967147538.db2.gz RUFCWJKGHZNJER-UHFFFAOYSA-N -1 3 403.438 3.559 20 0 HHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc(F)cc3Br)cc2)n1 ZINC000064342568 967148387 /nfs/dbraw/zinc/14/83/87/967148387.db2.gz WLAQUZDTAGVLKX-UHFFFAOYSA-N -1 3 402.223 3.899 20 0 HHADHM C/C=C/c1ccc(OCC(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)c(OC)c1 ZINC000064359228 967154440 /nfs/dbraw/zinc/15/44/40/967154440.db2.gz OZOXSNXFPXURCB-SNAWJCMRSA-N -1 3 405.454 3.805 20 0 HHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=S)NCc2cccs2)CC1 ZINC000044232671 967170232 /nfs/dbraw/zinc/17/02/32/967170232.db2.gz WCRHZVHQUNDCGW-UHFFFAOYSA-N -1 3 409.964 3.832 20 0 HHADHM CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2cc(Br)ccc2C)c1 ZINC000044260187 967177733 /nfs/dbraw/zinc/17/77/33/967177733.db2.gz YIUQAFANWCWKGY-UHFFFAOYSA-N -1 3 401.257 3.656 20 0 HHADHM O=C([N-]NC(=O)C1(c2ccc(F)cc2)CCC1)c1ccc(F)cc1Br ZINC000064835620 967306444 /nfs/dbraw/zinc/30/64/44/967306444.db2.gz FHBGJBLEFLVGAM-UHFFFAOYSA-N -1 3 409.230 3.610 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CCCOC)ccc2C)cc1 ZINC000044903617 967310940 /nfs/dbraw/zinc/31/09/40/967310940.db2.gz PRLOUXISZSFOSI-UHFFFAOYSA-N -1 3 406.504 3.560 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H](C)OCC3CC3)ccc2C)cc1 ZINC000064851400 967311471 /nfs/dbraw/zinc/31/14/71/967311471.db2.gz ATWPBIIQKMZBSU-OAHLLOKOSA-N -1 3 418.515 3.558 20 0 HHADHM COCCOc1ccc(S(=O)(=O)[N-]c2cccc(COCC3CC3)c2)cc1C ZINC000064938249 967332410 /nfs/dbraw/zinc/33/24/10/967332410.db2.gz GRNOCXRUGADKME-UHFFFAOYSA-N -1 3 405.516 3.748 20 0 HHADHM O=S(=O)([N-][C@H]1CCCOc2ccc(F)cc21)c1ccc(Br)s1 ZINC000064959539 967339179 /nfs/dbraw/zinc/33/91/79/967339179.db2.gz DDNKAMMVDVFNAE-NSHDSACASA-N -1 3 406.298 3.842 20 0 HHADHM O=C(c1ccc(OCC2CCCCC2)cc1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000065056138 967359542 /nfs/dbraw/zinc/35/95/42/967359542.db2.gz LDNYUSWZIJOMGR-UHFFFAOYSA-N -1 3 422.525 3.950 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)CCC(C)C)ccc2C)cc1 ZINC000045473067 967471269 /nfs/dbraw/zinc/47/12/69/967471269.db2.gz SQXMJZSYTUQKJA-UHFFFAOYSA-N -1 3 404.532 3.923 20 0 HHADHM Cc1cc(C)[n-]c(=NNC(=O)N[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)n1 ZINC000045730790 967544138 /nfs/dbraw/zinc/54/41/38/967544138.db2.gz DQJAMGUSDTZTQK-MRXNPFEDSA-N -1 3 404.474 3.733 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](C)Oc3ccc4c(c3)CCC4)c2)n1 ZINC000046067163 967651280 /nfs/dbraw/zinc/65/12/80/967651280.db2.gz MINYCZUJPICTGM-HNNXBMFYSA-N -1 3 403.482 3.894 20 0 HHADHM Cc1ccc(CN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)C2CC2)o1 ZINC000046284659 967726040 /nfs/dbraw/zinc/72/60/40/967726040.db2.gz PFDMLPGXMVQIHJ-UHFFFAOYSA-N -1 3 408.495 3.609 20 0 HHADHM Cc1ccc(C(=O)[C@H](OC(=O)Cc2c(C)nc(C)[n-]c2=O)c2ccc(C)cc2)cc1 ZINC000046413156 967791131 /nfs/dbraw/zinc/79/11/31/967791131.db2.gz MPRBKEVVQCOZLN-HSZRJFAPSA-N -1 3 404.466 3.713 20 0 HHADHM CCOc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)cc1Cl ZINC000046668430 967911443 /nfs/dbraw/zinc/91/14/43/967911443.db2.gz JEZCSSUUKHCUFV-UHFFFAOYSA-N -1 3 412.870 3.571 20 0 HHADHM CCOc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)cc1Cl ZINC000046668510 967911648 /nfs/dbraw/zinc/91/16/48/967911648.db2.gz XMTVVCLKRDKPSS-UHFFFAOYSA-N -1 3 414.886 3.817 20 0 HHADHM CC[C@](C)(CO)NC(=O)c1ccc(C)c([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000542921830 1013758178 /nfs/dbraw/zinc/75/81/78/1013758178.db2.gz CNANUNHGSVFWNX-JOCHJYFZSA-N -1 3 418.559 3.612 20 0 HHADHM O=C(N[N-]C(=O)c1cccc([N+](=O)[O-])c1)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000047129731 968062966 /nfs/dbraw/zinc/06/29/66/968062966.db2.gz XPDZIPUUUHWEGZ-GOSISDBHSA-N -1 3 400.410 3.609 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CC=C(c3ccccc3F)C2)cc1OC ZINC000542944395 1013777530 /nfs/dbraw/zinc/77/75/30/1013777530.db2.gz OSPKJILMMZNBRE-UHFFFAOYSA-N -1 3 419.478 3.527 20 0 HHADHM O=C(NCCNC(=O)[C@H](Sc1ccccc1)c1ccccc1)c1ccc([O-])cc1 ZINC000047552889 968234756 /nfs/dbraw/zinc/23/47/56/968234756.db2.gz QDJMFPHANXRCCY-OAQYLSRUSA-N -1 3 406.507 3.772 20 0 HHADHM CSCCCNC(=S)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000047582604 968246504 /nfs/dbraw/zinc/24/65/04/968246504.db2.gz LFYRKAQGQIBUBI-UHFFFAOYSA-N -1 3 409.602 3.835 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCCOC)c(C)c2)cc1OCC ZINC000047585347 968247883 /nfs/dbraw/zinc/24/78/83/968247883.db2.gz AZDRMZUGXDIQSX-UHFFFAOYSA-N -1 3 409.504 3.618 20 0 HHADHM Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])ccc1Br ZINC000048030580 968394406 /nfs/dbraw/zinc/39/44/06/968394406.db2.gz JBHSORIAWBMEMM-INIZCTEOSA-N -1 3 403.276 3.706 20 0 HHADHM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(N4CCCC4)c(F)c3)cc2C[C@H]1C ZINC000048230889 968495489 /nfs/dbraw/zinc/49/54/89/968495489.db2.gz DRDDPABXPADEBF-CQSZACIVSA-N -1 3 417.506 3.524 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cnn(C(C)(C)C)c3)cc2)cc1 ZINC000048360176 968529589 /nfs/dbraw/zinc/52/95/89/968529589.db2.gz OZVSNXHJLUWBQE-UHFFFAOYSA-N -1 3 412.515 4.000 20 0 HHADHM O=S(=O)([N-]c1ccc(Cl)cc1F)c1ccc(I)cc1 ZINC000048430117 968552217 /nfs/dbraw/zinc/55/22/17/968552217.db2.gz INEHMIAWJPAYPN-UHFFFAOYSA-N -1 3 411.623 3.885 20 0 HHADHM Cc1[nH]c2ccc(CNC(=O)N[N-]C(=O)c3ccccc3Br)cc2c1C ZINC000065696019 968594872 /nfs/dbraw/zinc/59/48/72/968594872.db2.gz RYROEZAKVBQTKZ-UHFFFAOYSA-N -1 3 415.291 3.691 20 0 HHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)NC1(c2cccc(Br)c2)CCC1 ZINC000065819299 968661602 /nfs/dbraw/zinc/66/16/02/968661602.db2.gz FOTZVGMUYLLYSN-UHFFFAOYSA-N -1 3 414.259 3.534 20 0 HHADHM CCCCCOc1ccc(S(=O)(=O)[N-]c2ccc(-n3cncn3)c(F)c2)cc1 ZINC000065832624 968669578 /nfs/dbraw/zinc/66/95/78/968669578.db2.gz YCZKXLZGAHEEBB-UHFFFAOYSA-N -1 3 404.467 3.776 20 0 HHADHM CCOc1ccccc1OCC(=O)N[N-]C(=O)c1sccc1-c1ccc(F)cc1 ZINC000065834849 968670914 /nfs/dbraw/zinc/67/09/14/968670914.db2.gz CBZJWNJRGFLELX-UHFFFAOYSA-N -1 3 414.458 3.793 20 0 HHADHM CSc1ccc(CNC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)cc1 ZINC000065883861 968699861 /nfs/dbraw/zinc/69/98/61/968699861.db2.gz NSGYSQIDIRFGAC-UHFFFAOYSA-N -1 3 410.536 3.554 20 0 HHADHM CN(CCCc1cc(-c2ccccc2)n(C)n1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000065926593 968718018 /nfs/dbraw/zinc/71/80/18/968718018.db2.gz PFBDDMGPYVIWER-UHFFFAOYSA-N -1 3 400.482 3.633 20 0 HHADHM O=S(=O)([N-][C@H](c1ccccc1)c1ccccn1)c1ccc(Br)s1 ZINC000069093694 968813455 /nfs/dbraw/zinc/81/34/55/968813455.db2.gz OFMFIZDVCATCHU-MRXNPFEDSA-N -1 3 409.330 3.974 20 0 HHADHM O=c1[n-]nc(SCc2csc(Cc3ccc(Cl)cc3)n2)n1C[C@@H]1CCCO1 ZINC000071891642 968882709 /nfs/dbraw/zinc/88/27/09/968882709.db2.gz FBTBTSMCYIAINK-HNNXBMFYSA-N -1 3 422.963 3.743 20 0 HHADHM O=C(c1cc2c(cc1[O-])OCO2)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000071944755 968902080 /nfs/dbraw/zinc/90/20/80/968902080.db2.gz OGKZPCIOWDPVMO-UHFFFAOYSA-N -1 3 416.477 3.668 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)Cc2ccc(CC(C)C)cc2)cc1OC ZINC000072005596 968927612 /nfs/dbraw/zinc/92/76/12/968927612.db2.gz VKCBOEVQHQBSKZ-UHFFFAOYSA-N -1 3 404.532 3.837 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@H]2C[C@H]2c2ccccc2Cl)cc1OC ZINC000072005618 968927671 /nfs/dbraw/zinc/92/76/71/968927671.db2.gz KMEDLUHJCWRELD-GJZGRUSLSA-N -1 3 408.907 3.852 20 0 HHADHM COc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)ccc1C ZINC000078515151 969002201 /nfs/dbraw/zinc/00/22/01/969002201.db2.gz OKCHWMCUJWDMGD-UHFFFAOYSA-N -1 3 402.394 3.646 20 0 HHADHM O=C(N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000078549409 969003067 /nfs/dbraw/zinc/00/30/67/969003067.db2.gz DLLREBSIYCQUCQ-FQEVSTJZSA-N -1 3 406.388 3.562 20 0 HHADHM Cc1c([O-])ccc2c(CSc3nnc([C@H]4COc5ccccc5O4)o3)cc(=O)oc12 ZINC000104926275 969213338 /nfs/dbraw/zinc/21/33/38/969213338.db2.gz LSHHKKCYEOAKQA-QGZVFWFLSA-N -1 3 424.434 3.995 20 0 HHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)Cc3ccncc3)c2)cc1 ZINC000105653085 969253960 /nfs/dbraw/zinc/25/39/60/969253960.db2.gz LJRAKSDXHJHMJZ-UHFFFAOYSA-N -1 3 409.511 3.771 20 0 HHADHM N#Cc1ccc(CSc2nnc([N-]C(=O)c3ccc(Cn4cccn4)o3)s2)cc1 ZINC000106115471 969291912 /nfs/dbraw/zinc/29/19/12/969291912.db2.gz YDLZKSKNTKZRCG-UHFFFAOYSA-N -1 3 422.495 3.792 20 0 HHADHM Cc1noc(C)c1CC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000108242350 969367000 /nfs/dbraw/zinc/36/70/00/969367000.db2.gz WJJAIXSICVCSFM-UHFFFAOYSA-N -1 3 413.499 3.890 20 0 HHADHM COC(=O)c1cc(C)nc2nc(SCc3coc(-c4ccc(C)cc4)n3)[n-]c(=O)c12 ZINC000109208719 969479445 /nfs/dbraw/zinc/47/94/45/969479445.db2.gz PVFIGQVHQSUICC-UHFFFAOYSA-N -1 3 422.466 3.669 20 0 HHADHM CC(C)c1noc(CCC[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)n1 ZINC000109390613 969510805 /nfs/dbraw/zinc/51/08/05/969510805.db2.gz LEMWFFOMNBUXQM-UHFFFAOYSA-N -1 3 411.833 3.776 20 0 HHADHM CCc1ccc([O-])c(C(=O)N(C)CC(=O)Nc2ccc(Br)cc2C)c1 ZINC000109812761 969570832 /nfs/dbraw/zinc/57/08/32/969570832.db2.gz OIDZDNPHGNTJME-UHFFFAOYSA-N -1 3 405.292 3.736 20 0 HHADHM O=C(c1ccccc1)N1CCC[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000110251426 969642729 /nfs/dbraw/zinc/64/27/29/969642729.db2.gz PJYJPRXYELQGLY-OAHLLOKOSA-N -1 3 413.326 3.577 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCN(Cc4ccc(C(C)C)cc4)CC3)nc2)n1 ZINC000111221636 969809019 /nfs/dbraw/zinc/80/90/19/969809019.db2.gz DJDBJNRTYMESBC-UHFFFAOYSA-N -1 3 417.557 3.840 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3cccc(NC(=O)CC(C)C)c3)nc2)n1 ZINC000111228035 969811624 /nfs/dbraw/zinc/81/16/24/969811624.db2.gz QGNQKLVMNKKVGR-UHFFFAOYSA-N -1 3 405.502 3.991 20 0 HHADHM C[C@H]1CCc2[nH]c3ccc(C(=O)N4CCN(C(=O)c5ccccc5[O-])CC4)cc3c2C1 ZINC000195672402 969946272 /nfs/dbraw/zinc/94/62/72/969946272.db2.gz FYONYHLVJMDSMZ-INIZCTEOSA-N -1 3 417.509 3.597 20 0 HHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cc(F)ccc3Br)cc2)n1 ZINC000195683811 969953809 /nfs/dbraw/zinc/95/38/09/969953809.db2.gz BYXOBFDGOGUMSI-UHFFFAOYSA-N -1 3 402.223 3.899 20 0 HHADHM CC[C@H]([N-]S(=O)(=O)c1cc(Br)cnc1Cl)c1ccccc1OC ZINC000117511912 969955670 /nfs/dbraw/zinc/95/56/70/969955670.db2.gz LQSGGTCFISJDIE-LBPRGKRZSA-N -1 3 419.728 3.936 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@@H]2CCc3cc(C)ccc32)cc1OC ZINC000139070822 970020797 /nfs/dbraw/zinc/02/07/97/970020797.db2.gz SNBSLIVHAMEZRJ-QGZVFWFLSA-N -1 3 403.504 3.574 20 0 HHADHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c(F)cc1F ZINC000139212432 970024663 /nfs/dbraw/zinc/02/46/63/970024663.db2.gz YTFIIPPWZUHZAD-UHFFFAOYSA-N -1 3 413.295 3.710 20 0 HHADHM CCOc1cc(/C=C/C(=O)c2cccc(OCC(=O)N(C)C)c2)cc(Cl)c1[O-] ZINC000139673992 970041271 /nfs/dbraw/zinc/04/12/71/970041271.db2.gz JKXYEKSWPUWVNL-CMDGGOBGSA-N -1 3 403.862 3.807 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2Cc3cccc(Cl)c3C2)cc1OC ZINC000554437534 1013949365 /nfs/dbraw/zinc/94/93/65/1013949365.db2.gz KJIKKHXTXYCQBM-UHFFFAOYSA-N -1 3 409.895 3.658 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]c2cccnc2Br)ccc1Br ZINC000226449873 970108740 /nfs/dbraw/zinc/10/87/40/970108740.db2.gz KNDHIHIFGUFYSH-UHFFFAOYSA-N -1 3 406.099 3.716 20 0 HHADHM CCCN(Cc1ccccc1)C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000143627596 970202740 /nfs/dbraw/zinc/20/27/40/970202740.db2.gz FHCLLOUVJYKNCM-UHFFFAOYSA-N -1 3 405.520 3.901 20 0 HHADHM Cc1ccc(SCc2cccc(C(=O)N(CCN(C)C)CC(=O)[O-])c2)c(C)c1 ZINC000237143224 970231328 /nfs/dbraw/zinc/23/13/28/970231328.db2.gz FUOCICGUAJGOKP-UHFFFAOYSA-N -1 3 400.544 3.684 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@@H](c2ccccc2)C(C)C)cc1OC ZINC000145003967 970249985 /nfs/dbraw/zinc/24/99/85/970249985.db2.gz FMXXMHRPDHHVLM-LJQANCHMSA-N -1 3 405.520 3.976 20 0 HHADHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1ccc(F)c(NC(C)=O)c1 ZINC000150089416 970426045 /nfs/dbraw/zinc/42/60/45/970426045.db2.gz ZJSNSXNYYBOCPX-ZDUSSCGKSA-N -1 3 417.824 3.716 20 0 HHADHM C[C@@H]1CCC[C@H](NC(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)[C@H]1C ZINC000253619812 970568390 /nfs/dbraw/zinc/56/83/90/970568390.db2.gz MUVIIWGSDQCVGP-KEYYUXOJSA-N -1 3 411.531 3.554 20 0 HHADHM CCCOc1ccc(-c2csc([N-]C(=O)c3ccc(S(C)(=O)=O)o3)n2)cc1 ZINC000261430223 970675041 /nfs/dbraw/zinc/67/50/41/970675041.db2.gz CLGPWTWCDRYREX-UHFFFAOYSA-N -1 3 406.485 3.848 20 0 HHADHM CC(C)Oc1ccc(-c2csc([N-]C(=O)c3ccc(S(C)(=O)=O)o3)n2)cc1 ZINC000261481740 970714054 /nfs/dbraw/zinc/71/40/54/970714054.db2.gz VUNIIOPTFGPJCP-UHFFFAOYSA-N -1 3 406.485 3.846 20 0 HHADHM O=S(=O)([N-][C@H]1CCC(F)(F)C1)c1ccc(Br)cc1Br ZINC000311727567 972626737 /nfs/dbraw/zinc/62/67/37/972626737.db2.gz QMOXKZGSSLZASB-QMMMGPOBSA-N -1 3 419.085 3.678 20 0 HHADHM O=S(=O)([N-]CCc1cccc(Br)c1)c1cnc(Cl)c(Cl)c1 ZINC000313703413 972635143 /nfs/dbraw/zinc/63/51/43/972635143.db2.gz IUMOPQBVRJTRBM-UHFFFAOYSA-N -1 3 410.120 3.672 20 0 HHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]c1c(C)cc(C)cc1Br ZINC000326263342 972741256 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401.850 3.916 20 0 HHADHM COCCc1nc(=NC[C@H]2CCCN(C)[C@H]2c2ccc(C(F)(F)F)cc2)s[n-]1 ZINC000426889180 974733673 /nfs/dbraw/zinc/73/36/73/974733673.db2.gz DFUJJMQCRULIOY-PBHICJAKSA-N -1 3 414.497 3.663 20 0 HHADHM O=C(Nc1cc(Br)ccc1[O-])c1cnn(-c2ccncc2)c1C(F)F ZINC000426994800 974806841 /nfs/dbraw/zinc/80/68/41/974806841.db2.gz KCORLPFEONXSSY-UHFFFAOYSA-N -1 3 409.190 3.925 20 0 HHADHM CC[C@H](Cc1ccccc1Br)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000427065069 974870745 /nfs/dbraw/zinc/87/07/45/974870745.db2.gz QLMZAPHABDMJDX-CQSZACIVSA-N -1 3 414.307 3.760 20 0 HHADHM CC[C@H](Cc1ccccc1Br)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000427065069 974870751 /nfs/dbraw/zinc/87/07/51/974870751.db2.gz QLMZAPHABDMJDX-CQSZACIVSA-N -1 3 414.307 3.760 20 0 HHADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1 ZINC000427148249 974940809 /nfs/dbraw/zinc/94/08/09/974940809.db2.gz UWBBQJFZULOQQJ-UHFFFAOYSA-N -1 3 411.270 3.808 20 0 HHADHM Cc1nc(COc2ccc(C=C(Cc3ccccc3)c3nccc(=O)[n-]3)cc2)no1 ZINC000427289801 975027350 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3.529 20 0 HHADHM C[C@H](CCCC(F)(F)F)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000427964993 975368779 /nfs/dbraw/zinc/36/87/79/975368779.db2.gz AGVGZDVPAVLFDB-LLVKDONJSA-N -1 3 421.416 3.806 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@H](C)c1cc(Cl)ccc1Cl ZINC000428353115 975666615 /nfs/dbraw/zinc/66/66/15/975666615.db2.gz SXHIREBLAMRTHQ-LLVKDONJSA-N -1 3 417.296 3.867 20 0 HHADHM O=S(=O)([N-]C[C@]1(CO)C[C@@H]1c1ccc(F)cc1)c1c(Cl)cccc1Cl ZINC000428368452 975688484 /nfs/dbraw/zinc/68/84/84/975688484.db2.gz DJGJNEUFLLSESU-DYVFJYSZSA-N -1 3 404.290 3.577 20 0 HHADHM O=S(=O)([N-]C[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O)c1ccc(Cl)s1 ZINC000428395382 975716160 /nfs/dbraw/zinc/71/61/60/975716160.db2.gz DWZAYDMGUMVAOX-RHSMWYFYSA-N -1 3 403.928 3.593 20 0 HHADHM Cc1ccnc([C@@H]([N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)C2CC2)n1 ZINC000428405648 975726080 /nfs/dbraw/zinc/72/60/80/975726080.db2.gz SDMDDIXFCZLFSR-AWEZNQCLSA-N -1 3 416.728 3.631 20 0 HHADHM CCOC(=O)[C@@H](NCc1cc([O-])cc(F)c1)c1ccc(OC)c(Br)c1 ZINC000428414947 975734559 /nfs/dbraw/zinc/73/45/59/975734559.db2.gz SJSHPEOURPOPAJ-KRWDZBQOSA-N -1 3 412.255 3.696 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)NC[C@@]3(CO)C[C@H]3c3ccc(F)cc3)cc2)cc(=O)[n-]1 ZINC000428702017 975992695 /nfs/dbraw/zinc/99/26/95/975992695.db2.gz UNVANKSRDWZXKP-WMZHIEFXSA-N -1 3 422.460 3.584 20 0 HHADHM Cc1ccc2nc(CSCC(=O)NCc3ccc([O-])c(Br)c3)cn2c1 ZINC000428869910 976160107 /nfs/dbraw/zinc/16/01/07/976160107.db2.gz CQBWXCISIIBYTL-UHFFFAOYSA-N -1 3 420.332 3.660 20 0 HHADHM C[C@@H](CCc1cccn1C)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429824790 977095635 /nfs/dbraw/zinc/09/56/35/977095635.db2.gz BZODDZMQBLVCRT-NSHDSACASA-N -1 3 405.745 3.741 20 0 HHADHM C[C@H](CC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429862272 977134824 /nfs/dbraw/zinc/13/48/24/977134824.db2.gz YWMVWHCXTUVKFE-SECBINFHSA-N -1 3 412.733 3.501 20 0 HHADHM C[C@@]1(C[N-]S(=O)(=O)c2cc(Cl)ccc2Br)CCO[C@H]1C1CC1 ZINC000429908841 977185104 /nfs/dbraw/zinc/18/51/04/977185104.db2.gz KFZBMPQCJDPAII-GJZGRUSLSA-N -1 3 408.745 3.586 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N[C@@H]1CCc2ccc(-c3ccccc3)cc21 ZINC000430186851 977378854 /nfs/dbraw/zinc/37/88/54/977378854.db2.gz AQRBXZCPZFYAGQ-MRXNPFEDSA-N -1 3 401.392 3.977 20 0 HHADHM CC1(C)Cc2ccc(Cl)c([N-]S(=O)(=O)c3ccc(N4CCCC4=O)cc3)c2O1 ZINC000430373773 977510035 /nfs/dbraw/zinc/51/00/35/977510035.db2.gz VZWSVPDXJBEASM-UHFFFAOYSA-N -1 3 420.918 3.981 20 0 HHADHM CC[C@H]1CN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)C[C@H](C)O1 ZINC000430556012 977629869 /nfs/dbraw/zinc/62/98/69/977629869.db2.gz PULYNKZRXUAQRA-ONGXEEELSA-N -1 3 413.699 3.584 20 0 HHADHM C[C@@H](c1cnn(C)c1)N(C)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430569263 977636740 /nfs/dbraw/zinc/63/67/40/977636740.db2.gz XPDYGEFCSKQLIZ-VIFPVBQESA-N -1 3 423.698 3.511 20 0 HHADHM Cc1cnccc1CNC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430571892 977637739 /nfs/dbraw/zinc/63/77/39/977637739.db2.gz DMAOFLAZTPQDQI-UHFFFAOYSA-N -1 3 406.667 3.577 20 0 HHADHM C[C@H]1C[C@H]1c1cc(NC(=O)c2c[n-]c3ccc(Oc4ccccc4)cc3c2=O)n[nH]1 ZINC000430632486 977661809 /nfs/dbraw/zinc/66/18/09/977661809.db2.gz YKBRGZQCUPGQPK-XJKSGUPXSA-N -1 3 400.438 4.419 20 0 HHADHM C[C@@H]1CSCCN1C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430654394 977670549 /nfs/dbraw/zinc/67/05/49/977670549.db2.gz REYLUQCIFXNIJR-MRVPVSSYSA-N -1 3 401.713 3.522 20 0 HHADHM Cc1nc(-c2ccc(N3C(=O)N[C@@H](c4ccc(Cl)c(F)c4)C3=O)cc2)cc(=O)[n-]1 ZINC000430929532 977893737 /nfs/dbraw/zinc/89/37/37/977893737.db2.gz OWMFCDJGJHEIFT-SFHVURJKSA-N -1 3 412.808 3.748 20 0 HHADHM O=C(c1cccc(C(F)(F)F)c1)N1CCN(C(=O)c2cc([O-])ccc2Cl)CC1 ZINC000431440107 978298918 /nfs/dbraw/zinc/29/89/18/978298918.db2.gz GCZBLOBCAKLPLH-UHFFFAOYSA-N -1 3 412.795 3.663 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](C)c3ncc(Br)cn3)nc2)n1 ZINC000431503647 978334594 /nfs/dbraw/zinc/33/45/94/978334594.db2.gz BIGDFPBPYREJMB-JTQLQIEISA-N -1 3 401.268 3.532 20 0 HHADHM O=C1[C@H]2C[C@H](C3CCCCC3)CN2C(=O)N1Cc1ccc([O-])c(Br)c1 ZINC000431860824 978556937 /nfs/dbraw/zinc/55/69/37/978556937.db2.gz RPAYEPZJNMAVMR-GOEBONIOSA-N -1 3 407.308 3.888 20 0 HHADHM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C)c2ccc(-c3csc(C)n3)cc2)oc1C ZINC000432011083 978644292 /nfs/dbraw/zinc/64/42/92/978644292.db2.gz GILYMGRGNMYXNA-LLVKDONJSA-N -1 3 420.512 3.846 20 0 HHADHM CO[C@H]1CCC[C@H](C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)C1 ZINC000432053565 978662390 /nfs/dbraw/zinc/66/23/90/978662390.db2.gz GMLXJIHNEPXNPN-LPHOPBHVSA-N -1 3 402.516 3.940 20 0 HHADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(C)=O)ccc2Cl)cc1Cl ZINC000432059702 978664246 /nfs/dbraw/zinc/66/42/46/978664246.db2.gz BCOJXSFZQBNIHH-UHFFFAOYSA-N -1 3 402.255 3.783 20 0 HHADHM COc1ccccc1[C@H]([N-]S(=O)(=O)c1ccc2c(c1)CCCC2=O)c1ccco1 ZINC000432209113 978714613 /nfs/dbraw/zinc/71/46/13/978714613.db2.gz XINPUBMDLVCMLR-QFIPXVFZSA-N -1 3 411.479 3.875 20 0 HHADHM O=S(=O)([N-]CCc1cccc(C(F)(F)F)n1)c1csc(-c2ccccc2)n1 ZINC000432267397 978735828 /nfs/dbraw/zinc/73/58/28/978735828.db2.gz CIHMYXZHAMIDST-UHFFFAOYSA-N -1 3 413.446 3.745 20 0 HHADHM Cc1nc(-c2ccc(N3C(=O)[C@@H]4CC[C@@H](c5ccccc5)N4C3=O)cc2)cc(=O)[n-]1 ZINC000432508899 978855351 /nfs/dbraw/zinc/85/53/51/978855351.db2.gz HCIRYHJRNNPXCQ-PMACEKPBSA-N -1 3 400.438 3.830 20 0 HHADHM Cc1nn(C)c2sc(C(=O)[N-]c3nnc([C@@H]4CCCc5ccccc54)s3)cc12 ZINC000432609246 978910425 /nfs/dbraw/zinc/91/04/25/978910425.db2.gz GMTSZSYNKSXDQH-CQSZACIVSA-N -1 3 409.540 4.515 20 0 HHADHM COC(=O)c1cnc(SCC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)[n-]1 ZINC000432667090 978929545 /nfs/dbraw/zinc/92/95/45/978929545.db2.gz FUIKNJXKYRCLPB-AWEZNQCLSA-N -1 3 414.314 3.959 20 0 HHADHM COC(=O)c1cnc(SCC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)[n-]1 ZINC000432670344 978930794 /nfs/dbraw/zinc/93/07/94/978930794.db2.gz OBIFZNQOLXQDPP-SFHVURJKSA-N -1 3 415.902 3.848 20 0 HHADHM COC(=O)COc1c(C)cc(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)cc1C ZINC000432697383 978940137 /nfs/dbraw/zinc/94/01/37/978940137.db2.gz WNFCKFUCNVUDSR-XSFVSMFZSA-N -1 3 404.466 3.722 20 0 HHADHM COC(=O)COc1c(C)cc(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)cc1C ZINC000432697384 978940146 /nfs/dbraw/zinc/94/01/46/978940146.db2.gz WNFCKFUCNVUDSR-ZHZULCJRSA-N -1 3 404.466 3.722 20 0 HHADHM CN(C)c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2N2CCSCC2)cc1 ZINC000432769278 978968287 /nfs/dbraw/zinc/96/82/87/978968287.db2.gz OFQGKNNRVRYSPE-UHFFFAOYSA-N -1 3 411.980 3.760 20 0 HHADHM Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1[N-]S(=O)(=O)c1ccc(N(C)C)cc1 ZINC000432772005 978969823 /nfs/dbraw/zinc/96/98/23/978969823.db2.gz OPMLTFVIXQGTGV-QGZVFWFLSA-N -1 3 415.559 3.876 20 0 HHADHM CN(C)c1ccc(S(=O)(=O)[N-]c2cccc(-c3nnc4n3CCCCC4)c2)cc1 ZINC000432775354 978971008 /nfs/dbraw/zinc/97/10/08/978971008.db2.gz UNUIVPXUSSRFNY-UHFFFAOYSA-N -1 3 411.531 3.538 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)Nc3cccc4c3CCCC4)c2)[n-]1 ZINC000432905014 979006745 /nfs/dbraw/zinc/00/67/45/979006745.db2.gz JXHQRVRXROVVHJ-UHFFFAOYSA-N -1 3 419.485 3.849 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)Nc3cccc4c3CCCC4)c2)n[n-]1 ZINC000432905014 979006749 /nfs/dbraw/zinc/00/67/49/979006749.db2.gz JXHQRVRXROVVHJ-UHFFFAOYSA-N -1 3 419.485 3.849 20 0 HHADHM Cc1nc(COc2ccc(F)cc2)sc1C(=O)[N-]c1n[nH]c(-c2ccncc2)n1 ZINC000433090637 979068484 /nfs/dbraw/zinc/06/84/84/979068484.db2.gz IWJQKCWNYVIBRR-UHFFFAOYSA-N -1 3 410.434 3.602 20 0 HHADHM O=C(Nc1cccc(C[S@@](=O)Cc2ccccc2)c1)c1cc(F)cc2n[n-]nc21 ZINC000433350516 979253515 /nfs/dbraw/zinc/25/35/15/979253515.db2.gz FLPMTWUFFBEDEX-LJAQVGFWSA-N -1 3 408.458 3.798 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H]1C[C@H]1c1cccc(F)c1 ZINC000433456791 979315614 /nfs/dbraw/zinc/31/56/14/979315614.db2.gz NFXRSGMYFIGTIN-LSDHHAIUSA-N -1 3 405.472 3.661 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)Nc3ccc(C)c(CC)c3)c2)[n-]1 ZINC000433568372 979391323 /nfs/dbraw/zinc/39/13/23/979391323.db2.gz BNPBHGOHRYHDKB-UHFFFAOYSA-N -1 3 407.474 3.841 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)Nc3ccc(C)c(CC)c3)c2)n[n-]1 ZINC000433568372 979391328 /nfs/dbraw/zinc/39/13/28/979391328.db2.gz BNPBHGOHRYHDKB-UHFFFAOYSA-N -1 3 407.474 3.841 20 0 HHADHM Cc1ncc(CNC(=O)Nc2ccc(Oc3ncc(Cl)cn3)c(Cl)c2)c(=O)[n-]1 ZINC000433658332 979459816 /nfs/dbraw/zinc/45/98/16/979459816.db2.gz BLQOEZMKGSVPFG-UHFFFAOYSA-N -1 3 421.244 3.701 20 0 HHADHM CSC1(CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)CCC1 ZINC000433690747 979486796 /nfs/dbraw/zinc/48/67/96/979486796.db2.gz VTTMXFSFZYEUCQ-UHFFFAOYSA-N -1 3 408.520 3.642 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc(Oc3ccccc3)cc2)c(C)o1 ZINC000433949453 979708440 /nfs/dbraw/zinc/70/84/40/979708440.db2.gz KQWQUGIAFHNEPC-AWEZNQCLSA-N -1 3 414.483 3.779 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)N(Cc2ccc(F)cc2)C2CCCCC2)c(C)o1 ZINC000433955576 979713854 /nfs/dbraw/zinc/71/38/54/979713854.db2.gz OYIBDDXDWIHPRB-UHFFFAOYSA-N -1 3 408.495 3.610 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2nc(-c3cc(C)c(C)cc3C)cs2)c(C)o1 ZINC000434004929 979751973 /nfs/dbraw/zinc/75/19/73/979751973.db2.gz DIUPWNXOBGEOKJ-UHFFFAOYSA-N -1 3 419.528 3.797 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](CCc2ccccc2)c2ccccc2)c(C)o1 ZINC000434083199 979830617 /nfs/dbraw/zinc/83/06/17/979830617.db2.gz OXHGJIVCNINRHW-HXUWFJFHSA-N -1 3 412.511 3.600 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)N[C@@H](CC)c3cccs3)c2)[n-]1 ZINC000434111821 979865465 /nfs/dbraw/zinc/86/54/65/979865465.db2.gz PVFAKRAJLKPTMX-HNNXBMFYSA-N -1 3 413.503 3.660 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)N[C@@H](CC)c3cccs3)c2)n[n-]1 ZINC000434111821 979865469 /nfs/dbraw/zinc/86/54/69/979865469.db2.gz PVFAKRAJLKPTMX-HNNXBMFYSA-N -1 3 413.503 3.660 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](c2oc3ccccc3c2C)C(C)C)c(C)o1 ZINC000434264201 980027149 /nfs/dbraw/zinc/02/71/49/980027149.db2.gz APHBVEBWNJAATM-GOSISDBHSA-N -1 3 404.488 3.678 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCCCC[C@H]2c2ccc(Cl)cc2)c(C)o1 ZINC000434272188 980033816 /nfs/dbraw/zinc/03/38/16/980033816.db2.gz RQPMABMVSKRFOW-KRWDZBQOSA-N -1 3 410.923 3.907 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)NCc3ccc(C(C)C)cc3)c2)[n-]1 ZINC000434272604 980034370 /nfs/dbraw/zinc/03/43/70/980034370.db2.gz VPWPVFYTPBILEJ-UHFFFAOYSA-N -1 3 421.501 3.771 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)NCc3ccc(C(C)C)cc3)c2)n[n-]1 ZINC000434272604 980034376 /nfs/dbraw/zinc/03/43/76/980034376.db2.gz VPWPVFYTPBILEJ-UHFFFAOYSA-N -1 3 421.501 3.771 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H](C)c2ccc(-c3ccccc3)cc2)c(C)o1 ZINC000434359044 980113789 /nfs/dbraw/zinc/11/37/89/980113789.db2.gz KAUAKKNOXLISSX-OAHLLOKOSA-N -1 3 412.511 3.996 20 0 HHADHM CCCCS(=O)(=O)c1ccc(C(=O)Nc2cc(Br)ccc2[O-])cc1 ZINC000434358769 980113827 /nfs/dbraw/zinc/11/38/27/980113827.db2.gz IIMTYBAHWXDLTI-UHFFFAOYSA-N -1 3 412.305 3.981 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C)c(Oc3cc(C)ccn3)c2)c(C)o1 ZINC000434359839 980114199 /nfs/dbraw/zinc/11/41/99/980114199.db2.gz YFHAABYGVUSCPJ-UHFFFAOYSA-N -1 3 415.471 3.553 20 0 HHADHM Cc1cccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCCO3)c1Br ZINC000435128101 980659021 /nfs/dbraw/zinc/65/90/21/980659021.db2.gz BYJZFTIIVIABEL-UHFFFAOYSA-N -1 3 418.696 3.983 20 0 HHADHM Cc1ccc2c(c1C)OC[C@H]2[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000435219335 980729159 /nfs/dbraw/zinc/72/91/59/980729159.db2.gz ZHZXXTDVHGXJAN-CQSZACIVSA-N -1 3 400.269 3.617 20 0 HHADHM COc1ccccc1[C@@]1(C)C[C@H]1[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000435220485 980730316 /nfs/dbraw/zinc/73/03/16/980730316.db2.gz OZCOXBNDVZLJLD-IAGOWNOFSA-N -1 3 414.296 3.605 20 0 HHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H]2C[C@H]2c2cccc(Cl)c2)cc1Cl ZINC000435436728 980861947 /nfs/dbraw/zinc/86/19/47/980861947.db2.gz HLITXRQUFQODOP-SWLSCSKDSA-N -1 3 417.289 3.925 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@](C)(CC)OC)ccc2C)cc1 ZINC000435469924 980883674 /nfs/dbraw/zinc/88/36/74/980883674.db2.gz XRRKNPFEYVZCIZ-NRFANRHFSA-N -1 3 420.531 3.948 20 0 HHADHM Cc1c(C(=O)[N-]c2nnc(-c3ccsc3)s2)nnn1Cc1ccc(F)cc1 ZINC000435497322 980903085 /nfs/dbraw/zinc/90/30/85/980903085.db2.gz WVRLUNOGMAMMPR-UHFFFAOYSA-N -1 3 400.464 3.606 20 0 HHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)s1 ZINC000435600435 980956903 /nfs/dbraw/zinc/95/69/03/980956903.db2.gz BXYYENWNBQBBLM-AULYBMBSSA-N -1 3 419.446 3.778 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3C[C@H](C)[C@H](C)C3)c2)cc1 ZINC000435953294 981110751 /nfs/dbraw/zinc/11/07/51/981110751.db2.gz NQCYGEFWMDBRLQ-CALCHBBNSA-N -1 3 416.543 3.923 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3C[C@H](C)[C@@H](C)C3)ccc2C)cc1 ZINC000435958991 981113387 /nfs/dbraw/zinc/11/33/87/981113387.db2.gz XGMHBODYUQHZDR-HOTGVXAUSA-N -1 3 402.516 3.532 20 0 HHADHM Cc1cc([C@@H]2CCCN2C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)ccc1Br ZINC000435980697 981129599 /nfs/dbraw/zinc/12/95/99/981129599.db2.gz TVOCZZDMRZFNHF-KRWDZBQOSA-N -1 3 413.271 3.618 20 0 HHADHM O=C(NCCc1cc(Cl)ccc1Br)c1cc(=O)c2ccccc2[n-]1 ZINC000436031587 981168702 /nfs/dbraw/zinc/16/87/02/981168702.db2.gz KQQDRVSIECHVMD-UHFFFAOYSA-N -1 3 405.679 3.917 20 0 HHADHM COc1ccc(Cl)cc1CS(=O)(=O)[N-][C@H](C)c1nc(C2CCCCC2)no1 ZINC000436160942 981227868 /nfs/dbraw/zinc/22/78/68/981227868.db2.gz JLWUTWPINQFUIW-GFCCVEGCSA-N -1 3 413.927 3.960 20 0 HHADHM 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ZINC000436512764 981410257 /nfs/dbraw/zinc/41/02/57/981410257.db2.gz NGUQIERGGGAHAS-QHCPKHFHSA-N -1 3 423.444 3.960 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@@H]1CCC[C@H]1OC(F)F ZINC000436517894 981412865 /nfs/dbraw/zinc/41/28/65/981412865.db2.gz ZAGRQMPUQDPWFO-CEXWTWQISA-N -1 3 418.440 3.530 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@@H]1CCC[C@H]1OC(F)F ZINC000436517897 981412956 /nfs/dbraw/zinc/41/29/56/981412956.db2.gz ZAGRQMPUQDPWFO-GUDVDZBRSA-N -1 3 418.440 3.530 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@@H]1CCCC12CCOCC2 ZINC000436518357 981413539 /nfs/dbraw/zinc/41/35/39/981413539.db2.gz KGDWGFGNDDYDHZ-FCHUYYIVSA-N -1 3 422.525 3.719 20 0 HHADHM CC[C@H](NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1cccc(Cl)c1 ZINC000436519913 981414530 /nfs/dbraw/zinc/41/45/30/981414530.db2.gz ZJDOXOWRXBCMTA-SFHVURJKSA-N -1 3 401.894 3.664 20 0 HHADHM Cc1ccc(CCNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cc1 ZINC000436523400 981416772 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ZINC000436572724 981452440 /nfs/dbraw/zinc/45/24/40/981452440.db2.gz GFNPJSWQZFJYHV-UHFFFAOYSA-N -1 3 422.554 3.690 20 0 HHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000436573778 981453375 /nfs/dbraw/zinc/45/33/75/981453375.db2.gz DPWGJNPKIRJSBQ-FQEVSTJZSA-N -1 3 416.525 3.735 20 0 HHADHM Cc1nc(CN2CCN(C(=O)c3cc(CCc4ccccc4)ccc3[O-])CC2)cs1 ZINC000436576570 981454810 /nfs/dbraw/zinc/45/48/10/981454810.db2.gz MFPYVENXYHWOEF-UHFFFAOYSA-N -1 3 421.566 3.900 20 0 HHADHM COc1ccc(C(=O)N2CCC[C@@H]2c2ccc(I)cc2)c([O-])c1 ZINC000436579289 981457200 /nfs/dbraw/zinc/45/72/00/981457200.db2.gz YQYGSOBBOKDAPV-MRXNPFEDSA-N -1 3 423.250 3.983 20 0 HHADHM O=C(CCc1ccc(Cl)c(Cl)c1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436581070 981458069 /nfs/dbraw/zinc/45/80/69/981458069.db2.gz IEWBQFVMQJEFLQ-UHFFFAOYSA-N -1 3 407.297 3.616 20 0 HHADHM CN(C)C(=O)c1cccc(CCNC(=O)c2cc(CCc3ccccc3)ccc2[O-])c1 ZINC000436581429 981458911 /nfs/dbraw/zinc/45/89/11/981458911.db2.gz FBHZEEXFDABYJH-UHFFFAOYSA-N -1 3 416.521 3.852 20 0 HHADHM CN(C(=O)c1cc(Oc2ccccc2)ccc1[O-])[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000436582363 981459261 /nfs/dbraw/zinc/45/92/61/981459261.db2.gz HMQKSFTVBGIGQM-UYAOXDASSA-N -1 3 403.500 3.612 20 0 HHADHM O=C(C[C@@H]1COCCN1C(=O)c1cc(Cc2ccccc2)ccc1[O-])c1ccco1 ZINC000436584654 981460117 /nfs/dbraw/zinc/46/01/17/981460117.db2.gz JONYWCQXTIGXDR-LJQANCHMSA-N -1 3 405.450 3.690 20 0 HHADHM COc1ccc(C(=O)N2CCC[C@@H](NC(=O)c3ccc4ccccc4c3)C2)c([O-])c1 ZINC000436589118 981462649 /nfs/dbraw/zinc/46/26/49/981462649.db2.gz VJIOFCYNHYZXMF-LJQANCHMSA-N -1 3 404.466 3.589 20 0 HHADHM CN(C(=O)c1cc(CCc2ccccc2)ccc1[O-])[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000436588827 981462677 /nfs/dbraw/zinc/46/26/77/981462677.db2.gz ODPCBDNFTFRHBP-IFMALSPDSA-N -1 3 415.555 3.605 20 0 HHADHM C[C@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000436620451 981478318 /nfs/dbraw/zinc/47/83/18/981478318.db2.gz VSAIXZJODLQCRR-INIZCTEOSA-N -1 3 409.507 3.878 20 0 HHADHM C[C@@H](CC(=O)c1ccco1)NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436623003 981480354 /nfs/dbraw/zinc/48/03/54/981480354.db2.gz FOVKWLDACUAIBB-JXFKEZNVSA-N -1 3 420.465 3.624 20 0 HHADHM O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436626136 981481434 /nfs/dbraw/zinc/48/14/34/981481434.db2.gz QELFLKJZQQBXDW-IBGZPJMESA-N -1 3 421.428 3.962 20 0 HHADHM CN(CCc1cccc2ccccc21)C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436627506 981481984 /nfs/dbraw/zinc/48/19/84/981481984.db2.gz WMWCJDGCIGPTPN-JOCHJYFZSA-N -1 3 402.494 3.851 20 0 HHADHM CN(CCc1cccc2ccccc21)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436627509 981482030 /nfs/dbraw/zinc/48/20/30/981482030.db2.gz WMWCJDGCIGPTPN-QFIPXVFZSA-N -1 3 402.494 3.851 20 0 HHADHM CCc1noc(-c2ccc(C)c(NC(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])c2)n1 ZINC000436627834 981482096 /nfs/dbraw/zinc/48/20/96/981482096.db2.gz VIUKZIQBHDIQNK-GOSISDBHSA-N -1 3 420.469 3.556 20 0 HHADHM Cc1c(Br)cccc1NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436630809 981483859 /nfs/dbraw/zinc/48/38/59/981483859.db2.gz QHABTABPPDJKKP-INIZCTEOSA-N -1 3 403.276 3.706 20 0 HHADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1cccn2c(=O)[nH]nc12 ZINC000436632087 981484342 /nfs/dbraw/zinc/48/43/42/981484342.db2.gz XUIZDGKVWWDZSE-UHFFFAOYSA-N -1 3 403.423 3.670 20 0 HHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N(C)[C@H]3CCCC[C@@H]3C)cs2)c1 ZINC000436635585 981485740 /nfs/dbraw/zinc/48/57/40/981485740.db2.gz MBMJKLSPTGQWJQ-YOEHRIQHSA-N -1 3 401.532 3.989 20 0 HHADHM COc1cc(F)ccc1NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000436638384 981487662 /nfs/dbraw/zinc/48/76/62/981487662.db2.gz HKHANGVREKGGTB-UHFFFAOYSA-N -1 3 415.446 3.738 20 0 HHADHM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436642865 981489524 /nfs/dbraw/zinc/48/95/24/981489524.db2.gz VITSLMCNVXENNJ-JUXOCIIHSA-N -1 3 416.562 3.590 20 0 HHADHM COc1cc(Cl)c(Cl)cc1NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436644318 981490406 /nfs/dbraw/zinc/49/04/06/981490406.db2.gz 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CCOc1cc(CN(C)C(=O)c2cc(OC)c([O-])c(OC)c2)ccc1OC(F)F ZINC000436667596 981500804 /nfs/dbraw/zinc/50/08/04/981500804.db2.gz XTDHBZBOWQGRDY-UHFFFAOYSA-N -1 3 411.401 3.682 20 0 HHADHM CCN(Cc1c(F)cccc1F)C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000436671040 981502841 /nfs/dbraw/zinc/50/28/41/981502841.db2.gz UAXTYWXOIVSJKO-UHFFFAOYSA-N -1 3 415.396 3.881 20 0 HHADHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000436675865 981506118 /nfs/dbraw/zinc/50/61/18/981506118.db2.gz MIUWUYLWWRZZFI-IIZPIQPGSA-N -1 3 404.510 3.934 20 0 HHADHM O=C(NCCNC(=O)[C@H](Sc1ccccc1F)c1ccccc1)c1ccc([O-])cc1 ZINC000436684262 981510939 /nfs/dbraw/zinc/51/09/39/981510939.db2.gz ZOBXNOJSHYYPHF-OAQYLSRUSA-N -1 3 424.497 3.911 20 0 HHADHM Cc1ccc(C(=O)NCCc2nc(Cc3c(Cl)cccc3Cl)no2)c([O-])c1 ZINC000436689723 981513904 /nfs/dbraw/zinc/51/39/04/981513904.db2.gz NVOIIRZOLQVHAC-UHFFFAOYSA-N -1 3 406.269 3.954 20 0 HHADHM COc1cc(-c2nc(C(C)(C)NC(=O)c3cccc(Cl)c3)no2)cc(OC)c1[O-] ZINC000436690491 981514493 /nfs/dbraw/zinc/51/44/93/981514493.db2.gz QVEKEYNRERBOJF-UHFFFAOYSA-N -1 3 417.849 3.778 20 0 HHADHM O=C(c1ccc([O-])cc1)N1CCN(CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000436697078 981518732 /nfs/dbraw/zinc/51/87/32/981518732.db2.gz RNCSRXMPQVZSRG-UHFFFAOYSA-N -1 3 419.308 3.933 20 0 HHADHM CC(C)(C)[C@H](NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccc(F)cc1 ZINC000436696827 981518753 /nfs/dbraw/zinc/51/87/53/981518753.db2.gz IBIYNGNNSORSFG-HXUWFJFHSA-N -1 3 413.493 3.786 20 0 HHADHM O=C(N[C@H](CC(=O)N(CCO)CC1CCCCC1)c1ccccc1)c1ccc([O-])cc1 ZINC000436703046 981521308 /nfs/dbraw/zinc/52/13/08/981521308.db2.gz HIIDEKCVOBIXNU-HSZRJFAPSA-N -1 3 424.541 3.655 20 0 HHADHM CN(C)[C@H](C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1cncn1C ZINC000436709338 981523633 /nfs/dbraw/zinc/52/36/33/981523633.db2.gz VPRQMLNVYRKQDS-IBGZPJMESA-N -1 3 407.499 3.644 20 0 HHADHM Cc1ccc(OC2CCN(C(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])CC2)cc1C ZINC000436713167 981526214 /nfs/dbraw/zinc/52/62/14/981526214.db2.gz QCGVNASAEOZSEO-JOCHJYFZSA-N -1 3 422.525 3.684 20 0 HHADHM O=C(N[C@@H]1CCC[C@H](c2ccccc2)C1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436716620 981528137 /nfs/dbraw/zinc/52/81/37/981528137.db2.gz UJCIIHREMGWPGZ-VQTJNVASSA-N -1 3 407.514 3.586 20 0 HHADHM O=C(N[C@H]1CCC[C@@H](c2ccccc2)C1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436716619 981528233 /nfs/dbraw/zinc/52/82/33/981528233.db2.gz UJCIIHREMGWPGZ-UXHICEINSA-N -1 3 407.514 3.586 20 0 HHADHM O=C(NC[C@H]1CCN(CC(F)(F)F)C1)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436721679 981531133 /nfs/dbraw/zinc/53/11/33/981531133.db2.gz HIYWUYTYGKNOJF-GOSISDBHSA-N -1 3 406.448 3.791 20 0 HHADHM O=C(N[C@@H]1CCCc2sc(Cl)cc21)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436739792 981539475 /nfs/dbraw/zinc/53/94/75/981539475.db2.gz QMLUXCHOFOGUCP-HUUCEWRRSA-N -1 3 404.919 3.906 20 0 HHADHM O=C(NCCNC(=O)c1ccc([O-])cc1)c1csc(-c2ccc(Cl)cc2)c1 ZINC000436738989 981539495 /nfs/dbraw/zinc/53/94/95/981539495.db2.gz MUYQORKVEFUSTK-UHFFFAOYSA-N -1 3 400.887 3.934 20 0 HHADHM Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1OCC(F)F ZINC000436738736 981539670 /nfs/dbraw/zinc/53/96/70/981539670.db2.gz UHSBUNCZXRXMET-INIZCTEOSA-N -1 3 404.413 3.588 20 0 HHADHM Cc1cccc([C@H](NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)C(C)(C)C)c1 ZINC000436741813 981540891 /nfs/dbraw/zinc/54/08/91/981540891.db2.gz UQXCFVPXNCSGDS-NRFANRHFSA-N -1 3 409.530 3.955 20 0 HHADHM COc1ccccc1[C@@H](CNC(=O)c1cc(Cl)c([O-])c(OC)c1)N1CCCC1 ZINC000436744769 981542217 /nfs/dbraw/zinc/54/22/17/981542217.db2.gz PNEJGVCVQABTID-QGZVFWFLSA-N -1 3 404.894 3.630 20 0 HHADHM COc1cc(OC)cc([C@H](NC(=O)c2ccc(C(C)C)cc2[O-])c2nccn2C)c1 ZINC000436753158 981546133 /nfs/dbraw/zinc/54/61/33/981546133.db2.gz CRPSQBVVQINGIV-NRFANRHFSA-N -1 3 409.486 3.786 20 0 HHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccccc1NCc1ccco1 ZINC000436776461 981556597 /nfs/dbraw/zinc/55/65/97/981556597.db2.gz JDWXZVHLMRFUMN-UHFFFAOYSA-N -1 3 419.481 3.632 20 0 HHADHM O=C(NC1CC(c2ccc(F)c(Cl)c2)C1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436781034 981558788 /nfs/dbraw/zinc/55/87/88/981558788.db2.gz AQNLWMXHCVEXLE-JFIBYHEFSA-N -1 3 416.880 3.852 20 0 HHADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000436785067 981559888 /nfs/dbraw/zinc/55/98/88/981559888.db2.gz ZQVILQZSZXWMOU-HXUWFJFHSA-N -1 3 421.472 3.592 20 0 HHADHM Cc1csc(N(C)C(=O)c2cc(CN3C(=O)c4ccccc4C3=O)cc(C)c2[O-])n1 ZINC000436789003 981562026 /nfs/dbraw/zinc/56/20/26/981562026.db2.gz AYVWOKSVNZMFFE-UHFFFAOYSA-N -1 3 421.478 3.538 20 0 HHADHM CCc1noc(C)c1NC(=O)c1cc(CN2C(=O)c3ccccc3C2=O)cc(C)c1[O-] ZINC000436792810 981564083 /nfs/dbraw/zinc/56/40/83/981564083.db2.gz YAFXKNSFCOOTKT-UHFFFAOYSA-N -1 3 419.437 3.608 20 0 HHADHM CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000436800407 981568115 /nfs/dbraw/zinc/56/81/15/981568115.db2.gz VGSNCTKLJWZSTI-ADLMAVQZSA-N -1 3 421.291 3.619 20 0 HHADHM O=C(Nc1ccnc(Sc2ccccn2)c1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436812533 981572960 /nfs/dbraw/zinc/57/29/60/981572960.db2.gz XZCDKVUXHCBAQH-QGZVFWFLSA-N -1 3 420.494 3.577 20 0 HHADHM CCc1nn(-c2ccccc2)c(CC)c1CNC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000436814082 981573449 /nfs/dbraw/zinc/57/34/49/981573449.db2.gz QUUXVEHQBQTYNJ-UHFFFAOYSA-N -1 3 409.486 3.650 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1nc2cc(F)ccc2[nH]1 ZINC000436820053 981576029 /nfs/dbraw/zinc/57/60/29/981576029.db2.gz FWSVVFXTUPDIAR-LJQANCHMSA-N -1 3 418.428 3.908 20 0 HHADHM COc1cc(Br)ccc1[C@H](C)NC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000436839765 981585167 /nfs/dbraw/zinc/58/51/67/981585167.db2.gz MRIDMHWHPRLLNQ-JTQLQIEISA-N -1 3 407.264 3.613 20 0 HHADHM CC(C)(C)C(=O)c1ccc(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436841836 981585830 /nfs/dbraw/zinc/58/58/30/981585830.db2.gz BEJBXLPOKRDIRO-UHFFFAOYSA-N -1 3 409.486 3.611 20 0 HHADHM Cc1nn(-c2ccccc2)c(C)c1[C@@H](NC(=O)c1ccc(O)cc1[O-])C(F)(F)F ZINC000436844941 981586641 /nfs/dbraw/zinc/58/66/41/981586641.db2.gz QNMGEZJVSYPTAP-GOSISDBHSA-N -1 3 405.376 3.934 20 0 HHADHM CC(C)(C)c1nc2cc(NC(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])ccc2[nH]1 ZINC000436846754 981587788 /nfs/dbraw/zinc/58/77/88/981587788.db2.gz YCWMSUYPWALYPL-SFHVURJKSA-N -1 3 406.486 3.809 20 0 HHADHM C[C@H](c1nnc(-c2cccc(Cl)c2)o1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436847833 981588405 /nfs/dbraw/zinc/58/84/05/981588405.db2.gz RPPFOLZSVNGKKP-CQSZACIVSA-N -1 3 412.877 3.615 20 0 HHADHM Cc1cc(C(F)(F)F)ccc1CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436847785 981588456 /nfs/dbraw/zinc/58/84/56/981588456.db2.gz LOALKMFTDAKXKY-QGZVFWFLSA-N -1 3 406.404 3.640 20 0 HHADHM CC(=O)c1ccc(C(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1[O-] ZINC000436863061 981596351 /nfs/dbraw/zinc/59/63/51/981596351.db2.gz IWZWSZOBSCBLJV-UHFFFAOYSA-N -1 3 406.404 3.572 20 0 HHADHM O=C(NCCCCCOC1CCCCC1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436864286 981596623 /nfs/dbraw/zinc/59/66/23/981596623.db2.gz NFEMAMSXHCHYKR-HXUWFJFHSA-N -1 3 402.535 3.633 20 0 HHADHM Cc1cc(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c(Br)s1 ZINC000436867168 981597127 /nfs/dbraw/zinc/59/71/27/981597127.db2.gz ALQUPZOXIRTIHR-UHFFFAOYSA-N -1 3 423.332 3.559 20 0 HHADHM C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])c1ccc(-c2ccncc2)cc1 ZINC000436868861 981597329 /nfs/dbraw/zinc/59/73/29/981597329.db2.gz KVMOWNIXTSWFOA-VGOFRKELSA-N -1 3 415.493 3.936 20 0 HHADHM C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])c1ccc(-c2ccncc2)cc1 ZINC000436868860 981597392 /nfs/dbraw/zinc/59/73/92/981597392.db2.gz KVMOWNIXTSWFOA-JTSKRJEESA-N -1 3 415.493 3.936 20 0 HHADHM Cc1cccc(O[C@H](C)C(=O)N2CCN(C(=O)c3ccc(C(C)C)cc3[O-])CC2)c1 ZINC000436874629 981598674 /nfs/dbraw/zinc/59/86/74/981598674.db2.gz ATAMPOOZUBBBCE-GOSISDBHSA-N -1 3 410.514 3.576 20 0 HHADHM CCc1ccc(-c2nc(CC(=O)Nc3ccccc3Br)no2)c([O-])c1 ZINC000436876910 981599405 /nfs/dbraw/zinc/59/94/05/981599405.db2.gz CFZPQGHMCJJTEL-UHFFFAOYSA-N -1 3 402.248 3.948 20 0 HHADHM O=S(=O)(Cc1noc(-c2cc(OCc3ccccc3)ccc2[O-])n1)c1ccccc1 ZINC000436884143 981600611 /nfs/dbraw/zinc/60/06/11/981600611.db2.gz JXWYUYKDIGWVSI-UHFFFAOYSA-N -1 3 422.462 3.995 20 0 HHADHM CC(C)C[C@H](C)n1nccc1NC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436888559 981602177 /nfs/dbraw/zinc/60/21/77/981602177.db2.gz NTCNHBVIXYZDIQ-INIZCTEOSA-N -1 3 413.522 3.622 20 0 HHADHM CC(C)[C@H](C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1cccc(Cl)c1 ZINC000436889643 981602593 /nfs/dbraw/zinc/60/25/93/981602593.db2.gz YPFYOVZTKBOFIG-FQEVSTJZSA-N -1 3 400.906 3.770 20 0 HHADHM CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1cc(F)cc(Br)c1[O-] ZINC000436894287 981604060 /nfs/dbraw/zinc/60/40/60/981604060.db2.gz FFBAMQGECOZHOT-UHFFFAOYSA-N -1 3 413.262 3.637 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCCOc1ccccc1F ZINC000436900284 981606619 /nfs/dbraw/zinc/60/66/19/981606619.db2.gz BKVDDAUYEOZLQW-NRFANRHFSA-N -1 3 422.456 3.588 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCCc1ccc(F)cc1 ZINC000436900951 981607043 /nfs/dbraw/zinc/60/70/43/981607043.db2.gz FQRDHTSZSVGFAO-QFIPXVFZSA-N -1 3 406.457 3.751 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1ccc2c(c1)OCO2 ZINC000436900905 981607076 /nfs/dbraw/zinc/60/70/76/981607076.db2.gz FFYBWAZEOLIMHL-LJQANCHMSA-N -1 3 404.422 3.621 20 0 HHADHM CC(=O)Nc1cccc(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC000436901655 981607780 /nfs/dbraw/zinc/60/77/80/981607780.db2.gz HOPQDDSKYOTXNL-JOCHJYFZSA-N -1 3 417.465 3.851 20 0 HHADHM Cc1cccc(OCCNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC000436903280 981609269 /nfs/dbraw/zinc/60/92/69/981609269.db2.gz MEDMRGALNMHZMP-HSZRJFAPSA-N -1 3 418.493 3.757 20 0 HHADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CC=C(c2c(F)cccc2F)CC1 ZINC000436903391 981609324 /nfs/dbraw/zinc/60/93/24/981609324.db2.gz MPKLOHXUFOJLDI-LJQANCHMSA-N -1 3 412.436 3.591 20 0 HHADHM O=C(NCCNC(=O)c1ccc([O-])cc1)c1sc2ccccc2c1Br ZINC000436909204 981614551 /nfs/dbraw/zinc/61/45/51/981614551.db2.gz LPRBHEJTDUNYMQ-UHFFFAOYSA-N -1 3 419.300 3.529 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCCOc1ccc(F)cc1 ZINC000436909099 981614558 /nfs/dbraw/zinc/61/45/58/981614558.db2.gz KXLNRAXSQILGQS-QFIPXVFZSA-N -1 3 422.456 3.588 20 0 HHADHM CC(C)(C)c1ncc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cn1 ZINC000436909512 981615412 /nfs/dbraw/zinc/61/54/12/981615412.db2.gz YZUDLSKTUFVNFK-FQEVSTJZSA-N -1 3 418.497 3.980 20 0 HHADHM COc1ccc(CNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cc1F ZINC000436910408 981616231 /nfs/dbraw/zinc/61/62/31/981616231.db2.gz NVLNVEMXVQUDIX-NRFANRHFSA-N -1 3 422.456 3.718 20 0 HHADHM CCCN(CC)c1ccc(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436911910 981617648 /nfs/dbraw/zinc/61/76/48/981617648.db2.gz SAGXEUNUVFZSHY-UHFFFAOYSA-N -1 3 409.530 3.663 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCc2sccc2C1 ZINC000436916068 981621324 /nfs/dbraw/zinc/62/13/24/981621324.db2.gz URADYUMOLFENBP-HXUWFJFHSA-N -1 3 406.507 3.900 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1cccc2c[nH]nc21 ZINC000436916319 981622236 /nfs/dbraw/zinc/62/22/36/981622236.db2.gz VZTVQRYJFDXFFM-HXUWFJFHSA-N -1 3 400.438 3.768 20 0 HHADHM Cc1ccc(-c2nc(Cc3cc(Br)c4c(c3)OCCO4)no2)c([O-])c1 ZINC000436919250 981623661 /nfs/dbraw/zinc/62/36/61/981623661.db2.gz KNXSIZBVHCPCOT-UHFFFAOYSA-N -1 3 403.232 3.875 20 0 HHADHM COc1cccc(-c2nc(Cc3ccc(OC)c(OC)c3Br)no2)c1[O-] ZINC000436921117 981625065 /nfs/dbraw/zinc/62/50/65/981625065.db2.gz SGPJEBVTSOJFBK-UHFFFAOYSA-N -1 3 421.247 3.821 20 0 HHADHM CCc1nc(CCNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cs1 ZINC000436921649 981625274 /nfs/dbraw/zinc/62/52/74/981625274.db2.gz KBZYWHNVVRIZNV-HXUWFJFHSA-N -1 3 423.538 3.631 20 0 HHADHM Cc1csc([C@@H](C)NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)n1 ZINC000436922010 981626294 /nfs/dbraw/zinc/62/62/94/981626294.db2.gz LTAMXMGGAGMNBJ-BEFAXECRSA-N -1 3 409.511 3.896 20 0 HHADHM CN(C(=O)c1cc(CCc2ccccc2)ccc1[O-])[C@@H](CC(N)=O)c1ccccc1 ZINC000436923250 981627215 /nfs/dbraw/zinc/62/72/15/981627215.db2.gz SMXLYNWPWDNSFV-QFIPXVFZSA-N -1 3 402.494 3.866 20 0 HHADHM CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)c3cc(CCc4ccccc4)ccc3[O-])[C@H]2C1 ZINC000436931413 981630888 /nfs/dbraw/zinc/63/08/88/981630888.db2.gz BWMJGQSWRGPKLV-PMVMPFDFSA-N -1 3 406.526 3.554 20 0 HHADHM O=C(c1ccccc1[O-])N1CCC(Nc2ncnc3sc4c(c32)CCCC4)CC1 ZINC000436935804 981633229 /nfs/dbraw/zinc/63/32/29/981633229.db2.gz LRXOEUDBPLZQBV-UHFFFAOYSA-N -1 3 408.527 3.992 20 0 HHADHM CN(CCn1cc(Br)cn1)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436938094 981634755 /nfs/dbraw/zinc/63/47/55/981634755.db2.gz JYFXAJZLIZULEP-UHFFFAOYSA-N -1 3 416.275 3.916 20 0 HHADHM CC(C)n1cc2cc(NC(=O)NC3CCN(C(=O)c4ccccc4[O-])CC3)ccc2n1 ZINC000436943937 981636943 /nfs/dbraw/zinc/63/69/43/981636943.db2.gz HWLJFVLOASQFBI-UHFFFAOYSA-N -1 3 421.501 3.749 20 0 HHADHM C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436946590 981638540 /nfs/dbraw/zinc/63/85/40/981638540.db2.gz SKKXAVFCAGPTBF-KRWDZBQOSA-N -1 3 424.541 3.878 20 0 HHADHM COC1(CNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCCCC1 ZINC000436946165 981638562 /nfs/dbraw/zinc/63/85/62/981638562.db2.gz WCBNEHQMAORNOK-NRFANRHFSA-N -1 3 410.514 3.719 20 0 HHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1nc2ccccc2cc1Cl ZINC000436947633 981639294 /nfs/dbraw/zinc/63/92/94/981639294.db2.gz RLBQNHCISIFRNS-UHFFFAOYSA-N -1 3 409.873 3.628 20 0 HHADHM Cc1cc(O[C@H](C)C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)ccc1Cl ZINC000436948322 981639418 /nfs/dbraw/zinc/63/94/18/981639418.db2.gz WENYZLUPFXMDPX-OAHLLOKOSA-N -1 3 416.905 3.542 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)c2c(F)cccc2F)c1 ZINC000436950686 981641441 /nfs/dbraw/zinc/64/14/41/981641441.db2.gz OCPJHIZGUQYQGC-JTQLQIEISA-N -1 3 401.369 3.710 20 0 HHADHM CCCOCc1ccccc1CNC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000436952436 981642285 /nfs/dbraw/zinc/64/22/85/981642285.db2.gz XOFTZDQBZRJNMP-UHFFFAOYSA-N -1 3 423.469 3.798 20 0 HHADHM COc1ccc(C(C)(C)CNC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])cc1 ZINC000436954789 981644395 /nfs/dbraw/zinc/64/43/95/981644395.db2.gz BDINYBHTROGYPO-UHFFFAOYSA-N -1 3 423.469 3.657 20 0 HHADHM Cc1ccccc1[C@@H](CC(C)C)NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436956079 981645652 /nfs/dbraw/zinc/64/56/52/981645652.db2.gz LBOZOUFLNHDNMD-OAQYLSRUSA-N -1 3 409.530 3.955 20 0 HHADHM Cc1cc(CN2C(=O)c3ccccc3C2=O)cc(-c2nc(CCC3CC3)no2)c1[O-] ZINC000436957588 981646294 /nfs/dbraw/zinc/64/62/94/981646294.db2.gz YOEMNJJKWVKQLT-UHFFFAOYSA-N -1 3 403.438 3.889 20 0 HHADHM CCO[C@H](CCNC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-])C1CCCC1 ZINC000436958889 981647920 /nfs/dbraw/zinc/64/79/20/981647920.db2.gz AIMGRVABDSTLBV-HXUWFJFHSA-N -1 3 415.490 3.656 20 0 HHADHM CCCCO[C@@H]1C[C@@H](NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])C1(C)C ZINC000436959095 981648150 /nfs/dbraw/zinc/64/81/50/981648150.db2.gz FNHSIAOJXXUOKR-RTBURBONSA-N -1 3 415.490 3.655 20 0 HHADHM C[C@H](Cc1cncc2ccccc21)C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436967713 981654419 /nfs/dbraw/zinc/65/44/19/981654419.db2.gz YILSRKNEFFDZES-QGZVFWFLSA-N -1 3 417.509 3.540 20 0 HHADHM CCCCOc1ccc(C(=O)NC2CCN(C(=O)c3ccc(C)cc3)CC2)c([O-])c1 ZINC000436970286 981655218 /nfs/dbraw/zinc/65/52/18/981655218.db2.gz DKVKCMGPPDHKSW-UHFFFAOYSA-N -1 3 410.514 3.914 20 0 HHADHM CCCCOc1ccc(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c([O-])c1 ZINC000436970296 981655337 /nfs/dbraw/zinc/65/53/37/981655337.db2.gz DLRQQULGSBAEBF-UHFFFAOYSA-N -1 3 416.905 3.823 20 0 HHADHM CCCCOc1ccc(C(=O)N2CCC(C(=O)OC)(c3ccccc3)CC2)c([O-])c1 ZINC000436970992 981656199 /nfs/dbraw/zinc/65/61/99/981656199.db2.gz IDCMANMRKSXLEF-UHFFFAOYSA-N -1 3 411.498 3.918 20 0 HHADHM CCCCOc1ccc(C(=O)N2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)c([O-])c1 ZINC000436972938 981658687 /nfs/dbraw/zinc/65/86/87/981658687.db2.gz RDRNPJSLYSERKX-QGZVFWFLSA-N -1 3 415.465 3.746 20 0 HHADHM C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436976787 981662150 /nfs/dbraw/zinc/66/21/50/981662150.db2.gz ARKLXPICBAXFPP-OAHLLOKOSA-N -1 3 420.431 3.574 20 0 HHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC(c2nnc3n2CCCC3)CC1 ZINC000436982506 981665988 /nfs/dbraw/zinc/66/59/88/981665988.db2.gz XPCOKMUYSQCUJV-UHFFFAOYSA-N -1 3 416.525 3.931 20 0 HHADHM CCC(CC)[C@H]1C[C@@H](NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])CCO1 ZINC000436985579 981668332 /nfs/dbraw/zinc/66/83/32/981668332.db2.gz CXCBXCSCOVGQTD-OXJNMPFZSA-N -1 3 415.490 3.655 20 0 HHADHM C[C@H]1N(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCC12CCOCC2 ZINC000436993049 981673462 /nfs/dbraw/zinc/67/34/62/981673462.db2.gz XZVHPYGWCMLIFF-GCJKJVERSA-N -1 3 422.525 3.671 20 0 HHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCCNC(=O)[C@@H]1Cc1ccccc1 ZINC000436996149 981675303 /nfs/dbraw/zinc/67/53/03/981675303.db2.gz BHMCMEFQWJPFKI-QFIPXVFZSA-N -1 3 416.477 3.758 20 0 HHADHM O=C(Nc1cccc(-c2nccs2)c1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436999517 981676706 /nfs/dbraw/zinc/67/67/06/981676706.db2.gz FYSTVUZFLFOVRB-UHFFFAOYSA-N -1 3 408.483 3.506 20 0 HHADHM COc1cc(NC(=O)CCNC(=O)c2ccc(C)cc2[O-])cc(OC)c1C(C)C ZINC000437004498 981680555 /nfs/dbraw/zinc/68/05/55/981680555.db2.gz UKUHHJXFHVMLJV-UHFFFAOYSA-N -1 3 400.475 3.600 20 0 HHADHM CSC1(CNC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)CC1 ZINC000448413114 981765018 /nfs/dbraw/zinc/76/50/18/981765018.db2.gz IKIXBQIBXCZNFB-UHFFFAOYSA-N -1 3 401.713 3.569 20 0 HHADHM CCN(C(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000437127627 981779806 /nfs/dbraw/zinc/77/98/06/981779806.db2.gz VCXVKSBPEGWPHT-FQEVSTJZSA-N -1 3 412.509 3.849 20 0 HHADHM O=S(=O)([N-]c1ccc(CCN2CCSCC2)cc1)c1cccc2cccnc21 ZINC000437301252 981953593 /nfs/dbraw/zinc/95/35/93/981953593.db2.gz BXPAKHRZSYGPFK-UHFFFAOYSA-N -1 3 413.568 3.627 20 0 HHADHM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)o1 ZINC000437465893 982096851 /nfs/dbraw/zinc/09/68/51/982096851.db2.gz HBUOAUXFVXMMRV-YPMHNXCESA-N -1 3 416.952 3.581 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)CCC3CC3)ccc2C)cc1 ZINC000437497444 982123749 /nfs/dbraw/zinc/12/37/49/982123749.db2.gz DFFLMPIGZLRJIP-UHFFFAOYSA-N -1 3 402.516 3.677 20 0 HHADHM COc1ccc2c(c1)C1(CC1)CN(C(=O)NCc1ccc([O-])c(Br)c1)C2 ZINC000460361378 982135971 /nfs/dbraw/zinc/13/59/71/982135971.db2.gz UHGAWNVMWAUDSH-UHFFFAOYSA-N -1 3 417.303 3.920 20 0 HHADHM COc1cccc(-n2c3ccccc3nc2NC(=O)CCc2c(C)nc(C)[n-]c2=O)c1 ZINC000460397546 982178191 /nfs/dbraw/zinc/17/81/91/982178191.db2.gz GBDVSDPRXNHZCW-UHFFFAOYSA-N -1 3 417.469 3.718 20 0 HHADHM Cc1ccc([N-]S(=O)(=O)c2cnn(-c3ccccc3F)c2)c(Br)c1 ZINC000460453242 982247337 /nfs/dbraw/zinc/24/73/37/982247337.db2.gz IFDPLVSXKNJXMQ-UHFFFAOYSA-N -1 3 410.268 3.883 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CC[C@H](Cc3ccccc3)C2)cc1OC ZINC000437836762 982394079 /nfs/dbraw/zinc/39/40/79/982394079.db2.gz DMGQPCQSTQTGJI-QGZVFWFLSA-N -1 3 417.531 3.553 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NC[C@@H](C)Cc2cccs2)cc1OC ZINC000437840242 982397347 /nfs/dbraw/zinc/39/73/47/982397347.db2.gz VSKSNIIUYDCYFK-ZDUSSCGKSA-N -1 3 411.549 3.519 20 0 HHADHM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cc(OC)c(C(=O)OC)cc2Cl)c1 ZINC000460750309 982507962 /nfs/dbraw/zinc/50/79/62/982507962.db2.gz BHKKAKRVNNIDBX-UHFFFAOYSA-N -1 3 411.863 3.529 20 0 HHADHM CCOc1cccc2[nH]cc(CC(=O)Nc3ccc(-c4nc(C)cc(=O)[n-]4)cc3)c21 ZINC000438046623 982548339 /nfs/dbraw/zinc/54/83/39/982548339.db2.gz HCUSUMGKPTUUTG-UHFFFAOYSA-N -1 3 402.454 3.807 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C2(Cc3ccc(F)cc3)CC2)cc1OC ZINC000438054708 982556302 /nfs/dbraw/zinc/55/63/02/982556302.db2.gz CSZGSJIGGGCOIE-UHFFFAOYSA-N -1 3 406.479 3.557 20 0 HHADHM CC(C)(COc1ccc(C(F)(F)F)cn1)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000438229063 982666552 /nfs/dbraw/zinc/66/65/52/982666552.db2.gz GCHIGJHSWMMTHG-UHFFFAOYSA-N -1 3 405.376 3.529 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2c[nH]cc2-c2ccc(F)cc2)cc1OC ZINC000460990603 982711558 /nfs/dbraw/zinc/71/15/58/982711558.db2.gz QHJNVEIMYBGKEN-UHFFFAOYSA-N -1 3 417.462 3.843 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000438310649 982715637 /nfs/dbraw/zinc/71/56/37/982715637.db2.gz CMDABSREZZCONW-HOMQSWHASA-N -1 3 407.318 3.588 20 0 HHADHM CCc1ccc(Cl)c(CC)c1[N-]S(=O)(=O)c1ccc(OCC(=O)OC)cc1 ZINC000461131481 982832765 /nfs/dbraw/zinc/83/27/65/982832765.db2.gz QLJMZRNGHQLNGI-UHFFFAOYSA-N -1 3 411.907 3.817 20 0 HHADHM COc1ccc(OCCS(=O)(=O)[N-]c2cccc(Oc3ccccn3)c2)cc1 ZINC000438726471 983027849 /nfs/dbraw/zinc/02/78/49/983027849.db2.gz UOHWYQHZQBYVPF-UHFFFAOYSA-N -1 3 400.456 3.703 20 0 HHADHM COC(=O)c1cc(C(=O)[N-]c2ncc(Cc3ccc(Br)cc3)s2)no1 ZINC000438792842 983074400 /nfs/dbraw/zinc/07/44/00/983074400.db2.gz PJQBLZBIMDFYNF-UHFFFAOYSA-N -1 3 422.260 3.523 20 0 HHADHM C[C@@H]1CCC[C@@H](N(Cc2c(F)cccc2Cl)C(=O)c2[nH]c(=O)[n-]c(=O)c2N)[C@H]1C ZINC000438925708 983157777 /nfs/dbraw/zinc/15/77/77/983157777.db2.gz MADMLIHXHIEJAM-JRPNMDOOSA-N -1 3 422.888 3.730 20 0 HHADHM O=C([N-]c1nnc(SCc2ccc(Cl)cc2)s1)c1nccn2ccnc12 ZINC000438978325 983191633 /nfs/dbraw/zinc/19/16/33/983191633.db2.gz MAOSPCNCHYCDNC-UHFFFAOYSA-N -1 3 402.892 3.779 20 0 HHADHM COc1ccc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)c(OCc2ccccc2)c1 ZINC000439026446 983218118 /nfs/dbraw/zinc/21/81/18/983218118.db2.gz GCYXFNAQIDDUTD-UHFFFAOYSA-N -1 3 407.470 3.958 20 0 HHADHM C[S@](=O)c1ccc(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cc1 ZINC000439063219 983233707 /nfs/dbraw/zinc/23/37/07/983233707.db2.gz ZVLLXDQRYQXAEY-DFXYEROKSA-N -1 3 422.506 3.630 20 0 HHADHM Cn1c2cc([O-])c(NC(=O)Cc3cc4c(ccc5ccccc45)o3)cc2n(C)c1=O ZINC000461609591 983237065 /nfs/dbraw/zinc/23/70/65/983237065.db2.gz OEPGDBJERDXHJB-UHFFFAOYSA-N -1 3 401.422 3.663 20 0 HHADHM Cn1c2cc([O-])c(NC(=O)CCCOc3cccc4ccccc43)cc2n(C)c1=O ZINC000461609958 983237443 /nfs/dbraw/zinc/23/74/43/983237443.db2.gz PAYOIXNMQKKARL-UHFFFAOYSA-N -1 3 405.454 3.534 20 0 HHADHM Cn1c2cc([O-])c(NC(=O)c3occc3CSc3ccccc3)cc2n(C)c1=O ZINC000461610572 983237621 /nfs/dbraw/zinc/23/76/21/983237621.db2.gz BHVDBDSTYWUTQE-UHFFFAOYSA-N -1 3 409.467 3.720 20 0 HHADHM O=S(=O)([N-]Cc1nc(-c2cccs2)c[nH]1)c1cc(C(F)(F)F)ccc1F ZINC000439194349 983303513 /nfs/dbraw/zinc/30/35/13/983303513.db2.gz VLQMYNMWQNMEHY-UHFFFAOYSA-N -1 3 405.398 3.775 20 0 HHADHM Cc1cc(CCCC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c(C)s1 ZINC000439960544 983595672 /nfs/dbraw/zinc/59/56/72/983595672.db2.gz WAMOKGVAWZISCY-UHFFFAOYSA-N -1 3 400.544 3.814 20 0 HHADHM O=S(=O)(Cc1c(F)cccc1F)[N-]c1cccc2c1CN(CC(F)(F)F)C2 ZINC000440090219 983640151 /nfs/dbraw/zinc/64/01/51/983640151.db2.gz GRXXUXIJDOFZQY-UHFFFAOYSA-N -1 3 406.376 3.785 20 0 HHADHM C[C@@H](CSCc1ccccc1)C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000440144213 983659254 /nfs/dbraw/zinc/65/92/54/983659254.db2.gz KZHZFSTVTSRKID-KRWDZBQOSA-N -1 3 412.555 3.683 20 0 HHADHM Cc1cc(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)ccc1C(F)(F)F ZINC000440298183 983710635 /nfs/dbraw/zinc/71/06/35/983710635.db2.gz PJUBKAAGYCNLSQ-UHFFFAOYSA-N -1 3 412.842 3.646 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(NC(=O)c3ccco3)cc2)c(F)cc1F ZINC000440380022 983738820 /nfs/dbraw/zinc/73/88/20/983738820.db2.gz JCBYGHKTSFXTCE-UHFFFAOYSA-N -1 3 406.410 3.597 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(OCc3ccccn3)cc2)c(F)cc1F ZINC000440393562 983743012 /nfs/dbraw/zinc/74/30/12/983743012.db2.gz RKYDXFDBDGARDO-UHFFFAOYSA-N -1 3 404.438 3.726 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N(C)[C@H]3CCCC[C@@H]3CC)c2)n1 ZINC000441783524 984450262 /nfs/dbraw/zinc/45/02/62/984450262.db2.gz CGOQCDWUPZOLAF-KXBFYZLASA-N -1 3 410.518 3.777 20 0 HHADHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCC[C@H]2C(F)(F)F)cc1Cl ZINC000441988248 984581195 /nfs/dbraw/zinc/58/11/95/984581195.db2.gz DRKXMBGOBANKMO-GXFFZTMASA-N -1 3 413.845 3.774 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCCC[C@H]3O)cc2)cc1C ZINC000442231043 984750627 /nfs/dbraw/zinc/75/06/27/984750627.db2.gz SLTRKGCUVVSMLP-RTBURBONSA-N -1 3 405.516 3.795 20 0 HHADHM COc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3F)c2)nc1 ZINC000461772357 984773182 /nfs/dbraw/zinc/77/31/82/984773182.db2.gz BUOSEJHYPOPYJS-UHFFFAOYSA-N -1 3 415.446 3.591 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@](CO)(Cc4ccccc4)C3)nc2)n1 ZINC000461883893 984908072 /nfs/dbraw/zinc/90/80/72/984908072.db2.gz BSDASTCCAYNYKD-DEOSSOPVSA-N -1 3 404.514 3.628 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H](C)CC2CC2)c(Br)c1 ZINC000462149711 985122181 /nfs/dbraw/zinc/12/21/81/985122181.db2.gz RJISMUXPEIJMJF-SECBINFHSA-N -1 3 411.159 3.987 20 0 HHADHM C[C@@H]1COCC[C@@H]1c1noc(-c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)n1 ZINC000442684069 985155335 /nfs/dbraw/zinc/15/53/35/985155335.db2.gz WSJWCKBBKLHAST-CJNGLKHVSA-N -1 3 417.462 3.817 20 0 HHADHM CC(C)(CC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1)CC(=O)c1ccccc1 ZINC000442711400 985179154 /nfs/dbraw/zinc/17/91/54/985179154.db2.gz HAMCHLFHJAOMJN-UHFFFAOYSA-N -1 3 422.525 3.802 20 0 HHADHM O=S(=O)([N-]CCc1ccccc1OC(F)(F)F)c1cnccc1C(F)(F)F ZINC000442738223 985194917 /nfs/dbraw/zinc/19/49/17/985194917.db2.gz PLHAOMUKXKVNLR-UHFFFAOYSA-N -1 3 414.327 3.520 20 0 HHADHM Cc1ccc([C@@H]2OCCC[C@@H]2C[N-]S(=O)(=O)c2cnccc2C(F)(F)F)cc1 ZINC000442744432 985199951 /nfs/dbraw/zinc/19/99/51/985199951.db2.gz SJOHGSNGYVIRIE-QAPCUYQASA-N -1 3 414.449 3.855 20 0 HHADHM Cc1ccc([C@H]2OCCC[C@H]2C[N-]S(=O)(=O)c2cnccc2C(F)(F)F)cc1 ZINC000442744431 985200046 /nfs/dbraw/zinc/20/00/46/985200046.db2.gz SJOHGSNGYVIRIE-MAUKXSAKSA-N -1 3 414.449 3.855 20 0 HHADHM O=S(=O)([N-][C@H]1CCCOc2cc(Cl)ccc21)c1cnccc1C(F)(F)F ZINC000442756602 985205346 /nfs/dbraw/zinc/20/53/46/985205346.db2.gz ZTTYVCAGLNPAIV-ZDUSSCGKSA-N -1 3 406.813 3.946 20 0 HHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccccc1C(F)(F)F)c1ccc(Br)cn1 ZINC000462257086 985243561 /nfs/dbraw/zinc/24/35/61/985243561.db2.gz IGFGGUJBVUQIKU-WCQYABFASA-N -1 3 421.238 3.697 20 0 HHADHM O=S(=O)([N-]Cc1ccnc(Oc2ccc(F)cc2)c1)c1cc(F)c(F)c(F)c1 ZINC000462261769 985249729 /nfs/dbraw/zinc/24/97/29/985249729.db2.gz YOMSEAGVIMEUMN-UHFFFAOYSA-N -1 3 412.364 3.909 20 0 HHADHM O=S(=O)([N-][C@@H]1CCOc2c(F)ccc(F)c21)c1ccc(Br)cc1F ZINC000462277111 985266453 /nfs/dbraw/zinc/26/64/53/985266453.db2.gz JHEWLXOESPDOFC-GFCCVEGCSA-N -1 3 422.222 3.669 20 0 HHADHM O=S(=O)([N-]Cc1cc(Oc2ccc(F)cc2)ccn1)c1cc(F)c(F)c(F)c1 ZINC000462292676 985279484 /nfs/dbraw/zinc/27/94/84/985279484.db2.gz FQVUCCDBRNJWNT-UHFFFAOYSA-N -1 3 412.364 3.909 20 0 HHADHM O=S(=O)(c1ccc(Cl)c(-c2nnn[n-]2)c1)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000442922963 985282064 /nfs/dbraw/zinc/28/20/64/985282064.db2.gz LRSOSUWSEOEKFQ-UHFFFAOYSA-N -1 3 424.313 3.527 20 0 HHADHM O=S(=O)(c1ccc(Cl)c(-c2nn[n-]n2)c1)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000442922963 985282071 /nfs/dbraw/zinc/28/20/71/985282071.db2.gz LRSOSUWSEOEKFQ-UHFFFAOYSA-N -1 3 424.313 3.527 20 0 HHADHM COc1ccccc1[C@]1(C)C[C@H]1[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000462312929 985300589 /nfs/dbraw/zinc/30/05/89/985300589.db2.gz HDTDPPOERHMQHB-ZBFHGGJFSA-N -1 3 416.362 3.836 20 0 HHADHM CC(C)c1ncc(CN(C)C(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)cn1 ZINC000442976315 985312532 /nfs/dbraw/zinc/31/25/32/985312532.db2.gz SYYQJAHSWFZGDO-UHFFFAOYSA-N -1 3 420.391 3.612 20 0 HHADHM COc1ccccc1[C@]1(C)C[C@H]1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000462324469 985314105 /nfs/dbraw/zinc/31/41/05/985314105.db2.gz CQKGNDMXZGVYFX-DOMZBBRYSA-N -1 3 402.335 3.528 20 0 HHADHM CC[C@@H](c1ccccc1)N(CC)S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000442980958 985315864 /nfs/dbraw/zinc/31/58/64/985315864.db2.gz YDYBHXUACGNZBO-KRWDZBQOSA-N -1 3 405.911 3.682 20 0 HHADHM CC[C@@H](c1ccccc1)N(CC)S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000442980958 985315878 /nfs/dbraw/zinc/31/58/78/985315878.db2.gz YDYBHXUACGNZBO-KRWDZBQOSA-N -1 3 405.911 3.682 20 0 HHADHM O=S(=O)(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CC2(CCCC2)c2ccccc21 ZINC000443027641 985342663 /nfs/dbraw/zinc/34/26/63/985342663.db2.gz PASKPPRYTFLEQA-UHFFFAOYSA-N -1 3 415.906 3.541 20 0 HHADHM O=S(=O)(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CC2(CCCC2)c2ccccc21 ZINC000443027641 985342672 /nfs/dbraw/zinc/34/26/72/985342672.db2.gz PASKPPRYTFLEQA-UHFFFAOYSA-N -1 3 415.906 3.541 20 0 HHADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000443033933 985346611 /nfs/dbraw/zinc/34/66/11/985346611.db2.gz HDZOBXUICXQHSM-ZDUSSCGKSA-N -1 3 418.496 3.762 20 0 HHADHM CC(C)[C@@H](C)N1Cc2cccc([N-]S(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)c2C1 ZINC000462366041 985352872 /nfs/dbraw/zinc/35/28/72/985352872.db2.gz OUKMEQBQSSZAJA-OAHLLOKOSA-N -1 3 411.527 3.689 20 0 HHADHM COC(=O)c1nscc1S(=O)(=O)[N-]C1(c2ccc(Cl)cc2)CCCCC1 ZINC000443075314 985363675 /nfs/dbraw/zinc/36/36/75/985363675.db2.gz WORXYZCXKVBSCE-UHFFFAOYSA-N -1 3 414.936 3.721 20 0 HHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](c1ccccc1)c1cccnc1 ZINC000443075440 985363915 /nfs/dbraw/zinc/36/39/15/985363915.db2.gz UZMIPTRGFFDCQI-LJQANCHMSA-N -1 3 416.886 3.590 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C[C@@H]1CCc2ccccc21 ZINC000443080093 985365434 /nfs/dbraw/zinc/36/54/34/985365434.db2.gz SGRKZZHZRAZNSF-AWEZNQCLSA-N -1 3 401.509 3.696 20 0 HHADHM C[C@@H](CCc1cccn1C)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000462394655 985374351 /nfs/dbraw/zinc/37/43/51/985374351.db2.gz FZLDCLXBBOGKEU-NSHDSACASA-N -1 3 405.745 3.741 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H]1CSc2ccccc21 ZINC000443105123 985377230 /nfs/dbraw/zinc/37/72/30/985377230.db2.gz BQWKIUZLOCBPRC-CYBMUJFWSA-N -1 3 405.522 3.813 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]Cc1nc2ccccc2s1 ZINC000443105738 985377814 /nfs/dbraw/zinc/37/78/14/985377814.db2.gz WXYRQZDIOJECKV-UHFFFAOYSA-N -1 3 418.521 3.776 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C1(c2ccccc2F)CC1 ZINC000443106435 985377913 /nfs/dbraw/zinc/37/79/13/985377913.db2.gz DVASTTQRPCYIBU-UHFFFAOYSA-N -1 3 405.472 3.795 20 0 HHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](c1ccc(OC)cc1)C1CC1 ZINC000443106465 985378253 /nfs/dbraw/zinc/37/82/53/985378253.db2.gz YBHHQBSFTMLJLG-GOSISDBHSA-N -1 3 409.891 3.565 20 0 HHADHM CSC1(C[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CCOCC1 ZINC000462402359 985380006 /nfs/dbraw/zinc/38/00/06/985380006.db2.gz UEIJNUDQURLGMK-UHFFFAOYSA-N -1 3 403.875 3.549 20 0 HHADHM CC(C)(C)[C@H](CCO)[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000443132215 985396034 /nfs/dbraw/zinc/39/60/34/985396034.db2.gz KMWRQQBPLDGYLM-LBPRGKRZSA-N -1 3 418.275 3.543 20 0 HHADHM CC(C)(C)[C@@H](CCO)[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000443132214 985396249 /nfs/dbraw/zinc/39/62/49/985396249.db2.gz KMWRQQBPLDGYLM-GFCCVEGCSA-N -1 3 418.275 3.543 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2ccco2)c(Br)c1 ZINC000462474225 985431461 /nfs/dbraw/zinc/43/14/61/985431461.db2.gz LMQLEIXWAQGBJI-UHFFFAOYSA-N -1 3 409.099 3.592 20 0 HHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C[C@@H](C)Cc2cccs2)cc1Cl ZINC000462490393 985444246 /nfs/dbraw/zinc/44/42/46/985444246.db2.gz GICOLQOLZKXARI-JTQLQIEISA-N -1 3 404.916 3.656 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@H](C)COCc2ccccc2)s1 ZINC000462511866 985463170 /nfs/dbraw/zinc/46/31/70/985463170.db2.gz HVWINAUXIISHRT-GFCCVEGCSA-N -1 3 418.378 3.950 20 0 HHADHM O=S(=O)([N-][C@H](CO)c1cccc(F)c1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000443275930 985466405 /nfs/dbraw/zinc/46/64/05/985466405.db2.gz YWKCZZISZJYRRK-OAHLLOKOSA-N -1 3 412.895 3.615 20 0 HHADHM Cc1cc(NC(=O)C(=O)NCc2ccc([O-])c(Br)c2)cc(C)c1Cl ZINC000443293553 985476666 /nfs/dbraw/zinc/47/66/66/985476666.db2.gz GAMAXRBNQZQROH-UHFFFAOYSA-N -1 3 411.683 3.680 20 0 HHADHM CCN(CC)[C@H](C[N-]S(=O)(=O)c1sc(C)cc1Br)c1ccco1 ZINC000462537662 985485047 /nfs/dbraw/zinc/48/50/47/985485047.db2.gz PLVVCBDTNJUQBT-CYBMUJFWSA-N -1 3 421.382 3.773 20 0 HHADHM O=S(=O)([N-]CCc1cc(Br)ccc1F)c1cc(F)c(F)c(F)c1 ZINC000462549118 985496620 /nfs/dbraw/zinc/49/66/20/985496620.db2.gz FHFBWWHYRPKFTM-UHFFFAOYSA-N -1 3 412.202 3.527 20 0 HHADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@@H](C)[C@@H]2c2ccccc2)cc1 ZINC000462572916 985520129 /nfs/dbraw/zinc/52/01/29/985520129.db2.gz ODJIALAHQDRCCK-OXQOHEQNSA-N -1 3 422.572 3.610 20 0 HHADHM O=S(=O)([N-]C[C@H](CO)c1ccccc1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000443360775 985523219 /nfs/dbraw/zinc/52/32/19/985523219.db2.gz SSJMUVFUVOCNFJ-OAHLLOKOSA-N -1 3 408.932 3.518 20 0 HHADHM CO[C@H]1CCCC[C@@H]1NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000443382156 985540711 /nfs/dbraw/zinc/54/07/11/985540711.db2.gz DQILDYMXSHHAIL-KBPBESRZSA-N -1 3 413.699 3.631 20 0 HHADHM CO[C@H]1CCN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)[C@H](C)C1 ZINC000443381702 985540901 /nfs/dbraw/zinc/54/09/01/985540901.db2.gz QBKXOXDNMGREOU-KOLCDFICSA-N -1 3 413.699 3.584 20 0 HHADHM CO[C@@H]1CCN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)[C@H](C)C1 ZINC000443381703 985541278 /nfs/dbraw/zinc/54/12/78/985541278.db2.gz QBKXOXDNMGREOU-MWLCHTKSSA-N -1 3 413.699 3.584 20 0 HHADHM CC[C@H](C)OCC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000443388576 985544892 /nfs/dbraw/zinc/54/48/92/985544892.db2.gz PUSBHRJEHRDSFU-HNNXBMFYSA-N -1 3 406.504 3.558 20 0 HHADHM C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])c1ccc(Br)s1 ZINC000443397865 985551724 /nfs/dbraw/zinc/55/17/24/985551724.db2.gz GJNTUUBKAZRMHY-YPMHNXCESA-N -1 3 423.332 3.698 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@](C)(O)Cc3ccccc3)cc2)cc1 ZINC000467925022 985558584 /nfs/dbraw/zinc/55/85/84/985558584.db2.gz UCPUIOGDDIELKI-QHCPKHFHSA-N -1 3 424.522 3.728 20 0 HHADHM C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000467925762 985559377 /nfs/dbraw/zinc/55/93/77/985559377.db2.gz FDGGVPWSKKSDTH-HUUCEWRRSA-N -1 3 421.950 3.952 20 0 HHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)c1 ZINC000462627002 985570217 /nfs/dbraw/zinc/57/02/17/985570217.db2.gz ORUONDVCZVQENC-SAZUREKKSA-N -1 3 403.276 3.789 20 0 HHADHM COc1ccccc1-c1noc([C@@H](C)[N-]S(=O)(=O)c2ccc(C)c(Cl)c2)n1 ZINC000462651782 985592237 /nfs/dbraw/zinc/59/22/37/985592237.db2.gz ATZVSLWYACYHDH-GFCCVEGCSA-N -1 3 407.879 3.747 20 0 HHADHM CO[C@@H](C[N-]S(=O)(=O)c1ccc(Br)s1)c1cccc(Cl)c1 ZINC000462652394 985593080 /nfs/dbraw/zinc/59/30/80/985593080.db2.gz CCSSXTAXKPXNOM-NSHDSACASA-N -1 3 410.742 3.830 20 0 HHADHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2sc(C)cc2Br)C12CCCC2 ZINC000462653170 985593681 /nfs/dbraw/zinc/59/36/81/985593681.db2.gz AQBZUPFLEIWHQP-STQMWFEESA-N -1 3 408.383 3.835 20 0 HHADHM C[C@H]([N-]S(=O)(=O)c1ccc(OCc2ccccc2)cc1)c1nc(C(C)(C)C)no1 ZINC000462661700 985600914 /nfs/dbraw/zinc/60/09/14/985600914.db2.gz PNTZWYZOEMPRCM-HNNXBMFYSA-N -1 3 415.515 3.986 20 0 HHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(C(F)F)cc2)cc1Cl ZINC000462676793 985614495 /nfs/dbraw/zinc/61/44/95/985614495.db2.gz HTAXIYSMYADVGR-UHFFFAOYSA-N -1 3 406.813 3.854 20 0 HHADHM COc1cccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3cc(Cl)ccc3C)n2)c1 ZINC000462680856 985619883 /nfs/dbraw/zinc/61/98/83/985619883.db2.gz MVEFKASRLNNPFT-GFCCVEGCSA-N -1 3 407.879 3.747 20 0 HHADHM COc1cccc(O[C@@H](C)C[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)c1 ZINC000462696474 985636806 /nfs/dbraw/zinc/63/68/06/985636806.db2.gz LEQURPZKVLJMAN-AWEZNQCLSA-N -1 3 404.513 3.565 20 0 HHADHM Cc1cc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)nc(-c2ccc(Cl)cc2)n1 ZINC000443477494 985652789 /nfs/dbraw/zinc/65/27/89/985652789.db2.gz SEWQYAQUVCEQLN-UHFFFAOYSA-N -1 3 416.890 3.729 20 0 HHADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)[C@@H](O)Cc1ccccc1 ZINC000443481085 985655678 /nfs/dbraw/zinc/65/56/78/985655678.db2.gz DQOGMFIFHVJFBT-NHYWBVRUSA-N -1 3 407.841 3.629 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]Cc1nc(C(C)C)cs1 ZINC000443485214 985660685 /nfs/dbraw/zinc/66/06/85/985660685.db2.gz GAYJGGQWQFZEHF-UHFFFAOYSA-N -1 3 410.542 3.746 20 0 HHADHM CCOCCC1(C[N-]S(=O)(=O)c2c3ccccc3sc2C(=O)OC)CCC1 ZINC000443487482 985662335 /nfs/dbraw/zinc/66/23/35/985662335.db2.gz HIVFLHWHYKWJTL-UHFFFAOYSA-N -1 3 411.545 3.563 20 0 HHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H]3CCCCN3Cc3ccccc3)cc2)n1 ZINC000468046692 985705695 /nfs/dbraw/zinc/70/56/95/985705695.db2.gz FJGQCGFCSRBITN-NRFANRHFSA-N -1 3 402.498 3.739 20 0 HHADHM O=C(Cn1cc(Cl)c(=O)[n-]c1=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000468068641 985726889 /nfs/dbraw/zinc/72/68/89/985726889.db2.gz LSGBKPHMELWXNT-UHFFFAOYSA-N -1 3 406.225 3.687 20 0 HHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cc(Cl)cc(Br)c1F ZINC000443902011 986099582 /nfs/dbraw/zinc/09/95/82/986099582.db2.gz AKXCFVKQDGIVSM-UHFFFAOYSA-N -1 3 421.675 3.865 20 0 HHADHM Cc1nc(COc2ccc(F)cc2)sc1C(=O)[N-]c1nc2ccc(F)cn2n1 ZINC000443932660 986141558 /nfs/dbraw/zinc/14/15/58/986141558.db2.gz AEEIYNUJLBJYTK-UHFFFAOYSA-N -1 3 401.398 3.604 20 0 HHADHM CCc1nn(-c2ccccc2)c(CC)c1CNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000468484096 986181601 /nfs/dbraw/zinc/18/16/01/986181601.db2.gz OMZAPHYGTDLBLF-UHFFFAOYSA-N -1 3 400.482 3.769 20 0 HHADHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@H](CC(F)(F)F)c2ccccc2C)c1 ZINC000443980539 986184960 /nfs/dbraw/zinc/18/49/60/986184960.db2.gz MYMPIMTUSILMJQ-MRXNPFEDSA-N -1 3 419.396 3.893 20 0 HHADHM C[C@@H](C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)N1CCCCCC1 ZINC000468505874 986207420 /nfs/dbraw/zinc/20/74/20/986207420.db2.gz PPUWBJDFPSJYEB-INIZCTEOSA-N -1 3 419.522 3.830 20 0 HHADHM C[C@H](c1ccsc1)N1CCN(C(=O)NCc2ccc([O-])c(Br)c2)CC1 ZINC000463299874 986267643 /nfs/dbraw/zinc/26/76/43/986267643.db2.gz BUIGNVHNKXOLSY-CYBMUJFWSA-N -1 3 424.364 3.805 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CN3C[C@H](C)O[C@@H](C)C3)c2)cc1Cl ZINC000444202276 986381340 /nfs/dbraw/zinc/38/13/40/986381340.db2.gz CPRKUPWEKVISFP-GJZGRUSLSA-N -1 3 424.950 3.759 20 0 HHADHM Cc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000444206288 986387439 /nfs/dbraw/zinc/38/74/39/986387439.db2.gz QEOXZZYWZDZPOB-UHFFFAOYSA-N -1 3 401.301 3.759 20 0 HHADHM C[C@H]1[C@H]([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2Cl)CCCN1C ZINC000444212970 986396384 /nfs/dbraw/zinc/39/63/84/986396384.db2.gz OJSPMGIQLGXCRR-WCBMZHEXSA-N -1 3 416.168 3.517 20 0 HHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000444214773 986397695 /nfs/dbraw/zinc/39/76/95/986397695.db2.gz ATWNBBTVFVVVBN-MEDUHNTESA-N -1 3 409.401 3.642 20 0 HHADHM O=S(=O)([N-]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1)c1cc(Cl)ccc1Cl ZINC000444215850 986398877 /nfs/dbraw/zinc/39/88/77/986398877.db2.gz BMXPZXISABXXQL-TVQRCGJNSA-N -1 3 406.253 3.755 20 0 HHADHM CN(C(=O)CCCc1ccc([O-])c(F)c1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000468751402 986466033 /nfs/dbraw/zinc/46/60/33/986466033.db2.gz ABOBUOBKIDSUDE-SFHVURJKSA-N -1 3 404.869 3.771 20 0 HHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)[C@H]2CCCc3cccnc32)CC1 ZINC000444300660 986485990 /nfs/dbraw/zinc/48/59/90/986485990.db2.gz ACCOIHCBFNWVMM-KRWDZBQOSA-N -1 3 413.905 3.738 20 0 HHADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CCO[C@@H](c2ccsc2)C1 ZINC000444301874 986487452 /nfs/dbraw/zinc/48/74/52/986487452.db2.gz OIQPOLUZDFURRZ-MRXNPFEDSA-N -1 3 419.300 3.566 20 0 HHADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CCS[C@H]2CCCC[C@H]21 ZINC000444312654 986495178 /nfs/dbraw/zinc/49/51/78/986495178.db2.gz TYTIMBJLPOKIRF-CVEARBPZSA-N -1 3 407.333 3.791 20 0 HHADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CCS[C@@H]2CCCC[C@@H]21 ZINC000444312657 986495275 /nfs/dbraw/zinc/49/52/75/986495275.db2.gz TYTIMBJLPOKIRF-JKSUJKDBSA-N -1 3 407.333 3.791 20 0 HHADHM COC(=O)Cc1nc(NC(=O)c2cc(Cl)ccc2Oc2cccc(Cl)c2)n[n-]1 ZINC000468803166 986511606 /nfs/dbraw/zinc/51/16/06/986511606.db2.gz CWONUEWWLVUYTC-UHFFFAOYSA-N -1 3 421.240 3.872 20 0 HHADHM O=C(c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)N1CCCc2cccc(O)c21 ZINC000444337443 986515302 /nfs/dbraw/zinc/51/53/02/986515302.db2.gz CTTAGPZSJXVERF-UHFFFAOYSA-N -1 3 404.344 3.725 20 0 HHADHM O=C(Nc1ccccc1-c1cn[nH]c1)c1c[n-]c2ccc(Br)cc2c1=O ZINC000444367489 986545056 /nfs/dbraw/zinc/54/50/56/986545056.db2.gz IIAJKJIKTYYHDP-UHFFFAOYSA-N -1 3 409.243 3.933 20 0 HHADHM Cn1ccnc1[C@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)c1ccc(Cl)cc1 ZINC000463692744 986675504 /nfs/dbraw/zinc/67/55/04/986675504.db2.gz ZZOIKRBGDLPXMX-OAHLLOKOSA-N -1 3 414.289 3.934 20 0 HHADHM CC[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccccc1OCC(=O)N(C)C ZINC000469014851 986722938 /nfs/dbraw/zinc/72/29/38/986722938.db2.gz NQYCHUVTUFPHNV-IBGZPJMESA-N -1 3 416.493 3.589 20 0 HHADHM CCc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)Cc3ccc(C)c(F)c3)n2)cc1 ZINC000469025085 986734434 /nfs/dbraw/zinc/73/44/34/986734434.db2.gz SLXIBVBCPIDPTA-AWEZNQCLSA-N -1 3 403.479 3.927 20 0 HHADHM CC[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000469030815 986740387 /nfs/dbraw/zinc/74/03/87/986740387.db2.gz SIYDZNBELYSWLQ-NFBKMPQASA-N -1 3 410.493 3.938 20 0 HHADHM CCc1ncc(S(=O)(=O)[N-][C@H](C)c2ccc(Br)cc2OC)s1 ZINC000469063289 986776250 /nfs/dbraw/zinc/77/62/50/986776250.db2.gz WMLTZLBJIVXAAV-SECBINFHSA-N -1 3 405.339 3.516 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)N[C@@H](CC(F)(F)F)c2ccccc2C)c([O-])c1 ZINC000444629879 986815480 /nfs/dbraw/zinc/81/54/80/986815480.db2.gz XUDHPQYYFFSKEO-KRWDZBQOSA-N -1 3 408.420 3.939 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000469114985 986831060 /nfs/dbraw/zinc/83/10/60/986831060.db2.gz ZGSYVKZAGDORHU-CYBMUJFWSA-N -1 3 416.276 3.717 20 0 HHADHM CCOC(=O)c1nc(C2CCN(C(=O)c3ccccc3Cc3ccccc3)CC2)n[n-]1 ZINC000444657731 986837604 /nfs/dbraw/zinc/83/76/04/986837604.db2.gz DIDKZNSZCCGAMY-UHFFFAOYSA-N -1 3 418.497 3.592 20 0 HHADHM CCOC(=O)c1nnc(C2CCN(C(=O)c3ccccc3Cc3ccccc3)CC2)[n-]1 ZINC000444657731 986837619 /nfs/dbraw/zinc/83/76/19/986837619.db2.gz DIDKZNSZCCGAMY-UHFFFAOYSA-N -1 3 418.497 3.592 20 0 HHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2ccc(OCC3CC3)c(F)c2)s1 ZINC000469158813 986883124 /nfs/dbraw/zinc/88/31/24/986883124.db2.gz XTQGUUJGHFFEHX-LLVKDONJSA-N -1 3 413.492 3.502 20 0 HHADHM CCOC(=O)c1nc(C2CCN(C(=O)C[C@H]3C[C@@H](C)c4c3cccc4C)CC2)n[n-]1 ZINC000444758573 986919821 /nfs/dbraw/zinc/91/98/21/986919821.db2.gz YRPLLMJKZLFSGH-NVXWUHKLSA-N -1 3 410.518 3.677 20 0 HHADHM CCOC(=O)c1nnc(C2CCN(C(=O)C[C@H]3C[C@@H](C)c4c3cccc4C)CC2)[n-]1 ZINC000444758573 986919829 /nfs/dbraw/zinc/91/98/29/986919829.db2.gz YRPLLMJKZLFSGH-NVXWUHKLSA-N -1 3 410.518 3.677 20 0 HHADHM CCOC(=O)c1nc(C2CCN(C(=O)CSc3ccc(C(C)C)cc3)CC2)n[n-]1 ZINC000444760138 986922582 /nfs/dbraw/zinc/92/25/82/986922582.db2.gz RRFQZZYEVRLMFD-UHFFFAOYSA-N -1 3 416.547 3.603 20 0 HHADHM CCOC(=O)c1nnc(C2CCN(C(=O)CSc3ccc(C(C)C)cc3)CC2)[n-]1 ZINC000444760138 986922586 /nfs/dbraw/zinc/92/25/86/986922586.db2.gz RRFQZZYEVRLMFD-UHFFFAOYSA-N -1 3 416.547 3.603 20 0 HHADHM CCc1nc(CN2CCC(CNC(=O)CCCc3ccc([O-])c(F)c3)CC2)cs1 ZINC000469255551 986975122 /nfs/dbraw/zinc/97/51/22/986975122.db2.gz ZBMXWPKTLKTVNG-UHFFFAOYSA-N -1 3 419.566 3.901 20 0 HHADHM CCc1ccc(CS(=O)(=O)[N-][C@@H](c2nc(-c3cccnc3)no2)C(C)C)cc1 ZINC000469256442 986975983 /nfs/dbraw/zinc/97/59/83/986975983.db2.gz PSMASIAQKNTCJT-GOSISDBHSA-N -1 3 400.504 3.511 20 0 HHADHM CC(C)CO[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)C1 ZINC000469311896 987024267 /nfs/dbraw/zinc/02/42/67/987024267.db2.gz NBBSPFIRIDYDER-KRWDZBQOSA-N -1 3 420.506 3.514 20 0 HHADHM Cc1c(NC(=O)CCCc2ccc([O-])c(F)c2)cccc1S(=O)(=O)NC(C)(C)C ZINC000469369136 987065934 /nfs/dbraw/zinc/06/59/34/987065934.db2.gz IVRKNCHUAMJKMA-UHFFFAOYSA-N -1 3 422.522 3.878 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000469395226 987093558 /nfs/dbraw/zinc/09/35/58/987093558.db2.gz JEAGGOFZNKIPND-QGZVFWFLSA-N -1 3 404.869 3.819 20 0 HHADHM COc1ccc(Cl)cc1NC(=O)CCNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000469411577 987103116 /nfs/dbraw/zinc/10/31/16/987103116.db2.gz HMCNTSUDPFOFKD-UHFFFAOYSA-N -1 3 408.857 3.661 20 0 HHADHM CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)Nc2ccc3c(c2)CC(C)(C)O3)cc1 ZINC000469452280 987138350 /nfs/dbraw/zinc/13/83/50/987138350.db2.gz LPLHPXLIGLAYPV-UHFFFAOYSA-N -1 3 418.515 3.568 20 0 HHADHM CCc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3cnc4ccccc4c3)n2)cc1 ZINC000445036768 987167274 /nfs/dbraw/zinc/16/72/74/987167274.db2.gz DESCHTZHHJSFEB-CQSZACIVSA-N -1 3 408.483 3.887 20 0 HHADHM CCOC(=O)[C@@H](Cc1ccccc1Cl)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000469623587 987285486 /nfs/dbraw/zinc/28/54/86/987285486.db2.gz WFJQLJZLPUEHGJ-GOSISDBHSA-N -1 3 407.869 3.798 20 0 HHADHM O=C(c1c[n-]c2c(Cl)cc(Br)cc2c1=O)N(CC(F)F)C1CC1 ZINC000469661973 987319313 /nfs/dbraw/zinc/31/93/13/987319313.db2.gz PQPQRCATJRFMOE-UHFFFAOYSA-N -1 3 405.626 3.814 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1 ZINC000469666006 987322596 /nfs/dbraw/zinc/32/25/96/987322596.db2.gz VIOCJHUQDZJGLO-GOSISDBHSA-N -1 3 413.493 3.529 20 0 HHADHM COc1cc(-c2nc(CC(=O)Nc3cc(Cl)ccc3Cl)no2)cc(OC)c1[O-] ZINC000445339529 987396313 /nfs/dbraw/zinc/39/63/13/987396313.db2.gz GDDMPMBEAJCWJQ-UHFFFAOYSA-N -1 3 424.240 3.947 20 0 HHADHM O=C(Cc1noc(-c2cc3c(cc2[O-])OCO3)n1)Nc1cc(Cl)cc(Cl)c1 ZINC000445385570 987444169 /nfs/dbraw/zinc/44/41/69/987444169.db2.gz PVYWAPUWMSRDDM-UHFFFAOYSA-N -1 3 408.197 3.659 20 0 HHADHM O=C(CCn1ccnc1)Nc1cccc(-c2nc(-c3ccc([O-])cc3Cl)no2)c1 ZINC000445450815 987520187 /nfs/dbraw/zinc/52/01/87/987520187.db2.gz WYPDDTKLTZAAIY-UHFFFAOYSA-N -1 3 409.833 3.988 20 0 HHADHM CC(C)[N-]S(=O)(=O)c1cc(-c2nc(-c3c[nH]c4ccccc34)no2)ccc1F ZINC000445453104 987521818 /nfs/dbraw/zinc/52/18/18/987521818.db2.gz VLKBVAOYWBZZCK-UHFFFAOYSA-N -1 3 400.435 3.711 20 0 HHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3nc(C)cn3c2)cc1Br ZINC000469970368 987587579 /nfs/dbraw/zinc/58/75/79/987587579.db2.gz ZXQJJHGWPISWDP-UHFFFAOYSA-N -1 3 410.293 3.605 20 0 HHADHM O=S(=O)([N-]c1ccccc1F)c1c[nH]c(-c2nc(C3CCSCC3)no2)c1 ZINC000445556818 987616724 /nfs/dbraw/zinc/61/67/24/987616724.db2.gz JPASIFHXNKTBTF-UHFFFAOYSA-N -1 3 408.480 3.615 20 0 HHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)CCC(=O)c1csc2ccccc12 ZINC000445672804 987741112 /nfs/dbraw/zinc/74/11/12/987741112.db2.gz BNHXXIKIAZQXBJ-UHFFFAOYSA-N -1 3 402.497 3.874 20 0 HHADHM O=S(=O)([N-][C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl)c1ccco1 ZINC000445730838 987794485 /nfs/dbraw/zinc/79/44/85/987794485.db2.gz GDGBLWUEPYOIKR-IBGZPJMESA-N -1 3 405.859 3.772 20 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404.557 3.730 20 0 HHADHM Cc1ccccc1-c1noc([C@H](C)S(=O)(=O)c2nc(CCC3CCCC3)n[n-]2)n1 ZINC000465032586 989355900 /nfs/dbraw/zinc/35/59/00/989355900.db2.gz WHDNFOOWTKHLFP-AWEZNQCLSA-N -1 3 415.519 3.821 20 0 HHADHM Cc1ccccc1-c1noc([C@H](C)S(=O)(=O)c2nnc(CCC3CCCC3)[n-]2)n1 ZINC000465032586 989355910 /nfs/dbraw/zinc/35/59/10/989355910.db2.gz WHDNFOOWTKHLFP-AWEZNQCLSA-N -1 3 415.519 3.821 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNc3nc(C)c(C)s3)c2)cc1 ZINC000465054220 989379053 /nfs/dbraw/zinc/37/90/53/989379053.db2.gz UCVDZYIYPFLOER-UHFFFAOYSA-N -1 3 403.529 4.181 20 0 HHADHM Cc1[nH]nc(NC(=O)CCCc2ccc([O-])c(F)c2)c1-c1ccc2c(c1)OCCO2 ZINC000471303257 989465536 /nfs/dbraw/zinc/46/55/36/989465536.db2.gz GRCAQFWIDIFVSP-UHFFFAOYSA-N -1 3 411.433 3.962 20 0 HHADHM CO[C@@H](CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C)C(C)(C)C ZINC000465204043 989550232 /nfs/dbraw/zinc/55/02/32/989550232.db2.gz MWDHMCXVBSNFSJ-IBGZPJMESA-N -1 3 422.522 3.726 20 0 HHADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H](c2cccc(Cl)c2)c2ccccn2)c1 ZINC000471875975 990047882 /nfs/dbraw/zinc/04/78/82/990047882.db2.gz WWKHXMDITJLJEA-QGZVFWFLSA-N -1 3 422.915 3.651 20 0 HHADHM CC(C)NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)c1 ZINC000471935891 990100623 /nfs/dbraw/zinc/10/06/23/990100623.db2.gz HNNWKRNGIARAIR-UHFFFAOYSA-N -1 3 409.870 3.899 20 0 HHADHM CN1CC[C@@H](NC(=O)N=c2nc(-c3ccccc3Cl)[n-]s2)[C@H]1c1ccccc1 ZINC000471942118 990106059 /nfs/dbraw/zinc/10/60/59/990106059.db2.gz IPVWGJVKTBZWBY-IAGOWNOFSA-N -1 3 413.934 3.847 20 0 HHADHM CCCC1(C(=O)NCc2cccc([N-]S(=O)(=O)c3ccc(OC)cc3)c2)CC1 ZINC000472069662 990231804 /nfs/dbraw/zinc/23/18/04/990231804.db2.gz LHLJUDOUOAEXCQ-UHFFFAOYSA-N -1 3 402.516 3.693 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(-n3cc(C)cn3)c(F)c2)cc1OC ZINC000466319023 991573484 /nfs/dbraw/zinc/57/34/84/991573484.db2.gz CUFQMPFMDJNYLG-UHFFFAOYSA-N -1 3 405.451 3.528 20 0 HHADHM COC(=O)c1cc(C)nc2nc(SC[C@H]3CCC4(CCCCC4)O3)[n-]c(=O)c12 ZINC000466454339 991745033 /nfs/dbraw/zinc/74/50/33/991745033.db2.gz IXSJUTGZSRYTGL-CYBMUJFWSA-N -1 3 403.504 3.799 20 0 HHADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cc(Br)c(F)cc2F)cc1 ZINC000466482258 991773629 /nfs/dbraw/zinc/77/36/29/991773629.db2.gz QUCKNVJVDDGBMV-UHFFFAOYSA-N -1 3 420.231 3.705 20 0 HHADHM CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)[N-]Cc2c(C)oc3ccccc32)c1 ZINC000466566654 991881393 /nfs/dbraw/zinc/88/13/93/991881393.db2.gz LLHWHSYPFPKNKK-UHFFFAOYSA-N -1 3 421.446 3.544 20 0 HHADHM CO[C@H](C[N-]S(=O)(=O)c1csc(-c2cccc(Br)c2)n1)C(C)C ZINC000466860070 992179891 /nfs/dbraw/zinc/17/98/91/992179891.db2.gz WIBSBBCPTKCMFF-CYBMUJFWSA-N -1 3 419.366 3.522 20 0 HHADHM O=S(=O)([N-]c1ccc(Cl)cc1F)c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC000466968030 992279129 /nfs/dbraw/zinc/27/91/29/992279129.db2.gz VGUDCWMAQTWVTO-LLVKDONJSA-N -1 3 403.834 3.834 20 0 HHADHM O=S(=O)([N-]c1ccc(Cl)cc1F)c1ccc(OC[C@H]2CCOC2)c(F)c1 ZINC000466968031 992279281 /nfs/dbraw/zinc/27/92/81/992279281.db2.gz VGUDCWMAQTWVTO-NSHDSACASA-N -1 3 403.834 3.834 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OC[C@H]3CCOC3)c(F)c2)c(C)c1 ZINC000466971540 992283220 /nfs/dbraw/zinc/28/32/20/992283220.db2.gz SDUYILVYQQCYMJ-HNNXBMFYSA-N -1 3 409.479 3.749 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cncc(-c3ccccc3)c2)cc1OC ZINC000466992860 992302834 /nfs/dbraw/zinc/30/28/34/992302834.db2.gz ZQVXBSFZCYCXHN-UHFFFAOYSA-N -1 3 411.483 3.771 20 0 HHADHM CCn1c2ccc(S(=O)(=O)[N-]c3ccc4nc(C(C)(C)C)[nH]c4c3)cc2oc1=O ZINC000467034388 992343224 /nfs/dbraw/zinc/34/32/24/992343224.db2.gz OTCAHVAFGZJKJA-UHFFFAOYSA-N -1 3 414.487 3.589 20 0 HHADHM Cn1c2ccccc2nc1-c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)c1 ZINC000467087479 992392733 /nfs/dbraw/zinc/39/27/33/992392733.db2.gz YNLMWIBRVRIQLX-UHFFFAOYSA-N -1 3 405.479 3.976 20 0 HHADHM O=S(=O)([N-][C@H]1CCN(c2ncccc2Cl)C1)c1cc(Cl)ccc1Cl ZINC000467121299 992435409 /nfs/dbraw/zinc/43/54/09/992435409.db2.gz WLKSFHWPXIROJB-NSHDSACASA-N -1 3 406.722 3.599 20 0 HHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CCCC[C@H](CCOC)C3)nc(=O)c2c1C ZINC000467271455 992592582 /nfs/dbraw/zinc/59/25/82/992592582.db2.gz OBCSNFHDHONRGH-HUUCEWRRSA-N -1 3 421.563 3.669 20 0 HHADHM O=c1[nH]c2cc(Br)c(S(=O)(=O)[N-]c3ccc(F)cc3Cl)cc2[nH]1 ZINC000467330503 992652631 /nfs/dbraw/zinc/65/26/31/992652631.db2.gz PLGSYLIPNLPRDB-UHFFFAOYSA-N -1 3 420.647 3.624 20 0 HHADHM Cc1cc(N2CCCC[C@H]2C)ccc1[N-]S(=O)(=O)c1cccc(C(=O)N(C)C)c1 ZINC000467429095 992728614 /nfs/dbraw/zinc/72/86/14/992728614.db2.gz VDQXVVLMVQXQRD-QGZVFWFLSA-N -1 3 415.559 3.876 20 0 HHADHM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(N3CCCC[C@H]3C)cc2C)c1 ZINC000467431212 992730354 /nfs/dbraw/zinc/73/03/54/992730354.db2.gz WCMCJNAQTPGAJQ-MRXNPFEDSA-N -1 3 402.516 3.961 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)CCCSC)ccc2C)cc1 ZINC000467792452 993027509 /nfs/dbraw/zinc/02/75/09/993027509.db2.gz GDICBDDRFJESBO-UHFFFAOYSA-N -1 3 422.572 3.630 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)N3CC[C@]4(C3)OCc3ccccc34)cc2)cc(=O)[n-]1 ZINC000472131839 993184593 /nfs/dbraw/zinc/18/45/93/993184593.db2.gz DLEKNAIBLJQIHI-HSZRJFAPSA-N -1 3 402.454 3.821 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@H](OC)C(C)C)ccc2C)cc1 ZINC000472243374 993271391 /nfs/dbraw/zinc/27/13/91/993271391.db2.gz RSUJYUMOPZKYDJ-HXUWFJFHSA-N -1 3 420.531 3.804 20 0 HHADHM O=C(NC[C@@H]1CCCCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1)c1ccccc1 ZINC000472286076 993303382 /nfs/dbraw/zinc/30/33/82/993303382.db2.gz ZCKLURVRUOPXPW-KRWDZBQOSA-N -1 3 416.481 3.866 20 0 HHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C1CCN(c2ccc(C)cn2)CC1 ZINC000472337552 993345126 /nfs/dbraw/zinc/34/51/26/993345126.db2.gz JLNOWURFXVTMJN-UHFFFAOYSA-N -1 3 403.479 3.531 20 0 HHADHM COc1ccc(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)c(OCC2CC2)c1 ZINC000472455486 993458424 /nfs/dbraw/zinc/45/84/24/993458424.db2.gz QOUXLPKPXRHYBB-UHFFFAOYSA-N -1 3 405.454 3.795 20 0 HHADHM COC(=O)[C@@H](NC(=O)c1cc([O-])c2ccccc2c1)c1ccc(OC(F)F)cc1 ZINC000472469650 993472487 /nfs/dbraw/zinc/47/24/87/993472487.db2.gz KONLLAKBSUNSRF-SFHVURJKSA-N -1 3 401.365 3.791 20 0 HHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H](C)C(=O)N1Cc2ccccc2C1 ZINC000480980362 993821124 /nfs/dbraw/zinc/82/11/24/993821124.db2.gz AQUBUZASMJAJME-CYBMUJFWSA-N -1 3 418.902 3.604 20 0 HHADHM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C(C)C)cc1)c1ccc(OC)c(Cl)c1 ZINC000472929869 993857410 /nfs/dbraw/zinc/85/74/10/993857410.db2.gz ITOIONMSMIRDIU-GOSISDBHSA-N -1 3 411.907 3.665 20 0 HHADHM Cc1nc(C)c(CC(=O)N2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)c(=O)[n-]1 ZINC000472955682 993888010 /nfs/dbraw/zinc/88/80/10/993888010.db2.gz DMBRYKCDQXLGPO-UHFFFAOYSA-N -1 3 424.328 3.856 20 0 HHADHM Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000481099976 993937404 /nfs/dbraw/zinc/93/74/04/993937404.db2.gz CUMPLZWFHJUVLG-UHFFFAOYSA-N -1 3 410.477 3.833 20 0 HHADHM COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000473075067 993993085 /nfs/dbraw/zinc/99/30/85/993993085.db2.gz FTGFDZHVOWJGJB-DZGCQCFKSA-N -1 3 406.276 3.592 20 0 HHADHM CC(C)(C)NS(=O)(=O)c1ccccc1[N-]C(=O)c1c(F)c(F)cc(F)c1F ZINC000481186237 994018513 /nfs/dbraw/zinc/01/85/13/994018513.db2.gz XHBJRDZRILIRMZ-UHFFFAOYSA-N -1 3 404.385 3.572 20 0 HHADHM COc1cc(C(=O)N[C@H](CC(=O)OC(C)C)c2ccc(C)cc2)cc(OC)c1[O-] ZINC000481199642 994033679 /nfs/dbraw/zinc/03/36/79/994033679.db2.gz OCXWNEBFWFMQSR-QGZVFWFLSA-N -1 3 401.459 3.531 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)NCC1(C(F)F)CC1 ZINC000473288820 994138979 /nfs/dbraw/zinc/13/89/79/994138979.db2.gz VFMAZLNZPNUVPC-UHFFFAOYSA-N -1 3 412.433 3.710 20 0 HHADHM COc1c(=O)[n-]c(=O)[nH]c1C(=O)Nc1ccc(N[C@H](C)c2ccccc2)c(Cl)c1 ZINC000473305342 994163680 /nfs/dbraw/zinc/16/36/80/994163680.db2.gz KMSWJRSMQILWAI-LLVKDONJSA-N -1 3 414.849 3.975 20 0 HHADHM COc1ccc(-c2nc(S[C@@H](C)c3nc(C)cc(=O)[n-]3)n[nH]2)cc1Br ZINC000473515100 994368779 /nfs/dbraw/zinc/36/87/79/994368779.db2.gz VMXDPXJRTWDVAG-VIFPVBQESA-N -1 3 422.308 3.900 20 0 HHADHM Cc1nc(CNC(=O)CCc2c(C)nc(C)[n-]c2=O)oc1-c1ccc(Cl)cc1 ZINC000473595184 994474317 /nfs/dbraw/zinc/47/43/17/994474317.db2.gz WPGBEIDXLSHTQD-UHFFFAOYSA-N 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ZINC000481794782 994642779 /nfs/dbraw/zinc/64/27/79/994642779.db2.gz LGPMSXPLMCEMKL-IRLDBZIGSA-N -1 3 416.543 3.794 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)[C@@H]3C[C@@]3(C)C(C)C)c2)cc1 ZINC000481794784 994642974 /nfs/dbraw/zinc/64/29/74/994642974.db2.gz LGPMSXPLMCEMKL-UNMCSNQZSA-N -1 3 416.543 3.794 20 0 HHADHM CCOC(=O)c1oc2ccc(S(=O)(=O)[N-]c3ccc4nc(C)cn4c3)cc2c1C ZINC000473754974 994664135 /nfs/dbraw/zinc/66/41/35/994664135.db2.gz BIDDPSRNLNSJBS-UHFFFAOYSA-N -1 3 413.455 3.675 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cc(C)oc2C(F)(F)F)cc1OC ZINC000473758293 994669538 /nfs/dbraw/zinc/66/95/38/994669538.db2.gz NODGQZOPFGZAMP-UHFFFAOYSA-N -1 3 406.382 3.629 20 0 HHADHM CN(C)Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)cc1Cl ZINC000481860875 994720694 /nfs/dbraw/zinc/72/06/94/994720694.db2.gz IOZVKNUQOZEQRC-UHFFFAOYSA-N -1 3 404.866 3.846 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC[C@@H]2CCC3(CCCCC3)O2)c1 ZINC000481891744 994761504 /nfs/dbraw/zinc/76/15/04/994761504.db2.gz 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Cc1cc(S(=O)(=O)[N-]CCc2nc(-c3ccc(Cl)cc3)no2)sc1Cl ZINC000473853384 994790667 /nfs/dbraw/zinc/79/06/67/994790667.db2.gz CYNFVWGIJWPEDD-UHFFFAOYSA-N -1 3 418.327 3.934 20 0 HHADHM Cc1cc(NC(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)ccc1C1CC1 ZINC000481921062 994793197 /nfs/dbraw/zinc/79/31/97/994793197.db2.gz KZMGDNQSJNEMMM-UHFFFAOYSA-N -1 3 413.952 3.687 20 0 HHADHM CCOc1ccc(-c2nc(C(=O)Nc3ccc(Cc4nnn[n-]4)cc3)cs2)cc1 ZINC000473885669 994835379 /nfs/dbraw/zinc/83/53/79/994835379.db2.gz OCTZERFYXUTMPO-UHFFFAOYSA-N -1 3 406.471 3.565 20 0 HHADHM CCOc1ccc(-c2nc(C(=O)Nc3ccc(Cc4nn[n-]n4)cc3)cs2)cc1 ZINC000473885669 994835385 /nfs/dbraw/zinc/83/53/85/994835385.db2.gz OCTZERFYXUTMPO-UHFFFAOYSA-N -1 3 406.471 3.565 20 0 HHADHM O=C(Nc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1ccc(-c2nnc[nH]2)cc1 ZINC000473888747 994839265 /nfs/dbraw/zinc/83/92/65/994839265.db2.gz YLRICZQCHXTXEO-UHFFFAOYSA-N -1 3 419.466 3.525 20 0 HHADHM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(Oc4ccccc4C(N)=O)cc3)ccc2O1 ZINC000481960159 994846239 /nfs/dbraw/zinc/84/62/39/994846239.db2.gz CLPFRMSZLPBVBP-AWEZNQCLSA-N -1 3 424.478 3.702 20 0 HHADHM Cc1cc(S(=O)(=O)[N-][C@H](c2nc(-c3cccnc3)no2)C(C)C)sc1Cl ZINC000473916567 994884006 /nfs/dbraw/zinc/88/40/06/994884006.db2.gz SOUUOHPKWGNWPK-ZDUSSCGKSA-N -1 3 412.924 3.831 20 0 HHADHM CC(C)c1noc2nc(C3CC3)cc(C(=O)Nc3ccc(Cc4nnn[n-]4)cc3)c21 ZINC000473928454 994900002 /nfs/dbraw/zinc/90/00/02/994900002.db2.gz OTTQMOZRECNQKL-UHFFFAOYSA-N -1 3 403.446 3.580 20 0 HHADHM CC(C)c1noc2nc(C3CC3)cc(C(=O)Nc3ccc(Cc4nn[n-]n4)cc3)c21 ZINC000473928454 994900012 /nfs/dbraw/zinc/90/00/12/994900012.db2.gz OTTQMOZRECNQKL-UHFFFAOYSA-N -1 3 403.446 3.580 20 0 HHADHM CCS[C@@H](C)c1noc(CN(C)c2ccc(-c3nc(CC)cc(=O)[n-]3)cn2)n1 ZINC000482097480 995041421 /nfs/dbraw/zinc/04/14/21/995041421.db2.gz SWUNHJHWPFMXPN-LBPRGKRZSA-N -1 3 400.508 3.640 20 0 HHADHM O=C(Nc1ccccc1)[C@H]([N-]S(=O)(=O)c1ccc2ncccc2c1)c1ccccc1 ZINC000474064706 995052513 /nfs/dbraw/zinc/05/25/13/995052513.db2.gz KADSIQGCGJSTIE-JOCHJYFZSA-N -1 3 417.490 3.893 20 0 HHADHM Cc1nc(C2([N-]S(=O)(=O)c3cc(C(F)(F)F)ccc3C)CCCCC2)no1 ZINC000474066334 995053300 /nfs/dbraw/zinc/05/33/00/995053300.db2.gz OEDXWJAGLNXICX-UHFFFAOYSA-N -1 3 403.426 3.843 20 0 HHADHM CC[C@H](C)[C@@H](OC)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000474099704 995080316 /nfs/dbraw/zinc/08/03/16/995080316.db2.gz ZIPHSKMAXAEOLU-VBKZILBWSA-N -1 3 420.531 3.804 20 0 HHADHM CCOC(=O)c1coc(CN2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c1 ZINC000474145065 995124354 /nfs/dbraw/zinc/12/43/54/995124354.db2.gz GAYALAHDTBBEHK-UHFFFAOYSA-N -1 3 406.866 3.666 20 0 HHADHM COC(=O)c1ccc(-c2csc([N-]C(=O)c3cc(-c4ccccn4)no3)n2)cc1 ZINC000474190977 995181871 /nfs/dbraw/zinc/18/18/71/995181871.db2.gz GUSHGIKRCKWDHR-UHFFFAOYSA-N -1 3 406.423 3.899 20 0 HHADHM O=C(Cc1cccc(OCc2ccccc2Cl)c1)NCc1nc(C(F)(F)F)n[n-]1 ZINC000482208457 995191697 /nfs/dbraw/zinc/19/16/97/995191697.db2.gz JGELUEVXMSOGPR-UHFFFAOYSA-N -1 3 424.810 3.915 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NC[C@H]1CCCC[C@H]1C(F)(F)F ZINC000482217141 995201664 /nfs/dbraw/zinc/20/16/64/995201664.db2.gz SXGLFOVQPFOKGO-NVXWUHKLSA-N -1 3 422.451 3.558 20 0 HHADHM Cc1nc(CSc2ccc(C(=O)NCc3nc(C(F)(F)F)n[n-]3)cc2)cs1 ZINC000482227377 995211589 /nfs/dbraw/zinc/21/15/89/995211589.db2.gz DJUCXAUXVMUECC-UHFFFAOYSA-N -1 3 413.450 3.811 20 0 HHADHM CCCCOc1c(Cl)cc(C(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1OCC ZINC000482227187 995211678 /nfs/dbraw/zinc/21/16/78/995211678.db2.gz CAAQCSRRABPDJC-UHFFFAOYSA-N -1 3 420.819 3.985 20 0 HHADHM C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000482234494 995217066 /nfs/dbraw/zinc/21/70/66/995217066.db2.gz MTYIMHSWPRLRIH-CZUORRHYSA-N -1 3 407.511 3.899 20 0 HHADHM O=C(CCSc1ccnc2cc(Cl)ccc21)NCc1nc(C(F)(F)F)n[n-]1 ZINC000482234342 995217484 /nfs/dbraw/zinc/21/74/84/995217484.db2.gz LYDMIQUZWVYEMJ-UHFFFAOYSA-N -1 3 415.828 3.824 20 0 HHADHM C[C@H]1CC(C)(C)CC[C@H]1NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000482234496 995217620 /nfs/dbraw/zinc/21/76/20/995217620.db2.gz MTYIMHSWPRLRIH-XJKSGUPXSA-N -1 3 407.511 3.899 20 0 HHADHM O=C(CCCCc1ccc(Br)cc1)NCc1nc(C(F)(F)F)n[n-]1 ZINC000482236990 995219618 /nfs/dbraw/zinc/21/96/18/995219618.db2.gz JBFAARYPHUMHEW-UHFFFAOYSA-N -1 3 405.218 3.615 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)NCc1cccnc1OC1CCCC1 ZINC000482317983 995296496 /nfs/dbraw/zinc/29/64/96/995296496.db2.gz BBDILQIGVGLRAL-UHFFFAOYSA-N -1 3 420.307 3.871 20 0 HHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(NC(=O)N2CCCCCC2)cc1 ZINC000474316508 995301406 /nfs/dbraw/zinc/30/14/06/995301406.db2.gz ZIHUZAYBGDTUFP-UHFFFAOYSA-N -1 3 415.519 3.873 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000482325801 995304523 /nfs/dbraw/zinc/30/45/23/995304523.db2.gz CXQJPARXMWYAGG-SECBINFHSA-N -1 3 401.698 3.580 20 0 HHADHM O=S(=O)([N-]C[C@@H]1CCO[C@H]1c1ccccc1)c1ccc(Br)cc1F ZINC000482345332 995323326 /nfs/dbraw/zinc/32/33/26/995323326.db2.gz ZKHYTVSTNZNNMF-GUYCJALGSA-N -1 3 414.296 3.644 20 0 HHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCO[C@H](C(C)C)C3)c2)cc1 ZINC000482444167 995440353 /nfs/dbraw/zinc/44/03/53/995440353.db2.gz GKSPLRGGPBUHNC-NRFANRHFSA-N -1 3 416.543 3.601 20 0 HHADHM O=C(NCCCCOCc1ccccc1)NCc1ccc([O-])c(Br)c1 ZINC000482473146 995477217 /nfs/dbraw/zinc/47/72/17/995477217.db2.gz COJNMUJUJHWNRU-UHFFFAOYSA-N -1 3 407.308 3.951 20 0 HHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(C(=O)NCC(C)C)c(Cl)c1 ZINC000474540372 995507746 /nfs/dbraw/zinc/50/77/46/995507746.db2.gz NKTLOPAJOOLVAN-UHFFFAOYSA-N -1 3 408.911 3.504 20 0 HHADHM CN(CC(F)(F)F)C(=O)CSCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000482541349 995549247 /nfs/dbraw/zinc/54/92/47/995549247.db2.gz YXNQAHAWOGTNFN-UHFFFAOYSA-N -1 3 417.434 3.911 20 0 HHADHM C[C@H](NC(=O)NCc1ccc([O-])c(Br)c1)[C@H]1Oc2ccccc2[C@H]1C ZINC000482592105 995594203 /nfs/dbraw/zinc/59/42/03/995594203.db2.gz JLWVIDMWZVKLGG-SOZUMNATSA-N -1 3 405.292 3.907 20 0 HHADHM C[C@H](NC(=O)NCc1ccc([O-])c(Br)c1)c1cccc(-n2cccn2)c1 ZINC000482618427 995614392 /nfs/dbraw/zinc/61/43/92/995614392.db2.gz ZRHOWDBAVVBINM-ZDUSSCGKSA-N -1 3 415.291 3.901 20 0 HHADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)CC(c1ccccc1)c1ccccc1 ZINC000474769908 995698924 /nfs/dbraw/zinc/69/89/24/995698924.db2.gz DFECBZYAVLSMTH-UHFFFAOYSA-N -1 3 406.438 3.749 20 0 HHADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)[C@@H](C)Oc1ccc(-c2ccccc2)cc1 ZINC000474773997 995702356 /nfs/dbraw/zinc/70/23/56/995702356.db2.gz ILDZLQAEFIUQOZ-CQSZACIVSA-N -1 3 422.437 3.661 20 0 HHADHM O=S(=O)([N-]c1ccccc1F)c1cccc(-c2nc(Cc3cncs3)no2)c1 ZINC000482761119 995731163 /nfs/dbraw/zinc/73/11/63/995731163.db2.gz RKQFIUORCBLBJK-UHFFFAOYSA-N -1 3 416.459 3.724 20 0 HHADHM CC[C@H](C)n1ncc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)c1C ZINC000482784044 995746585 /nfs/dbraw/zinc/74/65/85/995746585.db2.gz AFDUUBIFFNOPGT-LBPRGKRZSA-N -1 3 419.482 3.683 20 0 HHADHM CCOC1CC(CCNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)C1 ZINC000474916656 995799612 /nfs/dbraw/zinc/79/96/12/995799612.db2.gz PDKPVYDPSXYFGP-UHFFFAOYSA-N -1 3 420.506 3.562 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ncccc3OCC(F)F)c2)n1 ZINC000482908475 995838395 /nfs/dbraw/zinc/83/83/95/995838395.db2.gz QHRMTVASGQGAIJ-UHFFFAOYSA-N -1 3 400.385 3.703 20 0 HHADHM CC(C)c1nn(C)cc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000482918732 995848328 /nfs/dbraw/zinc/84/83/28/995848328.db2.gz JAYFUFXGTYUXHS-UHFFFAOYSA-N -1 3 416.478 3.736 20 0 HHADHM CCNC(=O)c1ccc(NC(=O)NCc2ccc([O-])c(Br)c2)c(C)c1 ZINC000482998239 995910081 /nfs/dbraw/zinc/91/00/81/995910081.db2.gz SBLFMEXTTVMZPV-UHFFFAOYSA-N -1 3 406.280 3.535 20 0 HHADHM CC[C@@H](CSc1ccc(C)c(C)c1)NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483214466 996041735 /nfs/dbraw/zinc/04/17/35/996041735.db2.gz NVTKNRSQUGYKGT-LBPRGKRZSA-N -1 3 401.458 3.810 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000483225507 996047334 /nfs/dbraw/zinc/04/73/34/996047334.db2.gz HZUHHOFXEFSSNF-VXGBXAGGSA-N -1 3 421.345 3.978 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 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998897675 /nfs/dbraw/zinc/89/76/75/998897675.db2.gz USLIEDJPXTVIJN-KRWDZBQOSA-N -1 3 406.504 3.561 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)N(Cc3ccccc3)[C@H](CO)C3CC3)cc2)cc(=O)[n-]1 ZINC000486721077 998908191 /nfs/dbraw/zinc/90/81/91/998908191.db2.gz GYPZBTBNANCEHR-JOCHJYFZSA-N -1 3 418.497 3.963 20 0 HHADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc3c2CN(CC(C)C)C3)ccc1C ZINC000486791512 998941836 /nfs/dbraw/zinc/94/18/36/998941836.db2.gz BFVGTRYBVMNUCZ-UHFFFAOYSA-N -1 3 401.532 3.726 20 0 HHADHM CC(C)c1ccc(S(=O)(=O)[N-]c2cc(-n3nnnc3C3CC3)ccc2F)cc1 ZINC000486795343 998943184 /nfs/dbraw/zinc/94/31/84/998943184.db2.gz KXOSBGQDHKOYLB-UHFFFAOYSA-N -1 3 401.467 3.603 20 0 HHADHM CC(C)c1cccc(S(=O)(=O)[N-]c2cc(-n3nnnc3C3CC3)ccc2F)c1 ZINC000486839139 998966143 /nfs/dbraw/zinc/96/61/43/998966143.db2.gz UMVWGRJZYPYARL-UHFFFAOYSA-N -1 3 401.467 3.603 20 0 HHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cccc(-n2cc(C(F)(F)F)cn2)c1 ZINC000478643296 999062288 /nfs/dbraw/zinc/06/22/88/999062288.db2.gz ANBMFSLCORJHHK-UHFFFAOYSA-N -1 3 409.393 3.669 20 0 HHADHM COC(=O)c1cc(F)cc([N-]S(=O)(=O)c2ccc(Br)cc2C)c1F ZINC000478679023 999084679 /nfs/dbraw/zinc/08/46/79/999084679.db2.gz WCBOXWPKCGVXLN-UHFFFAOYSA-N -1 3 420.231 3.623 20 0 HHADHM CNC(=O)COc1ccc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)c(C)c1 ZINC000478691218 999091040 /nfs/dbraw/zinc/09/10/40/999091040.db2.gz KRGDCZLAUUHVKA-UHFFFAOYSA-N -1 3 416.543 3.968 20 0 HHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)cc1NC(=O)N(C)C ZINC000478699233 999095105 /nfs/dbraw/zinc/09/51/05/999095105.db2.gz DUMHENYWJVLAAO-UHFFFAOYSA-N -1 3 405.520 3.985 20 0 HHADHM COc1cccc(Cc2nnc([N-]C(=O)c3sc([C@@H](C)OC)nc3C)s2)c1 ZINC000487266448 999118282 /nfs/dbraw/zinc/11/82/82/999118282.db2.gz OWAVKHUNIRXGIL-LLVKDONJSA-N -1 3 404.517 3.862 20 0 HHADHM O=C([N-]c1nnc(-c2c(F)cccc2Cl)s1)c1cn(Cc2ccccc2)nn1 ZINC000478767786 999131003 /nfs/dbraw/zinc/13/10/03/999131003.db2.gz GBXXDSBXVKZOLM-UHFFFAOYSA-N -1 3 414.853 3.890 20 0 HHADHM COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2I)c1 ZINC000487385291 999155509 /nfs/dbraw/zinc/15/55/09/999155509.db2.gz CLASSVBWVLUJEI-UHFFFAOYSA-N -1 3 423.659 3.754 20 0 HHADHM Cc1ccc(CN2CCSCC2)cc1[N-]S(=O)(=O)c1ccc2ncsc2c1 ZINC000479078514 999283600 /nfs/dbraw/zinc/28/36/00/999283600.db2.gz JAQOWQXSMQGGAN-UHFFFAOYSA-N -1 3 419.597 3.954 20 0 HHADHM Cc1cc(NC(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)ccc1F ZINC000487948515 999325687 /nfs/dbraw/zinc/32/56/87/999325687.db2.gz NUYOLVRTKKJSRJ-UHFFFAOYSA-N -1 3 405.278 3.748 20 0 HHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3cn4cccnc4n3)cc2)c(C)c1 ZINC000479236576 999338506 /nfs/dbraw/zinc/33/85/06/999338506.db2.gz BGVQVRAPQVTSMX-UHFFFAOYSA-N -1 3 408.483 3.904 20 0 HHADHM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc(NC(=O)c3cccs3)cc1)OCO2 ZINC000479248408 999345353 /nfs/dbraw/zinc/34/53/53/999345353.db2.gz OISDNAPHRXGBFZ-UHFFFAOYSA-N -1 3 416.480 3.838 20 0 HHADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc3sc(C)nc3cc2Cl)cc1F ZINC000479269540 999356806 /nfs/dbraw/zinc/35/68/06/999356806.db2.gz LGYWHFJAELDBQH-UHFFFAOYSA-N -1 3 414.867 3.985 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CN(C)Cc3cscn3)c2)cc1 ZINC000479273484 999358817 /nfs/dbraw/zinc/35/88/17/999358817.db2.gz DJKMDMLHNFQIII-UHFFFAOYSA-N -1 3 403.529 3.585 20 0 HHADHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)Nc2ccc(C3CC3)c(C)c2)CCCC1 ZINC000479299380 999373166 /nfs/dbraw/zinc/37/31/66/999373166.db2.gz IPJZJYISCQUIIE-UHFFFAOYSA-N -1 3 417.531 3.707 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000479359912 999402912 /nfs/dbraw/zinc/40/29/12/999402912.db2.gz CZSLRDQADYRKHQ-DOMZBBRYSA-N -1 3 411.545 3.560 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)Nc1ccc2cn(C(C)C)nc2c1 ZINC000488180151 999404796 /nfs/dbraw/zinc/40/47/96/999404796.db2.gz DCGUXJFJZZEZMK-UHFFFAOYSA-N -1 3 416.485 3.642 20 0 HHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1nc(-c2ccccc2)c(NC(C)=O)s1 ZINC000479364796 999405417 /nfs/dbraw/zinc/40/54/17/999405417.db2.gz WRUJREYZTJIHGZ-UHFFFAOYSA-N -1 3 415.500 3.547 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNc3ncc(Cl)cn3)c2)cc1 ZINC000479461618 999427887 /nfs/dbraw/zinc/42/78/87/999427887.db2.gz CCVNYGJXWLNEPP-UHFFFAOYSA-N -1 3 404.879 3.552 20 0 HHADHM Cc1ccc(-c2nc(NC(=O)c3cccc(S(=O)(=O)Cc4ccccc4)c3)n[n-]2)o1 ZINC000479462501 999428263 /nfs/dbraw/zinc/42/82/63/999428263.db2.gz GYTBMAXDCSNNOG-UHFFFAOYSA-N -1 3 422.466 3.599 20 0 HHADHM Cc1ccc(-c2nc(NC(=O)c3cccc(C)c3I)n[n-]2)o1 ZINC000479470804 999431137 /nfs/dbraw/zinc/43/11/37/999431137.db2.gz MWMMDCUTLGFTHW-UHFFFAOYSA-N -1 3 408.199 3.538 20 0 HHADHM Cc1ccc(-c2nc(NC(=O)CCCOc3ccccc3Br)n[n-]2)o1 ZINC000479474650 999432718 /nfs/dbraw/zinc/43/27/18/999432718.db2.gz KDFLJSDKIDIHBQ-UHFFFAOYSA-N -1 3 405.252 3.933 20 0 HHADHM CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)Nc1n[n-]c(-c3ccc(C)o3)n1)O[C@H](C)C2 ZINC000479477631 999434339 /nfs/dbraw/zinc/43/43/39/999434339.db2.gz SYGNTCWFDHDKEQ-INWMFGNUSA-N -1 3 408.458 3.837 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)NC[C@@](C)(Cc3ccccc3)[C@@H](C)O)cc2)cc(=O)[n-]1 ZINC000479579163 999488179 /nfs/dbraw/zinc/48/81/79/999488179.db2.gz BUGVIMCFUPKXHY-VOIUYBSRSA-N -1 3 420.513 3.909 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(C)nc(C(F)(F)F)n3)c2)n1 ZINC000488644285 999555981 /nfs/dbraw/zinc/55/59/81/999555981.db2.gz DOCMJMURFZGXGM-UHFFFAOYSA-N -1 3 403.364 3.781 20 0 HHADHM C[C@H]1Sc2ccc(C(=O)NCc3ccc([O-])c(Br)c3)cc2NC1=O ZINC000488671178 999566259 /nfs/dbraw/zinc/56/62/59/999566259.db2.gz FSUNYOFXWMPSMN-SECBINFHSA-N -1 3 407.289 3.517 20 0 HHADHM C[C@@H]1Sc2ccc(C(=O)NCc3ccc([O-])c(Br)c3)cc2NC1=O ZINC000488671180 999566477 /nfs/dbraw/zinc/56/64/77/999566477.db2.gz FSUNYOFXWMPSMN-VIFPVBQESA-N -1 3 407.289 3.517 20 0 HHADHM O=C(Cc1ccc(OC(F)(F)F)cc1)NCc1ccc([O-])c(Br)c1 ZINC000488678253 999569233 /nfs/dbraw/zinc/56/92/33/999569233.db2.gz NXQRIRYPUZRXPK-UHFFFAOYSA-N -1 3 404.182 3.912 20 0 HHADHM CC[C@H](Cc1ccccc1Br)N(C)C(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000479763645 999579150 /nfs/dbraw/zinc/57/91/50/999579150.db2.gz CDKNRCXMSHTISC-MRXNPFEDSA-N -1 3 420.351 3.974 20 0 HHADHM CCN(CC)C(=O)C1([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CCCCC1 ZINC000488915048 999645783 /nfs/dbraw/zinc/64/57/83/999645783.db2.gz HCKJIMSDYZCBJB-UHFFFAOYSA-N -1 3 424.460 3.694 20 0 HHADHM COc1ccccc1Oc1ccc(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000479932166 999653468 /nfs/dbraw/zinc/65/34/68/999653468.db2.gz QYKVWMXRIOWGLL-UHFFFAOYSA-N -1 3 407.352 3.946 20 0 HHADHM O=C(N[C@H]1CCCC(F)(F)C1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000488952463 999655994 /nfs/dbraw/zinc/65/59/94/999655994.db2.gz LFODQMFBEVONMD-AWEZNQCLSA-N -1 3 412.433 3.934 20 0 HHADHM COc1ccc([C@@H](C)Nc2cc(=N[C@@H](C)c3ccc(OC)cc3)nc3nc[n-]n32)cc1 ZINC000479955017 999662025 /nfs/dbraw/zinc/66/20/25/999662025.db2.gz HLKCWXVALWWHOF-JKSUJKDBSA-N -1 3 418.501 3.910 20 0 HHADHM O=S(=O)([N-]CC1(c2ccc(F)cc2)CCOCC1)c1cc(F)ccc1Cl ZINC000488980617 999663318 /nfs/dbraw/zinc/66/33/18/999663318.db2.gz ZOJNSMQYZLBWOV-UHFFFAOYSA-N -1 3 401.862 3.645 20 0 HHADHM O=S(=O)([N-]CCc1ccc(-n2cccn2)cc1)c1ccc(F)cc1C(F)(F)F ZINC000488980534 999663343 /nfs/dbraw/zinc/66/33/43/999663343.db2.gz YUFAGXNOVKGGTQ-UHFFFAOYSA-N -1 3 413.396 3.551 20 0 HHADHM O=S(=O)([N-]Cc1ccc(OCc2ccccn2)cc1)c1cc(F)ccc1Cl ZINC000489000113 999668511 /nfs/dbraw/zinc/66/85/11/999668511.db2.gz IKYUKTGVLRBLIJ-UHFFFAOYSA-N -1 3 406.866 3.932 20 0 HHADHM CSc1ccc(S(=O)(=O)[N-]c2cc3c(cc2F)NC(=O)CC3)cc1Cl ZINC000489040908 999679914 /nfs/dbraw/zinc/67/99/14/999679914.db2.gz MPNHJABYZMLQRG-UHFFFAOYSA-N -1 3 400.884 3.887 20 0 HHADHM CCN1CCN(c2ccccc2[N-]S(=O)(=O)c2ccc3nc(C)sc3c2)CC1 ZINC000489089859 999696065 /nfs/dbraw/zinc/69/60/65/999696065.db2.gz RYKBOFTWYXLAQJ-UHFFFAOYSA-N -1 3 416.572 3.547 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)[C@H]3CCC(F)(F)C3)c2)cc1 ZINC000480058668 999704881 /nfs/dbraw/zinc/70/48/81/999704881.db2.gz KMCZJRKQEWEHBN-HNNXBMFYSA-N -1 3 424.469 3.548 20 0 HHADHM CC(C)c1nc(CC[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)cs1 ZINC000489214037 999723793 /nfs/dbraw/zinc/72/37/93/999723793.db2.gz DLSWPPFRFBHNTM-UHFFFAOYSA-N -1 3 412.430 3.825 20 0 HHADHM CC[C@@H](C)n1ncc(C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)c1C ZINC000480169212 999735770 /nfs/dbraw/zinc/73/57/70/999735770.db2.gz WLZZKHLCXOMKBE-SNVBAGLBSA-N -1 3 418.441 3.805 20 0 HHADHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)Nc2ccnc(N(C)C)c2)c1 ZINC000480191122 999740847 /nfs/dbraw/zinc/74/08/47/999740847.db2.gz CQLLMJRAFGEFEZ-UHFFFAOYSA-N -1 3 424.526 3.818 20 0 HHADHM Cc1nc(C)c(CCC(=O)NCc2ccccc2COCc2ccccc2)c(=O)[n-]1 ZINC000480383021 999785624 /nfs/dbraw/zinc/78/56/24/999785624.db2.gz WSTPMOCROQDESO-UHFFFAOYSA-N -1 3 405.498 3.765 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(N(C)Cc3nccn3Cc3ccccc3)nc2)n1 ZINC000489633883 999806994 /nfs/dbraw/zinc/80/69/94/999806994.db2.gz CCTNPUVZKAAWDW-UHFFFAOYSA-N -1 3 400.486 3.688 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1ccccc1N1CCc2ccccc21 ZINC000480477006 999808078 /nfs/dbraw/zinc/80/80/78/999808078.db2.gz ZBDVTGGFOLIHQW-UHFFFAOYSA-N -1 3 402.380 3.839 20 0 HHADHM C[C@@H](NC(=O)NCc1ccc([O-])c(Br)c1)[C@@H]1OCCc2sccc21 ZINC000489788051 999838352 /nfs/dbraw/zinc/83/83/52/999838352.db2.gz GFXITLFVRWXMMR-HWPZZCPQSA-N -1 3 411.321 3.718 20 0 HHADHM COc1cc(C(=O)NC[C@H](c2ccc(OC(C)C)cc2)N(C)C)cc(Cl)c1[O-] ZINC000489946421 999867538 /nfs/dbraw/zinc/86/75/38/999867538.db2.gz LURSSNOXAFZHFD-GOSISDBHSA-N -1 3 406.910 3.874 20 0 HHADHM CC(C)[C@H]([N-]S(=O)(=O)c1cccc(Br)c1Cl)C1(CO)CCC1 ZINC000490132081 999897973 /nfs/dbraw/zinc/89/79/73/999897973.db2.gz FEQYNNOMDVUOQY-AWEZNQCLSA-N -1 3 410.761 3.568 20 0 HHADHM COc1cc(C(=O)N2CCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)cc(OC)c1[O-] ZINC000490175337 999905098 /nfs/dbraw/zinc/90/50/98/999905098.db2.gz ZGEHTDIFLISYMM-OAHLLOKOSA-N -1 3 401.850 3.916 20 0 HHADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@H]2CCCc3sc(Cl)cc32)s1 ZINC000490411017 999953418 /nfs/dbraw/zinc/95/34/18/999953418.db2.gz CYCGKCBKXRMYQB-VIFPVBQESA-N -1 3 421.949 3.614 20 0 HHADHM Cc1nc(S(=O)(=O)[C@H](C)C(=O)Nc2cc(Cl)ccc2F)[n-]c1-c1ccccc1 ZINC000490434102 999957283 /nfs/dbraw/zinc/95/72/83/999957283.db2.gz FKMSWTCTIMMFAY-GFCCVEGCSA-N -1 3 421.881 3.979 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]Cc1ccc(-c2ccccc2)cc1F ZINC000490457284 999960673 /nfs/dbraw/zinc/96/06/73/999960673.db2.gz XLIZRBPHCOPJGB-UHFFFAOYSA-N -1 3 417.433 3.897 20 0 HHADHM Cc1nc(S(=O)(=O)CC(=O)Nc2cc(Cl)ccc2F)[n-]c1-c1ccccc1 ZINC000490462582 999961502 /nfs/dbraw/zinc/96/15/02/999961502.db2.gz DERLUOWQCSEBAM-UHFFFAOYSA-N -1 3 407.854 3.590 20 0 HHADHM Cc1[n-]c(S(=O)(=O)CC(=O)Nc2cc(Cl)ccc2F)nc1-c1ccccc1 ZINC000490462582 999961504 /nfs/dbraw/zinc/96/15/04/999961504.db2.gz DERLUOWQCSEBAM-UHFFFAOYSA-N -1 3 407.854 3.590 20 0 HHADHM Cc1nc(S(=O)(=O)CC(=O)N[C@@H](C)c2ccc(Cl)cc2)[n-]c1-c1ccccc1 ZINC000490464377 999961912 /nfs/dbraw/zinc/96/19/12/999961912.db2.gz OFHPODRJEVJKSC-ZDUSSCGKSA-N -1 3 417.918 3.690 20 0 HHADHM Cc1[n-]c(S(=O)(=O)CC(=O)N[C@@H](C)c2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000490464377 999961913 /nfs/dbraw/zinc/96/19/13/999961913.db2.gz OFHPODRJEVJKSC-ZDUSSCGKSA-N -1 3 417.918 3.690 20 0 HHADHM CCOC(=O)C(CC)(CC)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000490529021 999972880 /nfs/dbraw/zinc/97/28/80/999972880.db2.gz 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O=S(=O)([N-]Cc1nc2cc(Cl)ccc2[nH]1)c1ccc(Br)s1 ZINC000586942519 1073881506 /nfs/dbraw/zinc/88/15/06/1073881506.db2.gz LXGIJSDXEOVZQN-UHFFFAOYSA-N -1 3 406.714 3.519 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCC[C@H]3C3CC3)c2)cc1 ZINC000590720466 1073992966 /nfs/dbraw/zinc/99/29/66/1073992966.db2.gz YHQUJYIPIOSAKP-NRFANRHFSA-N -1 3 414.527 3.819 20 0 HHADHM O=S(=O)([N-][C@@H]1CCc2nc(-c3ccccc3)ncc2C1)c1cc(F)ccc1Cl ZINC000590793722 1074006176 /nfs/dbraw/zinc/00/61/76/1074006176.db2.gz GDGDEDTXGSKPKB-MRXNPFEDSA-N -1 3 417.893 3.772 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@H]1CCC[C@@H]1c1ccccc1 ZINC000600609100 1074037155 /nfs/dbraw/zinc/03/71/55/1074037155.db2.gz LEYUGXHWPRNGSG-RTWAWAEBSA-N -1 3 402.498 3.525 20 0 HHADHM CC(C)(C)OCCCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000785417438 1074071770 /nfs/dbraw/zinc/07/17/70/1074071770.db2.gz OBEDVZOBFRSONT-UHFFFAOYSA-N -1 3 409.479 3.989 20 0 HHADHM O=C([N-]c1ncn(Cc2ccc(Cl)cc2)n1)c1cc(Br)cnc1F ZINC001126928523 1074087930 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413.363 3.632 20 0 HHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000591177454 1074143976 /nfs/dbraw/zinc/14/39/76/1074143976.db2.gz BFHDBBJPXGCLNT-UHFFFAOYSA-N -1 3 407.437 3.972 20 0 HHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000591177454 1074143980 /nfs/dbraw/zinc/14/39/80/1074143980.db2.gz BFHDBBJPXGCLNT-UHFFFAOYSA-N -1 3 407.437 3.972 20 0 HHADHM Cc1cc(-c2cc(C(=O)Nc3cccc(-c4nnn[n-]4)c3)c3c(C)noc3n2)c(C)o1 ZINC000668326451 1074162694 /nfs/dbraw/zinc/16/26/94/1074162694.db2.gz HXBYBZGSUIPHNQ-UHFFFAOYSA-N -1 3 415.413 3.840 20 0 HHADHM Cc1cc(-c2cc(C(=O)Nc3cccc(-c4nn[n-]n4)c3)c3c(C)noc3n2)c(C)o1 ZINC000668326451 1074162697 /nfs/dbraw/zinc/16/26/97/1074162697.db2.gz HXBYBZGSUIPHNQ-UHFFFAOYSA-N -1 3 415.413 3.840 20 0 HHADHM Cc1nc2ccccc2nc1COC(=O)c1ccc(I)c([O-])c1 ZINC000760818311 1074212909 /nfs/dbraw/zinc/21/29/09/1074212909.db2.gz PQZKTPJARGDGQN-UHFFFAOYSA-N -1 3 420.206 3.605 20 0 HHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C2(c3ccc(F)cc3)CCC2)cc1Cl ZINC000591389256 1074263072 /nfs/dbraw/zinc/26/30/72/1074263072.db2.gz FALRQMASALNGJK-UHFFFAOYSA-N -1 3 414.861 3.934 20 0 HHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)CCOc1ccc(F)cc1 ZINC000591367087 1074268015 /nfs/dbraw/zinc/26/80/15/1074268015.db2.gz AZLBMOCKYBMFHF-UHFFFAOYSA-N -1 3 420.384 3.624 20 0 HHADHM Cc1cc(Cl)ccc1Cc1cnc(NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)s1 ZINC000591435953 1074314864 /nfs/dbraw/zinc/31/48/64/1074314864.db2.gz WCHUCNFGSQMGGG-UHFFFAOYSA-N -1 3 411.870 3.832 20 0 HHADHM COc1ccc(CN[C@]2(C(=O)[O-])CCc3c2cccc3F)cc1OCc1cccnc1 ZINC000573391932 1074395643 /nfs/dbraw/zinc/39/56/43/1074395643.db2.gz QZJSSBZANJWUJC-XMMPIXPASA-N -1 3 422.456 3.824 20 0 HHADHM O=C(NC1(C2CC2)CC1)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1Cl ZINC000760851764 1074452757 /nfs/dbraw/zinc/45/27/57/1074452757.db2.gz LFSFBKSBEVWROY-UHFFFAOYSA-N -1 3 408.882 3.952 20 0 HHADHM COc1cccc(C2=N/C(=C/c3ccc(OC)c([O-])c3Br)C(=O)O2)c1 ZINC000761014310 1075181402 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PQGDAPABSRFPLS-UHFFFAOYSA-N -1 3 407.463 3.518 20 0 HHADHM COc1c(Br)cc(Br)cc1CN[C@@H](CC(C)C)C(=O)[O-] ZINC000043433641 521777909 /nfs/dbraw/zinc/77/79/09/521777909.db2.gz YAQCCTQWQVBJDG-LBPRGKRZSA-N -1 3 409.118 3.809 20 0 HHADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)N1CCO[C@@H]2[C@@H](OCC3CCCC3)CC[C@@H]21 ZINC001164661638 719343539 /nfs/dbraw/zinc/34/35/39/719343539.db2.gz MADOWZIAJFPOAM-XEZPLFJOSA-N -1 3 419.925 3.907 20 0 HHADHM Cc1cccc(OCCCCC(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c1 ZINC001123371852 939821664 /nfs/dbraw/zinc/82/16/64/939821664.db2.gz CVVSIOVDFFKLLU-RUZDIDTESA-N -1 3 424.541 3.780 20 0 HHADHM O=C(NCCNc1ccc2cc(Br)c(F)cc2n1)c1ccc([O-])cc1 ZINC000301553386 970976861 /nfs/dbraw/zinc/97/68/61/970976861.db2.gz YXHBPWQFYCZNBK-UHFFFAOYSA-N -1 3 404.239 3.684 20 0 HHADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N(Cc1ccco1)Cc1ccccc1 ZINC000303154702 971530982 /nfs/dbraw/zinc/53/09/82/971530982.db2.gz WISMUJJSWUNQJF-UHFFFAOYSA-N -1 3 424.931 3.502 20 0 HHADHM O=S(=O)([N-]CCc1ccc(F)c(Br)c1)c1cc(F)ccc1Cl ZINC000303177359 971544130 /nfs/dbraw/zinc/54/41/30/971544130.db2.gz JSRHTNUCECNWTP-UHFFFAOYSA-N -1 3 410.667 3.902 20 0 HHADHM CC[C@@H](C)N(Cc1ccccc1)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000303422253 971702141 /nfs/dbraw/zinc/70/21/41/971702141.db2.gz YTRWPUMETJBVNC-CYBMUJFWSA-N -1 3 400.953 3.507 20 0 HHADHM CC(C)[C@H](c1ccccc1)N(C)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000303494551 971792434 /nfs/dbraw/zinc/79/24/34/971792434.db2.gz LIJVVTAHSDUNJF-QGZVFWFLSA-N -1 3 400.953 3.536 20 0 HHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccccc3NC(=O)N3CCCC3)c[n-]c12 ZINC000553155334 1013115512 /nfs/dbraw/zinc/11/55/12/1013115512.db2.gz DTQPZOYONRCEAZ-UHFFFAOYSA-N -1 3 408.433 3.856 20 0 HHADHM Cc1cc(C(=O)COC(=O)c2ccc([O-])cc2)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000003542967 960541320 /nfs/dbraw/zinc/54/13/20/960541320.db2.gz KKXYOUPTHMBVFV-UHFFFAOYSA-N -1 3 407.422 3.627 20 0 HHADHM C[C@@H](Oc1ccc2ccccc2c1)C(=O)N[N-]C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000006277573 960877276 /nfs/dbraw/zinc/87/72/76/960877276.db2.gz WIXBPKIFRGKFSM-GFCCVEGCSA-N -1 3 413.817 3.630 20 0 HHADHM O=C(NCCc1ccc(F)cc1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000006435197 960904317 /nfs/dbraw/zinc/90/43/17/960904317.db2.gz ZHXPGFNUZCOZIK-UHFFFAOYSA-N -1 3 416.449 3.738 20 0 HHADHM CCN1CCN(c2ccccc2[N-]S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000007109275 961020404 /nfs/dbraw/zinc/02/04/04/961020404.db2.gz VMSSVLCATDAGNA-UHFFFAOYSA-N -1 3 413.465 3.648 20 0 HHADHM COC(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(Br)cc1Cl ZINC000007381903 961155543 /nfs/dbraw/zinc/15/55/43/961155543.db2.gz YLGMJCMVYBMHFN-UHFFFAOYSA-N -1 3 404.669 3.690 20 0 HHADHM CCc1ccc(-c2nc(C(=O)OCC(=O)[N-]C(=O)c3cccs3)cs2)cc1 ZINC000007722492 961298425 /nfs/dbraw/zinc/29/84/25/961298425.db2.gz OKXYZMJUOPFQDP-UHFFFAOYSA-N -1 3 400.481 3.547 20 0 HHADHM CC[C@@](C)([N-]S(=O)(=O)c1cccc(Br)c1F)c1nc(C)cs1 ZINC000542316438 1013272988 /nfs/dbraw/zinc/27/29/88/1013272988.db2.gz QLZMSFGGWPCPEV-CQSZACIVSA-N -1 3 407.330 3.957 20 0 HHADHM C[C@H]1CCCC[C@H]1NC(=O)NC(=O)CSc1nnc([N-]c2ccccc2F)s1 ZINC000010078204 961738069 /nfs/dbraw/zinc/73/80/69/961738069.db2.gz KWQSDNBTXWLQDL-WCQYABFASA-N -1 3 423.539 3.917 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCc3[nH]c4ccccc4c3C2)c1 ZINC000537726357 1013287490 /nfs/dbraw/zinc/28/74/90/1013287490.db2.gz JCYSTLMCKYVUKD-UHFFFAOYSA-N -1 3 416.437 3.621 20 0 HHADHM Cc1n[nH]c(C(F)F)c1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000537733522 1013294503 /nfs/dbraw/zinc/29/45/03/1013294503.db2.gz KBOOURBHBZFPGE-UHFFFAOYSA-N -1 3 406.414 3.709 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@H]3CCO[C@@H]3C)ccc2C)cc1 ZINC000537756260 1013318680 /nfs/dbraw/zinc/31/86/80/1013318680.db2.gz WLYXKHMDTPTBFL-BEFAXECRSA-N -1 3 418.515 3.558 20 0 HHADHM O=C(COC(=O)c1cc(Cl)c(Cl)[n-]1)Nc1ccccc1C(=O)NC1CCCC1 ZINC000011810083 962194124 /nfs/dbraw/zinc/19/41/24/962194124.db2.gz CZXUGIGZZRVYJE-UHFFFAOYSA-N -1 3 424.284 3.789 20 0 HHADHM CS(=O)(=O)[N-]c1ccc(C(=O)OCC(=O)Nc2ccc(-c3ccccc3)cc2)cc1 ZINC000012990156 962359483 /nfs/dbraw/zinc/35/94/83/962359483.db2.gz FAKZHKSVUBHNEK-UHFFFAOYSA-N -1 3 424.478 3.521 20 0 HHADHM CS(=O)(=O)[N-]c1ccc(C(=O)OCc2ccc(C(=O)Nc3ccccc3)cc2)cc1 ZINC000013046331 962361573 /nfs/dbraw/zinc/36/15/73/962361573.db2.gz NDCJVYAZYYHDAD-UHFFFAOYSA-N -1 3 424.478 3.667 20 0 HHADHM CC(C)[C@@H](C[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)c1cccnc1 ZINC000553425908 1013344333 /nfs/dbraw/zinc/34/43/33/1013344333.db2.gz GSYSXQLICWURNI-CYBMUJFWSA-N -1 3 406.401 3.837 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)NC[C@H]1CCCCS1 ZINC000542400599 1013353586 /nfs/dbraw/zinc/35/35/86/1013353586.db2.gz VFNNCSVLWVRNPC-OAHLLOKOSA-N -1 3 422.547 3.950 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(OS(=O)(=O)Cc3ccccc3)cc2)cc1 ZINC000015328390 962722616 /nfs/dbraw/zinc/72/26/16/962722616.db2.gz DJUPEXWONLFHNH-UHFFFAOYSA-N -1 3 417.508 3.705 20 0 HHADHM COC(=O)c1sc2[n-]c(C(Cl)=Cc3ccc(NC(C)=O)cc3)nc(=O)c2c1C ZINC000015352613 962731579 /nfs/dbraw/zinc/73/15/79/962731579.db2.gz 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O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000553556430 1013453791 /nfs/dbraw/zinc/45/37/91/1013453791.db2.gz XAAOOXGJXPYGFS-UHFFFAOYSA-N -1 3 418.291 3.506 20 0 HHADHM CCOCCCn1c2ccccc2nc1[N-]S(=O)(=O)Cc1ccc(F)cc1F ZINC000537877318 1013454844 /nfs/dbraw/zinc/45/48/44/1013454844.db2.gz ZWJSDRRQMIBGSZ-UHFFFAOYSA-N -1 3 409.458 3.683 20 0 HHADHM C[C@@H](c1cccs1)N(C)C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000024235123 963966086 /nfs/dbraw/zinc/96/60/86/963966086.db2.gz RGZNOUFOTARFGI-NSHDSACASA-N -1 3 421.371 3.943 20 0 HHADHM CS(=O)(=O)c1ccc(F)c([N-]C(=O)c2ccc(COc3ccc(F)cc3)o2)c1 ZINC000024593423 964028988 /nfs/dbraw/zinc/02/89/88/964028988.db2.gz CPBNROZSQJAEFY-UHFFFAOYSA-N -1 3 407.394 3.793 20 0 HHADHM C[C@H](CCOCc1ccccc1)[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000553574781 1013471654 /nfs/dbraw/zinc/47/16/54/1013471654.db2.gz DJMNLOBXESUVKN-CYBMUJFWSA-N -1 3 416.312 3.862 20 0 HHADHM Cc1ccc2nc([N-]C(=O)c3sccc3S(=O)(=O)N3CCCC3)sc2c1 ZINC000025323788 964240686 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CCN(Cc1ccccc1C)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000052513933 964920000 /nfs/dbraw/zinc/92/00/00/964920000.db2.gz UUJJAMXAWMNXAL-UHFFFAOYSA-N -1 3 415.490 3.925 20 0 HHADHM O=C(NCc1ccc(Cl)s1)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000052530928 964924784 /nfs/dbraw/zinc/92/47/84/964924784.db2.gz LUZLQMSRWZZGTK-UHFFFAOYSA-N -1 3 413.883 3.600 20 0 HHADHM Cc1cc2cc(NC(=O)c3cc(S(=O)(=O)[N-]c4ccccc4F)c[nH]3)ccc2[nH]1 ZINC000052589037 964935121 /nfs/dbraw/zinc/93/51/21/964935121.db2.gz STRBJHXWSLSQKF-UHFFFAOYSA-N -1 3 412.446 3.997 20 0 HHADHM COc1cccc(NC(=O)c2ccccc2NC=C2C(=O)[N-]C(=O)c3ccccc32)c1 ZINC000053194617 965086373 /nfs/dbraw/zinc/08/63/73/965086373.db2.gz ZGWYPIGITSNIGH-XSFVSMFZSA-N -1 3 413.433 3.671 20 0 HHADHM CC(C)c1c(C(=O)[N-]NC(=O)Cc2ccc3ccccc3c2)cnn1-c1ccccn1 ZINC000053607190 965229565 /nfs/dbraw/zinc/22/95/65/965229565.db2.gz PWBUDWHPLNTBOW-UHFFFAOYSA-N -1 3 413.481 3.548 20 0 HHADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)N(CC)CC)cc2)cc1 ZINC000029048422 965249556 /nfs/dbraw/zinc/24/95/56/965249556.db2.gz KVFHNAQEAFNODR-UHFFFAOYSA-N -1 3 404.532 3.687 20 0 HHADHM CN(Cc1cc(Cl)cc(Cl)c1)C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000057132352 965305198 /nfs/dbraw/zinc/30/51/98/965305198.db2.gz WYXCZVXXZDLLTH-QGZVFWFLSA-N -1 3 407.297 3.962 20 0 HHADHM O=C(Nc1cccc(N2CCCCC2)c1)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000057360833 965413107 /nfs/dbraw/zinc/41/31/07/965413107.db2.gz SAOKPOBGFUOFNU-UHFFFAOYSA-N -1 3 417.506 3.509 20 0 HHADHM C[C@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C(=O)N(C)C1CCCCC1 ZINC000057476225 965469358 /nfs/dbraw/zinc/46/93/58/965469358.db2.gz OOQDFUIODNLDPV-AWEZNQCLSA-N -1 3 411.531 3.793 20 0 HHADHM C[C@H](NC(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)c1ccc(F)cc1 ZINC000057506214 965480414 /nfs/dbraw/zinc/48/04/14/965480414.db2.gz RXPZGTPUZIOGOW-ZDUSSCGKSA-N -1 3 423.473 3.630 20 0 HHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc3cccnc32)ccc1F ZINC000029759605 965487973 /nfs/dbraw/zinc/48/79/73/965487973.db2.gz SNCSAZYZACGIAZ-UHFFFAOYSA-N -1 3 401.463 3.703 20 0 HHADHM C[C@@H]1c2ccsc2CCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000029777141 965494751 /nfs/dbraw/zinc/49/47/51/965494751.db2.gz PYENYDLWFYHHJY-GFCCVEGCSA-N -1 3 410.536 3.724 20 0 HHADHM CCc1cc2c(CN(Cc3nc4ccccc4c(=O)[nH]3)C(C)C)cc(=O)oc2cc1[O-] ZINC000057570806 965499382 /nfs/dbraw/zinc/49/93/82/965499382.db2.gz SXTGWJZSIQQYFW-UHFFFAOYSA-N -1 3 419.481 3.708 20 0 HHADHM COc1ccc2c(c1)CCCN2C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000029787047 965499797 /nfs/dbraw/zinc/49/97/97/965499797.db2.gz WELVKWCXGRCHIF-UHFFFAOYSA-N -1 3 420.506 3.504 20 0 HHADHM O=c1[n-]c(CN2CCN(c3nc4ccccc4s3)CC2)nc2c3ccccc3oc21 ZINC000057596446 965504073 /nfs/dbraw/zinc/50/40/73/965504073.db2.gz GEIACCDCIWQARK-UHFFFAOYSA-N -1 3 417.494 3.601 20 0 HHADHM O=S(=O)([N-]C[C@@H](c1cccs1)N1CCCC1)c1ccc(Br)s1 ZINC000057705190 965528292 /nfs/dbraw/zinc/52/82/92/965528292.db2.gz CERZMTGVJPGCGE-NSHDSACASA-N -1 3 421.407 3.688 20 0 HHADHM Cc1cccn2c1nc(-c1ccccc1)c2NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000057809230 965551962 /nfs/dbraw/zinc/55/19/62/965551962.db2.gz YQKSNDLJCKVSJY-UHFFFAOYSA-N -1 3 401.470 3.581 20 0 HHADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)NCc3cccs3)c2)c1 ZINC000030017204 965599194 /nfs/dbraw/zinc/59/91/94/965599194.db2.gz CYJGSZCWYIAYHT-UHFFFAOYSA-N -1 3 412.467 3.653 20 0 HHADHM C[C@H]1c2cccn2CCN1C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000030266798 965644671 /nfs/dbraw/zinc/64/46/71/965644671.db2.gz QYZBMWQYFLRNPH-HNNXBMFYSA-N -1 3 413.474 3.645 20 0 HHADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]CCc1ccc(C)o1 ZINC000030443899 965699588 /nfs/dbraw/zinc/69/95/88/965699588.db2.gz DPUILFXVAJEATD-UHFFFAOYSA-N -1 3 408.701 3.534 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=S)Nc2ccc(F)cc2F)cc1OC ZINC000054984385 965719150 /nfs/dbraw/zinc/71/91/50/965719150.db2.gz FALIFZQQAZOKPA-UHFFFAOYSA-N -1 3 401.460 3.544 20 0 HHADHM O=C(Nc1cccc(F)c1)c1cccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)c1 ZINC000055010402 965724733 /nfs/dbraw/zinc/72/47/33/965724733.db2.gz LNFMYLIGUTXJGL-MOSHPQCFSA-N -1 3 401.397 3.801 20 0 HHADHM O=C([N-]NC(=O)c1cccc(Nc2ncccn2)c1)c1ccc(Cl)cc1Cl ZINC000030579307 965735247 /nfs/dbraw/zinc/73/52/47/965735247.db2.gz KHFYKZPADGHAOP-UHFFFAOYSA-N -1 3 402.241 3.602 20 0 HHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)OCc2csc(C(C)(C)C)n2)ccc1F ZINC000058682243 965840591 /nfs/dbraw/zinc/84/05/91/965840591.db2.gz SKMOVWIPYXPGGR-UHFFFAOYSA-N -1 3 414.524 3.623 20 0 HHADHM COc1cccc(N2CCN(Cc3nc(=O)c4c(-c5ccco5)csc4[n-]3)CC2)c1 ZINC000030963844 965842404 /nfs/dbraw/zinc/84/24/04/965842404.db2.gz NZQPMSYGCNTUAP-UHFFFAOYSA-N -1 3 422.510 3.575 20 0 HHADHM O=S(=O)([N-]C1CCN(CCc2ccccc2)CC1)c1c(Cl)ccc(F)c1F ZINC000553773047 1013603473 /nfs/dbraw/zinc/60/34/73/1013603473.db2.gz GCRCIFHMPQWMJF-UHFFFAOYSA-N -1 3 414.905 3.604 20 0 HHADHM CSc1cccc([N-]S(=O)(=O)c2c(C)cc(C)c(NS(C)(=O)=O)c2C)c1 ZINC000055548354 965908750 /nfs/dbraw/zinc/90/87/50/965908750.db2.gz PAIJMKZZEYIUQY-UHFFFAOYSA-N -1 3 414.574 3.506 20 0 HHADHM CC(=O)N1CCc2cc([N-]S(=O)(=O)c3ccc(OCCC(C)C)cc3)ccc21 ZINC000055571787 965926807 /nfs/dbraw/zinc/92/68/07/965926807.db2.gz NTGVKHBHNCGMND-UHFFFAOYSA-N -1 3 402.516 3.821 20 0 HHADHM CC(C)CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)[C@@H](C)O3)cc1 ZINC000055576530 965932267 /nfs/dbraw/zinc/93/22/67/965932267.db2.gz HDRBJELIGIPRTH-CQSZACIVSA-N -1 3 404.488 3.632 20 0 HHADHM CCCOc1cc(C)ccc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000055620654 965968171 /nfs/dbraw/zinc/96/81/71/965968171.db2.gz KUMULFYCHHGLKY-UHFFFAOYSA-N -1 3 408.495 3.862 20 0 HHADHM Cc1cccc(NC(=O)CN(C)Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)c1C ZINC000031300281 965973223 /nfs/dbraw/zinc/97/32/23/965973223.db2.gz JOOOEKRYLRPUHF-UHFFFAOYSA-N -1 3 422.510 3.932 20 0 HHADHM COCCOc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)c(C)c1 ZINC000055643789 965986961 /nfs/dbraw/zinc/98/69/61/965986961.db2.gz GREFASBRGBPARD-UHFFFAOYSA-N -1 3 400.294 3.584 20 0 HHADHM O=C(c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)N1CCc2ccc(F)cc21 ZINC000059006491 965990722 /nfs/dbraw/zinc/99/07/22/965990722.db2.gz MUHUBBXKYINQHN-UHFFFAOYSA-N -1 3 414.433 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404.271 3.601 20 0 HHADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000116462174 969897251 /nfs/dbraw/zinc/89/72/51/969897251.db2.gz NMYAILNOAMODEU-MRXNPFEDSA-N -1 3 419.355 3.601 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccccc2N2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000195700043 969966728 /nfs/dbraw/zinc/96/67/28/969966728.db2.gz ZIJYHMWPDZMFLO-CALCHBBNSA-N -1 3 404.532 3.726 20 0 HHADHM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(N4CCC(C)CC4)cc3)ccc21 ZINC000137696635 969981283 /nfs/dbraw/zinc/98/12/83/969981283.db2.gz SBQTVZOVYFRBEP-UHFFFAOYSA-N -1 3 413.543 3.633 20 0 HHADHM O=S(=O)(Cc1ccc(Br)s1)c1nnc(CCC2CCCC2)[n-]1 ZINC000195735082 969991051 /nfs/dbraw/zinc/99/10/51/969991051.db2.gz XJGJLLYURDJOQN-UHFFFAOYSA-N -1 3 404.355 3.725 20 0 HHADHM O=S(=O)(Cc1ccc(Br)s1)c1nc(CCC2CCCC2)n[n-]1 ZINC000195735082 969991059 /nfs/dbraw/zinc/99/10/59/969991059.db2.gz XJGJLLYURDJOQN-UHFFFAOYSA-N -1 3 404.355 3.725 20 0 HHADHM C[C@@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1cc2c(cc1Br)OCCO2 ZINC000237467411 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CC(=O)Nc1ccc([O-])c(C(=O)N2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)c1 ZINC000261451452 970691939 /nfs/dbraw/zinc/69/19/39/970691939.db2.gz DTSGVLDUNVNLSS-UHFFFAOYSA-N -1 3 420.387 3.503 20 0 HHADHM CS(=O)(=O)c1ccc(C(=O)[N-]c2nc3c(s2)C[C@@H](c2ccccc2)CC3)o1 ZINC000261470104 970706554 /nfs/dbraw/zinc/70/65/54/970706554.db2.gz PBAKNLQXYFNIIE-ZDUSSCGKSA-N -1 3 402.497 3.664 20 0 HHADHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(Cl)cnc1Br ZINC000319474980 972671272 /nfs/dbraw/zinc/67/12/72/972671272.db2.gz XAOVSHRLHKJUIQ-UHFFFAOYSA-N -1 3 406.645 3.515 20 0 HHADHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2Br)c1 ZINC000320275297 972679272 /nfs/dbraw/zinc/67/92/72/972679272.db2.gz VBAFWYGLIXEEPV-UHFFFAOYSA-N -1 3 422.659 3.829 20 0 HHADHM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(Br)ccc1F ZINC000321752554 972694817 /nfs/dbraw/zinc/69/48/17/972694817.db2.gz QUDPRXOITWYWBZ-UHFFFAOYSA-N -1 3 407.192 3.745 20 0 HHADHM COc1cc(Br)c(S(=O)(=O)[N-]c2cc(C)cnc2Cl)cc1OC ZINC000323135180 972708667 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Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc(F)c(Br)c3)cc2)n1 ZINC000409649059 973098878 /nfs/dbraw/zinc/09/88/78/973098878.db2.gz AWVOWVUSOXQUMB-UHFFFAOYSA-N -1 3 402.223 3.899 20 0 HHADHM O=C(CCCC1CCOCC1)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000409728890 973202289 /nfs/dbraw/zinc/20/22/89/973202289.db2.gz BYYBPOSFIMXGMV-UHFFFAOYSA-N -1 3 408.926 3.820 20 0 HHADHM Cc1nc(C)c(CCC(=O)N[C@@H](c2ccccc2)c2ccc3c(c2)CCCO3)c(=O)[n-]1 ZINC000410049595 973532798 /nfs/dbraw/zinc/53/27/98/973532798.db2.gz YDKYZUVSDZWGDZ-DEOSSOPVSA-N -1 3 417.509 3.962 20 0 HHADHM Cc1nc(C)c(CC(=O)N2CCC(F)(c3ccccc3C(F)(F)F)CC2)c(=O)[n-]1 ZINC000410107773 973584500 /nfs/dbraw/zinc/58/45/00/973584500.db2.gz WWSMNCMMLJAVAK-UHFFFAOYSA-N -1 3 411.399 3.848 20 0 HHADHM Cc1noc2ncc(S(=O)(=O)[N-]c3cc(F)c(Br)cc3Cl)cc12 ZINC000410399859 973999617 /nfs/dbraw/zinc/99/96/17/973999617.db2.gz WZHPBMJZXIEFRR-UHFFFAOYSA-N -1 3 420.647 3.887 20 0 HHADHM Cc1cc(C)c(-c2cc(NC(=O)c3c[n-]c4c(C)cc(F)cc4c3=O)n[nH]2)cc1C ZINC000426211266 974315863 /nfs/dbraw/zinc/31/58/63/974315863.db2.gz ATVDYJOMJYNXMS-UHFFFAOYSA-N -1 3 404.445 4.543 20 0 HHADHM CCCCc1nc(CSc2nc3nc(C)cc(C(=O)OC)c3c(=O)[n-]2)cs1 ZINC000426586183 974546802 /nfs/dbraw/zinc/54/68/02/974546802.db2.gz AIMTWPOAHJMBCW-UHFFFAOYSA-N -1 3 404.517 3.917 20 0 HHADHM O=C([O-])[C@@H](CNCc1cc(Cl)ccc1OC[C@@H]1CCCO1)Oc1ccc(F)cc1 ZINC000426626454 974570193 /nfs/dbraw/zinc/57/01/93/974570193.db2.gz AHIUWWTXXHEPIZ-AZUAARDMSA-N -1 3 423.868 3.659 20 0 HHADHM Cc1cn2c(nc(C)c2-c2noc(-c3cc4c(nc3[O-])CC(C)(C)CC4=O)n2)s1 ZINC000426626610 974570514 /nfs/dbraw/zinc/57/05/14/974570514.db2.gz WWYFXCPFPVMRKU-UHFFFAOYSA-N -1 3 409.471 3.985 20 0 HHADHM C[C@H]1CC[C@](CNCc2ncc(Br)cc2Br)(CC(=O)[O-])C1 ZINC000426631704 974573257 /nfs/dbraw/zinc/57/32/57/974573257.db2.gz YYNMKDKSLHASRW-ZUZCIYMTSA-N -1 3 420.145 3.977 20 0 HHADHM O=C([O-])[C@H](CNCc1cc(Br)ccc1Cl)Oc1ccc(F)cc1 ZINC000426637060 974575039 /nfs/dbraw/zinc/57/50/39/974575039.db2.gz BZKBMLMPMINAEE-HNNXBMFYSA-N -1 3 402.647 3.863 20 0 HHADHM O=C([O-])[C@@H](CNCc1cc(Br)ccc1Cl)Oc1ccc(F)cc1 ZINC000426637061 974575231 /nfs/dbraw/zinc/57/52/31/974575231.db2.gz BZKBMLMPMINAEE-OAHLLOKOSA-N -1 3 402.647 3.863 20 0 HHADHM CCS[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000426644741 974579547 /nfs/dbraw/zinc/57/95/47/974579547.db2.gz AHFLHSXMKRJYAJ-NVXWUHKLSA-N -1 3 415.581 3.643 20 0 HHADHM COc1cc(C[NH2+]CCC[C@H](Cc2ccccc2)C(=O)[O-])cc(Br)c1[O-] ZINC000426672345 974593287 /nfs/dbraw/zinc/59/32/87/974593287.db2.gz AGUNNOWEXQALKH-MRXNPFEDSA-N -1 3 422.319 3.977 20 0 HHADHM O=C([O-])[C@H](CCCNCc1cn(-c2ccc(F)cc2Cl)nn1)Cc1ccccc1 ZINC000426673311 974594123 /nfs/dbraw/zinc/59/41/23/974594123.db2.gz FNFHWDXPHKCWLY-MRXNPFEDSA-N -1 3 416.884 3.873 20 0 HHADHM O=C([O-])Cc1ccccc1CNCc1cc(Br)c2c(c1)OCCCO2 ZINC000426708437 974608603 /nfs/dbraw/zinc/60/86/03/974608603.db2.gz JSMIUHRPPJNNHY-UHFFFAOYSA-N -1 3 406.276 3.527 20 0 HHADHM COc1cccc(CSC[C@@H](NCc2cc(OC)cc3c2O[C@@H](C)C3)C(=O)[O-])c1 ZINC000426719747 974614322 /nfs/dbraw/zinc/61/43/22/974614322.db2.gz JHFCRTDXTGLOCS-VBKZILBWSA-N -1 3 417.527 3.503 20 0 HHADHM Cc1nc(COc2ccc(CN[C@H](C(=O)[O-])c3ccc(Cl)c(F)c3)cc2)no1 ZINC000426721441 974615700 /nfs/dbraw/zinc/61/57/00/974615700.db2.gz BRKCLCYSSQZSND-SFHVURJKSA-N -1 3 405.813 3.665 20 0 HHADHM O=C([O-])[C@@H](CN1CCCc2ccccc21)NCc1ccc(F)cc1Br ZINC000426732365 974621862 /nfs/dbraw/zinc/62/18/62/974621862.db2.gz IFYCKIOAEGXFSN-QGZVFWFLSA-N -1 3 407.283 3.584 20 0 HHADHM O=C([O-])CC[C@H](Cc1ccccc1)NCc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000426740733 974627265 /nfs/dbraw/zinc/62/72/65/974627265.db2.gz IMNKPVFEZPCTKZ-OAHLLOKOSA-N -1 3 402.857 3.626 20 0 HHADHM O=C([O-])CC[C@@H](Cc1ccccc1)NCc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000426740732 974627459 /nfs/dbraw/zinc/62/74/59/974627459.db2.gz IMNKPVFEZPCTKZ-HNNXBMFYSA-N -1 3 402.857 3.626 20 0 HHADHM COc1cccc(CSC[C@@H](NCc2nc3ccc(Cl)cc3n2C)C(=O)[O-])c1 ZINC000426751341 974635556 /nfs/dbraw/zinc/63/55/56/974635556.db2.gz VCANPYNSZLSXIX-QGZVFWFLSA-N -1 3 419.934 3.712 20 0 HHADHM O=C([O-])[C@@H](Cn1ccc(C(F)(F)F)n1)NCc1ccc(-c2c(F)cccc2F)o1 ZINC000426754774 974637441 /nfs/dbraw/zinc/63/74/41/974637441.db2.gz TWNSSAUTEMGJIP-CYBMUJFWSA-N -1 3 415.318 3.683 20 0 HHADHM COc1ccc(C[NH2+][C@@H](C(=O)[O-])C23CC4CC(CC(C4)C2)C3)c(Br)c1[O-] ZINC000426784430 974657407 /nfs/dbraw/zinc/65/74/07/974657407.db2.gz MHSSUZICXYDBRN-YKXOXXNWSA-N -1 3 424.335 3.923 20 0 HHADHM O=C([O-])[C@@H](NCc1cc(Br)c2c(c1)OCCCO2)c1cccc(F)c1 ZINC000426805579 974674301 /nfs/dbraw/zinc/67/43/01/974674301.db2.gz CTCGRGBUNPVWJC-INIZCTEOSA-N -1 3 410.239 3.665 20 0 HHADHM CCOc1cc(CN[C@@H](C(=O)[O-])c2cccs2)cc(Br)c1OC ZINC000426806477 974674913 /nfs/dbraw/zinc/67/49/13/974674913.db2.gz JWDDVFVGOJONOF-CQSZACIVSA-N -1 3 400.294 3.833 20 0 HHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1ccc(Oc2ccncc2)c(Cl)c1 ZINC000427070751 974876563 /nfs/dbraw/zinc/87/65/63/974876563.db2.gz YFBHHQJUTPEHAO-UHFFFAOYSA-N -1 3 406.833 3.884 20 0 HHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1ccc(Oc2ccncc2)c(Cl)c1 ZINC000427070751 974876568 /nfs/dbraw/zinc/87/65/68/974876568.db2.gz YFBHHQJUTPEHAO-UHFFFAOYSA-N -1 3 406.833 3.884 20 0 HHADHM C[C@@H](c1cccc(Br)c1)S(=O)(=O)Cc1nc(-c2cccs2)n[n-]1 ZINC000427081237 974886980 /nfs/dbraw/zinc/88/69/80/974886980.db2.gz LOVMBSQNVBZWAC-JTQLQIEISA-N -1 3 412.334 3.972 20 0 HHADHM Cc1cnc([C@@H](C)NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)s1 ZINC000427082360 974888017 /nfs/dbraw/zinc/88/80/17/974888017.db2.gz WGCFKRZUJVJCGG-CYBMUJFWSA-N -1 3 419.503 3.882 20 0 HHADHM O=C(Cc1csc(Cc2cccc(Cl)c2)n1)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000427153766 974944260 /nfs/dbraw/zinc/94/42/60/974944260.db2.gz SUGUDCOXEJRNCP-UHFFFAOYSA-N -1 3 424.917 3.672 20 0 HHADHM O=C(Cc1csc(Cc2cccc(Cl)c2)n1)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000427153766 974944264 /nfs/dbraw/zinc/94/42/64/974944264.db2.gz SUGUDCOXEJRNCP-UHFFFAOYSA-N -1 3 424.917 3.672 20 0 HHADHM Nc1c(=O)[n-]c(=O)[nH]c1C(=O)N(CC1(c2ccc(Cl)c(Cl)c2)CCC1)C1CC1 ZINC000427516543 975156546 /nfs/dbraw/zinc/15/65/46/975156546.db2.gz NFPGULJPVTYHDC-UHFFFAOYSA-N -1 3 423.300 3.503 20 0 HHADHM O=S(=O)([N-]c1ccnc(N2CCc3ccccc3C2)c1)c1cccc2cnccc21 ZINC000427630068 975216161 /nfs/dbraw/zinc/21/61/61/975216161.db2.gz QKPROIDWOXMYLL-UHFFFAOYSA-N -1 3 416.506 3.993 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000427799088 975295468 /nfs/dbraw/zinc/29/54/68/975295468.db2.gz PLGPMOXQCLUWLT-UHFFFAOYSA-N -1 3 407.232 3.767 20 0 HHADHM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc([C@@H](C)N4CCOCC4)cc3)cc2s1 ZINC000427802761 975298006 /nfs/dbraw/zinc/29/80/06/975298006.db2.gz VJBUDEJJUVOCHF-CQSZACIVSA-N -1 3 417.556 3.799 20 0 HHADHM C[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)CCS1 ZINC000427918796 975349749 /nfs/dbraw/zinc/34/97/49/975349749.db2.gz ZIMMIXZOUDSLGW-AWEZNQCLSA-N -1 3 408.520 3.594 20 0 HHADHM C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCCC[C@H]1C(=O)NCc1ccc([O-])c(F)c1 ZINC000427953192 975364708 /nfs/dbraw/zinc/36/47/08/975364708.db2.gz XDRFSAPYCPIAHW-LZQZEXGQSA-N -1 3 410.489 3.932 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)[C@H]3CC3(C)C)ccc2C)cc1 ZINC000428081399 975424189 /nfs/dbraw/zinc/42/41/89/975424189.db2.gz AKWDKDDMNICXNL-IBGZPJMESA-N -1 3 402.516 3.675 20 0 HHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cccc(-c2noc(C(F)(F)F)n2)c1 ZINC000428211185 975535131 /nfs/dbraw/zinc/53/51/31/975535131.db2.gz KUNYLPJWUPJFAB-UHFFFAOYSA-N -1 3 411.365 3.534 20 0 HHADHM COc1cc(C(=O)N[C@@H]2CSc3ccc(Br)cc32)cc(OC)c1[O-] ZINC000428211664 975535855 /nfs/dbraw/zinc/53/58/55/975535855.db2.gz WMZOXDMPRBRWOP-GFCCVEGCSA-N -1 3 410.289 3.749 20 0 HHADHM O=S(=O)([N-]C[C@]1(CO)C[C@@H]1c1ccc(F)cc1)c1cc(Cl)ccc1Cl ZINC000428409465 975729621 /nfs/dbraw/zinc/72/96/21/975729621.db2.gz VRDQNNIXTWHJNE-PBHICJAKSA-N -1 3 404.290 3.577 20 0 HHADHM Cc1ccc(C2(C(=O)NCc3ccc([O-])c(Br)c3)CCOCC2)cc1 ZINC000428865798 976155453 /nfs/dbraw/zinc/15/54/53/976155453.db2.gz XKTSQJJIAGFKLW-UHFFFAOYSA-N -1 3 404.304 3.828 20 0 HHADHM O=C([N-]c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1F)c1ccc(F)c(F)c1F ZINC000428908924 976210739 /nfs/dbraw/zinc/21/07/39/976210739.db2.gz VVEWLRCRIMWGSF-UHFFFAOYSA-N -1 3 422.787 3.589 20 0 HHADHM Cc1ccc(-c2nc(NC(=O)c3ccc(Br)c4c3OCCC4)n[n-]2)o1 ZINC000429269963 976556662 /nfs/dbraw/zinc/55/66/62/976556662.db2.gz WNPJJELBIKNOQM-UHFFFAOYSA-N -1 3 403.236 3.713 20 0 HHADHM Cc1cc(S(=O)(=O)[N-][C@H](c2ccccc2)C(C)(C)CO)sc1Br ZINC000429331830 976595998 /nfs/dbraw/zinc/59/59/98/976595998.db2.gz LLMLQOWXCSBOEB-CQSZACIVSA-N -1 3 418.378 3.857 20 0 HHADHM CC1(C)[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Br)[C@H]2CCCO[C@H]21 ZINC000429825318 977095706 /nfs/dbraw/zinc/09/57/06/977095706.db2.gz FUJNXLNRDLFXTB-LERXQTSPSA-N -1 3 408.745 3.584 20 0 HHADHM O=S(=O)([N-][C@H](Cc1ccccc1)[C@H](O)C(F)F)c1ccc(Cl)cc1Cl ZINC000429827966 977097630 /nfs/dbraw/zinc/09/76/30/977097630.db2.gz LILZAXPIZCOFRX-HIFRSBDPSA-N -1 3 410.269 3.509 20 0 HHADHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)[C@H]1COc2ccccc21 ZINC000429834766 977105549 /nfs/dbraw/zinc/10/55/49/977105549.db2.gz XRGKPLKUOVPZRZ-GXFFZTMASA-N -1 3 416.724 3.946 20 0 HHADHM O=S(=O)([N-]Cc1nc(C2CC2)cs1)c1cc(Cl)ccc1Br ZINC000429853853 977125243 /nfs/dbraw/zinc/12/52/43/977125243.db2.gz MIVCZXHHYGTBLW-UHFFFAOYSA-N -1 3 407.742 3.915 20 0 HHADHM Cc1nc(C)c(CC[N-]S(=O)(=O)c2cc(Cl)ccc2Br)s1 ZINC000429869015 977142598 /nfs/dbraw/zinc/14/25/98/977142598.db2.gz UTXNVDZGCHFYKP-UHFFFAOYSA-N -1 3 409.758 3.697 20 0 HHADHM Cc1cc(NC(=O)c2c[n-]c3ccc(Oc4ccccc4)cc3c2=O)cn(C)c1=O ZINC000430586215 977645338 /nfs/dbraw/zinc/64/53/38/977645338.db2.gz VPSDBFIWWKKOKX-UHFFFAOYSA-N -1 3 401.422 3.580 20 0 HHADHM C[C@@H]1CN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)[C@H](C)[C@@H](C)O1 ZINC000430603851 977652397 /nfs/dbraw/zinc/65/23/97/977652397.db2.gz LNKDALBOKVQEGB-OPRDCNLKSA-N -1 3 413.699 3.582 20 0 HHADHM C[C@@H]1C[C@@H]1c1cc(NC(=O)c2c[n-]c3ccc(Oc4ccccc4)cc3c2=O)n[nH]1 ZINC000430632484 977661957 /nfs/dbraw/zinc/66/19/57/977661957.db2.gz YKBRGZQCUPGQPK-CJNGLKHVSA-N -1 3 400.438 4.419 20 0 HHADHM Cn1cc(CN(Cc2ccc(Cl)cc2)C(=O)NCc2ccc([O-])c(F)c2)cn1 ZINC000430868392 977831565 /nfs/dbraw/zinc/83/15/65/977831565.db2.gz QSOMFTYGHYIULF-UHFFFAOYSA-N -1 3 402.857 3.830 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]C[C@@H](C[C@H](C)O)c2ccccc2)sc1Br ZINC000431282395 978168441 /nfs/dbraw/zinc/16/84/41/978168441.db2.gz JZMGKEOVEAJNGM-GXTWGEPZSA-N -1 3 418.378 3.652 20 0 HHADHM CCOC(=O)c1sc([C@@H](C)[N-]S(=O)(=O)Cc2cc(Cl)ccc2F)nc1C ZINC000431300048 978185529 /nfs/dbraw/zinc/18/55/29/978185529.db2.gz FZONTUFWPQMDIT-SNVBAGLBSA-N -1 3 420.915 3.601 20 0 HHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000431319029 978204420 /nfs/dbraw/zinc/20/44/20/978204420.db2.gz NOMOQYBCCWEIBB-ZWKOTPCHSA-N -1 3 413.905 3.962 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C)c3ncc(Br)cn3)nc2)n1 ZINC000431503649 978334380 /nfs/dbraw/zinc/33/43/80/978334380.db2.gz BIGDFPBPYREJMB-SNVBAGLBSA-N -1 3 401.268 3.532 20 0 HHADHM O=S(=O)([N-][C@H](c1ccccc1)C(F)F)c1cccc(I)c1 ZINC000431613328 978385246 /nfs/dbraw/zinc/38/52/46/978385246.db2.gz FIUHKGXXCPTLEK-CYBMUJFWSA-N -1 3 423.222 3.576 20 0 HHADHM COc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)F)c(Br)c1 ZINC000431614258 978385653 /nfs/dbraw/zinc/38/56/53/978385653.db2.gz MVLMKUPBAKARCV-AWEZNQCLSA-N -1 3 406.248 3.742 20 0 HHADHM COc1ccc(Cl)cc1CS(=O)(=O)[N-][C@H](C)c1noc(Cc2ccccc2)n1 ZINC000431886270 978577998 /nfs/dbraw/zinc/57/79/98/978577998.db2.gz CSHVUQXOYAJXIM-CYBMUJFWSA-N -1 3 421.906 3.503 20 0 HHADHM CCc1cc(=O)[n-]c(CS[C@@H]2CCN(c3cccc(Br)c3)C2=O)n1 ZINC000432254616 978730723 /nfs/dbraw/zinc/73/07/23/978730723.db2.gz UUZMSVARLRLOMW-CQSZACIVSA-N -1 3 408.321 3.546 20 0 HHADHM CCOC(=O)c1ccc(C(=O)[N-]c2nnc([C@H]3CCCc4ccccc43)s2)nc1C ZINC000432597028 978905857 /nfs/dbraw/zinc/90/58/57/978905857.db2.gz KDVXTHDZCHKAGQ-KRWDZBQOSA-N -1 3 422.510 4.139 20 0 HHADHM COc1ccc(Oc2ccc(S(=O)(=O)[N-]c3ccc4c(c3)CC(=O)N4C)cc2)cc1 ZINC000432649613 978925513 /nfs/dbraw/zinc/92/55/13/978925513.db2.gz SOMDAUCNUZGDAH-UHFFFAOYSA-N -1 3 424.478 3.807 20 0 HHADHM COC(=O)c1cnc(S[C@H](C)c2nc(=O)c3c4c(sc3[nH]2)C[C@H](C)CC4)[n-]1 ZINC000432668861 978930447 /nfs/dbraw/zinc/93/04/47/978930447.db2.gz LCEXZYNQWDOSCC-RKDXNWHRSA-N -1 3 404.517 3.885 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H]3CCCO3)cc2)cc1Cl ZINC000432757044 978960928 /nfs/dbraw/zinc/96/09/28/978960928.db2.gz HZNLWSPRZMITLA-INIZCTEOSA-N -1 3 424.906 3.575 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccccc2Cn2cncn2)cc1C(C)C ZINC000432759044 978962298 /nfs/dbraw/zinc/96/22/98/978962298.db2.gz PRCGAEKNPFZQMT-UHFFFAOYSA-N -1 3 400.504 3.568 20 0 HHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(N(C)C)cc2)cc1NC(=O)c1ccncc1 ZINC000432762876 978964130 /nfs/dbraw/zinc/96/41/30/978964130.db2.gz LAMVSNTUIBCQSY-UHFFFAOYSA-N -1 3 410.499 3.509 20 0 HHADHM CN(C)c1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)N(C)c3ccccc3)cc2)cc1 ZINC000432769431 978968295 /nfs/dbraw/zinc/96/82/95/978968295.db2.gz OKHXGVFZLVPYEI-UHFFFAOYSA-N -1 3 423.538 3.759 20 0 HHADHM Cc1cc(C(=O)NC2CCCC2)ccc1[N-]S(=O)(=O)c1ccc(N(C)C)cc1 ZINC000432770319 978968805 /nfs/dbraw/zinc/96/88/05/978968805.db2.gz VZFGCCTZGSYRCL-UHFFFAOYSA-N -1 3 401.532 3.534 20 0 HHADHM COCCOc1ccc([N-]S(=O)(=O)c2cc(Cl)c(OC)cc2C)cc1F ZINC000432776225 978971141 /nfs/dbraw/zinc/97/11/41/978971141.db2.gz ZTPQWCSTYPGIHG-UHFFFAOYSA-N -1 3 403.859 3.622 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)[C@H](C)O3)cc1C(C)C ZINC000432779447 978972475 /nfs/dbraw/zinc/97/24/75/978972475.db2.gz KDFPOPHZLXVVEN-ZDUSSCGKSA-N -1 3 404.488 3.647 20 0 HHADHM CCCOc1cccc(NC(=O)NCc2cccc(-c3nnc(C(=O)OCC)[n-]3)c2)c1 ZINC000432845428 978990298 /nfs/dbraw/zinc/99/02/98/978990298.db2.gz DSCYGRXMOMZPMK-UHFFFAOYSA-N -1 3 423.473 3.759 20 0 HHADHM CCCOc1cccc(NC(=O)NCc2cccc(-c3n[n-]c(C(=O)OCC)n3)c2)c1 ZINC000432845428 978990299 /nfs/dbraw/zinc/99/02/99/978990299.db2.gz DSCYGRXMOMZPMK-UHFFFAOYSA-N -1 3 423.473 3.759 20 0 HHADHM O=C([N-]c1n[nH]c(-c2ccncc2)n1)c1ccc(Sc2ccccc2Cl)nn1 ZINC000433082904 979063262 /nfs/dbraw/zinc/06/32/62/979063262.db2.gz LWQZCIDABLUUBJ-UHFFFAOYSA-N -1 3 409.862 3.714 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cnc4c(C)cc(F)cc4c3O)c2)n1 ZINC000433311037 979229752 /nfs/dbraw/zinc/22/97/52/979229752.db2.gz KSQUABVQRGTGEN-UHFFFAOYSA-N -1 3 418.428 3.953 20 0 HHADHM O=C(Nc1ccc(C(=O)N2CCc3ccccc32)cc1)c1cc(F)cc2n[n-]nc21 ZINC000433350264 979253688 /nfs/dbraw/zinc/25/36/88/979253688.db2.gz FCPXTTOIICLLQH-UHFFFAOYSA-N -1 3 401.401 3.552 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)Nc3cc(C)ccc3Cl)c2)[n-]1 ZINC000433593883 979411237 /nfs/dbraw/zinc/41/12/37/979411237.db2.gz WSRINDCSXPOEBZ-UHFFFAOYSA-N -1 3 413.865 3.932 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)Nc3cc(C)ccc3Cl)c2)n[n-]1 ZINC000433593883 979411239 /nfs/dbraw/zinc/41/12/39/979411239.db2.gz WSRINDCSXPOEBZ-UHFFFAOYSA-N -1 3 413.865 3.932 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1ccnc(Oc2ccc(F)cc2F)c1 ZINC000433724743 979517833 /nfs/dbraw/zinc/51/78/33/979517833.db2.gz PKJLVUBCOUUUKR-UHFFFAOYSA-N -1 3 414.294 3.611 20 0 HHADHM CN(Cc1ccccc1NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccccc1 ZINC000433763571 979558314 /nfs/dbraw/zinc/55/83/14/979558314.db2.gz BGYRFWQUHMWDJT-UHFFFAOYSA-N -1 3 404.396 3.782 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]CCc2csc(C(C)C)n2)sc1Br ZINC000433826971 979605427 /nfs/dbraw/zinc/60/54/27/979605427.db2.gz USSBWSBGHJUICM-UHFFFAOYSA-N -1 3 409.396 3.920 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(-c3ccc4ccccc4c3)n2)c(C)o1 ZINC000433938031 979697346 /nfs/dbraw/zinc/69/73/46/979697346.db2.gz BHBVQANHEGMUPK-UHFFFAOYSA-N -1 3 421.478 3.964 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(N[C@H](C)c3ccccc3)cc2)c(C)o1 ZINC000433958867 979716395 /nfs/dbraw/zinc/71/63/95/979716395.db2.gz QSXGMWQQKLJRPS-CQSZACIVSA-N -1 3 413.499 3.922 20 0 HHADHM C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000433997042 979745323 /nfs/dbraw/zinc/74/53/23/979745323.db2.gz LIMVNDSQKYJYSQ-SGTLLEGYSA-N -1 3 405.292 3.688 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2c(F)cccc2Oc2ccccc2)c(C)o1 ZINC000434013107 979758460 /nfs/dbraw/zinc/75/84/60/979758460.db2.gz SOVJMWJPFJXGOS-UHFFFAOYSA-N -1 3 404.419 3.680 20 0 HHADHM C[C@@H]1CCc2onc(C(=O)[N-]c3n[nH]c(-c4ccc(Br)cc4)n3)c2C1 ZINC000434129249 979886105 /nfs/dbraw/zinc/88/61/05/979886105.db2.gz VTDMRXJFJSTHLU-SECBINFHSA-N -1 3 402.252 3.599 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)N[C@H](C)c3cccc(C)c3C)c2)[n-]1 ZINC000434188256 979953902 /nfs/dbraw/zinc/95/39/02/979953902.db2.gz GREWADGRKLCATN-MRXNPFEDSA-N -1 3 421.501 3.826 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)N[C@H](C)c3cccc(C)c3C)c2)n[n-]1 ZINC000434188256 979953910 /nfs/dbraw/zinc/95/39/10/979953910.db2.gz GREWADGRKLCATN-MRXNPFEDSA-N -1 3 421.501 3.826 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)c(C)o1 ZINC000434206642 979974241 /nfs/dbraw/zinc/97/42/41/979974241.db2.gz PUQBOJIJEVEYHW-SFHVURJKSA-N -1 3 404.532 3.771 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(Oc3cccc(C)c3C)nc2)c(C)o1 ZINC000434259203 980023729 /nfs/dbraw/zinc/02/37/29/980023729.db2.gz IVCWZALDEVXVNF-UHFFFAOYSA-N -1 3 415.471 3.553 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2O[C@H](C)c2ccccc2)c(C)o1 ZINC000434263132 980026450 /nfs/dbraw/zinc/02/64/50/980026450.db2.gz DEZKQWVXYVDZAF-CQSZACIVSA-N -1 3 414.483 3.888 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)NCC(C)(C)CC(C)C)c2)[n-]1 ZINC000434308393 980069062 /nfs/dbraw/zinc/06/90/62/980069062.db2.gz UZYPSBMMYCNCPT-UHFFFAOYSA-N -1 3 401.511 3.520 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)NCC(C)(C)CC(C)C)c2)n[n-]1 ZINC000434308393 980069069 /nfs/dbraw/zinc/06/90/69/980069069.db2.gz UZYPSBMMYCNCPT-UHFFFAOYSA-N -1 3 401.511 3.520 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCc3cc(Cl)cc(Cl)c3[C@H]2C)c(C)o1 ZINC000434364502 980116315 /nfs/dbraw/zinc/11/63/15/980116315.db2.gz OVAJDPFNIGQSEB-SECBINFHSA-N -1 3 417.314 3.562 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3cccc(OCCOC)c3)c2)n1 ZINC000435046682 980593840 /nfs/dbraw/zinc/59/38/40/980593840.db2.gz VUFFPGTYNYSXKN-UHFFFAOYSA-N -1 3 407.470 3.618 20 0 HHADHM COc1ccccc1[C@]1(C)C[C@H]1[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000435220487 980730435 /nfs/dbraw/zinc/73/04/35/980730435.db2.gz OZCOXBNDVZLJLD-SJORKVTESA-N -1 3 414.296 3.605 20 0 HHADHM CS[C@H]1CCCCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)C1 ZINC000435389513 980833599 /nfs/dbraw/zinc/83/35/99/980833599.db2.gz KXOHNWVAVGJWRK-INIZCTEOSA-N -1 3 422.547 3.984 20 0 HHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CC1(CO)CC(c2ccccc2)C1 ZINC000435928000 981097183 /nfs/dbraw/zinc/09/71/83/981097183.db2.gz OOQDVBRIGUAOJC-UHFFFAOYSA-N -1 3 403.475 3.715 20 0 HHADHM COC(=O)c1cc([N-]S(=O)(=O)c2cc(C)cc(Br)c2)c(F)cc1F ZINC000436016101 981156896 /nfs/dbraw/zinc/15/68/96/981156896.db2.gz YVXHHFZEVXKEIP-UHFFFAOYSA-N -1 3 420.231 3.623 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cnc(-c3ccccc3)nc2)c(Br)c1 ZINC000436017658 981158349 /nfs/dbraw/zinc/15/83/49/981158349.db2.gz BVIBOZFLXVUJSQ-UHFFFAOYSA-N -1 3 420.288 3.716 20 0 HHADHM COc1cc(C(=O)N(CCn2ccnc2)Cc2cccc(Cl)c2)cc(OC)c1[O-] ZINC000436019444 981159115 /nfs/dbraw/zinc/15/91/15/981159115.db2.gz HVMAGGQYVQUSHZ-UHFFFAOYSA-N -1 3 415.877 3.602 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)Nc2cc(C)c(OC)cc2C)cc1OC ZINC000436106469 981203229 /nfs/dbraw/zinc/20/32/29/981203229.db2.gz UHZLJLMXGNOAOW-UHFFFAOYSA-N -1 3 407.492 3.726 20 0 HHADHM O=C([N-]c1n[nH]c(-c2ccc(Br)cc2)n1)c1noc2c1CCCCC2 ZINC000436239390 981264273 /nfs/dbraw/zinc/26/42/73/981264273.db2.gz OANSNXZDBFYEBR-UHFFFAOYSA-N -1 3 402.252 3.743 20 0 HHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1cnccc1Oc1ccccc1 ZINC000436490590 981398649 /nfs/dbraw/zinc/39/86/49/981398649.db2.gz YBDLIGAXBKMKCV-UHFFFAOYSA-N -1 3 417.465 3.614 20 0 HHADHM O=C(Nc1ccc(OC2CCCC2)nc1)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436515429 981411894 /nfs/dbraw/zinc/41/18/94/981411894.db2.gz RFVGLFSCFVKZNV-UHFFFAOYSA-N -1 3 424.501 3.535 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCCc1cccc(F)c1F ZINC000436521394 981415091 /nfs/dbraw/zinc/41/50/91/981415091.db2.gz DHYDRDYHPKCNRG-NRFANRHFSA-N -1 3 424.447 3.891 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1cc(C2CCCC2)[nH]n1 ZINC000436520896 981415165 /nfs/dbraw/zinc/41/51/65/981415165.db2.gz AXXBOHQJSWCLRM-FQEVSTJZSA-N -1 3 418.497 4.273 20 0 HHADHM Cc1cccc(Oc2ncccc2NC(=O)NCCNC(=O)c2ccc([O-])cc2)c1C ZINC000436523037 981416002 /nfs/dbraw/zinc/41/60/02/981416002.db2.gz YRKKCYCEGUEOBG-UHFFFAOYSA-N -1 3 420.469 3.748 20 0 HHADHM C[C@@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])c1ccccc1NS(C)(=O)=O ZINC000436525764 981418428 /nfs/dbraw/zinc/41/84/28/981418428.db2.gz OLZVIFNKVFSSOJ-MRXNPFEDSA-N -1 3 424.522 3.846 20 0 HHADHM O=C(Cc1ccccc1)N1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000436526535 981419087 /nfs/dbraw/zinc/41/90/87/981419087.db2.gz JKTQUGAMQMGCHJ-UHFFFAOYSA-N -1 3 414.505 3.510 20 0 HHADHM C[C@H](CCc1cccn1C)NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436528358 981420819 /nfs/dbraw/zinc/42/08/19/981420819.db2.gz NWJCPOYVDPHVKL-WZONZLPQSA-N -1 3 419.525 3.729 20 0 HHADHM O=C(Nc1cccc(COCc2ccco2)c1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436528085 981421048 /nfs/dbraw/zinc/42/10/48/981421048.db2.gz GISLZCQJTDXFCJ-NRFANRHFSA-N -1 3 420.465 3.945 20 0 HHADHM CCc1cnc(CN(C)C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)s1 ZINC000436528111 981421052 /nfs/dbraw/zinc/42/10/52/981421052.db2.gz NGVVQQDRUSLCFN-FQEVSTJZSA-N -1 3 423.538 3.931 20 0 HHADHM O=C(Nc1cnn(Cc2ccncc2)c1)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436532139 981424089 /nfs/dbraw/zinc/42/40/89/981424089.db2.gz FHTWVFINHOZNRR-UHFFFAOYSA-N -1 3 400.438 3.863 20 0 HHADHM CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436531714 981424100 /nfs/dbraw/zinc/42/41/00/981424100.db2.gz DNJXBKVAEZMVNV-KSSFIOAISA-N -1 3 400.500 3.614 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@H](CCO)C1CCCCC1 ZINC000436533283 981425247 /nfs/dbraw/zinc/42/52/47/981425247.db2.gz IMLPCCPYBWUCFW-DHIUTWEWSA-N -1 3 424.541 3.701 20 0 HHADHM COCCNC(=O)c1ccc(NC(=O)c2cc3c(cc2[O-])CCCC3)cc1Cl ZINC000436537538 981427631 /nfs/dbraw/zinc/42/76/31/981427631.db2.gz XTXXMILCEGJPAI-UHFFFAOYSA-N -1 3 402.878 3.553 20 0 HHADHM COc1ccc(C(=O)N2CCCC2)cc1NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436538490 981427984 /nfs/dbraw/zinc/42/79/84/981427984.db2.gz INFSWYYCGHDPBQ-UHFFFAOYSA-N -1 3 410.470 3.603 20 0 HHADHM O=C(Nc1cccc(C[S@@](=O)C2CCOCC2)c1)c1cc2c(cc1[O-])CCCC2 ZINC000436538785 981428817 /nfs/dbraw/zinc/42/88/17/981428817.db2.gz LFSRXANXRQJAKB-GDLZYMKVSA-N -1 3 413.539 3.951 20 0 HHADHM CCCCN(C(=O)c1cc(CCc2ccccc2)ccc1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000436546383 981434249 /nfs/dbraw/zinc/43/42/49/981434249.db2.gz KBQPUPCGIFGPPZ-FQEVSTJZSA-N -1 3 415.555 3.607 20 0 HHADHM CCCCN(C(=O)c1cc(Oc2ccccc2)ccc1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000436551643 981437207 /nfs/dbraw/zinc/43/72/07/981437207.db2.gz QHKIGAPXEZNVCF-MRXNPFEDSA-N -1 3 403.500 3.614 20 0 HHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000436552529 981438153 /nfs/dbraw/zinc/43/81/53/981438153.db2.gz DOJFIKVOSAKMJI-OAQYLSRUSA-N -1 3 406.526 3.652 20 0 HHADHM CSCC[C@H](C)N(C)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436553554 981438832 /nfs/dbraw/zinc/43/88/32/981438832.db2.gz CXFQZJOFHOROMV-JXFKEZNVSA-N -1 3 400.544 3.853 20 0 HHADHM COC1CCC(CNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC1 ZINC000436553135 981438885 /nfs/dbraw/zinc/43/88/85/981438885.db2.gz BPMQKJVDBVCNQQ-JHJOLFGTSA-N -1 3 410.514 3.575 20 0 HHADHM CN(CCC1CCOCC1)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436554450 981439396 /nfs/dbraw/zinc/43/93/96/981439396.db2.gz IADIQIYYEZHGAB-QFIPXVFZSA-N -1 3 410.514 3.529 20 0 HHADHM COc1ccc(C(=O)N(C)C)cc1NC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436554022 981439439 /nfs/dbraw/zinc/43/94/39/981439439.db2.gz GBQMOMGHGDHHKF-UHFFFAOYSA-N -1 3 420.465 3.934 20 0 HHADHM O=C(Nc1ccccc1Cn1cncn1)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436554080 981439547 /nfs/dbraw/zinc/43/95/47/981439547.db2.gz GSDROQKPVXZFLF-UHFFFAOYSA-N -1 3 400.438 3.863 20 0 HHADHM C[C@@H](Cc1ccc(O)cc1)NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436554185 981439609 /nfs/dbraw/zinc/43/96/09/981439609.db2.gz DXAIHNSKIACGEP-SBUREZEXSA-N -1 3 418.493 3.706 20 0 HHADHM CN(CC(=O)NCc1cccs1)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436555206 981440205 /nfs/dbraw/zinc/44/02/05/981440205.db2.gz NGRFEJZQXQCEKA-UHFFFAOYSA-N -1 3 408.523 3.627 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCc2cccc(F)c21 ZINC000436555612 981441019 /nfs/dbraw/zinc/44/10/19/981441019.db2.gz LJUNZLKXGMJGSO-OAQYLSRUSA-N -1 3 404.441 3.982 20 0 HHADHM CC1(C)C[C@@H](NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C(C)(C)O1 ZINC000436559625 981444216 /nfs/dbraw/zinc/44/42/16/981444216.db2.gz ALPLIYQJUQWRDX-WOJBJXKFSA-N -1 3 410.514 3.716 20 0 HHADHM CCN(C(=O)c1ccc(OC)cc1[O-])C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000436567178 981449182 /nfs/dbraw/zinc/44/91/82/981449182.db2.gz ZGEFLEHWJIPHBQ-UHFFFAOYSA-N -1 3 412.534 3.754 20 0 HHADHM C[C@@H](NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1cccc2ccccc21 ZINC000436569383 981450424 /nfs/dbraw/zinc/45/04/24/981450424.db2.gz DCCZWMXHETVBET-QGZVFWFLSA-N -1 3 403.482 3.774 20 0 HHADHM CS(=O)(=O)c1cccc([C@@H](NC(=O)c2ccccc2[O-])c2ccc(F)c(F)c2)c1 ZINC000436577635 981455699 /nfs/dbraw/zinc/45/56/99/981455699.db2.gz ULMDXACRPLFSOH-HXUWFJFHSA-N -1 3 417.433 3.593 20 0 HHADHM Cn1cc([C@H]2CSCCN2C(=O)c2cc(CCc3ccccc3)ccc2[O-])cn1 ZINC000436577584 981455709 /nfs/dbraw/zinc/45/57/09/981455709.db2.gz VEWHXXBFBHEOBD-OAQYLSRUSA-N -1 3 407.539 3.841 20 0 HHADHM CN(C(=O)c1ccc(NC(=O)c2cc3c(cc2[O-])CCCC3)cc1)C1CCOCC1 ZINC000436579033 981457294 /nfs/dbraw/zinc/45/72/94/981457294.db2.gz WPQBKGQEZJRTAB-UHFFFAOYSA-N -1 3 408.498 3.774 20 0 HHADHM CS(=O)(=O)c1cccc([C@@H](NC(=O)c2ccccc2[O-])c2cc(F)ccc2F)c1 ZINC000436578966 981457321 /nfs/dbraw/zinc/45/73/21/981457321.db2.gz XXGMMJIVCIEKCO-HXUWFJFHSA-N -1 3 417.433 3.593 20 0 HHADHM O=C(C[C@@H]1COCCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-])c1ccco1 ZINC000436591573 981463970 /nfs/dbraw/zinc/46/39/70/981463970.db2.gz XKDXPLADSAYTEL-MRXNPFEDSA-N -1 3 407.422 3.892 20 0 HHADHM Cc1nc(C)c(NC(=O)c2cc(CN3C(=O)c4ccccc4C3=O)cc(C)c2[O-])s1 ZINC000436591139 981463995 /nfs/dbraw/zinc/46/39/95/981463995.db2.gz VKDXSJBBYQKCFG-UHFFFAOYSA-N -1 3 421.478 3.822 20 0 HHADHM CSCCc1ccc(NC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436593509 981465161 /nfs/dbraw/zinc/46/51/61/981465161.db2.gz CKQABKNAENONQT-UHFFFAOYSA-N -1 3 413.543 3.724 20 0 HHADHM C[C@H](c1nnc(-c2ccccc2F)s1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436595132 981465537 /nfs/dbraw/zinc/46/55/37/981465537.db2.gz LAMIQMGPCJAISX-CQSZACIVSA-N -1 3 412.490 3.569 20 0 HHADHM C[C@H](O)C[C@@H]1CCCCCN1C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436607265 981471667 /nfs/dbraw/zinc/47/16/67/981471667.db2.gz IFDACVZFGYDVIZ-AVCGJXAMSA-N -1 3 424.541 3.796 20 0 HHADHM C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436609415 981472338 /nfs/dbraw/zinc/47/23/38/981472338.db2.gz LDRXTEJFVGQIPA-KBXCAEBGSA-N -1 3 420.431 3.763 20 0 HHADHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CC[C@H](CSc2ccccc2)C1 ZINC000436618005 981477288 /nfs/dbraw/zinc/47/72/88/981477288.db2.gz JXBFSNYMONVHEY-PXNSSMCTSA-N -1 3 410.539 3.638 20 0 HHADHM O=C(c1ccc(O)cc1[O-])N1CCC[C@H]1c1ccc(I)cc1 ZINC000436618903 981477838 /nfs/dbraw/zinc/47/78/38/981477838.db2.gz MWVOCGDESNUFPW-HNNXBMFYSA-N -1 3 409.223 3.680 20 0 HHADHM Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])ccc1OC1CCOCC1 ZINC000436618647 981477958 /nfs/dbraw/zinc/47/79/58/981477958.db2.gz MDTQPOYVUQHAKI-FQEVSTJZSA-N -1 3 424.497 3.502 20 0 HHADHM O=C(N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436621151 981479026 /nfs/dbraw/zinc/47/90/26/981479026.db2.gz CLUZTDNGLWXBNJ-JQHSSLGASA-N -1 3 418.415 3.688 20 0 HHADHM O=C(N[C@@H]1CCCc2cn(C3CCCC3)nc21)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436624799 981480840 /nfs/dbraw/zinc/48/08/40/981480840.db2.gz AQCVWWZJXWAGEU-UXHICEINSA-N -1 3 422.529 3.502 20 0 HHADHM C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])c1cccc(OC(F)(F)F)c1 ZINC000436628190 981482557 /nfs/dbraw/zinc/48/25/57/981482557.db2.gz XJYGTKXQKKZUDC-DYVFJYSZSA-N -1 3 422.403 3.773 20 0 HHADHM CCCC[C@H](NC(=O)c1ccc(O)cc1[O-])C(=O)Nc1cccc(N2CCCC2)c1 ZINC000436628106 981482683 /nfs/dbraw/zinc/48/26/83/981482683.db2.gz WUQWXLWXPSZEGX-FQEVSTJZSA-N -1 3 411.502 3.625 20 0 HHADHM O=C(Nc1ccccc1)Nc1cccc2c1CCN(C(=O)c1ccc(O)cc1[O-])C2 ZINC000436629715 981483104 /nfs/dbraw/zinc/48/31/04/981483104.db2.gz KFPZTIIKZKHZLR-UHFFFAOYSA-N -1 3 403.438 3.940 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc(F)cc2OCC(F)(F)F)c([O-])c1 ZINC000436633762 981484354 /nfs/dbraw/zinc/48/43/54/981484354.db2.gz MAUCGYGXOMCYIN-UHFFFAOYSA-N -1 3 414.355 3.539 20 0 HHADHM O=C(NCC1CCC(c2ccccc2)CC1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436635806 981485812 /nfs/dbraw/zinc/48/58/12/981485812.db2.gz OONOEMYJQPKNDL-UHFFFAOYSA-N -1 3 421.541 3.834 20 0 HHADHM CN(C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])c1cccc(OC(F)(F)F)c1 ZINC000436637676 981487752 /nfs/dbraw/zinc/48/77/52/981487752.db2.gz XZYQIMRFYJJCOX-MRXNPFEDSA-N -1 3 408.376 3.558 20 0 HHADHM NC(=O)N1CCc2cc(NC(=O)c3cc(CCc4ccccc4)ccc3[O-])ccc21 ZINC000436640370 981488873 /nfs/dbraw/zinc/48/88/73/981488873.db2.gz PEGVAFYLDAPWHY-UHFFFAOYSA-N -1 3 401.466 3.871 20 0 HHADHM COc1ccc(F)c(NC(=O)Cc2csc(NC(=O)c3cc(C)ccc3[O-])n2)c1 ZINC000436642106 981489575 /nfs/dbraw/zinc/48/95/75/981489575.db2.gz ZLZLBNMOZAOVHO-UHFFFAOYSA-N -1 3 415.446 3.738 20 0 HHADHM O=C(Nc1nnc(-c2cc(Br)ccc2F)s1)c1c([O-])cccc1O ZINC000436650600 981491939 /nfs/dbraw/zinc/49/19/39/981491939.db2.gz XBWZWNYSOWOAGB-UHFFFAOYSA-N -1 3 410.224 3.770 20 0 HHADHM CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2c([O-])cccc2O)CC1 ZINC000436650867 981492404 /nfs/dbraw/zinc/49/24/04/981492404.db2.gz XZUXTAWJHJFQPA-INIZCTEOSA-N -1 3 419.319 3.769 20 0 HHADHM O=C(c1ccc(-c2ccccc2Cl)o1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436657923 981495367 /nfs/dbraw/zinc/49/53/67/981495367.db2.gz SLYBUSZAFCZSRO-UHFFFAOYSA-N -1 3 410.857 3.904 20 0 HHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CC[C@@](CO)(c2ccccc2)C1 ZINC000436659311 981496228 /nfs/dbraw/zinc/49/62/28/981496228.db2.gz ZUCIZWSHFQFVOQ-AREMUKBSSA-N -1 3 401.506 3.954 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)N2CCC[C@H]2c2nc3ccccc3s2)c([O-])c1 ZINC000436664142 981499297 /nfs/dbraw/zinc/49/92/97/981499297.db2.gz HQWGTPORAGLCRZ-KRWDZBQOSA-N -1 3 409.511 3.794 20 0 HHADHM Cc1nc(C)c(-c2csc(NC(=O)CCNC(=O)c3ccc(C)cc3[O-])n2)s1 ZINC000436667645 981500624 /nfs/dbraw/zinc/50/06/24/981500624.db2.gz UNZXEQDJWBYOTR-UHFFFAOYSA-N -1 3 416.528 3.656 20 0 HHADHM COc1ccccc1CN1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000436675958 981506009 /nfs/dbraw/zinc/50/60/09/981506009.db2.gz ZBENUEKIOXYDKL-UHFFFAOYSA-N -1 3 416.521 3.950 20 0 HHADHM Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000436676333 981507000 /nfs/dbraw/zinc/50/70/00/981507000.db2.gz OKBBKYZRYFSIIL-OAHLLOKOSA-N -1 3 403.548 3.928 20 0 HHADHM Cc1ccc(Cc2ccccn2)cc1NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436678467 981507356 /nfs/dbraw/zinc/50/73/56/981507356.db2.gz CAEUAHZMUXHZBJ-JOCHJYFZSA-N -1 3 415.493 3.930 20 0 HHADHM C[C@@H](C(=O)Nc1cccc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)c1)n1cccn1 ZINC000436679669 981508156 /nfs/dbraw/zinc/50/81/56/981508156.db2.gz HCSHGAXWOCCJSU-AWEZNQCLSA-N -1 3 420.469 3.754 20 0 HHADHM Cc1cc(C)n(-c2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])cc2F)n1 ZINC000436680727 981508713 /nfs/dbraw/zinc/50/87/13/981508713.db2.gz OFKRDCXQOJEHTH-FQEVSTJZSA-N -1 3 422.460 3.577 20 0 HHADHM Cc1ccc([C@H]2OCCC[C@@H]2C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436682505 981510133 /nfs/dbraw/zinc/51/01/33/981510133.db2.gz QJADZGZLHIMMFI-JTHBVZDNSA-N -1 3 422.525 3.589 20 0 HHADHM COc1cc(-c2nc(Cc3ccc(-n4nc(C)cc4C)cc3)no2)cc(OC)c1[O-] ZINC000436687764 981512468 /nfs/dbraw/zinc/51/24/68/981512468.db2.gz JISBYRXDYPGMIQ-UHFFFAOYSA-N -1 3 406.442 3.853 20 0 HHADHM Cc1ccc(C(=O)NCCc2nc(Cc3csc(-c4ccccc4)n3)no2)c([O-])c1 ZINC000436691707 981515181 /nfs/dbraw/zinc/51/51/81/981515181.db2.gz VJLZSQDBPBBYGS-UHFFFAOYSA-N -1 3 420.494 3.770 20 0 HHADHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CC=C(c2ccccc2Cl)CC1 ZINC000436694972 981517997 /nfs/dbraw/zinc/51/79/97/981517997.db2.gz BZFLBGPTHHUVKY-FQEVSTJZSA-N -1 3 410.901 3.966 20 0 HHADHM CC(C)(C)[C@@H](NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(F)cc1 ZINC000436695577 981518051 /nfs/dbraw/zinc/51/80/51/981518051.db2.gz DOBKSUDFGWOILX-FQEVSTJZSA-N -1 3 413.493 3.786 20 0 HHADHM O=C(Nc1ccn(CCc2ccncc2)n1)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436696264 981518608 /nfs/dbraw/zinc/51/86/08/981518608.db2.gz NXOSIFJTFFJDML-UHFFFAOYSA-N -1 3 412.493 4.264 20 0 HHADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1cnc2c(c1)NC(=O)CO2 ZINC000436698197 981519121 /nfs/dbraw/zinc/51/91/21/981519121.db2.gz OZIXIXBGFIBYEA-UHFFFAOYSA-N -1 3 418.434 3.647 20 0 HHADHM CCSc1ccc([C@H](C)NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000436698548 981519362 /nfs/dbraw/zinc/51/93/62/981519362.db2.gz QANSVIUSUXHGTI-INIZCTEOSA-N -1 3 413.543 3.733 20 0 HHADHM CC(C)c1ccc(C(=O)N(C)CC(=O)Nc2ccccc2Br)c([O-])c1 ZINC000436705461 981522077 /nfs/dbraw/zinc/52/20/77/981522077.db2.gz KCGHBRWEAAZFJD-UHFFFAOYSA-N -1 3 405.292 3.989 20 0 HHADHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CCC(Cc2cccc(F)c2)CC1 ZINC000436710763 981525008 /nfs/dbraw/zinc/52/50/08/981525008.db2.gz YMWQNJMFBLKMGE-NRFANRHFSA-N -1 3 410.489 3.617 20 0 HHADHM COc1cccc(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)c1[O-] ZINC000436714625 981526878 /nfs/dbraw/zinc/52/68/78/981526878.db2.gz IVRMLNZDVJLJTL-UHFFFAOYSA-N -1 3 418.515 3.526 20 0 HHADHM C[C@@H](NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1cc(Cl)ccc1Cl ZINC000436724686 981532587 /nfs/dbraw/zinc/53/25/87/981532587.db2.gz QGEYZLODJPWRQT-CYBMUJFWSA-N -1 3 422.312 3.928 20 0 HHADHM O=C(NCCNC(=O)c1ccc([O-])cc1)c1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000436735864 981538271 /nfs/dbraw/zinc/53/82/71/981538271.db2.gz FSHCITMAHFAHQV-UHFFFAOYSA-N -1 3 418.371 3.831 20 0 HHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccnc(OC2CCCCC2)c1 ZINC000436739313 981539589 /nfs/dbraw/zinc/53/95/89/981539589.db2.gz NROQMPMMNSBVJM-UHFFFAOYSA-N -1 3 423.513 3.533 20 0 HHADHM O=C(Nc1ccccc1OC1CCCC1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436749050 981543797 /nfs/dbraw/zinc/54/37/97/981543797.db2.gz ROWHTTJISCSKEP-UHFFFAOYSA-N -1 3 409.486 3.704 20 0 HHADHM O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCCN1C(=O)c1cc2c(cc1[O-])OCO2 ZINC000436756518 981547522 /nfs/dbraw/zinc/54/75/22/981547522.db2.gz RUPJCVAAGSWRFV-AWEZNQCLSA-N -1 3 423.252 3.671 20 0 HHADHM Cc1ccc(C(F)(F)F)cc1NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436766440 981552916 /nfs/dbraw/zinc/55/29/16/981552916.db2.gz DDPVWBMILIZOHL-UHFFFAOYSA-N -1 3 407.392 3.709 20 0 HHADHM Cc1noc([C@H](NC(=O)c2cc(Oc3ccccc3)ccc2[O-])C2CCOCC2)n1 ZINC000436771994 981554921 /nfs/dbraw/zinc/55/49/21/981554921.db2.gz YUOPXGNSGJLSQS-HXUWFJFHSA-N -1 3 409.442 3.774 20 0 HHADHM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000436771536 981555119 /nfs/dbraw/zinc/55/51/19/981555119.db2.gz WPIQRGSTAXITEQ-GOSISDBHSA-N -1 3 410.514 3.576 20 0 HHADHM O=C(c1cccc(Oc2ccccc2)c1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436777022 981557049 /nfs/dbraw/zinc/55/70/49/981557049.db2.gz LPLSKNVOZIHVKD-UHFFFAOYSA-N -1 3 402.450 3.783 20 0 HHADHM O=C(N[C@@H]1CCCc2sc(Cl)cc21)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436777836 981557111 /nfs/dbraw/zinc/55/71/11/981557111.db2.gz DTYNANFWCUUOPO-MRXNPFEDSA-N -1 3 419.934 3.652 20 0 HHADHM Cc1noc([C@H](NC(=O)c2cc(CCc3ccccc3)ccc2[O-])C2CCOCC2)n1 ZINC000436778956 981557666 /nfs/dbraw/zinc/55/76/66/981557666.db2.gz UVKCZZBSKSHPSH-JOCHJYFZSA-N -1 3 421.497 3.767 20 0 HHADHM O=C(C[C@H]1CCCS(=O)(=O)C1)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000436779542 981558247 /nfs/dbraw/zinc/55/82/47/981558247.db2.gz WCGAYDRKHTUHJF-CYBMUJFWSA-N -1 3 416.524 3.822 20 0 HHADHM COC(=O)C[C@H](NC(=O)c1cc(NC(C)=O)ccc1[O-])c1ccc(C(C)(C)C)cc1 ZINC000436787660 981561253 /nfs/dbraw/zinc/56/12/53/981561253.db2.gz PKSKOJXJGQVVQO-IBGZPJMESA-N -1 3 412.486 3.682 20 0 HHADHM O=C(NCC1(c2ccc(Cl)cc2)CCC1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436787990 981561463 /nfs/dbraw/zinc/56/14/63/981561463.db2.gz AEMVVBORBSTILL-LJQANCHMSA-N -1 3 412.917 3.888 20 0 HHADHM O=C(CC1CCC(C(F)(F)F)CC1)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436789785 981562048 /nfs/dbraw/zinc/56/20/48/981562048.db2.gz DLPFRZUUDKOVEQ-UHFFFAOYSA-N -1 3 412.452 3.872 20 0 HHADHM COc1cc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])ccc1C(F)(F)F ZINC000436792100 981563578 /nfs/dbraw/zinc/56/35/78/981563578.db2.gz MCXMFYZGGNLURB-HNNXBMFYSA-N -1 3 408.376 3.663 20 0 HHADHM CN(Cc1cccc(Br)c1OC[C@@H]1CCCO1)C(=O)c1ccccc1[O-] ZINC000436792453 981564121 /nfs/dbraw/zinc/56/41/21/981564121.db2.gz WFPVEJIBQGZCBJ-HNNXBMFYSA-N -1 3 420.303 3.985 20 0 HHADHM C[C@@H](c1nccs1)N1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000436802745 981568746 /nfs/dbraw/zinc/56/87/46/981568746.db2.gz FSFTYKJJABCFNO-KRWDZBQOSA-N -1 3 407.539 3.959 20 0 HHADHM COc1ccc(C(=O)N2CCC[C@@H](Nc3cccc(Br)c3)C2)c([O-])c1 ZINC000436811530 981572392 /nfs/dbraw/zinc/57/23/92/981572392.db2.gz VKAJNDIZBKPSPC-OAHLLOKOSA-N -1 3 405.292 3.880 20 0 HHADHM COC[C@H]1CCCCN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000436816238 981573869 /nfs/dbraw/zinc/57/38/69/981573869.db2.gz NNCPALVSMBNSKR-PGRDOPGGSA-N -1 3 410.514 3.529 20 0 HHADHM COCC[C@H]1CCCCN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000436820531 981575940 /nfs/dbraw/zinc/57/59/40/981575940.db2.gz RRZBTHOKMGWITR-AUSIDOKSSA-N -1 3 424.541 3.919 20 0 HHADHM COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000436820699 981575957 /nfs/dbraw/zinc/57/59/57/981575957.db2.gz MGUKVHCMBZNFCW-AWEZNQCLSA-N -1 3 420.893 3.526 20 0 HHADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)C2(c3c(Cl)cccc3Cl)CC2)CC1 ZINC000436826354 981578415 /nfs/dbraw/zinc/57/84/15/981578415.db2.gz OITHAUGEXPQIKI-UHFFFAOYSA-N -1 3 419.308 3.715 20 0 HHADHM O=C(Nc1ccc(-c2ccc[nH]2)cc1)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436826802 981578466 /nfs/dbraw/zinc/57/84/66/981578466.db2.gz QQPVIOXIUPLZEI-UHFFFAOYSA-N -1 3 404.470 3.814 20 0 HHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCc2c(nnn2-c2ccccc2)C1 ZINC000436826218 981578624 /nfs/dbraw/zinc/57/86/24/981578624.db2.gz GROAFRCSPQJNOP-UHFFFAOYSA-N -1 3 412.449 3.964 20 0 HHADHM O=C(c1cccc(Nc2ccccc2)c1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436834120 981581616 /nfs/dbraw/zinc/58/16/16/981581616.db2.gz YIKPAGFGVBTYBO-UHFFFAOYSA-N -1 3 401.466 3.734 20 0 HHADHM C[C@@H]1C[C@@H](CCNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCO1 ZINC000436835423 981582238 /nfs/dbraw/zinc/58/22/38/981582238.db2.gz WDCYQZUHIHFQBS-KGVIQGDOSA-N -1 3 410.514 3.575 20 0 HHADHM CCc1ccc(C(=O)N2CCC[C@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)c([O-])c1 ZINC000436838525 981584352 /nfs/dbraw/zinc/58/43/52/981584352.db2.gz JGJMZHXLTNCUPU-SFHVURJKSA-N -1 3 418.497 3.950 20 0 HHADHM O=C(NCC1(c2ccc(F)cc2Cl)CC1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436842468 981585785 /nfs/dbraw/zinc/58/57/85/981585785.db2.gz XXLHLTQZVXIYIG-SFHVURJKSA-N -1 3 416.880 3.637 20 0 HHADHM Cc1nn(-c2ccccc2)c(C)c1[C@H](NC(=O)c1ccc(O)cc1[O-])C(F)(F)F ZINC000436844943 981586719 /nfs/dbraw/zinc/58/67/19/981586719.db2.gz QNMGEZJVSYPTAP-SFHVURJKSA-N -1 3 405.376 3.934 20 0 HHADHM C[C@@]1(c2ccccc2)CCCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000436849416 981589388 /nfs/dbraw/zinc/58/93/88/981589388.db2.gz DVFHLNQKQMWQSU-SQJMNOBHSA-N -1 3 406.526 3.967 20 0 HHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2C[C@@H](c3cccc(C(F)(F)F)c3)OC[C@H]2C)c1 ZINC000436853167 981592163 /nfs/dbraw/zinc/59/21/63/981592163.db2.gz JSBSVRODGSMJCK-BLVKFPJESA-N -1 3 422.403 3.972 20 0 HHADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CCC(Cc2ccccc2F)CC1 ZINC000436866361 981596798 /nfs/dbraw/zinc/59/67/98/981596798.db2.gz YETYNBWLJMGKII-OAQYLSRUSA-N -1 3 410.489 3.617 20 0 HHADHM Cc1ccc(C(=O)N(C)Cc2cccc(Br)c2OCC(C)(C)O)c([O-])c1 ZINC000436869749 981597643 /nfs/dbraw/zinc/59/76/43/981597643.db2.gz LECKYJIMUGQSFX-UHFFFAOYSA-N -1 3 422.319 3.885 20 0 HHADHM C[C@@H](C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(Cl)c(Cl)c1 ZINC000436879838 981600027 /nfs/dbraw/zinc/60/00/27/981600027.db2.gz LAVJSEIUBIMWGX-CYBMUJFWSA-N -1 3 407.297 3.787 20 0 HHADHM O=C(c1ccccc1[O-])N1CCN(C(=O)C2(c3ccc(F)cc3)CCCCC2)CC1 ZINC000436883248 981600733 /nfs/dbraw/zinc/60/07/33/981600733.db2.gz CHHONIRCSGJDMH-UHFFFAOYSA-N -1 3 410.489 3.718 20 0 HHADHM O=C(NCCNC(=O)c1ccc([O-])cc1)c1csc(-c2cccc3ccccc32)n1 ZINC000436887906 981602091 /nfs/dbraw/zinc/60/20/91/981602091.db2.gz RLRMVSQPNOLWDJ-UHFFFAOYSA-N -1 3 417.490 3.829 20 0 HHADHM O=C(c1ccccc1[O-])N1CCN(C(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)CC1 ZINC000436887976 981602141 /nfs/dbraw/zinc/60/21/41/981602141.db2.gz SAVBMHLIMQCVIV-ROUUACIJSA-N -1 3 419.308 3.787 20 0 HHADHM O=C(NC1CCN(CCOc2ccc(F)cc2)CC1)c1cc(F)c([O-])c(Cl)c1 ZINC000436905933 981611703 /nfs/dbraw/zinc/61/17/03/981611703.db2.gz PKUFLZKVCKKLHZ-UHFFFAOYSA-N -1 3 410.848 3.597 20 0 HHADHM COCCN(Cc1ccco1)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436909919 981615441 /nfs/dbraw/zinc/61/54/41/981615441.db2.gz BHIAFWSGWQWCNP-JOCHJYFZSA-N -1 3 422.481 3.522 20 0 HHADHM Cc1ncc(CN(C)C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)s1 ZINC000436910098 981615507 /nfs/dbraw/zinc/61/55/07/981615507.db2.gz NEQUHFOVVLQLFG-HXUWFJFHSA-N -1 3 409.511 3.677 20 0 HHADHM C/C(=C\c1ccccc1OC(F)F)CN1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436912665 981618342 /nfs/dbraw/zinc/61/83/42/981618342.db2.gz XXDYNCKIQFINID-JQIJEIRASA-N -1 3 402.441 3.855 20 0 HHADHM Cc1nc(CN(C)C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cs1 ZINC000436920754 981625105 /nfs/dbraw/zinc/62/51/05/981625105.db2.gz AMSXHGBAQYFCNS-FQEVSTJZSA-N -1 3 409.511 3.677 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1n[nH]c2ccc(F)cc21 ZINC000436924575 981627052 /nfs/dbraw/zinc/62/70/52/981627052.db2.gz XCDSBHYPWZZWPW-HXUWFJFHSA-N -1 3 418.428 3.908 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1n[nH]c2ccc(F)cc21 ZINC000436924574 981627196 /nfs/dbraw/zinc/62/71/96/981627196.db2.gz XCDSBHYPWZZWPW-FQEVSTJZSA-N -1 3 418.428 3.908 20 0 HHADHM Cc1cccc(CCNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC000436925031 981627715 /nfs/dbraw/zinc/62/77/15/981627715.db2.gz YXRANLIQAWGPSC-HSZRJFAPSA-N -1 3 402.494 3.921 20 0 HHADHM CC1(C)CN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)[C@H]1[C@H]1CCCO1 ZINC000436929302 981629310 /nfs/dbraw/zinc/62/93/10/981629310.db2.gz TZJLMSSAWDFYHM-XJUOHMSHSA-N -1 3 422.525 3.669 20 0 HHADHM C[C@@H](NC(=O)c1cc2c(cc1[O-])OCO2)c1cccc(NC(=O)c2ccccc2)c1 ZINC000436928563 981629407 /nfs/dbraw/zinc/62/94/07/981629407.db2.gz SFWCYGIDPUFPRM-CQSZACIVSA-N -1 3 404.422 3.864 20 0 HHADHM O=C(Nc1ncc(-c2ccc(F)cc2)s1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436939287 981635512 /nfs/dbraw/zinc/63/55/12/981635512.db2.gz YCCACJWJVOYGEG-INIZCTEOSA-N -1 3 411.458 3.898 20 0 HHADHM Cc1cccc(OCCCCC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000436942461 981636243 /nfs/dbraw/zinc/63/62/43/981636243.db2.gz HHKUPTIJNGMJPV-UHFFFAOYSA-N -1 3 410.514 3.671 20 0 HHADHM O=C(c1ccccc1[O-])N1CCN(c2ccc3ccc(Br)cc3n2)CC1 ZINC000436944045 981637039 /nfs/dbraw/zinc/63/70/39/981637039.db2.gz IRUBDXBFUQKGBR-UHFFFAOYSA-N -1 3 412.287 3.665 20 0 HHADHM Cc1cc(Cl)ccc1O[C@H](C)C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436946317 981638451 /nfs/dbraw/zinc/63/84/51/981638451.db2.gz RKDYPECQEXKRLQ-OAHLLOKOSA-N -1 3 416.905 3.542 20 0 HHADHM Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCCN1C(=O)c1ccc(C)cc1[O-] ZINC000436953121 981642853 /nfs/dbraw/zinc/64/28/53/981642853.db2.gz LZPMYEMBPFMPGA-OAQYLSRUSA-N -1 3 405.498 3.776 20 0 HHADHM COc1ccc([C@@H]2CCN(C(=O)c3cc(NC(=O)c4cnoc4C)ccc3[O-])C2)cc1 ZINC000436955629 981645134 /nfs/dbraw/zinc/64/51/34/981645134.db2.gz HIPLKEUWEJFESZ-MRXNPFEDSA-N -1 3 421.453 3.579 20 0 HHADHM O=C(c1cc2c(cc1[O-])OCO2)N1CCCCC[C@@H]1c1noc(-c2ccccc2)n1 ZINC000436959488 981648775 /nfs/dbraw/zinc/64/87/75/981648775.db2.gz DAGMAJQRARUKLW-MRXNPFEDSA-N -1 3 407.426 3.928 20 0 HHADHM COc1ccccc1C[C@@H](C)N(C)C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000436963575 981651069 /nfs/dbraw/zinc/65/10/69/981651069.db2.gz OMQVJTVKZMEWFF-CQSZACIVSA-N -1 3 423.469 3.653 20 0 HHADHM CCc1onc(-c2ccccc2)c1C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436971472 981656958 /nfs/dbraw/zinc/65/69/58/981656958.db2.gz JYXSFAAAZXKXQV-UHFFFAOYSA-N -1 3 419.481 3.644 20 0 HHADHM CCN(Cc1cccc(-c2ccncc2)c1)C(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000436972474 981657746 /nfs/dbraw/zinc/65/77/46/981657746.db2.gz SXAZUXSFYDLXRK-UHFFFAOYSA-N -1 3 417.509 3.931 20 0 HHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCN(C(C)C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000436973516 981658737 /nfs/dbraw/zinc/65/87/37/981658737.db2.gz XZYVZRLQMLZCFA-FPOVZHCZSA-N -1 3 417.456 3.583 20 0 HHADHM Cn1nnc2cc(C(=O)Nc3ccc([O-])c(-c4nc5ccccc5s4)c3)cnc21 ZINC000436974853 981660358 /nfs/dbraw/zinc/66/03/58/981660358.db2.gz CNRNAVFNAUKWGA-UHFFFAOYSA-N -1 3 402.439 3.598 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)N2CCCC[C@@H]2c2nc3ccccc3o2)c([O-])c1 ZINC000436977587 981662010 /nfs/dbraw/zinc/66/20/10/981662010.db2.gz RYFRARFOYMHGTE-GOSISDBHSA-N -1 3 407.470 3.716 20 0 HHADHM Cc1cc(F)c(Br)cc1NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436980886 981664461 /nfs/dbraw/zinc/66/44/61/981664461.db2.gz AHFJACPZUIXVHJ-INIZCTEOSA-N -1 3 421.266 3.846 20 0 HHADHM CCC1(CC)[C@H](NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])[C@@H](C)[C@H]1OC ZINC000436981971 981665293 /nfs/dbraw/zinc/66/52/93/981665293.db2.gz WGXBBZQNTHMUAB-QQGDVQBRSA-N -1 3 415.490 3.510 20 0 HHADHM COc1c(CNC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])oc2ccccc21 ZINC000436988202 981670031 /nfs/dbraw/zinc/67/00/31/981670031.db2.gz WNHDNSYWUFMOHL-UHFFFAOYSA-N -1 3 421.409 3.626 20 0 HHADHM CC[C@@H](NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1)c1ccncc1 ZINC000436991535 981672632 /nfs/dbraw/zinc/67/26/32/981672632.db2.gz VMAYCRXMKFRIPK-QGZVFWFLSA-N -1 3 410.499 3.614 20 0 HHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3CC(C)(C)[C@@H]3C(C)C)cs2)c1 ZINC000436997835 981676149 /nfs/dbraw/zinc/67/61/49/981676149.db2.gz ARJROCAMXBADGZ-SFHVURJKSA-N -1 3 401.532 3.845 20 0 HHADHM O=C(Nc1ccc(COC2CCCC2)cc1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000437005152 981681294 /nfs/dbraw/zinc/68/12/94/981681294.db2.gz RVIMWTANMRALNH-UHFFFAOYSA-N -1 3 423.513 3.841 20 0 HHADHM CC(C)[C@H]1CN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)CCS1 ZINC000437201579 981859258 /nfs/dbraw/zinc/85/92/58/981859258.db2.gz KVJPHIDFBUQWRR-LJQANCHMSA-N -1 3 422.547 3.840 20 0 HHADHM O=S(=O)([N-]CCc1nc(C(F)(F)F)cs1)c1cccc(Cl)c1Cl ZINC000437317231 981968764 /nfs/dbraw/zinc/96/87/64/981968764.db2.gz GXGZHTMDXUKLTE-UHFFFAOYSA-N -1 3 405.250 3.990 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2)c1 ZINC000437361675 982009804 /nfs/dbraw/zinc/00/98/04/982009804.db2.gz AGTFOMTWJWFEBQ-MAUKXSAKSA-N -1 3 411.845 3.880 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000460357446 982130689 /nfs/dbraw/zinc/13/06/89/982130689.db2.gz HFJBUNZCFBUDPX-HXUWFJFHSA-N -1 3 417.303 3.834 20 0 HHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CC[C@H]3Cc3ccccc3)nc(=O)c2c1C ZINC000437827071 982385339 /nfs/dbraw/zinc/38/53/39/982385339.db2.gz CTFURJGCBFPWNH-HOCLYGCPSA-N -1 3 411.527 3.848 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@@H](C)CCc2ccc(C)o2)cc1OC ZINC000437833400 982391118 /nfs/dbraw/zinc/39/11/18/982391118.db2.gz ABKVEYJVWBWNJJ-ZDUSSCGKSA-N -1 3 409.508 3.501 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3cnccc3C)ccc2C)cc1 ZINC000460810682 982563767 /nfs/dbraw/zinc/56/37/67/982563767.db2.gz JFKNFAFHTNHTEY-UHFFFAOYSA-N -1 3 411.483 3.760 20 0 HHADHM COc1ccc(OCCS(=O)(=O)[N-]c2cccc(Oc3ccncc3)c2)cc1 ZINC000460829941 982580085 /nfs/dbraw/zinc/58/00/85/982580085.db2.gz PVULWNRAWQZSLT-UHFFFAOYSA-N -1 3 400.456 3.703 20 0 HHADHM C[C@H]1CCN(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000438190137 982642379 /nfs/dbraw/zinc/64/23/79/982642379.db2.gz NGIMQAQZTUVNPK-GTNSWQLSSA-N -1 3 402.372 3.812 20 0 HHADHM C[C@@H]1CCN(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000438190140 982642392 /nfs/dbraw/zinc/64/23/92/982642392.db2.gz NGIMQAQZTUVNPK-PIGZYNQJSA-N -1 3 402.372 3.812 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2OC)c(C)o1 ZINC000438215754 982657590 /nfs/dbraw/zinc/65/75/90/982657590.db2.gz ZSQVCNQMLHRZBW-UHFFFAOYSA-N -1 3 416.455 3.549 20 0 HHADHM Cc1cc(Br)c([N-]S(=O)(=O)c2cccc3c2OCCO3)cc1Cl ZINC000461114421 982805440 /nfs/dbraw/zinc/80/54/40/982805440.db2.gz RQSJNOXNFBZLSZ-UHFFFAOYSA-N -1 3 418.696 3.983 20 0 HHADHM CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000438697236 983009533 /nfs/dbraw/zinc/00/95/33/983009533.db2.gz PKDNNPXQNPRBHP-QZTJIDSGSA-N -1 3 409.530 3.691 20 0 HHADHM CCOc1ccc(-c2nc(CN3CCN(C(=O)c4ccc([O-])cc4)CC3)cs2)cc1 ZINC000438698328 983009906 /nfs/dbraw/zinc/00/99/06/983009906.db2.gz MITVXEUBWHLVGG-UHFFFAOYSA-N -1 3 423.538 3.872 20 0 HHADHM Cc1ccc(Nc2nc(CN3CCN(C(=O)c4ccc([O-])cc4)CC3)cs2)cc1 ZINC000438701155 983012427 /nfs/dbraw/zinc/01/24/27/983012427.db2.gz WCLWTDAUCIOKOP-UHFFFAOYSA-N -1 3 408.527 3.859 20 0 HHADHM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N(Cc2ccccc2)C2CCN(C)CC2)n1 ZINC000438716149 983022525 /nfs/dbraw/zinc/02/25/25/983022525.db2.gz YQPRYZSKUAZWDM-UHFFFAOYSA-N -1 3 422.504 3.762 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCOC3)cc2)cc1Br ZINC000438775118 983063544 /nfs/dbraw/zinc/06/35/44/983063544.db2.gz LDDIKOLYAVGZOM-OAHLLOKOSA-N -1 3 412.305 3.726 20 0 HHADHM CC(C)(C)CN1CCC[C@@H](Sc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)C1=O ZINC000461416479 983080284 /nfs/dbraw/zinc/08/02/84/983080284.db2.gz NHGCGRBKHZGCBS-MRXNPFEDSA-N -1 3 411.531 3.650 20 0 HHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncccn1 ZINC000461454814 983121172 /nfs/dbraw/zinc/12/11/72/983121172.db2.gz WFQVEYIHUJBSJK-RCBQFDQVSA-N -1 3 406.408 3.977 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NC[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000438924462 983156663 /nfs/dbraw/zinc/15/66/63/983156663.db2.gz XXPOALSQNWDURN-HOCLYGCPSA-N -1 3 422.451 3.558 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H]3CO[C@H](C)C3)ccc2C)cc1 ZINC000438972467 983187592 /nfs/dbraw/zinc/18/75/92/983187592.db2.gz WWYHTBDEEZZVHZ-CVEARBPZSA-N -1 3 418.515 3.558 20 0 HHADHM C[C@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)c1ccc(F)cc1F ZINC000439007969 983206438 /nfs/dbraw/zinc/20/64/38/983206438.db2.gz MNQNBAQOLQAGGR-NSHDSACASA-N -1 3 423.416 3.724 20 0 HHADHM Cn1c2cc([O-])c(NC(=O)C3(c4c(Cl)cccc4Cl)CCC3)cc2n(C)c1=O ZINC000461609596 983237123 /nfs/dbraw/zinc/23/71/23/983237123.db2.gz OGNPUOOCQLZAMY-UHFFFAOYSA-N -1 3 420.296 3.950 20 0 HHADHM CC[C@@H](C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C)c1cccc(C(F)(F)F)c1 ZINC000461610544 983237705 /nfs/dbraw/zinc/23/77/05/983237705.db2.gz BELOYZLUXNTDJM-CYBMUJFWSA-N -1 3 407.392 3.734 20 0 HHADHM Cc1cccc(COc2cccc(C(=O)Nc3cc4c(cc3[O-])n(C)c(=O)n4C)c2)c1 ZINC000461611613 983238229 /nfs/dbraw/zinc/23/82/29/983238229.db2.gz FDXMAPSTZKRHOB-UHFFFAOYSA-N -1 3 417.465 3.722 20 0 HHADHM C[C@H]1CCC[C@H](OCCCCCC(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)C1 ZINC000461621129 983244750 /nfs/dbraw/zinc/24/47/50/983244750.db2.gz YVWPJAWYJKHNQW-HOTGVXAUSA-N -1 3 403.523 3.677 20 0 HHADHM CCOCCNC(=O)CS[C@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000439874196 983564607 /nfs/dbraw/zinc/56/46/07/983564607.db2.gz BHYVESJIDMNYAF-LLVKDONJSA-N -1 3 407.517 3.604 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCC3(C(C)C)CC3)c2)cc1 ZINC000439989364 983607608 /nfs/dbraw/zinc/60/76/08/983607608.db2.gz MCWWARDNVSBKLT-UHFFFAOYSA-N -1 3 416.543 3.970 20 0 HHADHM C[C@H](CSCc1ccccc1)C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000440144214 983659232 /nfs/dbraw/zinc/65/92/32/983659232.db2.gz KZHZFSTVTSRKID-QGZVFWFLSA-N -1 3 412.555 3.683 20 0 HHADHM CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000440252456 983697945 /nfs/dbraw/zinc/69/79/45/983697945.db2.gz TXMVLIWSBCASDV-IERDGZPVSA-N -1 3 414.525 3.677 20 0 HHADHM COc1cc(Br)c([N-]S(=O)(=O)c2cc(C)c(F)cc2F)cc1OC ZINC000440286240 983706868 /nfs/dbraw/zinc/70/68/68/983706868.db2.gz WPIKCRYSDRLGDT-UHFFFAOYSA-N -1 3 422.247 3.854 20 0 HHADHM COC(=O)CCCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)cc1 ZINC000440305170 983713035 /nfs/dbraw/zinc/71/30/35/983713035.db2.gz RBKSNMOPZWOQQM-UHFFFAOYSA-N -1 3 419.499 3.533 20 0 HHADHM CS(=O)(=O)NCc1ccc(C(=O)[N-]c2cccc(Cl)c2SCC(F)F)o1 ZINC000440552445 983794085 /nfs/dbraw/zinc/79/40/85/983794085.db2.gz FOIPPKXNIBTZSI-UHFFFAOYSA-N -1 3 424.878 3.592 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)N(C)Cc3cn(C)nc3C(F)(F)F)cc2)cc(=O)[n-]1 ZINC000440857949 983938907 /nfs/dbraw/zinc/93/89/07/983938907.db2.gz HESYEXATGXYURI-UHFFFAOYSA-N -1 3 420.395 3.574 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCCCC[C@@H]2/C=C/c2ccccc2)c(C)o1 ZINC000440878903 983948530 /nfs/dbraw/zinc/94/85/30/983948530.db2.gz WYCNEKFHBJIUGY-QFQMRYFISA-N -1 3 402.516 3.594 20 0 HHADHM CCN(CC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)C1CC1 ZINC000440935986 983988801 /nfs/dbraw/zinc/98/88/01/983988801.db2.gz XNCLKOITQJVABL-UHFFFAOYSA-N -1 3 421.950 3.872 20 0 HHADHM Cc1ccc(Cl)cc1NC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000441272425 984151864 /nfs/dbraw/zinc/15/18/64/984151864.db2.gz USKYAURORCHUDX-UHFFFAOYSA-N -1 3 420.293 3.541 20 0 HHADHM Cc1cccc(Cl)c1NC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000441746623 984427100 /nfs/dbraw/zinc/42/71/00/984427100.db2.gz AOYNAPYVBOHIBW-UHFFFAOYSA-N -1 3 420.293 3.541 20 0 HHADHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H]2CCCC[C@H]2C(F)(F)F)cc1Cl ZINC000441988252 984581826 /nfs/dbraw/zinc/58/18/26/984581826.db2.gz DRKXMBGOBANKMO-ZWNOBZJWSA-N -1 3 413.845 3.774 20 0 HHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000461893076 984914307 /nfs/dbraw/zinc/91/43/07/984914307.db2.gz ALMMGANUBQEZDF-UHFFFAOYSA-N -1 3 418.273 3.887 20 0 HHADHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)Nc2ccc(C(C)(C)C)cc2)CCCC1 ZINC000462050622 985024935 /nfs/dbraw/zinc/02/49/35/985024935.db2.gz RQLURYATVVJUNK-UHFFFAOYSA-N -1 3 419.547 3.819 20 0 HHADHM COc1cccc(C[C@H](C)[N-]S(=O)(=O)c2sc(C)cc2Br)c1 ZINC000462136891 985106650 /nfs/dbraw/zinc/10/66/50/985106650.db2.gz UGWNIJZRBQQCNR-JTQLQIEISA-N -1 3 404.351 3.737 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H](c2nc(C3CC3)no2)C(C)C)s1 ZINC000462159795 985134682 /nfs/dbraw/zinc/13/46/82/985134682.db2.gz SOYGFHJKWBUCPJ-NSHDSACASA-N -1 3 420.354 3.755 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H](C)COc2cccc(F)c2)s1 ZINC000462184401 985164747 /nfs/dbraw/zinc/16/47/47/985164747.db2.gz BYKPUZJKUNVEIB-SECBINFHSA-N -1 3 408.314 3.704 20 0 HHADHM O=S(=O)([N-]CC1(CCOCc2ccccc2)CC1)c1cnccc1C(F)(F)F ZINC000442745438 985199991 /nfs/dbraw/zinc/19/99/91/985199991.db2.gz OWBAMOVDRDSCEA-UHFFFAOYSA-N -1 3 414.449 3.766 20 0 HHADHM CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000442771472 985210729 /nfs/dbraw/zinc/21/07/29/985210729.db2.gz SDNJHUMXPVKBCO-MEBBXXQBSA-N -1 3 408.829 3.808 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H]2CCOc3c(F)cccc32)s1 ZINC000442796378 985219190 /nfs/dbraw/zinc/21/91/90/985219190.db2.gz VMTYBFDDWFTSNW-LBPRGKRZSA-N -1 3 406.298 3.760 20 0 HHADHM Cc1ccc([C@H](C[N-]S(=O)(=O)c2cnccc2C(F)(F)F)N2CCCC2)cc1 ZINC000442807775 985221292 /nfs/dbraw/zinc/22/12/92/985221292.db2.gz FPCZFIXZEGMFBU-KRWDZBQOSA-N -1 3 413.465 3.524 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2COc3c2ccc(C)c3C)s1 ZINC000462286636 985274049 /nfs/dbraw/zinc/27/40/49/985274049.db2.gz GUYKSJBKZDPFJS-CYBMUJFWSA-N -1 3 402.335 3.848 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H]2CCC[C@H]2C)c(Br)c1 ZINC000462301980 985287878 /nfs/dbraw/zinc/28/78/78/985287878.db2.gz YXFUCAXULPKOHA-SKDRFNHKSA-N -1 3 411.159 3.987 20 0 HHADHM O=S(=O)([N-]CC1(c2ccccc2Cl)CCOCC1)c1cc(F)c(F)c(F)c1 ZINC000462302497 985288283 /nfs/dbraw/zinc/28/82/83/985288283.db2.gz WQUZIBXIUFAAMK-UHFFFAOYSA-N -1 3 419.852 3.784 20 0 HHADHM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2cc(Br)ccc2C)o1 ZINC000462309040 985295839 /nfs/dbraw/zinc/29/58/39/985295839.db2.gz AIXLVDQTWVGWLZ-AWEZNQCLSA-N -1 3 402.310 3.579 20 0 HHADHM CN(Cc1ccco1)Cc1ccccc1C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000462310336 985296744 /nfs/dbraw/zinc/29/67/44/985296744.db2.gz GISASBKOGVTKGN-UHFFFAOYSA-N -1 3 406.454 3.668 20 0 HHADHM COCc1nc(CNC(=O)c2c[n-]c3ccccc3c2=O)c(-c2ccccc2)s1 ZINC000442977211 985313230 /nfs/dbraw/zinc/31/32/30/985313230.db2.gz ZBFHOCXGMGQKTO-UHFFFAOYSA-N -1 3 405.479 3.728 20 0 HHADHM COc1ccccc1[C@]1(C)C[C@@H]1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000462324472 985314030 /nfs/dbraw/zinc/31/40/30/985314030.db2.gz CQKGNDMXZGVYFX-WFASDCNBSA-N -1 3 402.335 3.528 20 0 HHADHM O=S(=O)(c1ccc(Cl)c(-c2nnn[n-]2)c1)N(CC1CCC1)c1ccccc1 ZINC000443007409 985332853 /nfs/dbraw/zinc/33/28/53/985332853.db2.gz NYDAYGFYOAVLNQ-UHFFFAOYSA-N -1 3 403.895 3.516 20 0 HHADHM O=S(=O)(c1ccc(Cl)c(-c2nn[n-]n2)c1)N(CC1CCC1)c1ccccc1 ZINC000443007409 985332863 /nfs/dbraw/zinc/33/28/63/985332863.db2.gz NYDAYGFYOAVLNQ-UHFFFAOYSA-N -1 3 403.895 3.516 20 0 HHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]CCCc1cccc(C(F)(F)F)c1 ZINC000443014236 985336425 /nfs/dbraw/zinc/33/64/25/985336425.db2.gz OCWDRKYYKFGPDH-UHFFFAOYSA-N -1 3 419.396 3.542 20 0 HHADHM Cc1nc(C)c(CCC(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)c(=O)[n-]1 ZINC000462352029 985340499 /nfs/dbraw/zinc/34/04/99/985340499.db2.gz KGWQJHHGDIWQNL-KOMQPUFPSA-N -1 3 404.308 3.557 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H](C)c1ccc(OC)cc1 ZINC000443032706 985345588 /nfs/dbraw/zinc/34/55/88/985345588.db2.gz BVZXXRQMQYEYJA-LBPRGKRZSA-N -1 3 405.497 3.736 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCSc2ccc(Cl)cc21 ZINC000443031879 985345648 /nfs/dbraw/zinc/34/56/48/985345648.db2.gz ZMFUEIXJPYSQBA-ZDUSSCGKSA-N -1 3 415.895 3.781 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]Cc1nc(C(C)(C)C)cs1 ZINC000443075040 985362892 /nfs/dbraw/zinc/36/28/92/985362892.db2.gz YSBCFQVBNVKDDF-UHFFFAOYSA-N -1 3 424.569 3.920 20 0 HHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](c1ccccc1)c1cccnc1 ZINC000443075437 985363888 /nfs/dbraw/zinc/36/38/88/985363888.db2.gz UZMIPTRGFFDCQI-IBGZPJMESA-N -1 3 416.886 3.590 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000443088229 985368539 /nfs/dbraw/zinc/36/85/39/985368539.db2.gz UJNCTTCUJVQUSV-CYBMUJFWSA-N -1 3 418.273 3.885 20 0 HHADHM Cc1nn(C)c(C)c1C[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000462400391 985378667 /nfs/dbraw/zinc/37/86/67/985378667.db2.gz GQHKFGWVLRRFTO-VIFPVBQESA-N -1 3 409.861 3.619 20 0 HHADHM CCC(CC)c1cc(C[N-]S(=O)(=O)c2ccc(OC)c(Br)c2)on1 ZINC000462404084 985380408 /nfs/dbraw/zinc/38/04/08/985380408.db2.gz UQQIWPZLTXNZJX-UHFFFAOYSA-N -1 3 417.325 3.828 20 0 HHADHM Cc1nn(C)c(C)c1C[C@H](C)[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000462417093 985390045 /nfs/dbraw/zinc/39/00/45/985390045.db2.gz CKJARNOSPDWZSE-NSHDSACASA-N -1 3 424.979 3.723 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@H](C)N2CCc3ccccc32)s1 ZINC000462424860 985397067 /nfs/dbraw/zinc/39/70/67/985397067.db2.gz FUNNNHOPTFWTFO-LLVKDONJSA-N -1 3 415.378 3.549 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCOc2ccc(Cl)cc2)s1 ZINC000462471607 985429234 /nfs/dbraw/zinc/42/92/34/985429234.db2.gz VWILMYAMRZCDSJ-UHFFFAOYSA-N -1 3 410.742 3.830 20 0 HHADHM CCOc1cccc2cc([C@@H](C)[N-]S(=O)(=O)c3csc(C(=O)OC)c3)oc21 ZINC000462478048 985434587 /nfs/dbraw/zinc/43/45/87/985434587.db2.gz ZPJZCSOSGBHZPV-LLVKDONJSA-N -1 3 409.485 3.719 20 0 HHADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@@H](CC(C)C)c1ccc(Cl)cc1 ZINC000443249691 985459297 /nfs/dbraw/zinc/45/92/97/985459297.db2.gz OCAXXKJSIMVJJF-ZDUSSCGKSA-N -1 3 402.925 3.649 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]Cc1ccc(C)cc1OC(C)(C)C ZINC000443351437 985515125 /nfs/dbraw/zinc/51/51/25/985515125.db2.gz NCFAZCJDUXUTEK-UHFFFAOYSA-N -1 3 409.479 3.577 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](c1ccccc1)c1cccc(F)c1 ZINC000443366905 985527996 /nfs/dbraw/zinc/52/79/96/985527996.db2.gz VCWUHZVDEYTIES-FQEVSTJZSA-N -1 3 417.433 3.819 20 0 HHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000443375558 985536571 /nfs/dbraw/zinc/53/65/71/985536571.db2.gz SVMTYZRVAGWPQO-SNVBAGLBSA-N -1 3 421.368 3.550 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccn(-c2ccc(F)cc2F)n1 ZINC000467927772 985561565 /nfs/dbraw/zinc/56/15/65/985561565.db2.gz QXGRNOKVGQFWSY-UHFFFAOYSA-N -1 3 408.202 3.549 20 0 HHADHM CCC[C@H](CNC(=O)Cn1cc(Cl)c(=O)[n-]c1=O)c1ccc(Cl)cc1Cl ZINC000443414516 985569790 /nfs/dbraw/zinc/56/97/90/985569790.db2.gz OPMKGVKDXFFOTH-SNVBAGLBSA-N -1 3 418.708 3.609 20 0 HHADHM COc1ccccc1-c1noc([C@@H](C)[N-]S(=O)(=O)c2cccc(C(C)C)c2)n1 ZINC000462654617 985595014 /nfs/dbraw/zinc/59/50/14/985595014.db2.gz DHWJBXQKKUYPBL-CQSZACIVSA-N -1 3 401.488 3.908 20 0 HHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1)c1nc(-c2cccc(F)c2)no1 ZINC000462669206 985607721 /nfs/dbraw/zinc/60/77/21/985607721.db2.gz QTYRUIOASWLIBS-SNVBAGLBSA-N -1 3 415.368 3.934 20 0 HHADHM O=S(=O)([N-][C@@H]1CCO[C@H](c2ccccc2)C1)c1cc(Br)ccc1F ZINC000462673881 985611453 /nfs/dbraw/zinc/61/14/53/985611453.db2.gz IHQFZSVBEVPNKY-ZBFHGGJFSA-N -1 3 414.296 3.787 20 0 HHADHM CCSc1nnc([N-]C(=O)c2ccc(Sc3ccccc3Cl)nn2)s1 ZINC000467976515 985621516 /nfs/dbraw/zinc/62/15/16/985621516.db2.gz CZAKVYBPCLWTES-UHFFFAOYSA-N -1 3 409.949 4.497 20 0 HHADHM COC(=O)C[C@H]([N-]S(=O)(=O)c1sc(C)cc1Br)C1CCCCC1 ZINC000462699648 985642086 /nfs/dbraw/zinc/64/20/86/985642086.db2.gz FAZDTCHKGWJMRD-ZDUSSCGKSA-N -1 3 424.382 3.609 20 0 HHADHM COc1ccc(CNC(C)=O)cc1S(=O)(=O)[N-]c1cc(Cl)c(C)cc1Cl ZINC000443468107 985642517 /nfs/dbraw/zinc/64/25/17/985642517.db2.gz SVBVPVGZPGWSSE-UHFFFAOYSA-N -1 3 417.314 3.747 20 0 HHADHM COC(=O)c1ccc(S(=O)(=O)[N-]C2(c3cccc(C(F)(F)F)c3)CCC2)s1 ZINC000462700230 985642737 /nfs/dbraw/zinc/64/27/37/985642737.db2.gz ANKVYSTZXQEDMT-UHFFFAOYSA-N -1 3 419.446 3.911 20 0 HHADHM COCc1c(C(=O)Nc2cc(Br)ccc2[O-])cnn1-c1ccccc1 ZINC000467999536 985647806 /nfs/dbraw/zinc/64/78/06/985647806.db2.gz CLOPRBHMCBSBIH-UHFFFAOYSA-N -1 3 402.248 3.739 20 0 HHADHM COC(=O)[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)c1ccccc1 ZINC000462721813 985668666 /nfs/dbraw/zinc/66/86/66/985668666.db2.gz NAUWTZMYWQROMC-CYBMUJFWSA-N -1 3 421.824 3.594 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](c1ccc(F)cc1F)C(C)(C)C ZINC000443501309 985673421 /nfs/dbraw/zinc/67/34/21/985673421.db2.gz OQPSSYVZWAUGFJ-KRWDZBQOSA-N -1 3 415.433 3.956 20 0 HHADHM O=C([N-]c1nnc(-c2cccc(Br)c2)s1)c1cn2ccnc2s1 ZINC000468029110 985685673 /nfs/dbraw/zinc/68/56/73/985685673.db2.gz JXJGLVSZDCBARC-UHFFFAOYSA-N -1 3 406.290 3.929 20 0 HHADHM C[C@H](Nc1ccccc1[N-]S(=O)(=O)c1ccc(-n2cnnn2)cc1)c1ccccc1 ZINC000443530026 985701843 /nfs/dbraw/zinc/70/18/43/985701843.db2.gz MUHRQZBEGNQTAW-INIZCTEOSA-N -1 3 420.498 3.636 20 0 HHADHM Cn1cc(CNCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c(C(F)F)n1 ZINC000462783515 985718091 /nfs/dbraw/zinc/71/80/91/985718091.db2.gz QCIXTQXWKBQWIX-UHFFFAOYSA-N -1 3 424.448 3.587 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C[C@H](C)Cc2cccc(F)c2)cc1OC ZINC000468073170 985730971 /nfs/dbraw/zinc/73/09/71/985730971.db2.gz AHTCDGIHHFKBJT-CQSZACIVSA-N -1 3 408.495 3.803 20 0 HHADHM CCN(C[C@@H](C)OC)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C ZINC000462853175 985778299 /nfs/dbraw/zinc/77/82/99/985778299.db2.gz GIVNJQXQLPEPTR-QGZVFWFLSA-N -1 3 404.532 3.601 20 0 HHADHM COCc1ccc([C@@H]2CCCN2C(=O)NCc2ccc([O-])c(Br)c2)o1 ZINC000468134312 985799593 /nfs/dbraw/zinc/79/95/93/985799593.db2.gz WQVMANQCMOFCRK-HNNXBMFYSA-N -1 3 409.280 3.941 20 0 HHADHM Cc1nc(-c2ccc(N[C@@H](c3nccn3C)c3ccc(F)cc3)nc2)[n-]c(=O)c1C ZINC000462919116 985852470 /nfs/dbraw/zinc/85/24/70/985852470.db2.gz MVULRIFLYFRKOA-LJQANCHMSA-N -1 3 404.449 3.935 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000463017944 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420.912 3.860 20 0 HHADHM O=C([N-]c1nnc(-c2ccccc2Cl)s1)c1cn(Cc2cccs2)nn1 ZINC000463155879 986127138 /nfs/dbraw/zinc/12/71/38/986127138.db2.gz KRQQKJIGUXPYSI-UHFFFAOYSA-N -1 3 402.892 3.812 20 0 HHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(-c2nc(-c3ncsc3Cl)no2)ccc1F ZINC000463167969 986139554 /nfs/dbraw/zinc/13/95/54/986139554.db2.gz FPNARODDXAKFLR-UHFFFAOYSA-N -1 3 416.887 3.729 20 0 HHADHM O=c1[n-]c(SCCOCC(F)(F)C(F)(F)F)nc2c1cnn2-c1ccccc1 ZINC000468446447 986143009 /nfs/dbraw/zinc/14/30/09/986143009.db2.gz DHGHOPRVUBRGNF-UHFFFAOYSA-N -1 3 420.363 3.827 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CC[C@@H](C)C2(CCCCC2)C1 ZINC000463172212 986144141 /nfs/dbraw/zinc/14/41/41/986144141.db2.gz QICXRJIVVIFVDS-QGZVFWFLSA-N -1 3 408.546 3.892 20 0 HHADHM C[C@@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)c1nnnn1C1CCCCC1 ZINC000468449435 986144858 /nfs/dbraw/zinc/14/48/58/986144858.db2.gz LILPFFKMSTYXML-CYBMUJFWSA-N -1 3 422.518 3.866 20 0 HHADHM CCOC(=O)c1n[n-]c(C2CCN(c3cc(C(C)(C)C)nc(C(C)(C)C)n3)CC2)n1 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C[C@H](Cc1ccc(O)cc1)N(C)C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000444336424 986514661 /nfs/dbraw/zinc/51/46/61/986514661.db2.gz OCJZLICPLPBYRZ-GFCCVEGCSA-N -1 3 415.287 3.699 20 0 HHADHM Cc1nn(CC(=O)NCc2ccc([O-])c(Br)c2)cc1-c1ccccc1 ZINC000444337473 986515709 /nfs/dbraw/zinc/51/57/09/986515709.db2.gz MJQJNOSOZBJCFM-UHFFFAOYSA-N -1 3 400.276 3.643 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCc2cc(C)c(O)c(C)c2)s1 ZINC000468842670 986553421 /nfs/dbraw/zinc/55/34/21/986553421.db2.gz FOSHHFCRFNPFGM-UHFFFAOYSA-N -1 3 404.351 3.662 20 0 HHADHM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cc(C)[nH]n3)cc2)cc1 ZINC000468930971 986636767 /nfs/dbraw/zinc/63/67/67/986636767.db2.gz JHJGOMKAPBFLMO-UHFFFAOYSA-N -1 3 400.460 3.660 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000468980315 986685717 /nfs/dbraw/zinc/68/57/17/986685717.db2.gz NOFGWRDMIOOLBL-KRWDZBQOSA-N -1 3 408.832 3.568 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)C(=O)Nc1cccc(C2CCC2)c1 ZINC000463804352 986795794 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/nfs/dbraw/zinc/23/33/16/987233316.db2.gz RLIRFCYEVWQGEC-UHFFFAOYSA-N -1 3 406.885 3.978 20 0 HHADHM CCOC(=O)c1nc(C2CCN(C(=O)NCC3CCC(C(C)(C)C)CC3)CC2)n[n-]1 ZINC000445212323 987280141 /nfs/dbraw/zinc/28/01/41/987280141.db2.gz JDDBZXBFBYVKES-UHFFFAOYSA-N -1 3 419.570 3.723 20 0 HHADHM CCOC(=O)c1nnc(C2CCN(C(=O)NCC3CCC(C(C)(C)C)CC3)CC2)[n-]1 ZINC000445212323 987280150 /nfs/dbraw/zinc/28/01/50/987280150.db2.gz JDDBZXBFBYVKES-UHFFFAOYSA-N -1 3 419.570 3.723 20 0 HHADHM CC(C)Nc1cc(F)ccc1NC(=O)CS(=O)(=O)[N-]c1ccc(OC(C)C)cc1 ZINC000469694876 987352232 /nfs/dbraw/zinc/35/22/32/987352232.db2.gz IWWDAKYWTKAVFF-UHFFFAOYSA-N -1 3 423.510 3.814 20 0 HHADHM CN1C(=O)C[C@H](NC(=O)CCCc2ccc([O-])c(F)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000469815270 987454140 /nfs/dbraw/zinc/45/41/40/987454140.db2.gz BZTQBBLUWPOBTR-UWJYYQICSA-N -1 3 404.869 3.596 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000469823771 987460915 /nfs/dbraw/zinc/46/09/15/987460915.db2.gz YRMPWYOOGFRBRV-ZDUSSCGKSA-N -1 3 408.832 3.568 20 0 HHADHM Cc1cc(CN2C(=O)c3ccccc3C2=O)cc(-c2nc(-c3ccoc3)no2)c1[O-] ZINC000445455326 987522712 /nfs/dbraw/zinc/52/27/12/987522712.db2.gz OTKWZIPVFMZPGV-UHFFFAOYSA-N -1 3 401.378 3.807 20 0 HHADHM Cc1cc(NC(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000469919104 987547593 /nfs/dbraw/zinc/54/75/93/987547593.db2.gz PZMGUWSSQGUVDZ-OAHLLOKOSA-N -1 3 421.288 3.550 20 0 HHADHM CC(C)Oc1ccc([N-]S(=O)(=O)Cc2nc(-c3ccc(C(C)C)nc3)no2)cc1 ZINC000445505212 987566236 /nfs/dbraw/zinc/56/62/36/987566236.db2.gz RRDVHYKQYHUCCU-UHFFFAOYSA-N -1 3 416.503 3.984 20 0 HHADHM Cc1cc(Cl)cc2cc(-c3noc(-c4cncc([N-]S(C)(=O)=O)c4)n3)oc21 ZINC000445701156 987767240 /nfs/dbraw/zinc/76/72/40/987767240.db2.gz BKIZCWGQBYPCAT-UHFFFAOYSA-N -1 3 404.835 3.878 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2cccc(-c3ncc[nH]3)c2)s1 ZINC000463857726 987964877 /nfs/dbraw/zinc/96/48/77/987964877.db2.gz GZSGEYCHHSXWSL-UHFFFAOYSA-N -1 3 412.334 3.688 20 0 HHADHM COc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)c(C)n1 ZINC000470222440 988151990 /nfs/dbraw/zinc/15/19/90/988151990.db2.gz HGHCJHSXVYCBFF-UHFFFAOYSA-N -1 3 415.446 3.591 20 0 HHADHM CC(C)Oc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)ccn1 ZINC000470371827 988334261 /nfs/dbraw/zinc/33/42/61/988334261.db2.gz BPUGHHQZBGHIGD-UHFFFAOYSA-N -1 3 417.409 3.511 20 0 HHADHM C[C@H](OCc1ccccc1)C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000470407974 988369211 /nfs/dbraw/zinc/36/92/11/988369211.db2.gz JKJTWVQQJDKMEX-HNNXBMFYSA-N -1 3 416.905 3.828 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)NCc3nnc(-c4ccccc4)s3)cc2)cc(=O)[n-]1 ZINC000470447546 988425139 /nfs/dbraw/zinc/42/51/39/988425139.db2.gz ATRKWDYSEDCENV-UHFFFAOYSA-N -1 3 418.482 3.998 20 0 HHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000464304100 988430778 /nfs/dbraw/zinc/43/07/78/988430778.db2.gz ODXXMFRUWNVVIF-ZDUSSCGKSA-N -1 3 419.268 3.722 20 0 HHADHM CC(C)Cn1cc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)cn1 ZINC000464326565 988461609 /nfs/dbraw/zinc/46/16/09/988461609.db2.gz WVAOFOFYVAJTPX-UHFFFAOYSA-N -1 3 416.478 3.731 20 0 HHADHM Cc1ccc(-n2cc(C(=O)[N-]c3nnc(Cc4cccc(Cl)c4)s3)nn2)cc1 ZINC000464341906 988487288 /nfs/dbraw/zinc/48/72/88/988487288.db2.gz YHRXWJVLXXEVAN-UHFFFAOYSA-N -1 3 410.890 3.924 20 0 HHADHM COC(=O)CCSc1ncccc1[N-]C(=O)c1sc(C(C)(C)OC)nc1C ZINC000464353157 988505122 /nfs/dbraw/zinc/50/51/22/988505122.db2.gz PJGUVSPJPCYEAJ-UHFFFAOYSA-N -1 3 409.533 3.636 20 0 HHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]Cc1ccc(C(=O)N(C)C)cc1 ZINC000470552352 988565026 /nfs/dbraw/zinc/56/50/26/988565026.db2.gz VFNZYGVUIHCYKT-UHFFFAOYSA-N -1 3 406.891 3.575 20 0 HHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H]1CCC[C@H](C(=O)NC(C)C)C1 ZINC000470630233 988643981 /nfs/dbraw/zinc/64/39/81/988643981.db2.gz YNDHMHVUELRELE-DZGCQCFKSA-N -1 3 412.939 3.756 20 0 HHADHM CC[C@@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)C1CCOCC1 ZINC000470664027 988684538 /nfs/dbraw/zinc/68/45/38/988684538.db2.gz UDQMMPCSGSJBIB-LJQANCHMSA-N -1 3 420.506 3.562 20 0 HHADHM Cn1nc(C(=O)[N-]c2nnc(C34CC5CC(CC(C5)C3)C4)s2)cc1OC(F)F ZINC000464571764 988748035 /nfs/dbraw/zinc/74/80/35/988748035.db2.gz SYNGALMDQRAJCX-UHFFFAOYSA-N -1 3 409.462 3.593 20 0 HHADHM CC[C@@H](CN(C)C(=O)Cc1c(C)nc(C)[n-]c1=O)Oc1ccc(Cl)c(Cl)c1 ZINC000470727830 988757260 /nfs/dbraw/zinc/75/72/60/988757260.db2.gz QSZZDEOZKRFPTH-ZDUSSCGKSA-N -1 3 412.317 3.964 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NC[C@@H](Cc1ccccc1)C(C)C ZINC000470737141 988772703 /nfs/dbraw/zinc/77/27/03/988772703.db2.gz NKBABSQOXORNKQ-OAQYLSRUSA-N -1 3 418.541 3.704 20 0 HHADHM CCN(C(=O)Cc1ccc(NC(=O)NCc2ncccc2[O-])cc1)c1ccccc1 ZINC000471192043 989327509 /nfs/dbraw/zinc/32/75/09/989327509.db2.gz WFEZXGRZFYCOBE-UHFFFAOYSA-N -1 3 404.470 3.705 20 0 HHADHM CO[C@@H](CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C)C(C)(C)C ZINC000465193540 989533180 /nfs/dbraw/zinc/53/31/80/989533180.db2.gz DKPZZVGEZOQDDN-FQEVSTJZSA-N -1 3 418.559 3.895 20 0 HHADHM Cc1nc(C)c(CCC(=O)Nc2ccc(N3CCCCC3)c3ncccc23)c(=O)[n-]1 ZINC000471422891 989600994 /nfs/dbraw/zinc/60/09/94/989600994.db2.gz CYZYCRDEPWLYGW-UHFFFAOYSA-N -1 3 405.502 3.909 20 0 HHADHM CCOC(=O)c1sc([C@H](C)[N-]S(=O)(=O)c2ccccc2C(F)(F)F)nc1C ZINC000465493478 989843283 /nfs/dbraw/zinc/84/32/83/989843283.db2.gz HIQUVQWIJWONAH-JTQLQIEISA-N -1 3 422.450 3.687 20 0 HHADHM CCCOc1ccc(Oc2ncccc2CNC(=O)NCc2ncccc2[O-])cc1 ZINC000471670421 989875483 /nfs/dbraw/zinc/87/54/83/989875483.db2.gz ZPDCEHYCIXFPGM-UHFFFAOYSA-N -1 3 408.458 3.763 20 0 HHADHM Cc1cc(C)n(-c2ccc(CNC(=O)NCc3ncccc3[O-])c(C(F)(F)F)c2)n1 ZINC000471729534 989925771 /nfs/dbraw/zinc/92/57/71/989925771.db2.gz WZVKNFWFMUSNGL-UHFFFAOYSA-N -1 3 419.407 3.608 20 0 HHADHM COc1ccc(-c2nc3c(s2)[C@@H](NC(=O)NCc2ncccc2[O-])CCC3)cc1 ZINC000471861392 990033467 /nfs/dbraw/zinc/03/34/67/990033467.db2.gz HFTLUDUWVFZUPZ-INIZCTEOSA-N -1 3 410.499 3.796 20 0 HHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](c2cccc(Cl)c2)c2ccccn2)s1 ZINC000471876434 990048840 /nfs/dbraw/zinc/04/88/40/990048840.db2.gz MHVUXYFHEDEFLH-QGZVFWFLSA-N -1 3 422.915 3.651 20 0 HHADHM Cc1cc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3cccc4ncccc43)n2)ccc1F ZINC000471890744 990064182 /nfs/dbraw/zinc/06/41/82/990064182.db2.gz ZNBKTORUBKQKRT-CYBMUJFWSA-N -1 3 412.446 3.772 20 0 HHADHM Cc1cc(-c2noc([C@H](C)[N-]S(=O)(=O)c3cccc4ncccc43)n2)ccc1F ZINC000471890745 990064484 /nfs/dbraw/zinc/06/44/84/990064484.db2.gz ZNBKTORUBKQKRT-ZDUSSCGKSA-N -1 3 412.446 3.772 20 0 HHADHM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc4n[nH]nc4c3)c2)c1 ZINC000471913223 990080627 /nfs/dbraw/zinc/08/06/27/990080627.db2.gz YYNJHETUJXVRBV-UHFFFAOYSA-N -1 3 421.482 3.628 20 0 HHADHM Cc1nc2c(cccc2C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)o1 ZINC000472076569 990236489 /nfs/dbraw/zinc/23/64/89/990236489.db2.gz UYKYCIVPTFGJBH-UHFFFAOYSA-N -1 3 413.377 3.779 20 0 HHADHM Cc1nc(C)c(CCC(=O)NCc2nc3c(s2)C[C@H](c2ccccc2)CC3)c(=O)[n-]1 ZINC000466236758 991465076 /nfs/dbraw/zinc/46/50/76/991465076.db2.gz AGKVWROYSOAHCQ-QGZVFWFLSA-N -1 3 422.554 3.777 20 0 HHADHM COc1ccccc1S(=O)(=O)[N-]c1cc(I)ccc1Cl ZINC000466289063 991536885 /nfs/dbraw/zinc/53/68/85/991536885.db2.gz PZRSDADMZCDBSU-UHFFFAOYSA-N -1 3 423.659 3.754 20 0 HHADHM O=S(=O)([N-][C@H]1COc2ccc(F)cc21)c1ccc(Br)cc1Cl ZINC000466541119 991846562 /nfs/dbraw/zinc/84/65/62/991846562.db2.gz IHRFEXSVKGVMPP-LBPRGKRZSA-N -1 3 406.660 3.654 20 0 HHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]Cc2c(C)oc3ccccc32)cc1Cl ZINC000466775174 992082140 /nfs/dbraw/zinc/08/21/40/992082140.db2.gz HYUXVCZZNDULRN-UHFFFAOYSA-N -1 3 410.854 3.971 20 0 HHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(CN(C)C)c(Br)c2)cc1 ZINC000466961320 992271272 /nfs/dbraw/zinc/27/12/72/992271272.db2.gz IVPPXUMQIDBWHX-UHFFFAOYSA-N -1 3 413.337 3.710 20 0 HHADHM CCn1c2ccc(S(=O)(=O)[N-]c3cc(C(F)(F)F)ccc3F)cc2oc1=O ZINC000466968665 992279887 /nfs/dbraw/zinc/27/98/87/992279887.db2.gz DWMVYIBZTXSEHQ-UHFFFAOYSA-N -1 3 404.341 3.573 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(Cl)ccc2OCC2CCC2)c(C)o1 ZINC000467047698 992356754 /nfs/dbraw/zinc/35/67/54/992356754.db2.gz QPEMFQAUOCYMMP-UHFFFAOYSA-N -1 3 412.895 3.581 20 0 HHADHM COC[C@@H]1CCCCN(Cc2nc(=O)c3sc(-c4ccc(OC)cc4)cc3[n-]2)C1 ZINC000467266851 992588972 /nfs/dbraw/zinc/58/89/72/992588972.db2.gz AFFHRNVWAPQLJN-OAHLLOKOSA-N -1 3 413.543 3.909 20 0 HHADHM O=C(NC1CC1)c1cccc(S(=O)(=O)[N-]c2ccc3nc(C4CCC4)[nH]c3c2)c1 ZINC000467398855 992707636 /nfs/dbraw/zinc/70/76/36/992707636.db2.gz BGBQYCUVPLVWMK-UHFFFAOYSA-N -1 3 410.499 3.523 20 0 HHADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC[C@H]3C)cc2C)cc1 ZINC000467427059 992726693 /nfs/dbraw/zinc/72/66/93/992726693.db2.gz DIWUZRHLVHWSQP-MRXNPFEDSA-N -1 3 402.516 3.961 20 0 HHADHM Cc1cc(N2CCCC[C@@H]2C)ccc1[N-]S(=O)(=O)c1cccc(C(=O)N(C)C)c1 ZINC000467429094 992728892 /nfs/dbraw/zinc/72/88/92/992728892.db2.gz VDQXVVLMVQXQRD-KRWDZBQOSA-N -1 3 415.559 3.876 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3[C@H](C)CC[C@H]3C)c2)cc1 ZINC000467496700 992782075 /nfs/dbraw/zinc/78/20/75/992782075.db2.gz XVLLLOIRAFBIJS-HZPDHXFCSA-N -1 3 402.516 3.817 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C2(Cc3ccccc3F)CC2)cc1OC ZINC000467739079 992989194 /nfs/dbraw/zinc/98/91/94/992989194.db2.gz BXGOMEHMMORRTP-UHFFFAOYSA-N -1 3 406.479 3.557 20 0 HHADHM CSCCCN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C ZINC000467781542 993019837 /nfs/dbraw/zinc/01/98/37/993019837.db2.gz AESDYLHLZWDKOL-UHFFFAOYSA-N -1 3 406.573 3.929 20 0 HHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc(-c3ccncc3)cc2)s1 ZINC000467791402 993026981 /nfs/dbraw/zinc/02/69/81/993026981.db2.gz ZTMXIKSJKHNDRG-ZDUSSCGKSA-N -1 3 402.497 3.636 20 0 HHADHM CC[C@H]1CN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)ccc2C)CCCO1 ZINC000467805720 993039356 /nfs/dbraw/zinc/03/93/56/993039356.db2.gz OCWCCPJNOPTVAS-IBGZPJMESA-N -1 3 416.543 3.745 20 0 HHADHM COc1cccc(N2CC[C@@H](C[N-]S(=O)(=O)c3oc4ccc(F)cc4c3C)C2)c1 ZINC000472102830 993152717 /nfs/dbraw/zinc/15/27/17/993152717.db2.gz WZUVUNNIGVNXKE-HNNXBMFYSA-N -1 3 418.490 3.694 20 0 HHADHM Cc1ccsc1-c1nsc(NC([O-])=C(c2ccccc2)N2CCCCC2=O)n1 ZINC000472257583 993283416 /nfs/dbraw/zinc/28/34/16/993283416.db2.gz MMEADMILXFVXQD-INIZCTEOSA-N -1 3 412.540 3.689 20 0 HHADHM CCOc1ccc(-c2nc(CC)c(C(=O)Nc3c(C)[nH]c(=O)[n-]c3=O)s2)cc1 ZINC000472260821 993285792 /nfs/dbraw/zinc/28/57/92/993285792.db2.gz OMTCPAYZCGSGGL-UHFFFAOYSA-N -1 3 400.460 3.533 20 0 HHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](C)c1noc(Cc2ccccc2)n1 ZINC000472321032 993331914 /nfs/dbraw/zinc/33/19/14/993331914.db2.gz PPLZLRLREUOFHS-ZDUSSCGKSA-N -1 3 415.446 3.894 20 0 HHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](c1nnc2ccccn21)C(C)C ZINC000472331372 993340633 /nfs/dbraw/zinc/34/06/33/993340633.db2.gz XRVKTQFCSRTBHD-KRWDZBQOSA-N -1 3 402.451 3.599 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N(C)Cc2cc3ccccc3o2)cc1OC ZINC000472703208 993625551 /nfs/dbraw/zinc/62/55/51/993625551.db2.gz JMOONCBUWOKNBL-UHFFFAOYSA-N -1 3 417.487 3.867 20 0 HHADHM C[C@H](O)[C@](C)(C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)Cc1ccccc1 ZINC000480775321 993640678 /nfs/dbraw/zinc/64/06/78/993640678.db2.gz OVTNARDHEFZVLP-UGSOOPFHSA-N -1 3 419.440 3.753 20 0 HHADHM CCc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)Cc3ccc(C)cc3F)n2)cc1 ZINC000480798092 993667787 /nfs/dbraw/zinc/66/77/87/993667787.db2.gz SWNDMTYMRXECSQ-CQSZACIVSA-N -1 3 403.479 3.927 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C(C)(C)c1cccc(Cl)c1F ZINC000472753040 993688967 /nfs/dbraw/zinc/68/89/67/993688967.db2.gz PNQVKSBPDZTEOM-UHFFFAOYSA-N -1 3 403.834 3.618 20 0 HHADHM O=S(=O)([N-][C@@H]1CCCc2c(O)cccc21)c1cc(F)ccc1Br ZINC000480845445 993719532 /nfs/dbraw/zinc/71/95/32/993719532.db2.gz QLNJMELUXOGQQW-CQSZACIVSA-N -1 3 400.269 3.650 20 0 HHADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCCc3c(O)cccc32)sc1Br ZINC000480864646 993735978 /nfs/dbraw/zinc/73/59/78/993735978.db2.gz IMHWGRMNFAQORA-LBPRGKRZSA-N -1 3 402.335 3.881 20 0 HHADHM C[C@H]([N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)Nc1ccccc1 ZINC000480891629 993750409 /nfs/dbraw/zinc/75/04/09/993750409.db2.gz IVAPUEZJNSABFZ-LBPRGKRZSA-N -1 3 421.931 3.769 20 0 HHADHM CCc1cnc(C[N-]S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1 ZINC000480931697 993781766 /nfs/dbraw/zinc/78/17/66/993781766.db2.gz PMGDPZANQREBAT-UHFFFAOYSA-N -1 3 402.316 3.753 20 0 HHADHM CCN(C(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O)c1ccc2[nH]ccc2c1 ZINC000472972930 993907557 /nfs/dbraw/zinc/90/75/57/993907557.db2.gz ALWLXYMJBREYKO-UHFFFAOYSA-N -1 3 401.470 3.607 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000481130254 993965183 /nfs/dbraw/zinc/96/51/83/993965183.db2.gz YVWXKIQDGFHNHE-UHFFFAOYSA-N -1 3 420.182 3.638 20 0 HHADHM COc1c(=O)[n-]c(=O)[nH]c1C(=O)Nc1ccc(N[C@@H](C)c2ccccc2)c(Cl)c1 ZINC000473305344 994163848 /nfs/dbraw/zinc/16/38/48/994163848.db2.gz KMSWJRSMQILWAI-NSHDSACASA-N -1 3 414.849 3.975 20 0 HHADHM Cc1cccc(F)c1S(=O)(=O)[N-][C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000481491942 994325462 /nfs/dbraw/zinc/32/54/62/994325462.db2.gz JSRANBLUMYWTKX-CQSZACIVSA-N -1 3 411.804 3.818 20 0 HHADHM C[C@@H](Oc1cccnc1NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccccc1 ZINC000481531069 994361812 /nfs/dbraw/zinc/36/18/12/994361812.db2.gz RLWDAXUZERTZJN-LLVKDONJSA-N -1 3 406.368 3.680 20 0 HHADHM O=C(Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)NCc1ncccc1[O-] ZINC000473633209 994513329 /nfs/dbraw/zinc/51/33/29/994513329.db2.gz GWAZGWSCSYXMCK-UHFFFAOYSA-N -1 3 401.422 3.645 20 0 HHADHM O=C(NCc1ncccc1[O-])[C@H](Oc1cccc(Br)c1)c1ccccc1 ZINC000473636394 994517702 /nfs/dbraw/zinc/51/77/02/994517702.db2.gz FHUXLPCPXKSIQI-LJQANCHMSA-N -1 3 413.271 3.986 20 0 HHADHM CC(C)(C)N1C(=O)C[C@H](C(=O)NCc2ncccc2[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000473639719 994521310 /nfs/dbraw/zinc/52/13/10/994521310.db2.gz QXONCJDDGCFPSR-ORAYPTAESA-N -1 3 419.884 3.584 20 0 HHADHM CC(=O)NCc1ccc(-c2csc([N-]C(=O)c3c(F)c(F)cc(F)c3F)n2)o1 ZINC000481767634 994618850 /nfs/dbraw/zinc/61/88/50/994618850.db2.gz PAYPXQHHURUDOY-UHFFFAOYSA-N -1 3 413.352 3.848 20 0 HHADHM CC(=O)c1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)c1 ZINC000481799210 994647206 /nfs/dbraw/zinc/64/72/06/994647206.db2.gz HAAWXHGWKIAEDI-UHFFFAOYSA-N -1 3 400.378 3.532 20 0 HHADHM O=S(=O)([N-]c1cc([C@@H]2CCCOC2)n[nH]1)c1ccc(OCc2ccccc2)cc1 ZINC000481850173 994706894 /nfs/dbraw/zinc/70/68/94/994706894.db2.gz UUVPYGDZCFUKCV-QGZVFWFLSA-N -1 3 413.499 3.684 20 0 HHADHM Cc1nn(-c2ccc(Br)cc2)cc1C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000481854480 994711080 /nfs/dbraw/zinc/71/10/80/994711080.db2.gz GLUPEQXAPLDZEO-UHFFFAOYSA-N -1 3 413.235 3.574 20 0 HHADHM CC(=O)N1CCCc2ccc(S(=O)(=O)[N-]c3ccc(CN(C)C)c(Cl)c3)cc21 ZINC000481870863 994733524 /nfs/dbraw/zinc/73/35/24/994733524.db2.gz QZYQTZREHCTGKI-UHFFFAOYSA-N -1 3 421.950 3.502 20 0 HHADHM CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)[N-]c3c(CC)cc(C)cc3CC)ccc2O1 ZINC000481882103 994746481 /nfs/dbraw/zinc/74/64/81/994746481.db2.gz BMJNINPCNWNOHR-FQEVSTJZSA-N -1 3 417.527 3.787 20 0 HHADHM Cc1ccsc1-c1nc(=NC(=O)N(CCN(C)C)Cc2cccs2)s[n-]1 ZINC000473839307 994774861 /nfs/dbraw/zinc/77/48/61/994774861.db2.gz HBBYGZSJDRVYAF-UHFFFAOYSA-N -1 3 407.590 3.654 20 0 HHADHM COc1cccc(N2CC[C@H](C[N-]S(=O)(=O)c3cc(C)c(Cl)s3)C2)c1 ZINC000473852879 994789338 /nfs/dbraw/zinc/78/93/38/994789338.db2.gz CDMFXWVZAXPRCR-CYBMUJFWSA-N -1 3 400.953 3.523 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]CC2CCN(Cc3nc(C)c(C)o3)CC2)sc1Cl ZINC000473858270 994795062 /nfs/dbraw/zinc/79/50/62/994795062.db2.gz VALGPKUNRPTLLY-UHFFFAOYSA-N -1 3 417.984 3.505 20 0 HHADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)F)cc2)cc1Cl ZINC000481947138 994827191 /nfs/dbraw/zinc/82/71/91/994827191.db2.gz MLWFYLJDPXJHEZ-UHFFFAOYSA-N -1 3 404.822 3.743 20 0 HHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000482054737 994982839 /nfs/dbraw/zinc/98/28/39/994982839.db2.gz JMCNZBXOIZHUFQ-OAHLLOKOSA-N -1 3 408.424 3.532 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2Cc3ccccc3C3(CC3)C2)c1 ZINC000482170040 995129132 /nfs/dbraw/zinc/12/91/32/995129132.db2.gz LUKBWFROVSDQBT-UHFFFAOYSA-N -1 3 403.438 3.629 20 0 HHADHM Cc1cc2cc(C(=O)NCc3nc(C(F)(F)F)n[n-]3)oc2c(Br)c1 ZINC000482207314 995190875 /nfs/dbraw/zinc/19/08/75/995190875.db2.gz DBJAOXNOSZPTRT-UHFFFAOYSA-N -1 3 403.158 3.571 20 0 HHADHM CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)NCc2nc(C(F)(F)F)n[n-]2)c1 ZINC000482231420 995214501 /nfs/dbraw/zinc/21/45/01/995214501.db2.gz NLFBKEPDJAOASM-UHFFFAOYSA-N -1 3 417.819 3.782 20 0 HHADHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H](C)c2ccc(-c3cccnc3)cc2)c1 ZINC000474220722 995215398 /nfs/dbraw/zinc/21/53/98/995215398.db2.gz WTCRHIQDJTUGQH-ZDUSSCGKSA-N -1 3 402.497 3.636 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1cccc(-n2nccc2-c2ccccc2)c1 ZINC000482232910 995215894 /nfs/dbraw/zinc/21/58/94/995215894.db2.gz CZFPSCOFBWWCBW-UHFFFAOYSA-N -1 3 412.375 3.606 20 0 HHADHM C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000482234493 995217199 /nfs/dbraw/zinc/21/71/99/995217199.db2.gz MTYIMHSWPRLRIH-CJNGLKHVSA-N -1 3 407.511 3.899 20 0 HHADHM Cc1c(C(=O)N2CCCO2)sc2[n-]c(CSc3cc(C)ccc3C)nc(=O)c12 ZINC000474226518 995221917 /nfs/dbraw/zinc/22/19/17/995221917.db2.gz BNVOKFMDZSPRQP-UHFFFAOYSA-N -1 3 415.540 3.980 20 0 HHADHM CC(C)c1noc2nc(-c3ccco3)cc(C(=O)NCc3nc(C(F)(F)F)n[n-]3)c21 ZINC000482239777 995222221 /nfs/dbraw/zinc/22/22/21/995222221.db2.gz FRMSJJSVPOJWCK-UHFFFAOYSA-N -1 3 420.351 3.673 20 0 HHADHM Cc1cc(Br)cc2c(C(=O)Nc3ccc(Cc4nnn[n-]4)cc3)coc21 ZINC000474267204 995264765 /nfs/dbraw/zinc/26/47/65/995264765.db2.gz OVKFEWOIECREFU-UHFFFAOYSA-N -1 3 412.247 3.860 20 0 HHADHM Cc1cc(Br)cc2c(C(=O)Nc3ccc(Cc4nn[n-]n4)cc3)coc21 ZINC000474267204 995264774 /nfs/dbraw/zinc/26/47/74/995264774.db2.gz OVKFEWOIECREFU-UHFFFAOYSA-N -1 3 412.247 3.860 20 0 HHADHM COc1ccc(CC[C@H](C)NC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000482482770 995489427 /nfs/dbraw/zinc/48/94/27/995489427.db2.gz RQNHNATWTWWOTF-ZDUSSCGKSA-N -1 3 407.308 3.984 20 0 HHADHM CCCOc1cn(-c2ccccc2)nc1C(=O)[N-]c1cc(C(=O)OC)c(F)cc1F ZINC000482512163 995522415 /nfs/dbraw/zinc/52/24/15/995522415.db2.gz ZOENIACWROPFQL-UHFFFAOYSA-N -1 3 415.396 3.978 20 0 HHADHM Cn1ncc2c1ncc(C(=O)N1CCSC[C@H]1c1cccc(C(F)(F)F)c1)c2[O-] ZINC000474654561 995599671 /nfs/dbraw/zinc/59/96/71/995599671.db2.gz XCISCGQLSQRCJS-HNNXBMFYSA-N -1 3 422.432 3.623 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)NC[C@@H]1CCO[C@H]1c1ccccc1 ZINC000482619008 995615303 /nfs/dbraw/zinc/61/53/03/995615303.db2.gz TZPGFEBKJZNBCT-YJBOKZPZSA-N -1 3 405.292 3.732 20 0 HHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCCc1cc(Br)ccc1F ZINC000474828606 995734867 /nfs/dbraw/zinc/73/48/67/995734867.db2.gz FSHFXFYERHEAQM-UHFFFAOYSA-N -1 3 410.287 3.662 20 0 HHADHM CCCN(CC(C)(C)O)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C ZINC000474842780 995746051 /nfs/dbraw/zinc/74/60/51/995746051.db2.gz BKYWOJOWJPQMEU-UHFFFAOYSA-N -1 3 418.559 3.727 20 0 HHADHM CCc1ccc([O-])c(C(=O)N(C)Cc2cn(-c3cccc(Br)c3)nn2)c1 ZINC000482854160 995793398 /nfs/dbraw/zinc/79/33/98/995793398.db2.gz FFFNPHCHIAFLHS-UHFFFAOYSA-N -1 3 415.291 3.570 20 0 HHADHM CSc1ccc(NC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)cc1Cl ZINC000474915466 995798588 /nfs/dbraw/zinc/79/85/88/995798588.db2.gz KKPGVRQOAGDRRE-UHFFFAOYSA-N -1 3 400.891 3.697 20 0 HHADHM COc1ccccc1Oc1ccc(CNC(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000483019605 995923562 /nfs/dbraw/zinc/92/35/62/995923562.db2.gz LVOJPSGKRVVFHL-UHFFFAOYSA-N -1 3 421.379 3.624 20 0 HHADHM Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483081617 995959761 /nfs/dbraw/zinc/95/97/61/995959761.db2.gz IGVYRPKHNJKSLZ-ZDUSSCGKSA-N -1 3 409.437 3.977 20 0 HHADHM C[C@@H](CCNC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1cccc(C(F)(F)F)c1 ZINC000483102213 995975438 /nfs/dbraw/zinc/97/54/38/995975438.db2.gz IOJPMLXGNURTLF-VIFPVBQESA-N -1 3 409.334 3.835 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CN[C@@H](C)c3cncs3)c2)cc1 ZINC000483143508 996000229 /nfs/dbraw/zinc/00/02/29/996000229.db2.gz KQVUTVSDBAINRK-AWEZNQCLSA-N -1 3 403.529 3.803 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)NCc1ccc(Sc2ccccc2)cc1 ZINC000483195761 996030889 /nfs/dbraw/zinc/03/08/89/996030889.db2.gz MKOPMBUNVWRKGI-UHFFFAOYSA-N -1 3 407.421 3.974 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000483234051 996051649 /nfs/dbraw/zinc/05/16/49/996051649.db2.gz VRRSPASIEHBFOF-CMPLNLGQSA-N -1 3 421.345 3.978 20 0 HHADHM Cc1cc(C)c(C(=O)Nc2n[n-]c(-c3ccco3)n2)cc1I ZINC000475596879 996238199 /nfs/dbraw/zinc/23/81/99/996238199.db2.gz TVAMFIJWQPNHML-UHFFFAOYSA-N -1 3 408.199 3.538 20 0 HHADHM COc1ccc(CN(Cc2ccccc2)C(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000483542183 996241592 /nfs/dbraw/zinc/24/15/92/996241592.db2.gz JQUABFTXBHSNMM-UHFFFAOYSA-N -1 3 419.407 3.744 20 0 HHADHM Cc1cc(N2CCN(C)CC2)ccc1[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000483556509 996248826 /nfs/dbraw/zinc/24/88/26/996248826.db2.gz NQRSNOZZVZYTLF-UHFFFAOYSA-N -1 3 420.387 3.916 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CCC[C@H]1c1cccc(Br)c1 ZINC000483565830 996254720 /nfs/dbraw/zinc/25/47/20/996254720.db2.gz KNYJYDBIOOGFOR-NSHDSACASA-N -1 3 418.217 3.633 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000483566851 996255073 /nfs/dbraw/zinc/25/50/73/996255073.db2.gz LZWPDMXWKJMFGT-UHFFFAOYSA-N -1 3 419.860 3.943 20 0 HHADHM Cc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(COCC(F)(F)F)cc2)cc1F ZINC000475740976 996339814 /nfs/dbraw/zinc/33/98/14/996339814.db2.gz VQMKAQGBOGXLQK-UHFFFAOYSA-N -1 3 409.376 3.831 20 0 HHADHM CCOC(=O)c1cc2cc(S(=O)(=O)[N-]c3c(F)cccc3CO)ccc2s1 ZINC000475798346 996377790 /nfs/dbraw/zinc/37/77/90/996377790.db2.gz NXOXDJMVMYCTEY-UHFFFAOYSA-N -1 3 409.460 3.510 20 0 HHADHM CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)c1 ZINC000475828528 996397791 /nfs/dbraw/zinc/39/77/91/996397791.db2.gz FHVVHLWUCSUVNR-UHFFFAOYSA-N -1 3 415.254 3.821 20 0 HHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(-c3ccccc3)ccc2Cl)cn1C ZINC000475836594 996405272 /nfs/dbraw/zinc/40/52/72/996405272.db2.gz UGZPWGHDEQAOOW-UHFFFAOYSA-N -1 3 404.875 3.933 20 0 HHADHM CC[C@@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000484080175 996558540 /nfs/dbraw/zinc/55/85/40/996558540.db2.gz QQCABDUMNAZDKG-ABAIWWIYSA-N -1 3 401.854 3.501 20 0 HHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000476136429 996625962 /nfs/dbraw/zinc/62/59/62/996625962.db2.gz FMYCZVDYEGALSW-VIFPVBQESA-N -1 3 400.303 3.681 20 0 HHADHM CCN(c1cccc2ccccc21)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000476354265 996774429 /nfs/dbraw/zinc/77/44/29/996774429.db2.gz SLZHEVBGYAZJLI-UHFFFAOYSA-N -1 3 422.503 3.566 20 0 HHADHM O=S(=O)([N-]Cc1csc(-c2ccco2)n1)c1ccc(Br)cc1F ZINC000476398761 996854616 /nfs/dbraw/zinc/85/46/16/996854616.db2.gz RASNFCVDXJBPMX-UHFFFAOYSA-N -1 3 417.281 3.783 20 0 HHADHM Cc1cccc(C(C)C)c1NC(=O)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000484524896 996856459 /nfs/dbraw/zinc/85/64/59/996856459.db2.gz KAOZDHCUYBXHLA-UHFFFAOYSA-N -1 3 405.292 3.841 20 0 HHADHM CC(C)(C)c1ccccc1NC(=O)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000484534074 996865516 /nfs/dbraw/zinc/86/55/16/996865516.db2.gz RFVIKCFYKNPNKV-UHFFFAOYSA-N -1 3 405.292 3.707 20 0 HHADHM COC(=O)c1cnc(SCc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)[n-]1 ZINC000484554746 996887499 /nfs/dbraw/zinc/88/74/99/996887499.db2.gz CCKQRMCZHSQSHO-UHFFFAOYSA-N -1 3 402.497 3.630 20 0 HHADHM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(O[C@H]3CCCC[C@H]3O)cc2)cc1 ZINC000484611743 996944063 /nfs/dbraw/zinc/94/40/63/996944063.db2.gz DQWJDGJOCNDIPE-UXHICEINSA-N -1 3 418.515 3.518 20 0 HHADHM O=S(=O)([N-][C@H](c1ccccc1)[C@H]1CCOC1)c1ccc(Br)cc1F ZINC000476523166 997012398 /nfs/dbraw/zinc/01/23/98/997012398.db2.gz DPBJBPOIXFPPAW-SUMWQHHRSA-N -1 3 414.296 3.644 20 0 HHADHM CCCCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)C1(C)C ZINC000484777706 997125383 /nfs/dbraw/zinc/12/53/83/997125383.db2.gz AOLMZBKRKHLUIY-IAGOWNOFSA-N -1 3 420.934 3.700 20 0 HHADHM CC1(C)CN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)[C@H]1c1ccncc1 ZINC000476630599 997153637 /nfs/dbraw/zinc/15/36/37/997153637.db2.gz SRDSYRABHZKXHB-SFHVURJKSA-N -1 3 412.287 3.909 20 0 HHADHM COC(=O)c1ccc(C(=O)[N-]c2nnc(Cc3cccc(Cl)c3)s2)c(F)c1 ZINC000476676689 997215695 /nfs/dbraw/zinc/21/56/95/997215695.db2.gz TWFMGKZUMCMQMS-UHFFFAOYSA-N -1 3 405.838 3.960 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NC1(c2ccc(Cl)cc2)CC1 ZINC000484906957 997279106 /nfs/dbraw/zinc/27/91/06/997279106.db2.gz OPHYTEGRDRXNND-UHFFFAOYSA-N -1 3 408.889 3.532 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC(C)(C)[C@H]2c2ccncc2)c1 ZINC000476787351 997341155 /nfs/dbraw/zinc/34/11/55/997341155.db2.gz IEGYSPFRTAMGPW-LJQANCHMSA-N -1 3 406.442 3.559 20 0 HHADHM Cc1nc(C)c(CCC(=O)N(Cc2ccc3c(c2)OCO3)C2CCCCC2)c(=O)[n-]1 ZINC000476862034 997433697 /nfs/dbraw/zinc/43/36/97/997433697.db2.gz NRYARLLIIHKXMZ-UHFFFAOYSA-N -1 3 411.502 3.822 20 0 HHADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1ccc2c(c1)NC(=O)CCS2 ZINC000485092837 997467893 /nfs/dbraw/zinc/46/78/93/997467893.db2.gz IMPDJTJAOUWVGE-UHFFFAOYSA-N -1 3 405.439 3.905 20 0 HHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1ccc2c(c1)NC(=O)CCS2 ZINC000485092837 997467895 /nfs/dbraw/zinc/46/78/95/997467895.db2.gz IMPDJTJAOUWVGE-UHFFFAOYSA-N -1 3 405.439 3.905 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N3CCC[C@H](C(C)(C)C)C3)c2)n1 ZINC000485093514 997468929 /nfs/dbraw/zinc/46/89/29/997468929.db2.gz OMCJRTMVYZVYHS-INIZCTEOSA-N -1 3 410.518 3.635 20 0 HHADHM Cc1ccc(C(=O)C2CCN(C(=O)c3c[n-]c4c(F)cc(F)cc4c3=O)CC2)cc1 ZINC000485115571 997499389 /nfs/dbraw/zinc/49/93/89/997499389.db2.gz CPWUDPKTADRSSB-UHFFFAOYSA-N -1 3 410.420 3.850 20 0 HHADHM CC(=O)N(CCC(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1)Cc1ccccc1 ZINC000485124232 997507859 /nfs/dbraw/zinc/50/78/59/997507859.db2.gz ARIJRTLQBHILRR-UHFFFAOYSA-N -1 3 403.442 3.595 20 0 HHADHM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc3c(cc2Cl)OCCO3)c(Cl)c1 ZINC000485146856 997530834 /nfs/dbraw/zinc/53/08/34/997530834.db2.gz QNFFQCVSPQAPCF-UHFFFAOYSA-N -1 3 417.270 3.524 20 0 HHADHM COc1cccc(N2CC[C@@H]([N-]S(=O)(=O)c3c(Cl)cccc3Cl)C2)c1 ZINC000476959633 997576186 /nfs/dbraw/zinc/57/61/86/997576186.db2.gz VCRRPFVEXBIOQK-GFCCVEGCSA-N -1 3 401.315 3.559 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC(C)(C)O)cc2)cc1C(F)(F)F ZINC000485254806 997644589 /nfs/dbraw/zinc/64/45/89/997644589.db2.gz QISITCVGIRXDPK-UHFFFAOYSA-N -1 3 403.422 3.964 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC(C)(C)O)cc2)cc1Br ZINC000485258098 997650534 /nfs/dbraw/zinc/65/05/34/997650534.db2.gz GFUUSEHONDHEGD-UHFFFAOYSA-N -1 3 414.321 3.708 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)[C@H](C)C3CC3)c2)cc1 ZINC000477210073 997882370 /nfs/dbraw/zinc/88/23/70/997882370.db2.gz VSVHKQUKOIHKOP-CQSZACIVSA-N -1 3 418.515 3.879 20 0 HHADHM CCOC(=O)c1cnc(C)c([N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)c1 ZINC000485445577 997887239 /nfs/dbraw/zinc/88/72/39/997887239.db2.gz UXHGFXSWXOZAEU-UHFFFAOYSA-N -1 3 402.394 3.527 20 0 HHADHM CCc1cc(=O)[n-]c(CS[C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)n1 ZINC000477361326 998050061 /nfs/dbraw/zinc/05/00/61/998050061.db2.gz ZHGRZIBXIFXHFW-LBPRGKRZSA-N -1 3 424.364 3.787 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@@H]1CCCN(c2ccccc2)C1 ZINC000485758572 998230941 /nfs/dbraw/zinc/23/09/41/998230941.db2.gz MNGMZNDXQFEEGN-OAHLLOKOSA-N -1 3 404.308 3.623 20 0 HHADHM CC(C)(C)OCc1cc(C[N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)no1 ZINC000485935427 998381422 /nfs/dbraw/zinc/38/14/22/998381422.db2.gz VPAUJLHOHNMESW-UHFFFAOYSA-N -1 3 410.389 3.626 20 0 HHADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H](c1ccccc1)C(F)(F)F ZINC000485948848 998392755 /nfs/dbraw/zinc/39/27/55/998392755.db2.gz DHZBSKIWDOOSTR-AWEZNQCLSA-N -1 3 421.824 3.751 20 0 HHADHM Cn1c(CNC(=O)NCc2ccc([O-])c(Br)c2)nc2cccc(Cl)c21 ZINC000477732051 998465385 /nfs/dbraw/zinc/46/53/85/998465385.db2.gz PZIQNEUMLWWIPT-UHFFFAOYSA-N -1 3 423.698 3.694 20 0 HHADHM CO[C@H](CNC(=O)NCc1ccc([O-])c(Br)c1)c1cccc(Cl)c1 ZINC000486099136 998547032 /nfs/dbraw/zinc/54/70/32/998547032.db2.gz JBOKEPDNYAPCDQ-MRXNPFEDSA-N -1 3 413.699 3.995 20 0 HHADHM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1nc(-c2cc(Br)cs2)no1 ZINC000477863888 998614883 /nfs/dbraw/zinc/61/48/83/998614883.db2.gz PKEHKJZBYRNUNA-USWWRNFRSA-N -1 3 412.309 3.778 20 0 HHADHM COC(=O)c1cc(F)cc([N-]C(=O)c2csc(-c3ccc4c(c3)OCO4)n2)c1F ZINC000478059104 998741745 /nfs/dbraw/zinc/74/17/45/998741745.db2.gz NCRRYCOQYPGLNP-UHFFFAOYSA-N -1 3 418.377 3.856 20 0 HHADHM O=C(Nc1ccc2nccnc2c1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000486420505 998758706 /nfs/dbraw/zinc/75/87/06/998758706.db2.gz FEMWZTMPVCOINY-UHFFFAOYSA-N -1 3 422.441 3.822 20 0 HHADHM COC(=O)c1cc(F)cc([N-]C(=O)c2cc3c(C(F)F)nn(C)c3s2)c1F ZINC000478099798 998760327 /nfs/dbraw/zinc/76/03/27/998760327.db2.gz FDUHHYOKNZFGEN-UHFFFAOYSA-N -1 3 401.341 3.890 20 0 HHADHM Cc1ccc([C@H](CN2CCOCC2)Nc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)cc1 ZINC000486452843 998776829 /nfs/dbraw/zinc/77/68/29/998776829.db2.gz RNESTROLZQLLKI-NRFANRHFSA-N -1 3 419.529 3.655 20 0 HHADHM O=S(=O)([N-]c1cc(F)cc(Br)c1F)c1ccc2c(c1)OCCCO2 ZINC000486570127 998832448 /nfs/dbraw/zinc/83/24/48/998832448.db2.gz CGCGPWOVWUGEDR-UHFFFAOYSA-N -1 3 420.231 3.689 20 0 HHADHM Cc1nc(C)c(CCC(=O)Nc2cc(Br)ccc2N2CCCC2)c(=O)[n-]1 ZINC000478231706 998836102 /nfs/dbraw/zinc/83/61/02/998836102.db2.gz PDZURWVWHSEXOA-UHFFFAOYSA-N -1 3 419.323 3.733 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000486646153 998873681 /nfs/dbraw/zinc/87/36/81/998873681.db2.gz PKNQPRCXTZRXDX-HNNXBMFYSA-N -1 3 419.275 3.930 20 0 HHADHM CC[C@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)c(OC)cc2Cl)n[nH]1 ZINC000486647713 998874462 /nfs/dbraw/zinc/87/44/62/998874462.db2.gz CDCDMJGCPBOFIH-DTWKUNHWSA-N -1 3 407.323 3.673 20 0 HHADHM Cn1cc([C@H](NCc2nc3c4ccccc4oc3c(=O)[n-]2)c2ccc(F)cc2)cn1 ZINC000478316973 998883353 /nfs/dbraw/zinc/88/33/53/998883353.db2.gz YNLAAMFCVCAOPV-LJQANCHMSA-N -1 3 403.417 3.833 20 0 HHADHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)[C@@H](C)CO)c2)cc1 ZINC000486808333 998949279 /nfs/dbraw/zinc/94/92/79/998949279.db2.gz CMFLCKLTUZXNGF-KRWDZBQOSA-N -1 3 418.559 3.591 20 0 HHADHM O=S(=O)([N-]Cc1nc(-c2ccccc2F)cs1)c1cc(F)c(F)c(F)c1 ZINC000486856695 998976150 /nfs/dbraw/zinc/97/61/50/998976150.db2.gz XPGAEKJFWBHXAP-UHFFFAOYSA-N -1 3 402.394 3.845 20 0 HHADHM COc1ccc(-n2c(S[C@H](C)c3nc(C)cc(=O)[n-]3)nnc2-c2ccncc2)cc1 ZINC000487194790 999093678 /nfs/dbraw/zinc/09/36/78/999093678.db2.gz DHEVTFDDDMWRJA-CQSZACIVSA-N -1 3 420.498 3.995 20 0 HHADHM COC(=O)c1cc(F)cc([N-]S(=O)(=O)c2cc(C(C)C)c(OC)cc2C)c1F ZINC000478702466 999096583 /nfs/dbraw/zinc/09/65/83/999096583.db2.gz XNKDZZLLDXGINL-UHFFFAOYSA-N -1 3 413.442 3.993 20 0 HHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NC[C@@H](c1ccccc1)C(F)(F)F ZINC000487268820 999118912 /nfs/dbraw/zinc/11/89/12/999118912.db2.gz HHAMQHDSKHBMTD-KRWDZBQOSA-N -1 3 416.403 3.557 20 0 HHADHM COc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000487280438 999122679 /nfs/dbraw/zinc/12/26/79/999122679.db2.gz XPKUQQHSJWWHKM-XOBRGWDASA-N -1 3 413.861 3.956 20 0 HHADHM Cc1ccc(NC(=O)[C@@H]2CCC(=O)[C@@H](C)C2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000479077311 999283268 /nfs/dbraw/zinc/28/32/68/999283268.db2.gz IVCKRWQBLPKCMJ-LSDHHAIUSA-N -1 3 418.490 3.879 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCC[C@H]1c1cccc(Cl)c1 ZINC000487800848 999293852 /nfs/dbraw/zinc/29/38/52/999293852.db2.gz DXXANNGQDHHIBB-IBGZPJMESA-N -1 3 408.889 3.700 20 0 HHADHM Cc1ccc(-c2nc(NC(=O)c3cc(I)ccc3C)n[n-]2)o1 ZINC000479455168 999425209 /nfs/dbraw/zinc/42/52/09/999425209.db2.gz RKIRCBDOKHXSPW-UHFFFAOYSA-N -1 3 408.199 3.538 20 0 HHADHM Cc1ccc(-c2nc(NC(=O)[C@H]3CCCN(c4ncccc4C(F)(F)F)C3)n[n-]2)o1 ZINC000479468216 999430816 /nfs/dbraw/zinc/43/08/16/999430816.db2.gz AIRWIKXPPVFLFM-LBPRGKRZSA-N -1 3 420.395 3.642 20 0 HHADHM COC(=O)c1cc(Cl)c([N-]S(=O)(=O)c2ccc3ncsc3c2)cc1OC ZINC000479490558 999441450 /nfs/dbraw/zinc/44/14/50/999441450.db2.gz PEZGCSBQKDMUOK-UHFFFAOYSA-N -1 3 412.876 3.546 20 0 HHADHM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCN3C(=O)COC)cc1 ZINC000488360472 999456331 /nfs/dbraw/zinc/45/63/31/999456331.db2.gz CNLRSTWXVQASQA-UHFFFAOYSA-N -1 3 416.543 3.711 20 0 HHADHM Cc1cc([N-]S(=O)(=O)c2ccc3ncsc3c2)ccc1-n1nnnc1C(C)C ZINC000479558385 999476742 /nfs/dbraw/zinc/47/67/42/999476742.db2.gz OJNSTYUAPMWWAJ-UHFFFAOYSA-N -1 3 414.516 3.505 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)OC(C)C)ccc2Cl)c(F)c1 ZINC000479623615 999506037 /nfs/dbraw/zinc/50/60/37/999506037.db2.gz YTZVDQUPWRFASX-UHFFFAOYSA-N -1 3 401.843 3.854 20 0 HHADHM O=S(=O)([N-][C@H]1CCN(c2ccc(Br)cc2)C1)c1ccc(Cl)s1 ZINC000488647897 999557459 /nfs/dbraw/zinc/55/74/59/999557459.db2.gz TZIXVPSWHZEYOZ-NSHDSACASA-N -1 3 421.769 3.721 20 0 HHADHM O=C(Cc1csc(-c2ccccn2)n1)NCc1ccc([O-])c(Br)c1 ZINC000488663982 999563521 /nfs/dbraw/zinc/56/35/21/999563521.db2.gz HLGPYRCRQGNPSD-UHFFFAOYSA-N -1 3 404.289 3.532 20 0 HHADHM O=C(CCc1nnc(-c2ccsc2)o1)NCc1ccc([O-])c(Br)c1 ZINC000488668413 999565218 /nfs/dbraw/zinc/56/52/18/999565218.db2.gz AEYWYFJQEPHPRU-UHFFFAOYSA-N -1 3 408.277 3.515 20 0 HHADHM COc1cc(Br)ccc1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000488674269 999567573 /nfs/dbraw/zinc/56/75/73/999567573.db2.gz MGTPCBDVBVMYJZ-UHFFFAOYSA-N -1 3 415.081 3.856 20 0 HHADHM CC(C)NC(=O)Nc1ccc(C(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000488680338 999569562 /nfs/dbraw/zinc/56/95/62/999569562.db2.gz ZKJKPSWANFQAQV-UHFFFAOYSA-N -1 3 406.280 3.615 20 0 HHADHM COc1cc(C(=O)N2[C@H](C(=O)OC(C)(C)C)C[C@@H]3CCCC[C@@H]32)cc(OC)c1[O-] ZINC000479777582 999586749 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SOQGWQODLBJWES-KBPBESRZSA-N -1 3 420.572 3.565 20 0 HHADHM CCCc1nc2ccccc2n1CCC(=O)Nc1nc2c(cccc2C(=O)OC)[n-]1 ZINC000536709075 1011880253 /nfs/dbraw/zinc/88/02/53/1011880253.db2.gz GGVNJXMQFFLKNR-UHFFFAOYSA-N -1 3 405.458 3.681 20 0 HHADHM CCCCN1C(=O)C[C@@H](C(=O)NCc2ccc([O-])c(F)c2)[C@@H]1c1ccc(OC)cc1 ZINC000523424663 1011911456 /nfs/dbraw/zinc/91/14/56/1011911456.db2.gz IQEGTPBXBKCHHY-GCJKJVERSA-N -1 3 414.477 3.546 20 0 HHADHM O=C(Nc1ncccc1[O-])[C@H]1CCC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000541237097 1011915600 /nfs/dbraw/zinc/91/56/00/1011915600.db2.gz CWCNUGSOWPBGNU-SIKLNZKXSA-N -1 3 401.466 3.906 20 0 HHADHM COc1ccc([C@@H](OC)[C@@H](C)NC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000536762646 1011961385 /nfs/dbraw/zinc/96/13/85/1011961385.db2.gz MKPMGRDACSILHJ-XIKOKIGWSA-N -1 3 423.307 3.739 20 0 HHADHM CC(C)[C@H]1C[C@@H](NC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)CCO1 ZINC000536773187 1011978970 /nfs/dbraw/zinc/97/89/70/1011978970.db2.gz VWYKBAHKTCFELQ-QFBILLFUSA-N -1 3 423.941 3.609 20 0 HHADHM CCc1ccc([O-])c(C(=O)N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)c1 ZINC000551923598 1012025122 /nfs/dbraw/zinc/02/51/22/1012025122.db2.gz HZDAVBKXMUGYNR-UHFFFAOYSA-N -1 3 421.419 3.963 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCOC3)cc2)cc1C(F)(F)F ZINC000523535546 1012067408 /nfs/dbraw/zinc/06/74/08/1012067408.db2.gz XPLGSDSGDGZMHW-OAHLLOKOSA-N -1 3 401.406 3.982 20 0 HHADHM CC(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)c1[O-] ZINC000552069065 1012085208 /nfs/dbraw/zinc/08/52/08/1012085208.db2.gz AHIJFJLAUXHXQT-AWEZNQCLSA-N -1 3 420.387 3.601 20 0 HHADHM CC(=O)c1cccc(NC(=O)c2sc3nc4n(c(=O)c3c2C)CCCCC4)c1[O-] ZINC000552069932 1012086738 /nfs/dbraw/zinc/08/67/38/1012086738.db2.gz RWAPBWQBGAPWGY-UHFFFAOYSA-N -1 3 411.483 3.653 20 0 HHADHM COC(=O)CSCc1cccc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)c1 ZINC000536904125 1012165172 /nfs/dbraw/zinc/16/51/72/1012165172.db2.gz HBTAMOXDTYSGJJ-UHFFFAOYSA-N -1 3 409.529 3.681 20 0 HHADHM Cc1cc(C)cc([C@@H]2CCN(C(=O)CCc3c(C)nc(-c4ccncc4)[n-]c3=O)C2)c1 ZINC000541505160 1012284515 /nfs/dbraw/zinc/28/45/15/1012284515.db2.gz GBBBHZVQNVABNV-HXUWFJFHSA-N -1 3 416.525 3.706 20 0 HHADHM CC(=O)c1cccc(NC(=O)CCC[S@](=O)c2ccc(Br)cc2)c1[O-] ZINC000552288330 1012299927 /nfs/dbraw/zinc/29/99/27/1012299927.db2.gz OIAIZUCORMRQQO-VWLOTQADSA-N -1 3 424.316 3.884 20 0 HHADHM CC[C@@H](CSC)[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000537019003 1012324292 /nfs/dbraw/zinc/32/42/92/1012324292.db2.gz BYKDODYSJUAKEQ-VIFPVBQESA-N -1 3 406.289 3.888 20 0 HHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cccc(C(=O)Nc4ccccc4)c3)nc21 ZINC000552365602 1012375521 /nfs/dbraw/zinc/37/55/21/1012375521.db2.gz KNNOOTRYKBKNRN-UHFFFAOYSA-N -1 3 414.421 3.854 20 0 HHADHM C[C@H]1CCC[C@H](CCNC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)C1 ZINC000523754151 1012379782 /nfs/dbraw/zinc/37/97/82/1012379782.db2.gz MEEKUJLXVMQMPI-LSDHHAIUSA-N -1 3 407.511 3.901 20 0 HHADHM CC[C@H]1CCCN1C(=O)NCc1cccc([N-]S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000523770112 1012404580 /nfs/dbraw/zinc/40/45/80/1012404580.db2.gz JLPXIKJFXLISCM-SFHVURJKSA-N -1 3 417.531 3.580 20 0 HHADHM CCC(CC)c1nnc([N-]C(=O)c2cc(S(C)(=O)=O)ccc2OC(C)C)s1 ZINC000537094962 1012457428 /nfs/dbraw/zinc/45/74/28/1012457428.db2.gz DVSRJYLOLLZQJV-UHFFFAOYSA-N -1 3 411.549 3.885 20 0 HHADHM O=S(=O)([N-][C@H]1CCCN(c2cccc(F)c2)C1)c1ccc(Br)s1 ZINC000523863664 1012559654 /nfs/dbraw/zinc/55/96/54/1012559654.db2.gz VNQVGYAXUAXOMR-LBPRGKRZSA-N -1 3 419.341 3.597 20 0 HHADHM C[C@@H]1CC[C@@H](NC(=O)c2c[n-]c3ccc(I)cc3c2=O)C[C@H]1C ZINC000541735765 1012589388 /nfs/dbraw/zinc/58/93/88/1012589388.db2.gz DLMILBPWSFJRRZ-NQBHXWOUSA-N -1 3 424.282 3.687 20 0 HHADHM COc1cc2c(cc1F)[n-]cc(C(=O)Nc1cccc(-c3n[nH]c(C4CC4)n3)c1)c2=O ZINC000537242158 1012682795 /nfs/dbraw/zinc/68/27/95/1012682795.db2.gz TUIGTVJGIZNSES-UHFFFAOYSA-N -1 3 419.416 3.591 20 0 HHADHM CCOc1ccc2nc(NC(=O)c3c[n-]c4cc(F)c(OC)cc4c3=O)sc2c1 ZINC000537241691 1012682829 /nfs/dbraw/zinc/68/28/29/1012682829.db2.gz GWCYXZGQSSUVNT-UHFFFAOYSA-N -1 3 413.430 3.937 20 0 HHADHM CC(=O)Nc1ccc([O-])c(C(=O)NC[C@@H](OCC2CC2)c2ccc(Cl)cc2)c1 ZINC000552679853 1012687524 /nfs/dbraw/zinc/68/75/24/1012687524.db2.gz UQJSLMSFIQPGDS-HXUWFJFHSA-N -1 3 402.878 3.902 20 0 HHADHM Cc1csc([C@@H](C)C[N-]S(=O)(=O)c2cc(Br)ccc2Cl)n1 ZINC000541828973 1012716405 /nfs/dbraw/zinc/71/64/05/1012716405.db2.gz NINAYUGTWJOWNQ-QMMMGPOBSA-N -1 3 409.758 3.949 20 0 HHADHM CCOC(=O)c1cc(NC(=O)c2cc(C)n(-c3ccc(Cl)cc3Cl)n2)[n-]n1 ZINC000541904536 1012764002 /nfs/dbraw/zinc/76/40/02/1012764002.db2.gz MBKDNJBYIOTMSG-UHFFFAOYSA-N -1 3 408.245 3.640 20 0 HHADHM CCOC(=O)c1cc(NC(=O)c2cc(C)n(-c3ccc(Cl)cc3Cl)n2)n[n-]1 ZINC000541904536 1012764013 /nfs/dbraw/zinc/76/40/13/1012764013.db2.gz MBKDNJBYIOTMSG-UHFFFAOYSA-N -1 3 408.245 3.640 20 0 HHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc(CCC(=O)N4CCCC4)cc3)c[n-]c12 ZINC000552869273 1012874438 /nfs/dbraw/zinc/87/44/38/1012874438.db2.gz PFMSXNNXFBVMFQ-UHFFFAOYSA-N -1 3 421.472 3.783 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@H]2c3ccccc3C[C@H]2C)cc1OC ZINC000524151175 1012938622 /nfs/dbraw/zinc/93/86/22/1012938622.db2.gz VGDIOXPUVMBGRB-BFUOFWGJSA-N -1 3 403.504 3.512 20 0 HHADHM C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)[C@@H]2CCCC[C@@H]21 ZINC000542060556 1012977601 /nfs/dbraw/zinc/97/76/01/1012977601.db2.gz HFBQRDMLCLLXOG-ZXYWRSMDSA-N -1 3 405.495 3.605 20 0 HHADHM O=C(N[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000537522224 1013037742 /nfs/dbraw/zinc/03/77/42/1013037742.db2.gz UVWQRFQECDAHGO-PBHICJAKSA-N -1 3 402.372 3.655 20 0 HHADHM CSCC[C@@H]([N-]S(=O)(=O)c1ccccc1)c1nc(CCc2ccccc2)no1 ZINC000904581659 1071807487 /nfs/dbraw/zinc/80/74/87/1071807487.db2.gz KMHFUEHWZGAIMS-GOSISDBHSA-N -1 3 417.556 3.628 20 0 HHADHM Cc1nc2c(Cl)cccc2cc1C(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O ZINC001126992615 1071826818 /nfs/dbraw/zinc/82/68/18/1071826818.db2.gz PQULIXQPHHDNEN-UHFFFAOYSA-N -1 3 421.881 3.637 20 0 HHADHM CCc1ncc(S(=O)(=O)[N-]C2(Cc3ccccc3Br)CC2)s1 ZINC001211992966 1071854738 /nfs/dbraw/zinc/85/47/38/1071854738.db2.gz HTSOBASVKXEGEA-UHFFFAOYSA-N -1 3 401.351 3.522 20 0 HHADHM C[S@](=O)(=NS(=O)(=O)[N-][C@H]1C[C@H](c2ccccc2Cl)C1)c1ccccc1F ZINC001212018373 1071899613 /nfs/dbraw/zinc/89/96/13/1071899613.db2.gz QEIUVJNMHGKIKM-FUIYZNBFSA-N -1 3 416.927 3.716 20 0 HHADHM COC(=O)c1cc(S(=O)(=O)[N-][C@@]2(C)CCCC[C@@H]2C)c(Br)cc1F ZINC001212077003 1072056159 /nfs/dbraw/zinc/05/61/59/1072056159.db2.gz CYLMZZFLVZOACG-QFYYESIMSA-N -1 3 422.316 3.622 20 0 HHADHM CC(C)Oc1ccccc1-c1noc([C@@H](N)CCc2cc(=O)oc3cc([O-])ccc23)n1 ZINC001212097758 1072074889 /nfs/dbraw/zinc/07/48/89/1072074889.db2.gz HXCJVEKPYBWUFK-SFHVURJKSA-N -1 3 421.453 3.968 20 0 HHADHM Cc1ncc(Cl)cc1-c1noc([C@@H](N)CCc2cc(=O)oc3cc([O-])ccc23)n1 ZINC001212097806 1072075447 /nfs/dbraw/zinc/07/54/47/1072075447.db2.gz KISYGYHAJKGROY-INIZCTEOSA-N -1 3 412.833 3.538 20 0 HHADHM Cn1ccnc1[C@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)c1ccccc1 ZINC000570150456 1072189116 /nfs/dbraw/zinc/18/91/16/1072189116.db2.gz WKZPNLPSCGHLEB-OAHLLOKOSA-N -1 3 414.289 3.934 20 0 HHADHM C[C@@H]1CCC[C@@H](NC(=O)c2c[n-]c3ccc(I)cc3c2=O)[C@H]1C ZINC000536748327 1072196848 /nfs/dbraw/zinc/19/68/48/1072196848.db2.gz XTDFDVALFFEYPG-JRPNMDOOSA-N -1 3 424.282 3.687 20 0 HHADHM O=C(COC(=O)c1cc(-c2ccco2)[n-]n1)Nc1ncc(C(F)(F)F)cc1Cl ZINC000913298394 1072360481 /nfs/dbraw/zinc/36/04/81/1072360481.db2.gz JYFLGFBXMIEQKO-UHFFFAOYSA-N -1 3 414.727 3.532 20 0 HHADHM O=C(COC(=O)c1cc(-c2ccco2)n[n-]1)Nc1ncc(C(F)(F)F)cc1Cl ZINC000913298394 1072360490 /nfs/dbraw/zinc/36/04/90/1072360490.db2.gz JYFLGFBXMIEQKO-UHFFFAOYSA-N -1 3 414.727 3.532 20 0 HHADHM C[C@@H](NC(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F)c1cccc(Cl)c1 ZINC000729836404 1072405937 /nfs/dbraw/zinc/40/59/37/1072405937.db2.gz BRIOTZLNKRNVGC-SNVBAGLBSA-N -1 3 414.861 3.550 20 0 HHADHM C[C@@H](NC(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F)c1ccccc1Cl ZINC000729838351 1072409814 /nfs/dbraw/zinc/40/98/14/1072409814.db2.gz UHAUOWNPIFNHMF-SNVBAGLBSA-N -1 3 414.861 3.550 20 0 HHADHM CN(C(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F)c1ccc2ccccc2c1 ZINC000729837969 1072409876 /nfs/dbraw/zinc/40/98/76/1072409876.db2.gz IVWGMPBAVGQFSH-UHFFFAOYSA-N -1 3 416.449 3.835 20 0 HHADHM Cc1cc([C@@H](C)NC(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)c(C)s1 ZINC000729838530 1072410436 /nfs/dbraw/zinc/41/04/36/1072410436.db2.gz NYJWKNBWLWWCHL-SNVBAGLBSA-N -1 3 414.499 3.575 20 0 HHADHM CC(C)[C@@H](CNC(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F)c1ccccc1 ZINC000729840600 1072435357 /nfs/dbraw/zinc/43/53/57/1072435357.db2.gz XZNWDDIZKKLLEY-MRXNPFEDSA-N -1 3 422.497 3.575 20 0 HHADHM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cc2F)cn1C ZINC000612779244 1072516836 /nfs/dbraw/zinc/51/68/36/1072516836.db2.gz UMPWLKOYARDIEG-UHFFFAOYSA-N -1 3 402.447 3.809 20 0 HHADHM COc1cc(C(=O)N2CCCC[C@@H]2CCN(C)C(=O)OC(C)(C)C)cc(OC)c1[O-] ZINC001648996820 1072578250 /nfs/dbraw/zinc/57/82/50/1072578250.db2.gz JJJKXQJAOHMDMI-MRXNPFEDSA-N -1 3 422.522 3.661 20 0 HHADHM COc1ccc(Sc2nsc([N-]C(=O)c3cc(C(F)(F)F)n(C)n3)n2)cc1 ZINC001126821878 1072681656 /nfs/dbraw/zinc/68/16/56/1072681656.db2.gz VPEOXOGWAZGUKA-UHFFFAOYSA-N -1 3 415.422 3.703 20 0 HHADHM O=S(=O)([N-][C@H](CCO)c1ccc(Cl)cc1)c1cc(F)ccc1Br ZINC000571691697 1072698749 /nfs/dbraw/zinc/69/87/49/1072698749.db2.gz ILSVYMSADJPKLI-CQSZACIVSA-N -1 3 422.703 3.644 20 0 HHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C)c2ccc(-n3cncn3)cc2)c1Cl ZINC000615154846 1072707840 /nfs/dbraw/zinc/70/78/40/1072707840.db2.gz DDIIYMUJZYIRIE-GFCCVEGCSA-N -1 3 411.314 3.922 20 0 HHADHM COC(=O)c1cc(Cl)cc([N-]C(=O)c2cc(COc3ccccc3F)on2)c1O ZINC000588097484 1072820564 /nfs/dbraw/zinc/82/05/64/1072820564.db2.gz PUUCICRPOYMJCN-UHFFFAOYSA-N -1 3 420.780 3.791 20 0 HHADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccccn3)c2)c(C)c1 ZINC000588623731 1073063374 /nfs/dbraw/zinc/06/33/74/1073063374.db2.gz HSGFNCUQBVNAKN-UHFFFAOYSA-N -1 3 411.483 3.842 20 0 HHADHM CC1(C)Oc2ccsc2[C@@H]([N-]S(=O)(=O)Cc2ccc3ccccc3c2)[C@@H]1O ZINC001212123453 1073090392 /nfs/dbraw/zinc/09/03/92/1073090392.db2.gz NFHLFGGWLRCPLX-MJGOQNOKSA-N -1 3 403.525 3.594 20 0 HHADHM CCOc1ccc([C@H](C)[N-]S(=O)(=O)c2c(F)cc(OC)cc2F)cc1OCC ZINC000588675555 1073159381 /nfs/dbraw/zinc/15/93/81/1073159381.db2.gz VGBWFCWNHUTOOI-LBPRGKRZSA-N -1 3 415.458 3.810 20 0 HHADHM Cc1cccc(C(C)C)c1NC(=O)C[C@@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000760702503 1073197908 /nfs/dbraw/zinc/19/79/08/1073197908.db2.gz WVNKNYQWJASAHQ-CQSZACIVSA-N -1 3 409.939 3.862 20 0 HHADHM Cc1noc(C)c1CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000785417777 1073284013 /nfs/dbraw/zinc/28/40/13/1073284013.db2.gz LPWPMIGBLGFSPS-UHFFFAOYSA-N -1 3 418.446 3.631 20 0 HHADHM COc1cccc(-c2noc([C@H](C)[N-]S(=O)(=O)Cc3ccc(C(F)F)cc3)n2)c1 ZINC000555315445 1073329028 /nfs/dbraw/zinc/32/90/28/1073329028.db2.gz DWRWWKKDUHKAGE-LBPRGKRZSA-N -1 3 423.441 3.863 20 0 HHADHM Cc1nc([C@@H]([N-]S(=O)(=O)Cc2c(C)cccc2C)c2ccc(Cl)cc2)no1 ZINC000555334098 1073347917 /nfs/dbraw/zinc/34/79/17/1073347917.db2.gz IEFJCMSNRMQIDW-SFHVURJKSA-N -1 3 405.907 3.857 20 0 HHADHM CCCCN([C@@H]1CCC[C@H](C)C1)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000555423999 1073448120 /nfs/dbraw/zinc/44/81/20/1073448120.db2.gz DUYTZKHKJZZBIG-LSDHHAIUSA-N -1 3 420.572 3.567 20 0 HHADHM O=C(Nc1cccc(CN2CCSCC2)c1)c1c[n-]c2c(Cl)cccc2c1=O ZINC001142638624 1073665419 /nfs/dbraw/zinc/66/54/19/1073665419.db2.gz CSUYRTOVNUYMAT-UHFFFAOYSA-N -1 3 413.930 3.983 20 0 HHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N(C)Cc3c(F)cccc3F)nc(=O)c2c1C ZINC000555650595 1073704987 /nfs/dbraw/zinc/70/49/87/1073704987.db2.gz BQICAAXCJSONEV-LLVKDONJSA-N -1 3 421.469 3.941 20 0 HHADHM O=C(NC1CC1)c1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)c1 ZINC000590263518 1073718299 /nfs/dbraw/zinc/71/82/99/1073718299.db2.gz XVKACGTXOQESEN-UHFFFAOYSA-N -1 3 402.369 3.538 20 0 HHADHM O=C(CCC[S@@](=O)c1ccc(Br)cc1)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000590558510 1073886637 /nfs/dbraw/zinc/88/66/37/1073886637.db2.gz ROGREPZCLCPALK-RUZDIDTESA-N -1 3 422.304 3.558 20 0 HHADHM O=C(c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)N1CCC[C@H]1c1ccccn1 ZINC000555964643 1074002756 /nfs/dbraw/zinc/00/27/56/1074002756.db2.gz OGVUIEHNUOQMKU-HNNXBMFYSA-N -1 3 403.360 3.799 20 0 HHADHM O=S(=O)([N-]Cc1cccc(OCc2ccccn2)c1)c1cc(F)ccc1Cl ZINC000590792791 1074006058 /nfs/dbraw/zinc/00/60/58/1074006058.db2.gz JTIJFVIHRZMKRE-UHFFFAOYSA-N -1 3 406.866 3.932 20 0 HHADHM C[C@@H](NC(=O)CNC(=O)c1ccc([O-])cc1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000590816770 1074020549 /nfs/dbraw/zinc/02/05/49/1074020549.db2.gz XYNHHRPAKBXXAM-MRXNPFEDSA-N -1 3 422.456 3.718 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@H]1CCC[C@H]1c1ccccc1 ZINC000600609103 1074037419 /nfs/dbraw/zinc/03/74/19/1074037419.db2.gz LEYUGXHWPRNGSG-SFTDATJTSA-N -1 3 402.498 3.525 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCCc3ccc4c(c3)CC(=O)N4)c2)n1 ZINC000591141402 1074135688 /nfs/dbraw/zinc/13/56/88/1074135688.db2.gz KDIGUUVIAWCCGY-UHFFFAOYSA-N -1 3 416.481 3.868 20 0 HHADHM CCSc1cccc(NC(=O)C[C@H](C)[N-]S(=O)(=O)c2cccnc2Cl)c1 ZINC000760596912 1074142928 /nfs/dbraw/zinc/14/29/28/1074142928.db2.gz 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407.451 3.598 20 0 HHADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(-n3cnc4ccccc43)cc2)cc1 ZINC000057748346 965537581 /nfs/dbraw/zinc/53/75/81/965537581.db2.gz XWTVEJFAICDTED-UHFFFAOYSA-N -1 3 406.467 3.785 20 0 HHADHM COc1ccccc1CN(Cc1cccs1)C(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000057772077 965542461 /nfs/dbraw/zinc/54/24/61/965542461.db2.gz RFLMFEVOQKMEOC-UHFFFAOYSA-N -1 3 411.527 3.618 20 0 HHADHM O=S(=O)([N-]CC1(N2CCSCC2)CCCC1)c1cc(Cl)sc1Cl ZINC000030431946 965695313 /nfs/dbraw/zinc/69/53/13/965695313.db2.gz YKJMWTZYNQRFGR-UHFFFAOYSA-N -1 3 415.433 3.695 20 0 HHADHM Cc1cccc(O[C@H](C)C(=O)N[N-]C(=O)c2cnn(-c3ccccc3)c2C2CC2)c1C ZINC000030555443 965727566 /nfs/dbraw/zinc/72/75/66/965727566.db2.gz FJWUWQUIKHGJJZ-QGZVFWFLSA-N -1 3 418.497 3.595 20 0 HHADHM Cc1cccc(O[C@@H](C)C(=O)N[N-]C(=O)c2cnn(-c3ccccc3)c2C(C)C)c1C ZINC000030555488 965727662 /nfs/dbraw/zinc/72/76/62/965727662.db2.gz QFDXSCQVLYXDPJ-SFHVURJKSA-N -1 3 420.513 3.841 20 0 HHADHM O=C([N-]NC(=S)Nc1cc(C(F)(F)F)ccc1Cl)c1cc(C2CC2)[nH]n1 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20 0 HHADHM CC(=O)Nc1ccc([O-])c(C(=O)NCC2(c3cccc(Br)c3)CCC2)c1 ZINC000115735892 969851094 /nfs/dbraw/zinc/85/10/94/969851094.db2.gz TVUSGLUFRZUMRS-UHFFFAOYSA-N -1 3 417.303 3.965 20 0 HHADHM CSCC[C@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000134858597 969975062 /nfs/dbraw/zinc/97/50/62/969975062.db2.gz ZVBBFJABZOXTET-QMMMGPOBSA-N -1 3 417.188 3.632 20 0 HHADHM COC(=O)c1cc(C)nc2nc(SCCCOc3cccc(Cl)c3)[n-]c(=O)c21 ZINC000140300520 970071363 /nfs/dbraw/zinc/07/13/63/970071363.db2.gz MOFBFMYJLHKUOD-UHFFFAOYSA-N -1 3 419.890 3.628 20 0 HHADHM COc1cccc(C(=O)Nc2ccc(I)cc2Cl)c1[O-] ZINC000221650889 970099078 /nfs/dbraw/zinc/09/90/78/970099078.db2.gz AUNZDGIPIVRAEM-UHFFFAOYSA-N -1 3 403.603 3.911 20 0 HHADHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2ccn(-c3cc(C)ccc3OC)n2)cc1 ZINC000143124387 970182877 /nfs/dbraw/zinc/18/28/77/970182877.db2.gz CNVSCBJMUAQWNX-SFHVURJKSA-N -1 3 402.454 3.713 20 0 HHADHM CC(C)(C)C[C@@H]1CCCN1C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000143932417 970215906 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ZINC000426804771 974673572 /nfs/dbraw/zinc/67/35/72/974673572.db2.gz WOXPODYJVHOTIO-SFHVURJKSA-N -1 3 414.259 3.947 20 0 HHADHM COc1cc(C[C@@H](NCc2csc(-c3cccs3)n2)C(=O)[O-])cc(OC)c1 ZINC000426817810 974683482 /nfs/dbraw/zinc/68/34/82/974683482.db2.gz QAXCJRVBTLUIJY-MRXNPFEDSA-N -1 3 404.513 3.674 20 0 HHADHM COc1ccc([C@H](NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C(=O)[O-])cc1F ZINC000426820216 974686011 /nfs/dbraw/zinc/68/60/11/974686011.db2.gz KIGILYNJIZQOFJ-SFHVURJKSA-N -1 3 423.366 3.954 20 0 HHADHM COc1cc(CN[C@@H](C(=O)[O-])c2cccc(F)c2)ccc1OCc1c(C)noc1C ZINC000426829223 974694981 /nfs/dbraw/zinc/69/49/81/974694981.db2.gz OHILNOIHFWOHTQ-OAQYLSRUSA-N -1 3 414.433 3.934 20 0 HHADHM O=C([O-])[C@H](CCCc1ccccc1)NCc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000426836318 974701057 /nfs/dbraw/zinc/70/10/57/974701057.db2.gz TYSXQAUGUUDLOD-SFHVURJKSA-N -1 3 402.857 3.626 20 0 HHADHM CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)Nc2ccc(F)cc2NC2CC2)cc1 ZINC000426930364 974760138 /nfs/dbraw/zinc/76/01/38/974760138.db2.gz AAOPVDWLSARSLZ-UHFFFAOYSA-N -1 3 421.494 3.568 20 0 HHADHM CCOC(=O)c1cc(COC)cc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)c1 ZINC000427125845 974924264 /nfs/dbraw/zinc/92/42/64/974924264.db2.gz IDOMSZKQKKRMKW-UHFFFAOYSA-N -1 3 401.843 3.603 20 0 HHADHM C[C@@H](c1ccc(Br)cc1)[S@](=O)Cc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000427195028 974969863 /nfs/dbraw/zinc/96/98/63/974969863.db2.gz ZOUOPRUFRQCNIS-OTHYDSGKSA-N -1 3 409.227 3.973 20 0 HHADHM COC(=O)C1(CS(=O)(=O)[N-]c2cccc(-c3nc(C)cs3)c2)CCCCC1 ZINC000427208308 974978938 /nfs/dbraw/zinc/97/89/38/974978938.db2.gz DACFUZBOSXXGMO-UHFFFAOYSA-N -1 3 408.545 3.984 20 0 HHADHM COC(=O)C1(CS(=O)(=O)[N-]c2cccc(Oc3ccccn3)c2)CCCCC1 ZINC000427276904 975020191 /nfs/dbraw/zinc/02/01/91/975020191.db2.gz QLVDKBMWJCMFLC-UHFFFAOYSA-N -1 3 404.488 3.739 20 0 HHADHM Cc1ccc(NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)cc1OC(C)C ZINC000427607627 975209795 /nfs/dbraw/zinc/20/97/95/975209795.db2.gz CEQLYFDPAFFPNB-UHFFFAOYSA-N -1 3 406.486 3.807 20 0 HHADHM COc1cc2c(cc1F)[n-]cc(C(=O)Nc1nc3c(s1)CCCC3(C)C)c2=O ZINC000427613056 975211314 /nfs/dbraw/zinc/21/13/14/975211314.db2.gz QYCUSAUXHVJGTM-UHFFFAOYSA-N -1 3 401.463 3.999 20 0 HHADHM COCc1ccc(S(=O)(=O)[N-]c2ccnc(N3CCc4ccccc4C3)c2)cc1 ZINC000427630361 975216182 /nfs/dbraw/zinc/21/61/82/975216182.db2.gz RKLHJPXRDBRFGX-UHFFFAOYSA-N -1 3 409.511 3.592 20 0 HHADHM CN(C)c1cccc(S(=O)(=O)[N-]c2ccnc(N3CCc4ccccc4C3)c2)c1 ZINC000427631128 975216885 /nfs/dbraw/zinc/21/68/85/975216885.db2.gz WNFCFRAVBNUPNL-UHFFFAOYSA-N -1 3 408.527 3.511 20 0 HHADHM O=S(=O)([N-]c1ccnc(N2CCc3ccccc3C2)c1)c1ccc(F)c(F)c1 ZINC000427632054 975217018 /nfs/dbraw/zinc/21/70/18/975217018.db2.gz BRWDWYWHGBVXJA-UHFFFAOYSA-N -1 3 401.438 3.723 20 0 HHADHM COc1ccc(Cn2cc(C(=O)Nc3ccc([O-])c(C(F)(F)F)c3)cn2)cc1OC ZINC000427641708 975221521 /nfs/dbraw/zinc/22/15/21/975221521.db2.gz JUTIRAIUHHKWHH-UHFFFAOYSA-N -1 3 421.375 3.925 20 0 HHADHM Cc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)C[C@@H](C)c3ccccc3)n2)cc1F ZINC000427790316 975289965 /nfs/dbraw/zinc/28/99/65/975289965.db2.gz RPDPOHRXYYQMAZ-CABCVRRESA-N -1 3 403.479 3.968 20 0 HHADHM CC(C)[C@H]([N-]S(=O)(=O)C[C@@H](C)c1ccccc1)c1nc(-c2ccncc2)no1 ZINC000427853218 975322375 /nfs/dbraw/zinc/32/23/75/975322375.db2.gz OXFMMMMBEVMDAI-QAPCUYQASA-N -1 3 400.504 3.552 20 0 HHADHM Cn1c2cc([O-])c(NC(=O)CCOc3ccccc3-c3ccccc3)cc2n(C)c1=O ZINC000427979540 975373731 /nfs/dbraw/zinc/37/37/31/975373731.db2.gz ISICTZSNPGANSU-UHFFFAOYSA-N -1 3 417.465 3.657 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)Nc1ccc(-c2ccco2)cc1F ZINC000428077402 975421122 /nfs/dbraw/zinc/42/11/22/975421122.db2.gz XEKJUGZDUOITMT-UHFFFAOYSA-N -1 3 404.401 3.721 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@@H](C)c1cc(Cl)ccc1Cl ZINC000428683457 975975178 /nfs/dbraw/zinc/97/51/78/975975178.db2.gz SXHIREBLAMRTHQ-NSHDSACASA-N -1 3 417.296 3.867 20 0 HHADHM COc1ccc(-c2nnc([N-]C(=O)c3cnc(OCc4ccccc4)cn3)s2)cc1 ZINC000428776848 976050576 /nfs/dbraw/zinc/05/05/76/976050576.db2.gz CMAGNBKHTKSMKC-UHFFFAOYSA-N -1 3 419.466 3.835 20 0 HHADHM COc1cc(OC)c(NC(=O)c2c[n-]c3ccccc3c2=O)cc1Br ZINC000429393391 976666880 /nfs/dbraw/zinc/66/68/80/976666880.db2.gz KDPFSHVZXTZMGY-UHFFFAOYSA-N -1 3 403.232 3.560 20 0 HHADHM CC[C@H](CNC(=O)CCc1c(C)nc(C)[n-]c1=O)Oc1cccc(C(F)(F)F)c1 ZINC000430504959 977605677 /nfs/dbraw/zinc/60/56/77/977605677.db2.gz ZLFSQHNNNCUIFS-OAHLLOKOSA-N -1 3 411.424 3.724 20 0 HHADHM O=C(NC[C@@H]1CCCCS1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430576181 977640476 /nfs/dbraw/zinc/64/04/76/977640476.db2.gz WAGWCONTMQILFX-JTQLQIEISA-N -1 3 415.740 3.960 20 0 HHADHM CN(C)c1cc(NC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)ccn1 ZINC000430606260 977653405 /nfs/dbraw/zinc/65/34/05/977653405.db2.gz VYURSEGWWWLMCK-UHFFFAOYSA-N -1 3 421.682 3.657 20 0 HHADHM C[C@@H]1CSCCN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)C1 ZINC000430614662 977656276 /nfs/dbraw/zinc/65/62/76/977656276.db2.gz ZQVADJRXPNIUQO-VIFPVBQESA-N -1 3 415.740 3.769 20 0 HHADHM Cc1nc(-c2ccc(N3C(=O)[C@H]4C[C@@H](C5CCCCC5)CN4C3=O)cc2)cc(=O)[n-]1 ZINC000430939847 977901831 /nfs/dbraw/zinc/90/18/31/977901831.db2.gz HXAUGRITJIYOBG-YLJYHZDGSA-N -1 3 406.486 3.895 20 0 HHADHM CCNc1ccc(C(=O)OCC)cc1[N-]S(=O)(=O)Cc1cc(C(C)(C)C)on1 ZINC000430984850 977930636 /nfs/dbraw/zinc/93/06/36/977930636.db2.gz OUJSIFKCONYWNR-UHFFFAOYSA-N -1 3 409.508 3.523 20 0 HHADHM C[C@H](O)C[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1ccccc1 ZINC000431281807 978167310 /nfs/dbraw/zinc/16/73/10/978167310.db2.gz SGYGZDFRNBQGJP-JSGCOSHPSA-N -1 3 405.413 3.678 20 0 HHADHM Cc1nc(N2CCOCC2)ccc1[N-]S(=O)(=O)c1c(C)c(C)c(C)c(C)c1C ZINC000431322908 978207912 /nfs/dbraw/zinc/20/79/12/978207912.db2.gz YLHZPVSWLUKTAQ-UHFFFAOYSA-N -1 3 403.548 3.570 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)NCc3cccc4c3OCCCO4)cc2)cc(=O)[n-]1 ZINC000431366691 978241312 /nfs/dbraw/zinc/24/13/12/978241312.db2.gz ZHFDBIDJWAVPOD-UHFFFAOYSA-N -1 3 406.442 3.641 20 0 HHADHM COC(=O)c1ccc(C(=O)Nc2cccc(C(=O)N3CCc4sccc4C3)c2C)[n-]1 ZINC000431743741 978475632 /nfs/dbraw/zinc/47/56/32/978475632.db2.gz XWMQFRCBNZYARK-UHFFFAOYSA-N -1 3 423.494 3.622 20 0 HHADHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)c2ccc(-c3csc(C)n3)cc2)oc1C ZINC000432011084 978644294 /nfs/dbraw/zinc/64/42/94/978644294.db2.gz GILYMGRGNMYXNA-NSHDSACASA-N -1 3 420.512 3.846 20 0 HHADHM CCOc1cccc2cc([C@H](C)[N-]S(=O)(=O)c3cc(C(=O)OC)c(C)o3)oc21 ZINC000432021824 978649605 /nfs/dbraw/zinc/64/96/05/978649605.db2.gz WHNGHKPDQZEEBY-NSHDSACASA-N -1 3 407.444 3.559 20 0 HHADHM CO[C@@H]1CCC[C@H](C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)C1 ZINC000432053566 978662381 /nfs/dbraw/zinc/66/23/81/978662381.db2.gz GMLXJIHNEPXNPN-QFBILLFUSA-N -1 3 402.516 3.940 20 0 HHADHM CC(C)COc1ccc(S(=O)(=O)[N-]c2cccc3c2OCC[C@@H]3N(C)C)cc1 ZINC000432475839 978834899 /nfs/dbraw/zinc/83/48/99/978834899.db2.gz HKGIHGVTDGQGKO-FQEVSTJZSA-N -1 3 404.532 3.907 20 0 HHADHM O=C([N-]c1nnc([C@H]2CCCc3ccccc32)s1)c1cn(-c2ccccc2)nn1 ZINC000432577486 978897126 /nfs/dbraw/zinc/89/71/26/978897126.db2.gz GYHBIEOOFFGAHU-KRWDZBQOSA-N -1 3 402.483 3.839 20 0 HHADHM O=C([N-]c1nnc([C@@H]2CCCc3ccccc32)s1)c1cn(Cc2ccccc2)nn1 ZINC000432610830 978910728 /nfs/dbraw/zinc/91/07/28/978910728.db2.gz BIVIGIWXGLNZNS-GOSISDBHSA-N -1 3 416.510 3.898 20 0 HHADHM CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(N(C)C)cc2)cc1Cl ZINC000432762863 978964257 /nfs/dbraw/zinc/96/42/57/978964257.db2.gz KXLAAJUURGZEBL-UHFFFAOYSA-N -1 3 409.939 3.689 20 0 HHADHM Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1[N-]S(=O)(=O)c1ccc(N(C)C)cc1 ZINC000432770522 978968726 /nfs/dbraw/zinc/96/87/26/978968726.db2.gz HKRCPBICFYWHJK-MRXNPFEDSA-N -1 3 415.559 3.734 20 0 HHADHM C[C@@H]1CCCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(N(C)C)cc2)cc1 ZINC000432770175 978968757 /nfs/dbraw/zinc/96/87/57/978968757.db2.gz ROPRCVFGHFNFIH-MRXNPFEDSA-N -1 3 401.532 3.568 20 0 HHADHM CN(C)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCCCC3)cc2)cc1 ZINC000432771051 978969034 /nfs/dbraw/zinc/96/90/34/978969034.db2.gz VIBUGGACOBHFIH-UHFFFAOYSA-N -1 3 401.532 3.570 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CS3)cc1C(C)C ZINC000432777675 978971540 /nfs/dbraw/zinc/97/15/40/978971540.db2.gz VMXKARGDKKOTRO-UHFFFAOYSA-N -1 3 406.529 3.972 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)Nc3ccc4[nH]c(C)cc4c3)c2)[n-]1 ZINC000433234263 979166426 /nfs/dbraw/zinc/16/64/26/979166426.db2.gz RHYAWOMQPAYFRG-UHFFFAOYSA-N -1 3 418.457 3.760 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)Nc3ccc4[nH]c(C)cc4c3)c2)n[n-]1 ZINC000433234263 979166433 /nfs/dbraw/zinc/16/64/33/979166433.db2.gz RHYAWOMQPAYFRG-UHFFFAOYSA-N -1 3 418.457 3.760 20 0 HHADHM Cc1nc(C(C)C)oc1C(=O)[N-]c1ncn(Cc2ccc(Br)cc2)n1 ZINC000433243007 979173747 /nfs/dbraw/zinc/17/37/47/979173747.db2.gz VGUFLOLPMOWQEO-UHFFFAOYSA-N -1 3 404.268 3.761 20 0 HHADHM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ncccc3Br)cc(Cl)c2O1 ZINC000433390728 979271003 /nfs/dbraw/zinc/27/10/03/979271003.db2.gz PGYSKWGHHQGFFW-QMMMGPOBSA-N -1 3 403.685 3.622 20 0 HHADHM CC(C)Oc1ccc(Br)cc1NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000433639601 979443685 /nfs/dbraw/zinc/44/36/85/979443685.db2.gz YMYCXAGGILNIOF-UHFFFAOYSA-N -1 3 418.247 3.764 20 0 HHADHM CCCCCN([C@@H](C)CCC)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000433652613 979454797 /nfs/dbraw/zinc/45/47/97/979454797.db2.gz DPAHWQKSLCISGJ-AWEZNQCLSA-N -1 3 408.561 3.567 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@H](c2cccnc2)C(C)C)s1 ZINC000433728503 979523407 /nfs/dbraw/zinc/52/34/07/979523407.db2.gz BRUPOCKDFZPQDS-ZDUSSCGKSA-N -1 3 403.367 3.932 20 0 HHADHM O=S(=O)([N-]Cc1csc(CCc2ccccc2)n1)c1cc(F)c(F)c(F)c1 ZINC000433759469 979554205 /nfs/dbraw/zinc/55/42/05/979554205.db2.gz WNYSOARNORTVJK-UHFFFAOYSA-N -1 3 412.458 3.824 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCCO[C@@H]2C(C)(C)C)sc1Br ZINC000433810615 979591676 /nfs/dbraw/zinc/59/16/76/979591676.db2.gz FWNBMOWFZHBOMP-AAEUAGOBSA-N -1 3 410.399 3.939 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCN(c3ccccc3)C2)sc1Br ZINC000433827646 979606464 /nfs/dbraw/zinc/60/64/64/979606464.db2.gz BMVKYDHDKBNNRQ-ZDUSSCGKSA-N -1 3 415.378 3.624 20 0 HHADHM O=C(CCSc1ccnc2cc(Cl)ccc21)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000434007080 979754393 /nfs/dbraw/zinc/75/43/93/979754393.db2.gz SSMQHWRVEMOQSV-UHFFFAOYSA-N -1 3 424.917 3.867 20 0 HHADHM O=C(CCSc1ccnc2cc(Cl)ccc21)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000434007080 979754398 /nfs/dbraw/zinc/75/43/98/979754398.db2.gz SSMQHWRVEMOQSV-UHFFFAOYSA-N -1 3 424.917 3.867 20 0 HHADHM COC(=O)c1sc2[n-]c(CN3CC[C@@](C)(c4ccc(C)cc4)C3)nc(=O)c2c1C ZINC000434738687 980372243 /nfs/dbraw/zinc/37/22/43/980372243.db2.gz SWBIZLVZRUZCJU-JOCHJYFZSA-N -1 3 411.527 3.552 20 0 HHADHM O=C1C[C@@H](c2cccc([N-]S(=O)(=O)c3ccc(OCc4ccccc4)cc3)c2)CN1 ZINC000435133996 980665571 /nfs/dbraw/zinc/66/55/71/980665571.db2.gz UZWSBJQAXICJSO-LJQANCHMSA-N -1 3 422.506 3.670 20 0 HHADHM CC(C)[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1Br)c1cccnc1 ZINC000435223671 980732165 /nfs/dbraw/zinc/73/21/65/980732165.db2.gz BCWJLRFUZFYKPB-AWEZNQCLSA-N -1 3 401.301 3.701 20 0 HHADHM O=S(=O)([N-]Cc1ncoc1-c1ccccc1)c1cc(F)ccc1Br ZINC000435229298 980736244 /nfs/dbraw/zinc/73/62/44/980736244.db2.gz GJRKFOSZOSCBHU-UHFFFAOYSA-N -1 3 411.252 3.722 20 0 HHADHM CC(C)[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)c1nnc2ccccn21 ZINC000435429995 980858512 /nfs/dbraw/zinc/85/85/12/980858512.db2.gz XGFKJCXLTMKMFL-CQSZACIVSA-N -1 3 417.293 3.851 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H]3CCCCO3)ccc2C)cc1 ZINC000435432191 980859598 /nfs/dbraw/zinc/85/95/98/980859598.db2.gz MEILIZFXQITLFE-IBGZPJMESA-N -1 3 418.515 3.702 20 0 HHADHM COC(=O)[C@H](C)[C@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)c1ccccc1 ZINC000435440309 980863814 /nfs/dbraw/zinc/86/38/14/980863814.db2.gz VNRNQBCVUZGDKF-BMIGLBTASA-N -1 3 420.289 3.961 20 0 HHADHM COc1cccc(C(=O)c2ccc(C(=O)Nc3ccccc3[N-]S(C)(=O)=O)cc2)c1 ZINC000435940254 981103947 /nfs/dbraw/zinc/10/39/47/981103947.db2.gz WTUOWFYQLOMMEV-UHFFFAOYSA-N -1 3 424.478 3.550 20 0 HHADHM C[C@@H](NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1cc2ccccc2s1 ZINC000436485457 981395880 /nfs/dbraw/zinc/39/58/80/981395880.db2.gz GVYNYIFZSVRYKK-OAHLLOKOSA-N -1 3 409.511 3.836 20 0 HHADHM C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@@H]2C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)o1 ZINC000436485955 981396681 /nfs/dbraw/zinc/39/66/81/981396681.db2.gz MDDYNSIWVIXDNT-FCLVOEFKSA-N -1 3 408.498 3.633 20 0 HHADHM COc1cccc(Oc2ccc(NC(=O)NCCNC(=O)c3ccc([O-])cc3)cc2)c1 ZINC000436510319 981409850 /nfs/dbraw/zinc/40/98/50/981409850.db2.gz CROJPFKDZMYSMJ-UHFFFAOYSA-N -1 3 421.453 3.745 20 0 HHADHM Cc1cccc(CN(C)C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)n1 ZINC000436523004 981415908 /nfs/dbraw/zinc/41/59/08/981415908.db2.gz PNSDDWOWYBVRPA-QFIPXVFZSA-N -1 3 403.482 3.615 20 0 HHADHM Oc1ccc(CCc2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)cc1 ZINC000436524215 981416827 /nfs/dbraw/zinc/41/68/27/981416827.db2.gz ZKZSTQUEURVZLH-UHFFFAOYSA-N -1 3 412.247 3.775 20 0 HHADHM CCO[C@@H]1C[C@@H](NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C12CCC2 ZINC000436526037 981419025 /nfs/dbraw/zinc/41/90/25/981419025.db2.gz IBSKKZRXFRRGED-YPAWHYETSA-N -1 3 422.525 3.717 20 0 HHADHM CC(C)Cn1cc(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cn1 ZINC000436527029 981420003 /nfs/dbraw/zinc/42/00/03/981420003.db2.gz KNICEGFWDDMHFP-OAQYLSRUSA-N -1 3 406.486 3.745 20 0 HHADHM CC[C@@H](NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1nccs1 ZINC000436527731 981420093 /nfs/dbraw/zinc/42/00/93/981420093.db2.gz UYJRBTZMIQOPMD-MOPGFXCFSA-N -1 3 409.511 3.977 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCC[C@@]2(CCCOC2)C1 ZINC000436529448 981421757 /nfs/dbraw/zinc/42/17/57/981421757.db2.gz ROHHOPDMWVSBOV-WIOPSUGQSA-N -1 3 422.525 3.673 20 0 HHADHM O=C(Nc1ccc2c3c(cccc31)CC2)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436531121 981423372 /nfs/dbraw/zinc/42/33/72/981423372.db2.gz DPYMJHKWFDSPFG-UHFFFAOYSA-N -1 3 401.466 3.634 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@H](CCO)C1CCCCC1 ZINC000436533289 981425257 /nfs/dbraw/zinc/42/52/57/981425257.db2.gz IMLPCCPYBWUCFW-PKTZIBPZSA-N -1 3 424.541 3.701 20 0 HHADHM C[C@H](NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccc(Cl)cc1Cl ZINC000436534570 981425938 /nfs/dbraw/zinc/42/59/38/981425938.db2.gz KPZSGPOJBFGTMZ-ZDUSSCGKSA-N -1 3 422.312 3.928 20 0 HHADHM Cc1ccc(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1C(F)(F)F ZINC000436536782 981427539 /nfs/dbraw/zinc/42/75/39/981427539.db2.gz QGGFXAUAPSZIJY-UHFFFAOYSA-N -1 3 407.392 3.709 20 0 HHADHM Cc1nnc(Sc2ccc(NC(=O)c3cc4c(cc3[O-])OCO4)c(C)c2)s1 ZINC000436542620 981431955 /nfs/dbraw/zinc/43/19/55/981431955.db2.gz IBTDXHHAFKCYNY-UHFFFAOYSA-N -1 3 401.469 3.993 20 0 HHADHM CC(C)(C)C(=O)NC[C@@H]1CCCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000436549350 981435590 /nfs/dbraw/zinc/43/55/90/981435590.db2.gz WJLYUVUDARPARZ-FQEVSTJZSA-N -1 3 408.542 3.998 20 0 HHADHM C[C@@H]1CN(C[C@H]2CCCN2C(=O)c2cc(Oc3ccccc3)ccc2[O-])C[C@H](C)O1 ZINC000436551491 981437191 /nfs/dbraw/zinc/43/71/91/981437191.db2.gz ZRELJHHWMWBCGW-CEXWTWQISA-N -1 3 410.514 3.898 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCc2cc(F)ccc2C1 ZINC000436552668 981438104 /nfs/dbraw/zinc/43/81/04/981438104.db2.gz APLIAMGMSPQGFV-QHCPKHFHSA-N -1 3 418.468 3.977 20 0 HHADHM O=C(N[C@@H](CC(=O)N1CCC(C(F)F)CC1)c1ccccc1)c1ccc([O-])cc1 ZINC000436552766 981438196 /nfs/dbraw/zinc/43/81/96/981438196.db2.gz BBVDRJBSKJWSOI-IBGZPJMESA-N -1 3 402.441 3.757 20 0 HHADHM C[C@@H](Cc1ccc(O)cc1)NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436554183 981439406 /nfs/dbraw/zinc/43/94/06/981439406.db2.gz DXAIHNSKIACGEP-GAJHUEQPSA-N -1 3 418.493 3.706 20 0 HHADHM C[C@@H](CNc1ccccc1)NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436555370 981441222 /nfs/dbraw/zinc/44/12/22/981441222.db2.gz IHUZSBJJZUWVLY-MBSDFSHPSA-N -1 3 417.509 3.870 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCc2ccc(F)cc2C1 ZINC000436559434 981443996 /nfs/dbraw/zinc/44/39/96/981443996.db2.gz VYDVQAFIJXXDBU-QHCPKHFHSA-N -1 3 418.468 3.977 20 0 HHADHM Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)c1cc2c(cc1[O-])OCO2 ZINC000436560817 981444579 /nfs/dbraw/zinc/44/45/79/981444579.db2.gz DAICXYVHRYKAQN-ZIAGYGMSSA-N -1 3 410.470 3.800 20 0 HHADHM O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1ccc(Br)cc1[O-] ZINC000436561781 981445584 /nfs/dbraw/zinc/44/55/84/981445584.db2.gz KFLUJDPMKFYUIG-UHFFFAOYSA-N -1 3 407.283 3.688 20 0 HHADHM COc1ccc(CN(C(=O)c2cc(OC)ccc2[O-])c2nccs2)c(OC)c1 ZINC000436582721 981459500 /nfs/dbraw/zinc/45/95/00/981459500.db2.gz JCRMQUJVSWBEHI-UHFFFAOYSA-N -1 3 400.456 3.722 20 0 HHADHM COC(=O)CCN(Cc1ccncc1)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436583421 981460002 /nfs/dbraw/zinc/46/00/02/981460002.db2.gz KFMXKYFVENZAEH-UHFFFAOYSA-N -1 3 406.438 3.785 20 0 HHADHM COCC[C@@H](NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1ccco1 ZINC000436594714 981465126 /nfs/dbraw/zinc/46/51/26/981465126.db2.gz ILSMXAYAOMNLKQ-RTWAWAEBSA-N -1 3 422.481 3.740 20 0 HHADHM CN(Cc1noc(-c2cc3ccccc3cc2[O-])n1)S(=O)(=O)c1ccc(F)cc1 ZINC000436597602 981466195 /nfs/dbraw/zinc/46/61/95/981466195.db2.gz VZRCBESUPCKXLW-UHFFFAOYSA-N -1 3 413.430 3.555 20 0 HHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCC(C(=O)N2CCCC2)CC1 ZINC000436601007 981468026 /nfs/dbraw/zinc/46/80/26/981468026.db2.gz HQWWUAJERHCIDQ-UHFFFAOYSA-N -1 3 406.526 3.652 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CC2(CCC2(F)F)C1 ZINC000436603881 981469700 /nfs/dbraw/zinc/46/97/00/981469700.db2.gz BVEBTUXNVAKENH-SFHVURJKSA-N -1 3 400.425 3.511 20 0 HHADHM C[C@H](O)C[C@H]1CCCCCN1C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436607272 981471623 /nfs/dbraw/zinc/47/16/23/981471623.db2.gz IFDACVZFGYDVIZ-ZEYPLWLESA-N -1 3 424.541 3.796 20 0 HHADHM NC(=O)c1cc(-c2csc(NC(=O)c3cc(Cc4ccccc4)ccc3[O-])n2)c[nH]1 ZINC000436608353 981471735 /nfs/dbraw/zinc/47/17/35/981471735.db2.gz HIHCFYBQPPYSOI-UHFFFAOYSA-N -1 3 418.478 3.786 20 0 HHADHM CCN(Cc1ccncc1)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436617135 981476577 /nfs/dbraw/zinc/47/65/77/981476577.db2.gz HJGAAVOVKKOERR-JOCHJYFZSA-N -1 3 403.482 3.697 20 0 HHADHM C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])c1ncc(-c2ccccc2)o1 ZINC000436616740 981476666 /nfs/dbraw/zinc/47/66/66/981476666.db2.gz FUXBOENDYGVQRC-MAUKXSAKSA-N -1 3 405.454 3.529 20 0 HHADHM CCC(C)(C)NC(=O)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000436617878 981477341 /nfs/dbraw/zinc/47/73/41/981477341.db2.gz PGYOOYMTHBWAAQ-IBGZPJMESA-N -1 3 423.513 3.554 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCc2c1cccc2F ZINC000436621105 981479122 /nfs/dbraw/zinc/47/91/22/981479122.db2.gz BBHFPZMTWKOTBE-NRFANRHFSA-N -1 3 404.441 3.982 20 0 HHADHM O=C(NCCCOc1ccc2ccccc2c1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436622985 981480179 /nfs/dbraw/zinc/48/01/79/981480179.db2.gz FNZPQEYIOQYPDV-JOCHJYFZSA-N -1 3 418.493 3.735 20 0 HHADHM CC[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])Oc1ccccc1Cl ZINC000436623512 981480362 /nfs/dbraw/zinc/48/03/62/981480362.db2.gz GUFAJESENBIMEU-YJBOKZPZSA-N -1 3 416.905 3.624 20 0 HHADHM CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436626693 981482020 /nfs/dbraw/zinc/48/20/20/981482020.db2.gz QFNBWEWAEHHVKF-DCPHZVHLSA-N -1 3 416.905 3.543 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCOc2cc(F)ccc21 ZINC000436628097 981482568 /nfs/dbraw/zinc/48/25/68/981482568.db2.gz WTWGTRZVETWDPD-FQEVSTJZSA-N -1 3 420.440 3.818 20 0 HHADHM O=C(Nc1nc(-c2ccccc2F)cs1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436630333 981483154 /nfs/dbraw/zinc/48/31/54/981483154.db2.gz MPSJZADKRUGXBX-QGZVFWFLSA-N -1 3 411.458 3.898 20 0 HHADHM O=C(c1ccc([O-])cc1)N1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000436630965 981483678 /nfs/dbraw/zinc/48/36/78/981483678.db2.gz RDBXTXNDQIJEND-UHFFFAOYSA-N -1 3 416.521 3.956 20 0 HHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1cc(C2CC2)nc2ccccc21 ZINC000436635297 981485766 /nfs/dbraw/zinc/48/57/66/981485766.db2.gz SPBYTMAIQVRZKN-UHFFFAOYSA-N -1 3 415.493 3.852 20 0 HHADHM C[C@H](Cc1ccccc1Cl)C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436639244 981488337 /nfs/dbraw/zinc/48/83/37/981488337.db2.gz BNAJSGDZIQEOFQ-OAHLLOKOSA-N -1 3 400.906 3.645 20 0 HHADHM Cc1nc(-c2cccs2)ccc1C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436638970 981488395 /nfs/dbraw/zinc/48/83/95/981488395.db2.gz AGMUWRHRNYDFTC-UHFFFAOYSA-N -1 3 421.522 3.859 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)N[C@@H](c2cccc(Cl)c2)c2ccccn2)c([O-])c1 ZINC000436640273 981488935 /nfs/dbraw/zinc/48/89/35/981488935.db2.gz UXLGPPUAUWBZHR-QFIPXVFZSA-N -1 3 423.900 3.775 20 0 HHADHM O=C(c1c([O-])cccc1O)N1CCN(c2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC000436649843 981491793 /nfs/dbraw/zinc/49/17/93/981491793.db2.gz UOBOQGHBKONBNO-UHFFFAOYSA-N -1 3 422.456 3.778 20 0 HHADHM O=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(C(=O)c2c([O-])cccc2O)CC1 ZINC000436649196 981491861 /nfs/dbraw/zinc/49/18/61/981491861.db2.gz TZGWWUMJVHCHEY-UHFFFAOYSA-N -1 3 409.269 3.896 20 0 HHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CC[C@](CO)(c2ccccc2)C1 ZINC000436659312 981496135 /nfs/dbraw/zinc/49/61/35/981496135.db2.gz ZUCIZWSHFQFVOQ-SANMLTNESA-N -1 3 401.506 3.954 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCC1(C(F)(F)F)CC1 ZINC000436660141 981497058 /nfs/dbraw/zinc/49/70/58/981497058.db2.gz BLELYSDDZQYIQY-QGZVFWFLSA-N -1 3 406.404 3.712 20 0 HHADHM CCN(Cc1cc(Br)ccc1F)C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000436662727 981498291 /nfs/dbraw/zinc/49/82/91/981498291.db2.gz JRPPTQZHEOBKKP-UHFFFAOYSA-N -1 3 412.255 3.973 20 0 HHADHM CN(C(=O)c1cc(F)ccc1[O-])[C@@H]1CCCC[C@H]1N(C)C(=O)c1cc(F)ccc1O ZINC000436663090 981499300 /nfs/dbraw/zinc/49/93/00/981499300.db2.gz KNBADDFYEAYDTK-QZTJIDSGSA-N -1 3 418.440 3.531 20 0 HHADHM O=C(c1ccc(O)cc1[O-])N1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000436663633 981499337 /nfs/dbraw/zinc/49/93/37/981499337.db2.gz HUJTTWXQUPSBKP-UHFFFAOYSA-N -1 3 400.784 3.732 20 0 HHADHM Cc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2N(C)C(=O)c2ccc(C)cc2O)c([O-])c1 ZINC000436664914 981499933 /nfs/dbraw/zinc/49/99/33/981499933.db2.gz PTCSRKNALZWCRM-BGYRXZFFSA-N -1 3 410.514 3.870 20 0 HHADHM Cc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2N(C)C(=O)c2ccc(C)cc2O)c([O-])c1 ZINC000436664914 981499934 /nfs/dbraw/zinc/49/99/34/981499934.db2.gz PTCSRKNALZWCRM-BGYRXZFFSA-N -1 3 410.514 3.870 20 0 HHADHM O=C(NCCNC(=O)c1cccc(F)c1Sc1ccccc1)c1ccc([O-])cc1 ZINC000436672046 981503973 /nfs/dbraw/zinc/50/39/73/981503973.db2.gz LIXPRMALORVYHU-UHFFFAOYSA-N -1 3 410.470 3.842 20 0 HHADHM CCCCOc1ccc(C(=O)NC2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)c([O-])c1 ZINC000436676986 981506869 /nfs/dbraw/zinc/50/68/69/981506869.db2.gz VEEAJOKRQUTZJD-UHFFFAOYSA-N -1 3 419.909 3.587 20 0 HHADHM CCOc1cccc([C@H](C)NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])c1 ZINC000436676320 981506987 /nfs/dbraw/zinc/50/69/87/981506987.db2.gz ZMMIMMKSJWSRDC-ZDUSSCGKSA-N -1 3 409.442 3.831 20 0 HHADHM O=C(NCCNC(=O)c1cccc(OCc2cccc(Cl)c2)c1)c1ccc([O-])cc1 ZINC000436678918 981507404 /nfs/dbraw/zinc/50/74/04/981507404.db2.gz DQLFLSNRBGASJH-UHFFFAOYSA-N -1 3 424.884 3.784 20 0 HHADHM O=C(c1cccc(-c2c(F)cccc2F)c1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436686959 981512494 /nfs/dbraw/zinc/51/24/94/981512494.db2.gz GKOJLDUPJLPNOT-UHFFFAOYSA-N -1 3 422.431 3.936 20 0 HHADHM COc1ccc2c(c1)CCC[C@@H]2c1noc(CCNC(=O)c2ccc(C)cc2[O-])n1 ZINC000436690280 981514409 /nfs/dbraw/zinc/51/44/09/981514409.db2.gz PUHPKZVMNROADE-SFHVURJKSA-N -1 3 407.470 3.533 20 0 HHADHM CCOc1ccc(C2=CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436695453 981517876 /nfs/dbraw/zinc/51/78/76/981517876.db2.gz FQIJOMZHHHAUPM-QFIPXVFZSA-N -1 3 420.509 3.711 20 0 HHADHM COC(=O)C[C@](C)(NC(=O)c1cc(Oc2ccccc2)ccc1[O-])c1ccncc1 ZINC000436705682 981522008 /nfs/dbraw/zinc/52/20/08/981522008.db2.gz SSLMQNYPDLUBGZ-QHCPKHFHSA-N -1 3 406.438 3.788 20 0 HHADHM O=C(Nc1cccc(OCc2cccnc2)c1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436707360 981522743 /nfs/dbraw/zinc/52/27/43/981522743.db2.gz GKFWONDAWPREEZ-NRFANRHFSA-N -1 3 417.465 3.610 20 0 HHADHM Cc1ccc2c(CCC(=O)NC3CCN(C(=O)c4ccccc4[O-])CC3)c[nH]c2c1 ZINC000436709534 981524145 /nfs/dbraw/zinc/52/41/45/981524145.db2.gz OAYHTDQHMNVURF-UHFFFAOYSA-N -1 3 405.498 3.536 20 0 HHADHM CC(C)c1ccc(C(=O)N(C)[C@H](C)c2ccc(N3CCCS3(=O)=O)cc2)c([O-])c1 ZINC000436710042 981524209 /nfs/dbraw/zinc/52/42/09/981524209.db2.gz XZYCIEOBTAKPRM-MRXNPFEDSA-N -1 3 416.543 3.889 20 0 HHADHM C[C@@]1(C2CC2)NC(=O)N(c2cccc(NC(=O)c3cc4c(cc3[O-])CCCC4)c2)C1=O ZINC000436711641 981525639 /nfs/dbraw/zinc/52/56/39/981525639.db2.gz JQOYHMFDBKJVGP-DEOSSOPVSA-N -1 3 419.481 3.748 20 0 HHADHM C[C@@H]1CC(CCNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C[C@@H](C)O1 ZINC000436714672 981526776 /nfs/dbraw/zinc/52/67/76/981526776.db2.gz MVWLCDUTHJEODK-PNCHPQGNSA-N -1 3 424.541 3.963 20 0 HHADHM COc1cc(OC)cc(C2(F)CCN(C(=O)c3cc(OC)c([O-])c(OC)c3)CC2)c1 ZINC000436724200 981532632 /nfs/dbraw/zinc/53/26/32/981532632.db2.gz RSWUICWQXUTYPO-UHFFFAOYSA-N -1 3 419.449 3.528 20 0 HHADHM Cc1ccc(C(=O)Nc2ccc(CN3CCN(c4ccccn4)CC3)cc2)c([O-])c1 ZINC000436727074 981534244 /nfs/dbraw/zinc/53/42/44/981534244.db2.gz XHLUNLWIWWANMN-UHFFFAOYSA-N -1 3 402.498 3.670 20 0 HHADHM Cc1nc2sc3c(c2c(N2CCN(C(=O)c4ccccc4[O-])CC2)n1)CCCC3 ZINC000436734166 981537511 /nfs/dbraw/zinc/53/75/11/981537511.db2.gz ADPCVOTTWCCXPJ-UHFFFAOYSA-N -1 3 408.527 3.547 20 0 HHADHM O=C(Nc1cc(Cl)c(Cl)cn1)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436735013 981537629 /nfs/dbraw/zinc/53/76/29/981537629.db2.gz BHXQOZDFEFZMMQ-UHFFFAOYSA-N -1 3 409.273 3.520 20 0 HHADHM CCC(CC)(CNC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccccc1 ZINC000436739550 981539583 /nfs/dbraw/zinc/53/95/83/981539583.db2.gz OPZFJYMCZIJSGT-UHFFFAOYSA-N -1 3 409.530 3.618 20 0 HHADHM Cc1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(O)cc2[O-])c(Br)c1 ZINC000436740809 981540051 /nfs/dbraw/zinc/54/00/51/981540051.db2.gz RLENUVHYQFAVEN-MRXNPFEDSA-N -1 3 420.303 3.990 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccccc2O[C@H](C)C(F)(F)F)c([O-])c1 ZINC000436746661 981542623 /nfs/dbraw/zinc/54/26/23/981542623.db2.gz GRABSYMYYNKCDL-CYBMUJFWSA-N -1 3 410.392 3.789 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccccc2O[C@@H](C)C(F)(F)F)c([O-])c1 ZINC000436746662 981542667 /nfs/dbraw/zinc/54/26/67/981542667.db2.gz GRABSYMYYNKCDL-ZDUSSCGKSA-N -1 3 410.392 3.789 20 0 HHADHM O=C(Nc1ccc(Cl)cc1-n1cccc1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436748292 981543897 /nfs/dbraw/zinc/54/38/97/981543897.db2.gz OPFMDSOGLRVTBE-UHFFFAOYSA-N -1 3 424.888 3.826 20 0 HHADHM Cc1nc(CN2CCC(CNC(=O)c3ccc(C(F)(F)F)cc3[O-])CC2)oc1C ZINC000436751376 981545136 /nfs/dbraw/zinc/54/51/36/981545136.db2.gz LFGWDMGUCHTALI-UHFFFAOYSA-N -1 3 411.424 3.658 20 0 HHADHM CCNC(=O)COc1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])cc1 ZINC000436752398 981546007 /nfs/dbraw/zinc/54/60/07/981546007.db2.gz AECXEAQRNLHYPP-UHFFFAOYSA-N -1 3 420.465 3.738 20 0 HHADHM Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436762247 981550909 /nfs/dbraw/zinc/55/09/09/981550909.db2.gz BHXUPRCVHYOQAK-JOCHJYFZSA-N -1 3 419.525 3.741 20 0 HHADHM C[C@@H](CC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)Cc1ccc(Cl)cc1 ZINC000436769241 981554012 /nfs/dbraw/zinc/55/40/12/981554012.db2.gz YOPRXYNGVQMHQW-MRXNPFEDSA-N -1 3 400.906 3.599 20 0 HHADHM CC(C)(C)c1csc(NC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)n1 ZINC000436772897 981555680 /nfs/dbraw/zinc/55/56/80/981555680.db2.gz HBSAERMMOXKYQT-UHFFFAOYSA-N -1 3 402.520 3.573 20 0 HHADHM O=C(CCc1ccc(-c2ccccc2F)o1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436777008 981557142 /nfs/dbraw/zinc/55/71/42/981557142.db2.gz BEYSXKAINRCUDM-UHFFFAOYSA-N -1 3 422.456 3.709 20 0 HHADHM [O-]c1ccccc1-c1nc(CSc2nnc(NCCc3cccs3)s2)no1 ZINC000436780378 981558106 /nfs/dbraw/zinc/55/81/06/981558106.db2.gz ZYGXEPGRDJOMAM-UHFFFAOYSA-N -1 3 417.541 4.302 20 0 HHADHM Cn1ccnc1Sc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000436780872 981558744 /nfs/dbraw/zinc/55/87/44/981558744.db2.gz QUZCGUDYZLYCBK-SFHVURJKSA-N -1 3 422.510 3.520 20 0 HHADHM C[C@]12CCN(C(=O)C[C@H](NC(=O)c3ccc([O-])cc3)c3ccccc3)C[C@H]1C2(F)F ZINC000436789892 981561954 /nfs/dbraw/zinc/56/19/54/981561954.db2.gz MCARUOGGHJBZLQ-JQVVWYNYSA-N -1 3 414.452 3.757 20 0 HHADHM CC1(C)CN(C(=O)C2CC2)CCN1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436793779 981564905 /nfs/dbraw/zinc/56/49/05/981564905.db2.gz SPUYYGFZLUVFCC-UHFFFAOYSA-N -1 3 406.526 3.650 20 0 HHADHM Cc1ccc(C(=O)N2CCN(Cc3csc(-c4ccc(F)cc4)n3)CC2)c([O-])c1 ZINC000436797140 981566187 /nfs/dbraw/zinc/56/61/87/981566187.db2.gz MKACYKOBFSEVOD-UHFFFAOYSA-N -1 3 411.502 3.921 20 0 HHADHM COc1ccc2ccc(C(=O)NC3CCN(C(=O)c4ccccc4[O-])CC3)cc2c1 ZINC000436805486 981569892 /nfs/dbraw/zinc/56/98/92/981569892.db2.gz DEKRKGNMDSVZDM-UHFFFAOYSA-N -1 3 404.466 3.589 20 0 HHADHM CC(C)(C)[C@@H]1CN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCO1 ZINC000436806278 981570342 /nfs/dbraw/zinc/57/03/42/981570342.db2.gz UNGQNODZXFVTDW-RTWAWAEBSA-N -1 3 410.514 3.527 20 0 HHADHM Cc1ccc(C(=O)N2CCC(O)(Cc3ccc(OC(F)(F)F)cc3)CC2)c([O-])c1 ZINC000436812228 981572369 /nfs/dbraw/zinc/57/23/69/981572369.db2.gz AQYJBHPETOBYKB-UHFFFAOYSA-N -1 3 409.404 3.809 20 0 HHADHM O=C(CNC(=O)c1cccc(O)c1)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000436816894 981574547 /nfs/dbraw/zinc/57/45/47/981574547.db2.gz GSVBKKGCSYTACQ-UHFFFAOYSA-N -1 3 419.462 3.743 20 0 HHADHM C[C@]1(CNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCO[C@H]1C1CC1 ZINC000436819305 981575934 /nfs/dbraw/zinc/57/59/34/981575934.db2.gz XWYWUOMQOGCEAP-NMVJMZGASA-N -1 3 422.525 3.575 20 0 HHADHM C[C@]1(CNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCO[C@H]1C1CC1 ZINC000436819312 981576062 /nfs/dbraw/zinc/57/60/62/981576062.db2.gz XWYWUOMQOGCEAP-UMXIMWEHSA-N -1 3 422.525 3.575 20 0 HHADHM O=C(Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1cc2c(cc1[O-])OCO2 ZINC000436823159 981577166 /nfs/dbraw/zinc/57/71/66/981577166.db2.gz ZQMZYQINJZYRLA-UHFFFAOYSA-N -1 3 409.295 3.717 20 0 HHADHM CCOc1cc(-c2noc([C@@H]3CCn4cncc4C3)n2)cc(Br)c1[O-] ZINC000436826773 981578666 /nfs/dbraw/zinc/57/86/66/981578666.db2.gz QBTROVZYXCMUBV-SNVBAGLBSA-N -1 3 405.252 3.530 20 0 HHADHM COc1ccc2oc([C@@H](C)NC(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])c(C)c2c1 ZINC000436836800 981583699 /nfs/dbraw/zinc/58/36/99/981583699.db2.gz NDEQOGAIUYROQJ-DNVCBOLYSA-N -1 3 422.481 3.937 20 0 HHADHM O=C(N[C@@H]1CCCN(c2cccnc2)C1=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436838719 981584366 /nfs/dbraw/zinc/58/43/66/981584366.db2.gz NQTCENISMUAUKX-HXUWFJFHSA-N -1 3 403.438 3.505 20 0 HHADHM O=C(Nc1ccccc1)[C@@H](c1ccccc1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436843927 981586220 /nfs/dbraw/zinc/58/62/20/981586220.db2.gz BQJXYMKTRZKCJV-HSZRJFAPSA-N -1 3 415.493 3.530 20 0 HHADHM O=C(Nc1ccc2[nH]c(-c3ccco3)nc2c1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436845464 981587356 /nfs/dbraw/zinc/58/73/56/981587356.db2.gz SOFOAUIGNWLLQT-GOSISDBHSA-N -1 3 416.437 3.772 20 0 HHADHM CSC[C@H]1CCCN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000436852031 981591332 /nfs/dbraw/zinc/59/13/32/981591332.db2.gz HIBJGEXKNCOUPZ-LAUBAEHRSA-N -1 3 412.555 3.855 20 0 HHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2C[C@H](c3cccc(C(F)(F)F)c3)OC[C@H]2C)c1 ZINC000436853175 981592279 /nfs/dbraw/zinc/59/22/79/981592279.db2.gz JSBSVRODGSMJCK-CWTRNNRKSA-N -1 3 422.403 3.972 20 0 HHADHM CSC[C@@H]1CCCN(C(=O)Cc2csc(NC(=O)c3cc(C)ccc3[O-])n2)C1 ZINC000436855004 981592834 /nfs/dbraw/zinc/59/28/34/981592834.db2.gz VWDUSLHAHNJMAC-CQSZACIVSA-N -1 3 419.572 3.554 20 0 HHADHM O=C(Nc1ccc(Oc2cccnc2)cc1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436861908 981596067 /nfs/dbraw/zinc/59/60/67/981596067.db2.gz WHPXXQYSPXDQSS-UHFFFAOYSA-N -1 3 418.453 3.569 20 0 HHADHM CC(=O)c1ccc(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)cc1O ZINC000436861915 981596086 /nfs/dbraw/zinc/59/60/86/981596086.db2.gz WJKOWFYWFVUHAG-UHFFFAOYSA-N -1 3 424.478 3.956 20 0 HHADHM CCCCOc1ccc(C(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)c([O-])c1 ZINC000436867452 981597118 /nfs/dbraw/zinc/59/71/18/981597118.db2.gz CMELXXWATVWESP-UHFFFAOYSA-N -1 3 411.907 3.558 20 0 HHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)C1(CCOCc2ccccc2)CC1 ZINC000436885876 981601420 /nfs/dbraw/zinc/60/14/20/981601420.db2.gz FOVIRGNLQLBPHQ-UHFFFAOYSA-N -1 3 422.525 3.500 20 0 HHADHM COc1cc(-c2nc(C3(NC(=O)c4ccccc4)CCCC3)no2)cc(OC)c1[O-] ZINC000436886439 981601498 /nfs/dbraw/zinc/60/14/98/981601498.db2.gz RRPDDCMNNMVEMY-UHFFFAOYSA-N -1 3 409.442 3.659 20 0 HHADHM C[C@@H]1CCC[C@@H](OCCCCCC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)C1 ZINC000436888302 981602232 /nfs/dbraw/zinc/60/22/32/981602232.db2.gz SPOZYVIVAOUDHP-WOJBJXKFSA-N -1 3 416.562 3.832 20 0 HHADHM Cc1cc(CN2C(=O)c3ccccc3C2=O)cc(-c2nc(-c3ccncc3)no2)c1[O-] ZINC000436895594 981604576 /nfs/dbraw/zinc/60/45/76/981604576.db2.gz XRGDQTCGOCEYIF-UHFFFAOYSA-N -1 3 412.405 3.609 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1ccc2c(c1)OCCO2 ZINC000436901279 981607848 /nfs/dbraw/zinc/60/78/48/981607848.db2.gz GORSYKCIJXWYRL-FQEVSTJZSA-N -1 3 418.449 3.663 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCc2ccccc2C1 ZINC000436903304 981609174 /nfs/dbraw/zinc/60/91/74/981609174.db2.gz MGYKRTUUIFLZII-QHCPKHFHSA-N -1 3 400.478 3.838 20 0 HHADHM CCCc1nnc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)s1 ZINC000436910385 981616020 /nfs/dbraw/zinc/61/60/20/981616020.db2.gz CPFMBEPOWPFPMJ-KRWDZBQOSA-N -1 3 410.499 3.696 20 0 HHADHM CCCc1nnc(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)s1 ZINC000436910387 981616322 /nfs/dbraw/zinc/61/63/22/981616322.db2.gz CPFMBEPOWPFPMJ-QGZVFWFLSA-N -1 3 410.499 3.696 20 0 HHADHM CCOc1cccc(CNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC000436910858 981616942 /nfs/dbraw/zinc/61/69/42/981616942.db2.gz OTVDIFCLYVGUMG-QHCPKHFHSA-N -1 3 418.493 3.969 20 0 HHADHM CO[C@@H](CNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1ccccc1 ZINC000436912787 981618532 /nfs/dbraw/zinc/61/85/32/981618532.db2.gz IGZSDXQDPWEVEZ-PKTZIBPZSA-N -1 3 418.493 3.757 20 0 HHADHM CN(C)c1ccccc1NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436913598 981619436 /nfs/dbraw/zinc/61/94/36/981619436.db2.gz VOGHMQVQMIBXGB-NRFANRHFSA-N -1 3 403.482 3.958 20 0 HHADHM COc1cccc(-c2nc(Cc3ccc(OCC(F)(F)F)c(OC)c3)no2)c1[O-] ZINC000436919280 981623836 /nfs/dbraw/zinc/62/38/36/981623836.db2.gz NGNDEHUDCGZRAJ-UHFFFAOYSA-N -1 3 410.348 3.991 20 0 HHADHM C[C@H](c1ccccn1)N(C)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436924690 981627108 /nfs/dbraw/zinc/62/71/08/981627108.db2.gz YCTILEMOQFMBJV-VGSWGCGISA-N -1 3 403.482 3.868 20 0 HHADHM CN(C(=O)c1ccncc1)c1ccc(-c2noc(-c3cc4c(cc3[O-])OCO4)n2)cc1 ZINC000436926546 981628686 /nfs/dbraw/zinc/62/86/86/981628686.db2.gz KFAOZJDXDBFQOD-UHFFFAOYSA-N -1 3 416.393 3.510 20 0 HHADHM CN(C(=O)c1ccc(NC(=O)c2ccc3ccccc3c2[O-])cc1)[C@H]1CCCN(C)C1 ZINC000436928846 981629509 /nfs/dbraw/zinc/62/95/09/981629509.db2.gz CLZGMEKMQAKMDU-FQEVSTJZSA-N -1 3 417.509 3.964 20 0 HHADHM CCN(CC)[C@@H](CNC(=O)C(=O)c1ccc([O-])cc1)c1ccc(C(F)(F)F)cc1 ZINC000436934789 981632585 /nfs/dbraw/zinc/63/25/85/981632585.db2.gz IAWZRLSEMVAEJK-SFHVURJKSA-N -1 3 408.420 3.793 20 0 HHADHM Cc1[nH]c2c(cc(C)cc2CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c1C ZINC000436942087 981636201 /nfs/dbraw/zinc/63/62/01/981636201.db2.gz ALSJSNIHDBMLKN-FQEVSTJZSA-N -1 3 405.498 3.720 20 0 HHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000436945233 981637775 /nfs/dbraw/zinc/63/77/75/981637775.db2.gz OTEVVDXEGKCWER-UHFFFAOYSA-N -1 3 417.509 3.787 20 0 HHADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)c2ccccc2NC2CCCCC2)CC1 ZINC000436958978 981648135 /nfs/dbraw/zinc/64/81/35/981648135.db2.gz BEVFGZOYOSGPMS-UHFFFAOYSA-N -1 3 407.514 3.735 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC[C@@H](C)c2ccc(F)cc2F)c1 ZINC000436959949 981648649 /nfs/dbraw/zinc/64/86/49/981648649.db2.gz BNTNYWVWMUEYMH-LLVKDONJSA-N -1 3 415.396 3.753 20 0 HHADHM O=C(Nc1cc(-c2ccccc2)ns1)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436964357 981652082 /nfs/dbraw/zinc/65/20/82/981652082.db2.gz GHRFDKYVEYLVAH-UHFFFAOYSA-N -1 3 422.510 3.942 20 0 HHADHM CC[C@@H](CNC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-])Oc1ccccc1C ZINC000436965852 981652776 /nfs/dbraw/zinc/65/27/76/981652776.db2.gz UMHTZPBSQVALFK-KRWDZBQOSA-N -1 3 423.469 3.837 20 0 HHADHM Cc1cc(NC(=O)c2cc(F)c([O-])c(F)c2)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000436968934 981655471 /nfs/dbraw/zinc/65/54/71/981655471.db2.gz WEXLDYQPHXSQTF-QGZVFWFLSA-N -1 3 412.440 3.875 20 0 HHADHM COc1cccc(C(=O)Nc2cccc(Oc3ncc(Br)cn3)c2)c1[O-] ZINC000436973270 981658682 /nfs/dbraw/zinc/65/86/82/981658682.db2.gz SLWHDSFPVCLLLI-UHFFFAOYSA-N -1 3 416.231 3.998 20 0 HHADHM CCCCOc1ccc(C(=O)NCc2nnc3ccc(C(F)(F)F)cn32)c([O-])c1 ZINC000436974173 981659428 /nfs/dbraw/zinc/65/94/28/981659428.db2.gz XFACWTPULGRUIK-UHFFFAOYSA-N -1 3 408.380 3.563 20 0 HHADHM CCOc1cc(Br)ccc1NC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000436975784 981660269 /nfs/dbraw/zinc/66/02/69/981660269.db2.gz MTZGQCQNAKGRTJ-UHFFFAOYSA-N -1 3 421.291 3.620 20 0 HHADHM Cc1nc2cc(NC(=O)Cc3csc(NC(=O)c4cc(C)ccc4[O-])n3)ccc2[nH]1 ZINC000436977963 981662720 /nfs/dbraw/zinc/66/27/20/981662720.db2.gz GZIUFGNMIRAEEJ-UHFFFAOYSA-N -1 3 421.482 3.775 20 0 HHADHM Cn1ccc([C@H](NC2CCN(C(=O)c3ccccc3[O-])CC2)c2ccc(Cl)cc2)n1 ZINC000436987147 981669406 /nfs/dbraw/zinc/66/94/06/981669406.db2.gz SQTVKJUWECYSOT-JOCHJYFZSA-N -1 3 424.932 3.763 20 0 HHADHM CCCCOc1ccc(C(=O)N(C)[C@H]2CCN(c3ccccc3F)C2=O)c([O-])c1 ZINC000436989098 981671087 /nfs/dbraw/zinc/67/10/87/981671087.db2.gz NJEZHXJHMCGEME-IBGZPJMESA-N -1 3 400.450 3.588 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H](c3cccc(C)c3)C2)c1 ZINC000436991249 981671592 /nfs/dbraw/zinc/67/15/92/981671592.db2.gz UUWPPWZDGRHGID-QGZVFWFLSA-N -1 3 405.454 3.879 20 0 HHADHM CS(=O)(=O)N1CCc2c1cccc2NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436992198 981672477 /nfs/dbraw/zinc/67/24/77/981672477.db2.gz VPDLDVBMCHMOEG-UHFFFAOYSA-N -1 3 424.478 3.759 20 0 HHADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)[C@H]1CCCCS1(=O)=O ZINC000436995142 981673941 /nfs/dbraw/zinc/67/39/41/981673941.db2.gz HKGLONMIGDDIDI-QGZVFWFLSA-N -1 3 402.497 3.575 20 0 HHADHM O=C(NCCCCc1ccc(Cl)s1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436997796 981676134 /nfs/dbraw/zinc/67/61/34/981676134.db2.gz AKCQHPBGGKBHMQ-UHFFFAOYSA-N -1 3 421.950 3.597 20 0 HHADHM CCCCc1nc(NC(=O)C2CCC(NC(=O)C(C)(C)C)CC2)c(C(=O)OCC)[n-]1 ZINC000448396098 981749616 /nfs/dbraw/zinc/74/96/16/981749616.db2.gz HQISXTHROXZNFY-UHFFFAOYSA-N -1 3 420.554 3.589 20 0 HHADHM Cc1noc(-c2ccc(C(F)(F)F)cc2NC(=O)CCc2c(C)nc(C)[n-]c2=O)n1 ZINC000448458746 981792440 /nfs/dbraw/zinc/79/24/40/981792440.db2.gz ZWYLJYCFLKLVRN-UHFFFAOYSA-N -1 3 421.379 3.748 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N(CCC(F)(F)F)CC2CC2)cc1OC ZINC000437176330 981831715 /nfs/dbraw/zinc/83/17/15/981831715.db2.gz NOQKAFHGFHBWRV-UHFFFAOYSA-N -1 3 423.457 3.653 20 0 HHADHM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(Cc3nnc4ccccn43)cc2)cc1C ZINC000437402335 982046624 /nfs/dbraw/zinc/04/66/24/982046624.db2.gz BVCMJMWHNBAQCR-UHFFFAOYSA-N -1 3 422.510 3.746 20 0 HHADHM CC(C)(CO)[C@@H](CNC(=O)NCc1ccc([O-])c(Br)c1)c1ccccc1 ZINC000437608659 982230336 /nfs/dbraw/zinc/23/03/36/982230336.db2.gz UYZFDUVIDPEKPV-INIZCTEOSA-N -1 3 421.335 3.756 20 0 HHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)c1cc(F)c(F)cc1F ZINC000437653726 982271555 /nfs/dbraw/zinc/27/15/55/982271555.db2.gz CFQUIULPZFPCFR-UHFFFAOYSA-N -1 3 412.311 3.747 20 0 HHADHM O=C(N[C@@H]1C[C@H]1c1ccc2ccccc2c1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000437813638 982373475 /nfs/dbraw/zinc/37/34/75/982373475.db2.gz FLFNRKJONTUBCG-FCHUYYIVSA-N -1 3 415.493 3.569 20 0 HHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CC[C@@H]3Cc3ccccc3)nc(=O)c2c1C ZINC000437827070 982385169 /nfs/dbraw/zinc/38/51/69/982385169.db2.gz CTFURJGCBFPWNH-GOEBONIOSA-N -1 3 411.527 3.848 20 0 HHADHM O=S(=O)([N-]c1ccccc1F)c1cccc(-c2nc(-c3ccc(F)cn3)no2)c1 ZINC000460620656 982397379 /nfs/dbraw/zinc/39/73/79/982397379.db2.gz IJHFHLUFHSIKNO-UHFFFAOYSA-N -1 3 414.393 3.878 20 0 HHADHM CCOCc1ccc(NC(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)cc1 ZINC000437843225 982399577 /nfs/dbraw/zinc/39/95/77/982399577.db2.gz QSCUJVTZZMVCBJ-UHFFFAOYSA-N -1 3 407.492 3.637 20 0 HHADHM CCc1ncc(S(=O)(=O)[N-]Cc2ccc(NC(=O)c3ccc(F)cc3)cc2)s1 ZINC000460914799 982651003 /nfs/dbraw/zinc/65/10/03/982651003.db2.gz UHHGCQLXROCVEY-UHFFFAOYSA-N -1 3 419.503 3.575 20 0 HHADHM CCc1ncc(S(=O)(=O)[N-][C@@H](c2nc3ccccc3n2C)c2ccccc2)s1 ZINC000460947318 982682868 /nfs/dbraw/zinc/68/28/68/982682868.db2.gz QXQDMSWEXHZZSH-LJQANCHMSA-N -1 3 412.540 3.660 20 0 HHADHM CCc1ncc(S(=O)(=O)[N-]Cc2cccc(NC(=O)c3ccc(F)cc3)c2)s1 ZINC000460952538 982686131 /nfs/dbraw/zinc/68/61/31/982686131.db2.gz CGTCJIAEXULARU-UHFFFAOYSA-N -1 3 419.503 3.575 20 0 HHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc4c(c3)[nH]c(=O)n4C3CCCC3)nc21 ZINC000438349306 982737936 /nfs/dbraw/zinc/73/79/36/982737936.db2.gz NTFWOOBEQCBPRO-UHFFFAOYSA-N -1 3 419.441 3.772 20 0 HHADHM C[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O)c1cccc(F)c1 ZINC000461105934 982796567 /nfs/dbraw/zinc/79/65/67/982796567.db2.gz DOUOXVVPTWBAKZ-SNVBAGLBSA-N -1 3 404.385 3.958 20 0 HHADHM Cc1oc(-c2cnn(C)c2)nc1C(=O)[N-]c1n[nH]c(-c2ccc(C(C)(C)C)cc2)n1 ZINC000438497063 982840185 /nfs/dbraw/zinc/84/01/85/982840185.db2.gz VGOQQDBPRQKIFF-UHFFFAOYSA-N -1 3 405.462 3.718 20 0 HHADHM COc1cnccc1[C@H](C)NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000438616806 982940500 /nfs/dbraw/zinc/94/05/00/982940500.db2.gz FLPQNNOSOVLDPW-HRAATJIYSA-N -1 3 419.481 3.534 20 0 HHADHM Cc1ccnc(Oc2cc(NC(=O)NCCNC(=O)c3ccc([O-])cc3)ccc2C)c1 ZINC000438686551 983001480 /nfs/dbraw/zinc/00/14/80/983001480.db2.gz OTYVHPOTAKESPT-UHFFFAOYSA-N -1 3 420.469 3.748 20 0 HHADHM Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000438693010 983006383 /nfs/dbraw/zinc/00/63/83/983006383.db2.gz DUVLPZUAMBIHBN-GOSISDBHSA-N -1 3 409.530 3.609 20 0 HHADHM O=C(Nc1ccccc1)[C@H](c1ccccc1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000438701613 983012673 /nfs/dbraw/zinc/01/26/73/983012673.db2.gz FXLQRAIJCOSBAG-QHCPKHFHSA-N -1 3 415.493 3.530 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cccc(C(=O)NC4CC4)c3)c2)n1 ZINC000438953600 983175475 /nfs/dbraw/zinc/17/54/75/983175475.db2.gz BCYKXMHCRNXRBE-UHFFFAOYSA-N -1 3 402.454 3.556 20 0 HHADHM CCN(Cc1ccccn1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000439054141 983229851 /nfs/dbraw/zinc/22/98/51/983229851.db2.gz DVJHCTDYLMTBPU-UHFFFAOYSA-N -1 3 413.474 3.684 20 0 HHADHM Cn1c2cc([O-])c(NC(=O)CCCOc3ccc(C(C)(C)C)cc3)cc2n(C)c1=O ZINC000461608229 983236167 /nfs/dbraw/zinc/23/61/67/983236167.db2.gz KRQPSXULFMYCMO-UHFFFAOYSA-N -1 3 411.502 3.678 20 0 HHADHM C[C@H](CC(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C)c1ccc(C(F)(F)F)cc1 ZINC000461610506 983237666 /nfs/dbraw/zinc/23/76/66/983237666.db2.gz AVADFBAMFADUMY-LLVKDONJSA-N -1 3 407.392 3.734 20 0 HHADHM C[C@@H](CC(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C)c1ccccc1C(F)(F)F ZINC000461628619 983249827 /nfs/dbraw/zinc/24/98/27/983249827.db2.gz SKFLLUMRTWRPCT-NSHDSACASA-N -1 3 407.392 3.734 20 0 HHADHM CCCOc1ccc(NC(=O)C(=O)Nc2cccc(-c3nc(CC)cc(=O)[n-]3)c2)cc1 ZINC000439159004 983281181 /nfs/dbraw/zinc/28/11/81/983281181.db2.gz WZWSFHOHGLITNC-UHFFFAOYSA-N -1 3 420.469 3.778 20 0 HHADHM COC(=O)c1sc2[n-]c(CN3CC[C@H](c4ccccc4)C[C@H]3C)nc(=O)c2c1C ZINC000439325056 983365911 /nfs/dbraw/zinc/36/59/11/983365911.db2.gz OTDSHYMNOATDNR-CJNGLKHVSA-N -1 3 411.527 3.848 20 0 HHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000439943842 983589765 /nfs/dbraw/zinc/58/97/65/983589765.db2.gz OMLLCVWCSFOVDB-UHFFFAOYSA-N -1 3 418.468 3.607 20 0 HHADHM Cc1ccc(NC(=O)C2CC2)cc1[N-]S(=O)(=O)c1ccc2c(c1)CC(C)(C)O2 ZINC000440277507 983704661 /nfs/dbraw/zinc/70/46/61/983704661.db2.gz CISXLHMZORFBHF-UHFFFAOYSA-N -1 3 400.500 3.858 20 0 HHADHM CCc1ccc([O-])c(C(=O)N2CCN(C(=O)Cc3cccc(Cl)c3)[C@H](C)C2)c1 ZINC000440294039 983709306 /nfs/dbraw/zinc/70/93/06/983709306.db2.gz QKXQBXYQQLPVDP-OAHLLOKOSA-N -1 3 400.906 3.524 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H]3CCCS3)ccc2C)cc1 ZINC000440354441 983731453 /nfs/dbraw/zinc/73/14/53/983731453.db2.gz CTCZQEBYFWGIHM-KRWDZBQOSA-N -1 3 406.529 3.639 20 0 HHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)[C@H]1C[C@@]12CCc1ccccc12 ZINC000440642971 983835248 /nfs/dbraw/zinc/83/52/48/983835248.db2.gz RHDPIJFVYPPCLQ-DNVCBOLYSA-N -1 3 424.444 3.920 20 0 HHADHM Cc1ccc(NC(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)c(Cl)c1 ZINC000441246097 984135982 /nfs/dbraw/zinc/13/59/82/984135982.db2.gz HCSXDGZXCIPOQV-UHFFFAOYSA-N -1 3 420.293 3.541 20 0 HHADHM C[C@H](Sc1ccccn1)C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000441519572 984299944 /nfs/dbraw/zinc/29/99/44/984299944.db2.gz VHQSEKRDDXCFOA-JTQLQIEISA-N -1 3 419.450 3.591 20 0 HHADHM O=C([N-]c1cc(Cl)cc(F)c1F)c1cc(Cn2cc(Br)cn2)on1 ZINC000441573341 984332522 /nfs/dbraw/zinc/33/25/22/984332522.db2.gz ZLZCGNMMIBXEAL-UHFFFAOYSA-N -1 3 417.597 3.866 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1nc2c(s1)C[C@H](c1ccccc1)CC2 ZINC000441914819 984536300 /nfs/dbraw/zinc/53/63/00/984536300.db2.gz BHNAAYWHMXJJBP-LLVKDONJSA-N -1 3 422.436 3.874 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1nc2c(s1)C[C@@H](c1ccccc1)CC2 ZINC000441914820 984536458 /nfs/dbraw/zinc/53/64/58/984536458.db2.gz BHNAAYWHMXJJBP-NSHDSACASA-N -1 3 422.436 3.874 20 0 HHADHM COc1ccccc1Nc1ccccc1C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000461632396 984652722 /nfs/dbraw/zinc/65/27/22/984652722.db2.gz PMPKNICKEGGTRI-UHFFFAOYSA-N -1 3 418.453 3.587 20 0 HHADHM Cc1sc(Br)c(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)c1C ZINC000442261032 984779024 /nfs/dbraw/zinc/77/90/24/984779024.db2.gz ODABVYLFJNNAGW-UHFFFAOYSA-N -1 3 403.323 3.751 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000461882020 984906506 /nfs/dbraw/zinc/90/65/06/984906506.db2.gz KOFIEHVMOAWASZ-UHFFFAOYSA-N -1 3 418.273 3.887 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cc(-c3ccccc3)ns2)cc1OC ZINC000461886148 984910203 /nfs/dbraw/zinc/91/02/03/984910203.db2.gz AQZXPKYGVBLYRC-UHFFFAOYSA-N -1 3 417.512 3.833 20 0 HHADHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)Nc2ccc(C(C)C)cc2)CCCC1 ZINC000462053221 985027096 /nfs/dbraw/zinc/02/70/96/985027096.db2.gz LXJCKFFNEDJUGU-UHFFFAOYSA-N -1 3 405.520 3.645 20 0 HHADHM O=S(=O)([N-]C[C@H]1CCN(c2ccccc2F)C1)c1c(Cl)cccc1Cl ZINC000462128929 985099794 /nfs/dbraw/zinc/09/97/94/985099794.db2.gz YTZBKWUKMJGZSD-GFCCVEGCSA-N -1 3 403.306 3.937 20 0 HHADHM C[C@H]1COCC[C@@H]1c1noc(-c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)n1 ZINC000442683113 985153363 /nfs/dbraw/zinc/15/33/63/985153363.db2.gz VDMVZIDAQPVAFR-BBRMVZONSA-N -1 3 417.462 3.817 20 0 HHADHM O=S(=O)([N-]C1(CCOCc2ccccc2)CC1)c1cnccc1C(F)(F)F ZINC000442733331 985192618 /nfs/dbraw/zinc/19/26/18/985192618.db2.gz CFRKQVDZJCMEFZ-UHFFFAOYSA-N -1 3 400.422 3.518 20 0 HHADHM O=S(=O)([N-][C@H]1CCC[C@H]1OCc1ccccc1)c1cnccc1C(F)(F)F ZINC000442737917 985194862 /nfs/dbraw/zinc/19/48/62/985194862.db2.gz BFPPZAGSOHSIFG-JKSUJKDBSA-N -1 3 400.422 3.517 20 0 HHADHM COc1ccc2c(c1)CCC[C@@H]2C[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000442737423 985194946 /nfs/dbraw/zinc/19/49/46/985194946.db2.gz NQGHKCKBTPJWNJ-CYBMUJFWSA-N -1 3 400.422 3.507 20 0 HHADHM CC[C@H](C[N-]S(=O)(=O)c1cnccc1C(F)(F)F)Oc1ccccc1Cl ZINC000442746950 985200310 /nfs/dbraw/zinc/20/03/10/985200310.db2.gz VCQCYMVWVHECNV-LLVKDONJSA-N -1 3 408.829 3.890 20 0 HHADHM CC(C)([N-]S(=O)(=O)c1cnccc1C(F)(F)F)c1nc(C(F)(F)F)cs1 ZINC000442760036 985207192 /nfs/dbraw/zinc/20/71/92/985207192.db2.gz SWMKSDDKRKHXII-UHFFFAOYSA-N -1 3 419.372 3.789 20 0 HHADHM O=S(=O)([N-]CCCO[C@H]1CCCc2ccccc21)c1cnccc1C(F)(F)F ZINC000442776024 985212237 /nfs/dbraw/zinc/21/22/37/985212237.db2.gz XOLICGFRNSZAFE-KRWDZBQOSA-N -1 3 414.449 3.863 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H]1CCOc2c(F)cccc21 ZINC000442785565 985214996 /nfs/dbraw/zinc/21/49/96/985214996.db2.gz UNLFSNRNEHRBAK-AWEZNQCLSA-N -1 3 421.471 3.629 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H](C)c1c(F)cccc1OC ZINC000442847953 985245270 /nfs/dbraw/zinc/24/52/70/985245270.db2.gz RCTKCOBEPRVOGT-LLVKDONJSA-N -1 3 423.487 3.875 20 0 HHADHM CCN(CC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)C1CC1 ZINC000442900573 985269466 /nfs/dbraw/zinc/26/94/66/985269466.db2.gz NEQKJXZCGFYYAU-UHFFFAOYSA-N -1 3 407.923 3.564 20 0 HHADHM O=S(=O)([N-][C@@H]1CCOc2c(F)ccc(F)c21)c1ccc(Br)s1 ZINC000462285458 985273205 /nfs/dbraw/zinc/27/32/05/985273205.db2.gz INFNOWKMLONEAL-SECBINFHSA-N -1 3 410.261 3.591 20 0 HHADHM CC(C)C[C@@H](NS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1cccs1 ZINC000442916833 985278901 /nfs/dbraw/zinc/27/89/01/985278901.db2.gz DODPGPGSLIKKOH-CQSZACIVSA-N -1 3 411.940 3.647 20 0 HHADHM CC(C)C[C@@H](NS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)c1cccs1 ZINC000442916833 985278908 /nfs/dbraw/zinc/27/89/08/985278908.db2.gz DODPGPGSLIKKOH-CQSZACIVSA-N -1 3 411.940 3.647 20 0 HHADHM Cc1ccc([C@@H](C)N(C)S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c(C)c1 ZINC000442929606 985285065 /nfs/dbraw/zinc/28/50/65/985285065.db2.gz SDARNGHHXAJMNE-CYBMUJFWSA-N -1 3 405.911 3.519 20 0 HHADHM Cc1ccc([C@@H](C)N(C)S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c(C)c1 ZINC000442929606 985285068 /nfs/dbraw/zinc/28/50/68/985285068.db2.gz SDARNGHHXAJMNE-CYBMUJFWSA-N -1 3 405.911 3.519 20 0 HHADHM COc1ccc([C@@H](C)CC[N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000462326445 985315879 /nfs/dbraw/zinc/31/58/79/985315879.db2.gz RZSJHVHHHRUBIG-NSHDSACASA-N -1 3 404.351 3.991 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@H]2CCCO[C@H]2C(C)(C)C)s1 ZINC000462331891 985322597 /nfs/dbraw/zinc/32/25/97/985322597.db2.gz DONFJSLAZVEFCK-WCQYABFASA-N -1 3 410.399 3.939 20 0 HHADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000443014407 985337659 /nfs/dbraw/zinc/33/76/59/985337659.db2.gz CBVQJESAFMCYIM-MRXNPFEDSA-N -1 3 422.915 3.651 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](c1ccccc1)c1ccc(F)cc1 ZINC000443014735 985337762 /nfs/dbraw/zinc/33/77/62/985337762.db2.gz CYWSVYWBLQUCMY-HXUWFJFHSA-N -1 3 417.433 3.819 20 0 HHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](c1ccccc1)c1ccncc1 ZINC000443021532 985340323 /nfs/dbraw/zinc/34/03/23/985340323.db2.gz UWSDHWOTHSQDDU-LJQANCHMSA-N -1 3 416.886 3.590 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]Cc1nccc2ccccc21 ZINC000443029029 985343485 /nfs/dbraw/zinc/34/34/85/985343485.db2.gz WDVASHFVZHDEEY-UHFFFAOYSA-N -1 3 412.492 3.715 20 0 HHADHM O=S(=O)(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000443029104 985343968 /nfs/dbraw/zinc/34/39/68/985343968.db2.gz WQXBSCFZUIXISY-KRWDZBQOSA-N -1 3 421.885 3.575 20 0 HHADHM O=S(=O)(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000443029104 985343981 /nfs/dbraw/zinc/34/39/81/985343981.db2.gz WQXBSCFZUIXISY-KRWDZBQOSA-N -1 3 421.885 3.575 20 0 HHADHM CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)C3)cc1 ZINC000462364724 985351796 /nfs/dbraw/zinc/35/17/96/985351796.db2.gz WGEIPPCHVYMWFG-AWEZNQCLSA-N -1 3 400.500 3.500 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cccc3c2CN([C@H](C)C(C)C)C3)cc1OC ZINC000462377625 985361559 /nfs/dbraw/zinc/36/15/59/985361559.db2.gz BRQZHIQKKZOSPG-OAHLLOKOSA-N -1 3 404.532 3.865 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]Cc1sc(-c2ccccc2)nc1C ZINC000443075429 985363820 /nfs/dbraw/zinc/36/38/20/985363820.db2.gz UZBOZGVGIYRPHD-UHFFFAOYSA-N -1 3 420.487 3.523 20 0 HHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]C1(c2ccc(Cl)cc2)CC1 ZINC000443081236 985365708 /nfs/dbraw/zinc/36/57/08/985365708.db2.gz OYDGEDJBYPLTBA-UHFFFAOYSA-N -1 3 400.283 3.748 20 0 HHADHM CCOc1ccccc1CC[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC ZINC000443084884 985367474 /nfs/dbraw/zinc/36/74/74/985367474.db2.gz IVKYTBYHMWARQY-UHFFFAOYSA-N -1 3 419.524 3.608 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000443090429 985370389 /nfs/dbraw/zinc/37/03/89/985370389.db2.gz FVJFGDCEYCZJAS-JTQLQIEISA-N -1 3 405.369 3.671 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H](C)c1cc(F)ccc1OC ZINC000443102236 985376005 /nfs/dbraw/zinc/37/60/05/985376005.db2.gz OEBVSEPZADRKEG-NSHDSACASA-N -1 3 423.487 3.875 20 0 HHADHM Cc1nn(C)c(C)c1C[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000462400390 985378297 /nfs/dbraw/zinc/37/82/97/985378297.db2.gz GQHKFGWVLRRFTO-SECBINFHSA-N -1 3 409.861 3.619 20 0 HHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H](c2ncc(C)s2)C2CC2)cc1Cl ZINC000462408455 985384007 /nfs/dbraw/zinc/38/40/07/985384007.db2.gz HMFQFNNMLDSRTM-OAHLLOKOSA-N -1 3 417.915 3.632 20 0 HHADHM COc1ccc(C)cc1CC[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000462476389 985433561 /nfs/dbraw/zinc/43/35/61/985433561.db2.gz SNVLWSJQQRNQDJ-UHFFFAOYSA-N -1 3 404.351 3.657 20 0 HHADHM C[C@H](Cc1cccc(Br)c1)[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000462514627 985465028 /nfs/dbraw/zinc/46/50/28/985465028.db2.gz ZZLGFOMIFNHVKS-SECBINFHSA-N -1 3 408.239 3.776 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@H](C)N(C)c2ccccc2)s1 ZINC000462545294 985493489 /nfs/dbraw/zinc/49/34/89/985493489.db2.gz CHZPQMOWZQWPBS-LLVKDONJSA-N -1 3 403.367 3.622 20 0 HHADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@@H](C)[C@H]2c2ccccc2)cc1 ZINC000462572917 985520307 /nfs/dbraw/zinc/52/03/07/985520307.db2.gz ODJIALAHQDRCCK-UZLBHIALSA-N -1 3 422.572 3.610 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)[C@H]3CC3(C)C)c2)cc1 ZINC000443410377 985567018 /nfs/dbraw/zinc/56/70/18/985567018.db2.gz ZMYJRSMCQGCLRY-QGZVFWFLSA-N -1 3 418.515 3.879 20 0 HHADHM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(OCC(F)(F)F)c(F)c3)ccc2O1 ZINC000443413732 985568733 /nfs/dbraw/zinc/56/87/33/985568733.db2.gz GPMVAVGCLAVACU-SNVBAGLBSA-N -1 3 405.369 3.891 20 0 HHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C[C@H](C)c2ccc(F)cc2F)cc1Cl ZINC000462656214 985596392 /nfs/dbraw/zinc/59/63/92/985596392.db2.gz GSRCQXIUKJVESE-VIFPVBQESA-N -1 3 420.840 3.798 20 0 HHADHM COc1cccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccc(C)c(Cl)c3)n2)c1 ZINC000462659297 985598881 /nfs/dbraw/zinc/59/88/81/985598881.db2.gz KXWBUWQATFFFFT-LBPRGKRZSA-N -1 3 407.879 3.747 20 0 HHADHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCC(=O)CC)c2)cc1 ZINC000467963058 985602851 /nfs/dbraw/zinc/60/28/51/985602851.db2.gz KCVUOFJRVBJQDC-UHFFFAOYSA-N -1 3 416.543 3.847 20 0 HHADHM O=S(=O)([N-][C@H]1CCO[C@H](c2ccccc2)C1)c1cc(F)ccc1Br ZINC000462679138 985617723 /nfs/dbraw/zinc/61/77/23/985617723.db2.gz HDMOTMLZGUCEPK-HOCLYGCPSA-N -1 3 414.296 3.787 20 0 HHADHM CCC(=O)NCc1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C)c2)ccc1OC ZINC000443455125 985624077 /nfs/dbraw/zinc/62/40/77/985624077.db2.gz PTZQLXDYRDULEZ-UHFFFAOYSA-N -1 3 420.531 3.618 20 0 HHADHM CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cccc(CSCC)c3)ccc2O1 ZINC000443456154 985625272 /nfs/dbraw/zinc/62/52/72/985625272.db2.gz UWKARRKMCCNZPY-IBGZPJMESA-N -1 3 421.540 3.607 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@H](C)Oc2ccc(F)cc2)s1 ZINC000462708866 985653120 /nfs/dbraw/zinc/65/31/20/985653120.db2.gz IIFIWVKBJJKSFF-SECBINFHSA-N -1 3 408.314 3.704 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000443493358 985667004 /nfs/dbraw/zinc/66/70/04/985667004.db2.gz RIORUXDRLZNVDO-JFIYKMOQSA-N -1 3 413.520 3.552 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCCC[C@@H]1Oc1cccc(C)c1 ZINC000443507746 985679152 /nfs/dbraw/zinc/67/91/52/985679152.db2.gz ITVUNYKMBNKISU-ROUUACIJSA-N -1 3 421.490 3.589 20 0 HHADHM COc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)c(O)c1 ZINC000443557809 985728593 /nfs/dbraw/zinc/72/85/93/985728593.db2.gz JXMBCRSRVIMBNG-UHFFFAOYSA-N -1 3 416.430 3.593 20 0 HHADHM O=C(Nc1ccc(OC(F)(F)F)cc1[O-])C(=O)c1ccc(Br)cc1 ZINC000443575119 985749456 /nfs/dbraw/zinc/74/94/56/985749456.db2.gz NLNYSWBHGWLHET-UHFFFAOYSA-N -1 3 404.138 3.875 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]CC2(C3CC3)CC2)c(Br)c1 ZINC000443745048 985959201 /nfs/dbraw/zinc/95/92/01/985959201.db2.gz IJVDYDSWXHHWCB-UHFFFAOYSA-N -1 3 423.170 3.989 20 0 HHADHM CCc1cc(=O)[n-]c(CN2CCc3cc(OC)c(OC)cc3[C@@H]2c2ccccc2)n1 ZINC000468276095 985975510 /nfs/dbraw/zinc/97/55/10/985975510.db2.gz GSEOIGIWJFGJIJ-DEOSSOPVSA-N -1 3 405.498 3.910 20 0 HHADHM CCc1cc(=O)[n-]c(CN2CCC(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)n1 ZINC000468274986 985975725 /nfs/dbraw/zinc/97/57/25/985975725.db2.gz TVNVVOPVMBQADH-UHFFFAOYSA-N -1 3 409.317 3.902 20 0 HHADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CC(c2ccccc2F)C1 ZINC000463022711 985982251 /nfs/dbraw/zinc/98/22/51/985982251.db2.gz VSRVWEKLSFWZOK-UHFFFAOYSA-N -1 3 401.235 3.669 20 0 HHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC[C@@H]3CCSC3)c2)cc1 ZINC000468458842 986152984 /nfs/dbraw/zinc/15/29/84/986152984.db2.gz JMWJYKWYONNDDW-INIZCTEOSA-N -1 3 404.557 3.587 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)c1 ZINC000463211695 986183493 /nfs/dbraw/zinc/18/34/93/986183493.db2.gz QMXQUNAEKAPGDJ-LAUBAEHRSA-N -1 3 421.453 3.591 20 0 HHADHM Cc1c(Br)cc(-c2nc(=O)c3c4c(sc3[n-]2)CSCC4)c(=O)n1C ZINC000463230372 986198594 /nfs/dbraw/zinc/19/85/94/986198594.db2.gz HPKZMAJAHWKMAA-UHFFFAOYSA-N -1 3 424.345 3.623 20 0 HHADHM O=C([N-]c1nnc(Cc2cccc(F)c2)s1)c1cn(-c2cccc(Cl)c2)nn1 ZINC000444008923 986204964 /nfs/dbraw/zinc/20/49/64/986204964.db2.gz AWURJFSLTWKPDT-UHFFFAOYSA-N -1 3 414.853 3.754 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CCC3CCOCC3)cc2)cc1 ZINC000463242720 986211102 /nfs/dbraw/zinc/21/11/02/986211102.db2.gz KYDZBSCODITUBG-UHFFFAOYSA-N -1 3 402.516 3.941 20 0 HHADHM COC(=O)c1cc(C)nc2nc(SCCOc3ccc(SC)cc3)[n-]c(=O)c12 ZINC000463250626 986219128 /nfs/dbraw/zinc/21/91/28/986219128.db2.gz PREUEXNJLDIYOW-UHFFFAOYSA-N -1 3 417.512 3.718 20 0 HHADHM Cc1c(CN2CCSCC2)cccc1[N-]S(=O)(=O)c1cccc2cnccc21 ZINC000444034368 986230922 /nfs/dbraw/zinc/23/09/22/986230922.db2.gz TXYFGBQIPLTDRC-UHFFFAOYSA-N -1 3 413.568 3.893 20 0 HHADHM CSCC[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1nnc2ccccn21 ZINC000468534060 986239478 /nfs/dbraw/zinc/23/94/78/986239478.db2.gz AZJSDVJFSQFBDF-MRXNPFEDSA-N -1 3 402.495 3.507 20 0 HHADHM Cc1nc(-c2ccc(C[N-]S(=O)(=O)c3cnc(-c4ccccc4)nc3)o2)cs1 ZINC000444056388 986256923 /nfs/dbraw/zinc/25/69/23/986256923.db2.gz DVJCPDSBFJQQFB-UHFFFAOYSA-N -1 3 412.496 3.647 20 0 HHADHM CCCN(CCc1ccccn1)C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000444136818 986326445 /nfs/dbraw/zinc/32/64/45/986326445.db2.gz FSARGIZSZPIPRK-UHFFFAOYSA-N -1 3 414.303 3.781 20 0 HHADHM COc1ccccc1CCN(C)C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000444167569 986343632 /nfs/dbraw/zinc/34/36/32/986343632.db2.gz FGYHFYNWXAOBTB-UHFFFAOYSA-N -1 3 415.287 3.614 20 0 HHADHM C[C@@H]1CN(Cc2csc(NC(=O)CCCc3ccc([O-])c(F)c3)n2)C[C@@H](C)O1 ZINC000468643174 986357788 /nfs/dbraw/zinc/35/77/88/986357788.db2.gz OIFSHUVBNHYHND-ZIAGYGMSSA-N -1 3 407.511 3.558 20 0 HHADHM CCOC(=O)c1ccc(NC(=O)c2ccc(C(=O)c3cccc(O)c3)cc2)c([O-])c1 ZINC000444245635 986438042 /nfs/dbraw/zinc/43/80/42/986438042.db2.gz KHMNFYTUWOFDEM-UHFFFAOYSA-N -1 3 405.406 3.758 20 0 HHADHM COC[C@@H](C)[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000463465269 986443733 /nfs/dbraw/zinc/44/37/33/986443733.db2.gz VZCAJSRTXKLRSC-SJORKVTESA-N -1 3 404.532 3.961 20 0 HHADHM CCc1cnc(CN(C)C(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)s1 ZINC000444282495 986470818 /nfs/dbraw/zinc/47/08/18/986470818.db2.gz ONZWBCFKDQAKFR-UHFFFAOYSA-N -1 3 411.405 3.718 20 0 HHADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CCC[C@@H]1[C@@H]1CCCCC1=O ZINC000444306317 986489743 /nfs/dbraw/zinc/48/97/43/986489743.db2.gz WEISQDPNHAFRFI-SUMWQHHRSA-N -1 3 417.303 3.655 20 0 HHADHM Cc1ccc(NC(=O)[C@H]2CCOC[C@@H]2C)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000444339954 986518587 /nfs/dbraw/zinc/51/85/87/986518587.db2.gz HFJOETRUYGLEPO-HOCLYGCPSA-N -1 3 406.479 3.546 20 0 HHADHM C[C@H](CN(C)C(=O)c1c[n-]c2ccc(Br)cc2c1=O)c1nccs1 ZINC000444369131 986546181 /nfs/dbraw/zinc/54/61/81/986546181.db2.gz QCYGHMMBQQENAC-SNVBAGLBSA-N -1 3 406.305 3.623 20 0 HHADHM C[C@@H](CN(C)C(=O)c1c[n-]c2ccc(Br)cc2c1=O)c1nccs1 ZINC000444369130 986546485 /nfs/dbraw/zinc/54/64/85/986546485.db2.gz QCYGHMMBQQENAC-JTQLQIEISA-N -1 3 406.305 3.623 20 0 HHADHM COC(=O)[C@@H](C)[C@H](NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)c1ccccc1 ZINC000444392151 986568006 /nfs/dbraw/zinc/56/80/06/986568006.db2.gz NRMMEFKTYFPSLM-QKKBWIMNSA-N -1 3 420.469 3.830 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]CCc1cc(C)c(O)c(C)c1 ZINC000468867537 986576533 /nfs/dbraw/zinc/57/65/33/986576533.db2.gz IFSLCWUJXVLRDH-UHFFFAOYSA-N -1 3 419.524 3.531 20 0 HHADHM CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)Nc2nc(C3CCC3)cs2)cc1 ZINC000444523892 986712770 /nfs/dbraw/zinc/71/27/70/986712770.db2.gz GMUAFVMCAXDHQP-UHFFFAOYSA-N -1 3 409.533 3.578 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)C[C@@H]3CC[C@H](C)C3)c2)cc1 ZINC000469018796 986726840 /nfs/dbraw/zinc/72/68/40/986726840.db2.gz SEHYUKMRIMKHPB-DLBZAZTESA-N -1 3 416.543 3.939 20 0 HHADHM COC(=O)[C@@H]([N-]S(=O)(=O)Cc1cccc(C(F)(F)F)c1)c1ccc(C)c(C)c1 ZINC000469058068 986769622 /nfs/dbraw/zinc/76/96/22/986769622.db2.gz VRTOZRLCVVMANJ-KRWDZBQOSA-N -1 3 415.433 3.656 20 0 HHADHM CCC(CC)CC(=O)NCc1cccc([N-]S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000469058732 986770196 /nfs/dbraw/zinc/77/01/96/986770196.db2.gz VKZNWNIDIPCQEI-UHFFFAOYSA-N -1 3 404.532 3.939 20 0 HHADHM CCOC(=O)c1nc(C2CCN(C(=O)c3cccc(Nc4ccccc4)c3)CC2)n[n-]1 ZINC000444657286 986837722 /nfs/dbraw/zinc/83/77/22/986837722.db2.gz BYTHYNHTDBKXTQ-UHFFFAOYSA-N -1 3 419.485 3.745 20 0 HHADHM CCOC(=O)c1nnc(C2CCN(C(=O)c3cccc(Nc4ccccc4)c3)CC2)[n-]1 ZINC000444657286 986837733 /nfs/dbraw/zinc/83/77/33/986837733.db2.gz BYTHYNHTDBKXTQ-UHFFFAOYSA-N -1 3 419.485 3.745 20 0 HHADHM CCOC(=O)c1nc(C2CCN(C(=O)c3cn(CC(C)C)c4ccccc34)CC2)n[n-]1 ZINC000444670112 986854123 /nfs/dbraw/zinc/85/41/23/986854123.db2.gz FBQPJLCTPOZBNJ-UHFFFAOYSA-N -1 3 423.517 3.612 20 0 HHADHM CCOC(=O)c1nnc(C2CCN(C(=O)c3cn(CC(C)C)c4ccccc34)CC2)[n-]1 ZINC000444670112 986854134 /nfs/dbraw/zinc/85/41/34/986854134.db2.gz FBQPJLCTPOZBNJ-UHFFFAOYSA-N -1 3 423.517 3.612 20 0 HHADHM CCOC(=O)c1nc(C2CCN(C(=O)c3ccccc3Oc3ccccc3)CC2)n[n-]1 ZINC000444755503 986917245 /nfs/dbraw/zinc/91/72/45/986917245.db2.gz FQVBMHXMVNKDOD-UHFFFAOYSA-N -1 3 420.469 3.794 20 0 HHADHM CCOC(=O)c1nnc(C2CCN(C(=O)c3ccccc3Oc3ccccc3)CC2)[n-]1 ZINC000444755503 986917250 /nfs/dbraw/zinc/91/72/50/986917250.db2.gz FQVBMHXMVNKDOD-UHFFFAOYSA-N -1 3 420.469 3.794 20 0 HHADHM CCOC(=O)c1nc(C2CCN(C(=O)[C@H](CC3CCCCC3)C(C)C)CC2)n[n-]1 ZINC000444763850 986924449 /nfs/dbraw/zinc/92/44/49/986924449.db2.gz VQQLDWWFGFYTKG-GOSISDBHSA-N -1 3 404.555 3.930 20 0 HHADHM CCOC(=O)c1nnc(C2CCN(C(=O)[C@H](CC3CCCCC3)C(C)C)CC2)[n-]1 ZINC000444763850 986924457 /nfs/dbraw/zinc/92/44/57/986924457.db2.gz VQQLDWWFGFYTKG-GOSISDBHSA-N -1 3 404.555 3.930 20 0 HHADHM CCSCc1ccccc1C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000469209454 986932484 /nfs/dbraw/zinc/93/24/84/986932484.db2.gz UPRYBRZSFWWSGG-UHFFFAOYSA-N -1 3 408.545 3.962 20 0 HHADHM Cc1cc(=O)[nH]cc1[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000469265382 986984073 /nfs/dbraw/zinc/98/40/73/986984073.db2.gz RIDPFLSBCBJRMK-UHFFFAOYSA-N -1 3 411.199 3.678 20 0 HHADHM O=C(Nc1ccccc1)[C@H]([N-]S(=O)(=O)c1cnc2ccccc2c1)c1ccccc1 ZINC000444869001 987024443 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420.478 3.709 20 0 HHADHM CC[C@H](C(=O)N1CCC(NC(=O)c2cc([O-])ccc2Cl)CC1)c1ccccc1 ZINC000469628968 987289127 /nfs/dbraw/zinc/28/91/27/987289127.db2.gz ZXHRUZKYYVLVRG-SFHVURJKSA-N -1 3 400.906 3.960 20 0 HHADHM COC(=O)[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccc(OC)c(Cl)c1 ZINC000469636377 987295429 /nfs/dbraw/zinc/29/54/29/987295429.db2.gz YAFVRBRAEPAZLW-IBGZPJMESA-N -1 3 409.841 3.547 20 0 HHADHM COc1ccc(NC(=O)Cc2noc(-c3cc4ccccc4cc3[O-])n2)cc1OC ZINC000445363797 987418953 /nfs/dbraw/zinc/41/89/53/987418953.db2.gz GQNHTKOHXAJJJY-UHFFFAOYSA-N -1 3 405.410 3.794 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000469797137 987440357 /nfs/dbraw/zinc/44/03/57/987440357.db2.gz BVEVWBOYNFZRLM-KRWDZBQOSA-N -1 3 408.832 3.568 20 0 HHADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2nc3ccccc3c(=O)n2CCCOC(C)C)n1 ZINC000469810379 987450401 /nfs/dbraw/zinc/45/04/01/987450401.db2.gz WRTCZOVLGNZESO-OAHLLOKOSA-N -1 3 414.531 3.869 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cc(O)c3ccccc3c2)cc1OC 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ASBLYSVJZWUQDH-VBKZILBWSA-N -1 3 406.461 3.844 20 0 HHADHM O=S(=O)([N-]Cc1nnc(-c2ccccc2)s1)c1ccc(Br)s1 ZINC000470602593 988621660 /nfs/dbraw/zinc/62/16/60/988621660.db2.gz POAICCRHGYAYRT-UHFFFAOYSA-N -1 3 416.347 3.508 20 0 HHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H]1CCCn2nc(C(C)C)nc21 ZINC000470615309 988632597 /nfs/dbraw/zinc/63/25/97/988632597.db2.gz ZUKXHWDIMNEUCO-AWEZNQCLSA-N -1 3 408.911 3.923 20 0 HHADHM CC(C)(C)Oc1ccc(CNC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c(C(F)(F)F)c1 ZINC000464540086 988717454 /nfs/dbraw/zinc/71/74/54/988717454.db2.gz YQMWPTFJQKSCJJ-UHFFFAOYSA-N -1 3 420.387 3.696 20 0 HHADHM Cc1nc(C)c(CCC(=O)Nc2cnn(-c3ccc(F)cc3)c2C(F)(F)F)c(=O)[n-]1 ZINC000464727567 988946231 /nfs/dbraw/zinc/94/62/31/988946231.db2.gz LQWGDRUNHMNELV-UHFFFAOYSA-N -1 3 423.370 3.714 20 0 HHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CC[C@H](C(F)(F)F)[C@@H]3C)nc(=O)c2c1C ZINC000470932803 989001801 /nfs/dbraw/zinc/00/18/01/989001801.db2.gz QRSSNEZBRMGMAJ-DCAQKATOSA-N -1 3 417.453 3.803 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)Cc3c[nH]c4ncccc34)cc2)cc1 ZINC000464857211 989110002 /nfs/dbraw/zinc/11/00/02/989110002.db2.gz OGVFTAQDIINTBT-UHFFFAOYSA-N -1 3 420.494 3.853 20 0 HHADHM O=C(NCc1ncccc1[O-])Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC000471126528 989234214 /nfs/dbraw/zinc/23/42/14/989234214.db2.gz AGBBVMXEVPLYFS-UHFFFAOYSA-N -1 3 419.304 3.919 20 0 HHADHM CCOc1ccc(NC(=O)c2ccc(NC(=O)NCc3ncccc3[O-])cc2)cc1 ZINC000471136361 989247063 /nfs/dbraw/zinc/24/70/63/989247063.db2.gz JQMWORJPIRVXBQ-UHFFFAOYSA-N -1 3 406.442 3.760 20 0 HHADHM CC[C@H]1CC[C@H](C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3F)c2)O1 ZINC000465057948 989382878 /nfs/dbraw/zinc/38/28/78/989382878.db2.gz QHHNNLQNVIULQX-MAUKXSAKSA-N -1 3 406.479 3.831 20 0 HHADHM CCC(=O)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)cc1 ZINC000471310002 989471147 /nfs/dbraw/zinc/47/11/47/989471147.db2.gz CAKTXAFTVDOKTO-UHFFFAOYSA-N -1 3 414.405 3.922 20 0 HHADHM CCCS(=O)(=O)Cc1nc(=O)c2c3c(sc2[n-]1)C[C@@H](c1ccccc1)CC3 ZINC000471468026 989661571 /nfs/dbraw/zinc/66/15/71/989661571.db2.gz REENOLNARMURGA-AWEZNQCLSA-N -1 3 402.541 3.994 20 0 HHADHM CCOC(=O)c1sc([C@@H](C)[N-]S(=O)(=O)c2ccc(C)cc2Cl)nc1C ZINC000465503471 989853055 /nfs/dbraw/zinc/85/30/55/989853055.db2.gz CRRIWNTUMUEVBS-LLVKDONJSA-N -1 3 402.925 3.630 20 0 HHADHM C[C@@H]1CSc2ccc(Br)cc2[C@@H]1NC(=O)NCc1ncccc1[O-] ZINC000471819910 990000598 /nfs/dbraw/zinc/00/05/98/990000598.db2.gz KAMFJEYQGLGWNG-QLJPJBMISA-N -1 3 408.321 3.832 20 0 HHADHM O=C(NCc1ccccc1-c1ccc(Cn2cccn2)cc1)NCc1ncccc1[O-] ZINC000471823268 990003146 /nfs/dbraw/zinc/00/31/46/990003146.db2.gz XKCBBDZHNWEZEH-UHFFFAOYSA-N -1 3 413.481 3.698 20 0 HHADHM O=C(NCC1(c2ccc3c(c2)OCO3)CCOCC1)c1cc([O-])c2ccccc2c1 ZINC000471885872 990059620 /nfs/dbraw/zinc/05/96/20/990059620.db2.gz QVXNFPCUYNMWES-UHFFFAOYSA-N -1 3 405.450 3.752 20 0 HHADHM Cc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccc4ncccc4c3)n2)cc1F ZINC000471896886 990067864 /nfs/dbraw/zinc/06/78/64/990067864.db2.gz FXDSLJARTOKZMX-ZDUSSCGKSA-N -1 3 412.446 3.772 20 0 HHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC000471948234 990112102 /nfs/dbraw/zinc/11/21/02/990112102.db2.gz WWEJGPXDGRFKHV-UHFFFAOYSA-N -1 3 412.848 3.936 20 0 HHADHM O=C(NCCc1ccccc1OC(F)F)NCc1ccc([O-])c(Br)c1 ZINC000472072617 990233360 /nfs/dbraw/zinc/23/33/60/990233360.db2.gz FTJPOSIPPKIDNZ-UHFFFAOYSA-N -1 3 415.234 3.798 20 0 HHADHM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3ccc(OCC(F)F)cc3)cc2F)c1 ZINC000466259826 991505371 /nfs/dbraw/zinc/50/53/71/991505371.db2.gz AKUVCBFOSRFTOU-UHFFFAOYSA-N -1 3 411.405 3.765 20 0 HHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(Br)c(F)cc2F)ccc1C ZINC000466470861 991761698 /nfs/dbraw/zinc/76/16/98/991761698.db2.gz BVZGEYPSVYYQJO-UHFFFAOYSA-N -1 3 420.231 3.623 20 0 HHADHM COC(=O)[C@H]([N-]S(=O)(=O)Cc1ccc(Cl)c(Cl)c1)c1ccc(F)c(C)c1 ZINC000466517458 991806975 /nfs/dbraw/zinc/80/69/75/991806975.db2.gz IZYUIJCADDZIHI-MRXNPFEDSA-N -1 3 420.289 3.775 20 0 HHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H]2CCCc3sccc32)cc1Cl ZINC000466546465 991855174 /nfs/dbraw/zinc/85/51/74/991855174.db2.gz TZPPZENDQQLLBA-ZDUSSCGKSA-N -1 3 402.900 3.855 20 0 HHADHM C[C@]1(C[N-]S(=O)(=O)c2cc(Br)ccc2Cl)CCO[C@H]1C1CC1 ZINC000466557424 991870672 /nfs/dbraw/zinc/87/06/72/991870672.db2.gz VWHYIJAPYCOQRI-LSDHHAIUSA-N -1 3 408.745 3.586 20 0 HHADHM CC[C@@H]([N-]S(=O)(=O)c1cnn(-c2ccccc2)c1)c1nc(C(F)(F)F)cs1 ZINC000466878093 992199634 /nfs/dbraw/zinc/19/96/34/992199634.db2.gz QCYZVPOSKBJBNU-CYBMUJFWSA-N -1 3 416.450 3.777 20 0 HHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N(C)Cc3cc(Cl)cn3C)nc(=O)c2c1C ZINC000466960328 992270935 /nfs/dbraw/zinc/27/09/35/992270935.db2.gz UZQPMWLPMCUWIX-LLVKDONJSA-N -1 3 422.938 3.655 20 0 HHADHM CN(C)Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1Br ZINC000466964586 992276055 /nfs/dbraw/zinc/27/60/55/992276055.db2.gz LEGKXUPRZPTTDG-UHFFFAOYSA-N -1 3 403.729 3.965 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@H]3CCCc4n[nH]cc43)cc2)cc1 ZINC000467289244 992612814 /nfs/dbraw/zinc/61/28/14/992612814.db2.gz SBPHXURERGXWRB-SFHVURJKSA-N -1 3 410.499 3.578 20 0 HHADHM CC(=O)N1CCCc2ccc(S(=O)(=O)[N-]c3ccc4nc(C5CCC5)[nH]c4c3)cc21 ZINC000467429435 992728486 /nfs/dbraw/zinc/72/84/86/992728486.db2.gz XWFCJYBHRFPQBE-UHFFFAOYSA-N -1 3 424.526 3.930 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NCC1(Cc2ccccc2)CCC1 ZINC000467626334 992889912 /nfs/dbraw/zinc/88/99/12/992889912.db2.gz XMWDEALCMIKLIZ-UHFFFAOYSA-N -1 3 416.525 3.602 20 0 HHADHM CC[C@H]1CN(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)ccc2C)CCCO1 ZINC000467807808 993041804 /nfs/dbraw/zinc/04/18/04/993041804.db2.gz PCDAXDQRWWSVRS-INIZCTEOSA-N -1 3 420.506 3.576 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CC[C@@H](c2ccccc2)C[C@H]1C ZINC000467862292 993093054 /nfs/dbraw/zinc/09/30/54/993093054.db2.gz KGGUYXJLDPXNEF-DYESRHJHSA-N -1 3 416.525 3.868 20 0 HHADHM O=S(=O)([N-]Cc1ncoc1-c1ccccc1)c1ccc(F)cc1C(F)(F)F ZINC000472310929 993322875 /nfs/dbraw/zinc/32/28/75/993322875.db2.gz MJMHAFXGVWWLDH-UHFFFAOYSA-N -1 3 400.353 3.978 20 0 HHADHM O=C(NC[C@H](O)COc1cccc(C(F)(F)F)c1)c1cc([O-])c2ccccc2c1 ZINC000472318851 993329705 /nfs/dbraw/zinc/32/97/05/993329705.db2.gz IGAYRIUGCBKGAT-INIZCTEOSA-N -1 3 405.372 3.734 20 0 HHADHM Cc1nc2cc(C(=O)Nc3cccc(-c4nnn[n-]4)c3)ccc2n1Cc1ccsc1 ZINC000472659143 993589546 /nfs/dbraw/zinc/58/95/46/993589546.db2.gz JUBCBIPMJDEUBO-UHFFFAOYSA-N -1 3 415.482 3.887 20 0 HHADHM Cc1nc2cc(C(=O)Nc3cccc(-c4nn[n-]n4)c3)ccc2n1Cc1ccsc1 ZINC000472659143 993589557 /nfs/dbraw/zinc/58/95/57/993589557.db2.gz JUBCBIPMJDEUBO-UHFFFAOYSA-N -1 3 415.482 3.887 20 0 HHADHM Cc1ccc(CS(=O)(=O)[N-][C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)c(F)c1 ZINC000480794878 993663821 /nfs/dbraw/zinc/66/38/21/993663821.db2.gz INCNPOFRKYKXBS-ZDUSSCGKSA-N -1 3 407.442 3.812 20 0 HHADHM CCOC(=O)Cc1nnc([N-]C(=O)c2sc(-c3ccc(F)c(F)c3)nc2C)s1 ZINC000480817014 993691521 /nfs/dbraw/zinc/69/15/21/993691521.db2.gz NSLXFNFJNFNUBB-UHFFFAOYSA-N -1 3 424.454 3.606 20 0 HHADHM CC[C@H](C)n1nc(NC(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)cc1C ZINC000480826609 993702904 /nfs/dbraw/zinc/70/29/04/993702904.db2.gz LIFQBRGCGZXEGK-LBPRGKRZSA-N -1 3 409.512 3.577 20 0 HHADHM O=S(=O)([N-][C@H]1CCCc2c(O)cccc21)c1cc(F)ccc1Br ZINC000480845442 993719518 /nfs/dbraw/zinc/71/95/18/993719518.db2.gz QLNJMELUXOGQQW-AWEZNQCLSA-N -1 3 400.269 3.650 20 0 HHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCc3cnn(C(C)C)c3C2)c1Cl ZINC000480852558 993724936 /nfs/dbraw/zinc/72/49/36/993724936.db2.gz INHJCVAWXUWKQY-CYBMUJFWSA-N -1 3 402.347 3.915 20 0 HHADHM CCOCCC1(C[N-]S(=O)(=O)c2cc(Br)ccc2Cl)CCC1 ZINC000480854082 993726459 /nfs/dbraw/zinc/72/64/59/993726459.db2.gz RQSVHOKJVHYBKN-UHFFFAOYSA-N -1 3 410.761 3.978 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H]1CCCc2c(O)cccc21 ZINC000480861663 993733913 /nfs/dbraw/zinc/73/39/13/993733913.db2.gz GJRQYQACLXCBNX-OAHLLOKOSA-N -1 3 417.508 3.749 20 0 HHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H]2CCCc3ccc(F)cc32)cc1Cl ZINC000480979400 993820073 /nfs/dbraw/zinc/82/00/73/993820073.db2.gz MCIBPTGFGYQVBA-INIZCTEOSA-N -1 3 414.861 3.933 20 0 HHADHM CC(C)[C@H]([N-]S(=O)(=O)Cc1ccc(Br)cc1)c1nc(C2CC2)no1 ZINC000480992740 993834974 /nfs/dbraw/zinc/83/49/74/993834974.db2.gz WMDKWLUEQHVTBK-AWEZNQCLSA-N -1 3 414.325 3.526 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1ccnc(Oc2ccccc2Cl)c1 ZINC000481211798 994044746 /nfs/dbraw/zinc/04/47/46/994044746.db2.gz YJZZICKHHWHOEE-UHFFFAOYSA-N -1 3 412.759 3.986 20 0 HHADHM Cc1cc(S(=O)(=O)[N-][C@H](CO)c2ccccc2OC(F)(F)F)sc1Cl ZINC000481260509 994081465 /nfs/dbraw/zinc/08/14/65/994081465.db2.gz RIIULIQWLJAMBC-SNVBAGLBSA-N -1 3 415.842 3.620 20 0 HHADHM CN(Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1)C[C@H]1CCCC[C@@H]1O ZINC000481538288 994370045 /nfs/dbraw/zinc/37/00/45/994370045.db2.gz DZLLHJHAWFWRJR-PBHICJAKSA-N -1 3 401.507 3.774 20 0 HHADHM CCOc1cc(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)cc(Cl)c1[O-] ZINC000473527664 994383943 /nfs/dbraw/zinc/38/39/43/994383943.db2.gz NMVIXBFUHCTIII-UHFFFAOYSA-N -1 3 420.859 3.979 20 0 HHADHM COC(=O)c1nc([C@@H]2CCCN2C(=O)CCCc2ccc([O-])c(F)c2)sc1C ZINC000473550928 994413957 /nfs/dbraw/zinc/41/39/57/994413957.db2.gz PJEDJYNEXJJLQN-HNNXBMFYSA-N -1 3 406.479 3.769 20 0 HHADHM CC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)ccc1[O-] ZINC000481605703 994456960 /nfs/dbraw/zinc/45/69/60/994456960.db2.gz IAEOHPRVTSBZQA-UHFFFAOYSA-N -1 3 422.466 3.695 20 0 HHADHM O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)c1cc(=O)c2ccccc2[n-]1 ZINC000473624716 994505910 /nfs/dbraw/zinc/50/59/10/994505910.db2.gz YZSGEUBJCZWRRA-BLLLJJGKSA-N -1 3 401.235 3.716 20 0 HHADHM O=C(NCc1ncccc1[O-])c1ccc(COc2ccc(Br)cc2)o1 ZINC000473635626 994517073 /nfs/dbraw/zinc/51/70/73/994517073.db2.gz BYHYZUUUZAWJIC-UHFFFAOYSA-N -1 3 403.232 3.652 20 0 HHADHM CO[C@@H]1CCCC[C@@H]1NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000473739720 994640515 /nfs/dbraw/zinc/64/05/15/994640515.db2.gz DQILDYMXSHHAIL-UONOGXRCSA-N -1 3 413.699 3.631 20 0 HHADHM COC[C@@H](Cc1ccccc1)N(C)C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000473769341 994687845 /nfs/dbraw/zinc/68/78/45/994687845.db2.gz MDMOJLOBNFIKCO-HXUWFJFHSA-N -1 3 406.486 3.879 20 0 HHADHM CN(C)Cc1ccc([N-]S(=O)(=O)c2ccccc2Br)cc1Cl ZINC000481882080 994746690 /nfs/dbraw/zinc/74/66/90/994746690.db2.gz BHPJADRVEURPLF-UHFFFAOYSA-N -1 3 403.729 3.965 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1cccc(OCc2cccc(Cl)c2)c1 ZINC000481891450 994760160 /nfs/dbraw/zinc/76/01/60/994760160.db2.gz IZBYYYFKVISVTA-UHFFFAOYSA-N -1 3 410.783 3.986 20 0 HHADHM Cc1ccc(Sc2ncccc2C(=O)NCc2nc(C(F)(F)F)n[n-]2)c(C)c1 ZINC000481927014 994799226 /nfs/dbraw/zinc/79/92/26/994799226.db2.gz WTEZFQKNRIIVPQ-UHFFFAOYSA-N -1 3 407.421 3.917 20 0 HHADHM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(Oc4ccccc4C(N)=O)cc3)ccc2O1 ZINC000481960160 994845870 /nfs/dbraw/zinc/84/58/70/994845870.db2.gz CLPFRMSZLPBVBP-CQSZACIVSA-N -1 3 424.478 3.702 20 0 HHADHM Cn1c(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)cc2cc(C(F)(F)F)ccc21 ZINC000473894989 994850654 /nfs/dbraw/zinc/85/06/54/994850654.db2.gz NPEZRJMXHDKMMD-UHFFFAOYSA-N -1 3 400.364 3.553 20 0 HHADHM Cn1c(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)cc2cc(C(F)(F)F)ccc21 ZINC000473894989 994850666 /nfs/dbraw/zinc/85/06/66/994850666.db2.gz NPEZRJMXHDKMMD-UHFFFAOYSA-N -1 3 400.364 3.553 20 0 HHADHM CCN(CC)c1nc2sc(C(=O)Nc3ccc(Cc4nnn[n-]4)cc3)cc2s1 ZINC000473896969 994853364 /nfs/dbraw/zinc/85/33/64/994853364.db2.gz USZKEHJCMOKAOR-UHFFFAOYSA-N -1 3 413.532 3.560 20 0 HHADHM CCN(CC)c1nc2sc(C(=O)Nc3ccc(Cc4nn[n-]n4)cc3)cc2s1 ZINC000473896969 994853372 /nfs/dbraw/zinc/85/33/72/994853372.db2.gz USZKEHJCMOKAOR-UHFFFAOYSA-N -1 3 413.532 3.560 20 0 HHADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)sc1Cl ZINC000473938551 994913079 /nfs/dbraw/zinc/91/30/79/994913079.db2.gz SNZSZCMHODVWAG-UKRRQHHQSA-N -1 3 406.907 3.712 20 0 HHADHM Cc1nc(C)c(CC(=O)N[C@@H](c2cc(F)cc(Br)c2)C2CC2)c(=O)[n-]1 ZINC000482037641 994957163 /nfs/dbraw/zinc/95/71/63/994957163.db2.gz DSLRUIXMRMKDGN-QGZVFWFLSA-N -1 3 408.271 3.511 20 0 HHADHM Cc1nn(Cc2ccccc2)c2sc(C(=O)NCc3nc(C(F)(F)F)n[n-]3)cc12 ZINC000482213390 995197392 /nfs/dbraw/zinc/19/73/92/995197392.db2.gz RTHJYXCDURNQDF-UHFFFAOYSA-N -1 3 420.420 3.521 20 0 HHADHM Cc1noc(C)c1CSc1ccccc1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000482214926 995200374 /nfs/dbraw/zinc/20/03/74/995200374.db2.gz AXEDJVUYMLZIJH-UHFFFAOYSA-N -1 3 411.409 3.651 20 0 HHADHM CCOc1ccccc1Oc1ccccc1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000482216599 995201935 /nfs/dbraw/zinc/20/19/35/995201935.db2.gz DXALDGCAVOQARU-UHFFFAOYSA-N -1 3 406.364 3.945 20 0 HHADHM Cc1ccc(Oc2ccc(OCC(=O)NCc3nc(C(F)(F)F)n[n-]3)cc2)cc1 ZINC000482220289 995205047 /nfs/dbraw/zinc/20/50/47/995205047.db2.gz XCVXLNMTOUWICB-UHFFFAOYSA-N -1 3 406.364 3.619 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1cccc(OCc2ccc(Cl)cc2)c1 ZINC000482238463 995221015 /nfs/dbraw/zinc/22/10/15/995221015.db2.gz YJSABBUSNOFOHA-UHFFFAOYSA-N -1 3 410.783 3.986 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000482242416 995224251 /nfs/dbraw/zinc/22/42/51/995224251.db2.gz MXWFZEQTRBDUSZ-SJORKVTESA-N -1 3 416.403 3.822 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000482353759 995333589 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416.543 3.649 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1ccc(Cn2cccn2)cc1 ZINC000482920664 995850121 /nfs/dbraw/zinc/85/01/21/995850121.db2.gz YEKVZYBZTTXENZ-UHFFFAOYSA-N -1 3 401.264 3.721 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)NCc1ccccc1Sc1ccccc1 ZINC000483022142 995924752 /nfs/dbraw/zinc/92/47/52/995924752.db2.gz CRXOQCXPHNUOFS-UHFFFAOYSA-N -1 3 407.421 3.974 20 0 HHADHM Cc1cccc(Oc2cc(CNC(=O)NCc3nc(C(F)(F)F)n[n-]3)ccn2)c1C ZINC000483115605 995985050 /nfs/dbraw/zinc/98/50/50/995985050.db2.gz MMQHTGRYXULGJC-UHFFFAOYSA-N -1 3 420.395 3.627 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)NC[C@@H](Cc1ccccc1)c1ccccc1 ZINC000483162504 996011248 /nfs/dbraw/zinc/01/12/48/996011248.db2.gz XVDUXKZPPRIUKA-MRXNPFEDSA-N -1 3 403.408 3.649 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1ccc2c(c1)CCCC(=O)N2 ZINC000483333900 996104727 /nfs/dbraw/zinc/10/47/27/996104727.db2.gz DUPQPROEKYZDOU-UHFFFAOYSA-N -1 3 404.264 3.751 20 0 HHADHM CCS[C@@H]1CCC[C@@H](NC(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)C1 ZINC000483439237 996179619 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3.932 20 0 HHADHM Cc1nn(Cc2ccccc2)c(C)c1C[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC000475749882 996347450 /nfs/dbraw/zinc/34/74/50/996347450.db2.gz SJAGLLLRTBLBKD-UHFFFAOYSA-N -1 3 405.470 3.613 20 0 HHADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)c2ccc3cc[nH]c3c2)cc1 ZINC000475836927 996405279 /nfs/dbraw/zinc/40/52/79/996405279.db2.gz UEIJPCHTAAVPPH-UHFFFAOYSA-N -1 3 421.544 3.535 20 0 HHADHM O=c1[n-]nc(SCc2ccc(Cl)cc2-n2cncn2)n1CCc1ccccc1 ZINC000475938220 996485598 /nfs/dbraw/zinc/48/55/98/996485598.db2.gz GNRYDMSOYDWYMC-UHFFFAOYSA-N -1 3 412.906 3.753 20 0 HHADHM CC(C)n1nccc1[C@H]1OCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000484050337 996541793 /nfs/dbraw/zinc/54/17/93/996541793.db2.gz VWMLSOJPAHPXCF-BBRMVZONSA-N -1 3 404.319 3.579 20 0 HHADHM CC(C)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000484102115 996571541 /nfs/dbraw/zinc/57/15/41/996571541.db2.gz HOGNOVMXYGYMOJ-KRWDZBQOSA-N -1 3 409.490 3.755 20 0 HHADHM O=C(CNC(=O)c1cccc(Br)c1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000476170554 996652369 /nfs/dbraw/zinc/65/23/69/996652369.db2.gz QRVNSKSBJOTPNX-UHFFFAOYSA-N -1 3 417.181 3.542 20 0 HHADHM C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000476178694 996658904 /nfs/dbraw/zinc/65/89/04/996658904.db2.gz WUYPHEJCYYUWBI-JTQLQIEISA-N -1 3 405.369 3.599 20 0 HHADHM C/C=C\c1ccc(OC=C([O-])Nc2nc(-c3cccc(OC)c3)ns2)c(OC)c1 ZINC000476328115 996758343 /nfs/dbraw/zinc/75/83/43/996758343.db2.gz XKKVXIHTGBOCJP-XQRVVYSFSA-N -1 3 411.483 3.695 20 0 HHADHM CCCOc1ccc(NC(=O)C(=O)NCc2ccc([O-])c(Br)c2)c(C)c1 ZINC000484527514 996859676 /nfs/dbraw/zinc/85/96/76/996859676.db2.gz NKNVQZFDIZUBJH-UHFFFAOYSA-N -1 3 421.291 3.507 20 0 HHADHM O=S(=O)([N-]c1ccc(OCc2ccccn2)c(F)c1)c1ccc2c(c1)CCO2 ZINC000476418378 996881884 /nfs/dbraw/zinc/88/18/84/996881884.db2.gz MKZDXDQKQNHKGW-UHFFFAOYSA-N -1 3 400.431 3.535 20 0 HHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O ZINC000476418563 996883186 /nfs/dbraw/zinc/88/31/86/996883186.db2.gz ZEHIWKZICZBNFP-UHFFFAOYSA-N -1 3 415.734 3.518 20 0 HHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O ZINC000476418563 996883197 /nfs/dbraw/zinc/88/31/97/996883197.db2.gz ZEHIWKZICZBNFP-UHFFFAOYSA-N -1 3 415.734 3.518 20 0 HHADHM COC(=O)c1cnc(SCC(=O)c2cc(C)n(CCc3cccs3)c2C)[n-]1 ZINC000484553136 996884617 /nfs/dbraw/zinc/88/46/17/996884617.db2.gz DQJPLQQFKOUZDU-UHFFFAOYSA-N -1 3 403.529 3.894 20 0 HHADHM COC(=O)c1cnc(SCC(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)[n-]1 ZINC000484558242 996891325 /nfs/dbraw/zinc/89/13/25/996891325.db2.gz PWMUFCBZPBKYIL-UHFFFAOYSA-N -1 3 402.501 3.667 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)NCc3ccc(C4CC4)cc3)c2)n1 ZINC000484657708 996995865 /nfs/dbraw/zinc/99/58/65/996995865.db2.gz UJTBCUUCASCTFJ-UHFFFAOYSA-N -1 3 416.481 3.544 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(F)cn3)ccc2C)cc1 ZINC000484677586 997016110 /nfs/dbraw/zinc/01/61/10/997016110.db2.gz DUNZDRDZUVIGCR-UHFFFAOYSA-N -1 3 415.446 3.591 20 0 HHADHM O=C([N-]c1nnc(-c2ccc(Cl)cc2)s1)c1cn(Cc2cccs2)nn1 ZINC000484774718 997121717 /nfs/dbraw/zinc/12/17/17/997121717.db2.gz HBRFNULHQRFODO-UHFFFAOYSA-N -1 3 402.892 3.812 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N[C@@H](C)[C@H](C)c3ccccc3)c2)n1 ZINC000476615072 997130166 /nfs/dbraw/zinc/13/01/66/997130166.db2.gz YJXHRKACCQVEFO-HOTGVXAUSA-N -1 3 418.497 3.659 20 0 HHADHM CCOC(=O)[C@H]([N-]S(=O)(=O)c1cccc(C(C)C)c1)c1ccc(OC)c(F)c1 ZINC000476627925 997148908 /nfs/dbraw/zinc/14/89/08/997148908.db2.gz LSHKFXISIIVJQI-LJQANCHMSA-N -1 3 409.479 3.540 20 0 HHADHM COc1ccccc1-c1nn(C)cc1C(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1 ZINC000485087868 997460183 /nfs/dbraw/zinc/46/01/83/997460183.db2.gz BWNQRGAFNHTZNR-UHFFFAOYSA-N -1 3 414.425 3.879 20 0 HHADHM COc1ccccc1-c1nn(C)cc1C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485087868 997460193 /nfs/dbraw/zinc/46/01/93/997460193.db2.gz BWNQRGAFNHTZNR-UHFFFAOYSA-N -1 3 414.425 3.879 20 0 HHADHM O=C(CCc1nc(-c2ccsc2)no1)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485088746 997462427 /nfs/dbraw/zinc/46/24/27/997462427.db2.gz AHSWUFOHJDGPSV-UHFFFAOYSA-N -1 3 406.427 3.901 20 0 HHADHM CC(C)(C)c1nnc2ccc(C(=O)Nc3nnc(-c4cc5ccccc5o4)[n-]3)cn21 ZINC000485116737 997500800 /nfs/dbraw/zinc/50/08/00/997500800.db2.gz FUZLOROGMYLUGE-UHFFFAOYSA-N -1 3 401.430 3.810 20 0 HHADHM CC(C)(C)c1nnc2ccc(C(=O)Nc3n[n-]c(-c4cc5ccccc5o4)n3)cn21 ZINC000485116737 997500812 /nfs/dbraw/zinc/50/08/12/997500812.db2.gz FUZLOROGMYLUGE-UHFFFAOYSA-N -1 3 401.430 3.810 20 0 HHADHM O=C(COc1cccc(NC(=O)C2CC2)c1)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485133715 997518800 /nfs/dbraw/zinc/51/88/00/997518800.db2.gz RZOUSCRSUYHZDL-UHFFFAOYSA-N -1 3 417.425 3.584 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)NC[C@@H]3CCC[C@H](C)[C@@H]3C)c2)n1 ZINC000485208440 997582522 /nfs/dbraw/zinc/58/25/22/997582522.db2.gz NNHKNSOBLDGOHU-ZOBUZTSGSA-N -1 3 410.518 3.539 20 0 HHADHM CC(=O)Nc1ccc([O-])c(C(=O)NC[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000477003230 997635087 /nfs/dbraw/zinc/63/50/87/997635087.db2.gz JYHOGWXPECCNOM-VLIAUNLRSA-N -1 3 419.884 3.566 20 0 HHADHM CC(=O)Nc1ccc([O-])c(C(=O)NC[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000477003229 997635129 /nfs/dbraw/zinc/63/51/29/997635129.db2.gz JYHOGWXPECCNOM-VBKZILBWSA-N -1 3 419.884 3.566 20 0 HHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N(C)Cc3ncc(CC)s3)nc(=O)c2c1C ZINC000477012393 997645733 /nfs/dbraw/zinc/64/57/33/997645733.db2.gz PCTAFEQDDHSNCJ-LLVKDONJSA-N -1 3 420.560 3.682 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)[C@H](C)c3ccccc3)c2)cc1 ZINC000477018366 997651685 /nfs/dbraw/zinc/65/16/85/997651685.db2.gz JGKJADAZRKIYEG-QGZVFWFLSA-N -1 3 424.522 3.916 20 0 HHADHM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccc(Cl)c(-n2nnnc2C2CC2)c1 ZINC000485397818 997827434 /nfs/dbraw/zinc/82/74/34/997827434.db2.gz YQAJZTDSBMXINU-UHFFFAOYSA-N -1 3 421.885 3.750 20 0 HHADHM COC(=O)C[C@@](C)([N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C)c1ccccn1 ZINC000485431193 997868873 /nfs/dbraw/zinc/86/88/73/997868873.db2.gz AGONYWDXIGVBAI-LJQANCHMSA-N -1 3 422.890 3.546 20 0 HHADHM COCCc1nc2cc([N-]S(=O)(=O)Cc3ccccc3C(F)(F)F)ccc2o1 ZINC000485436946 997877201 /nfs/dbraw/zinc/87/72/01/997877201.db2.gz LWQQBMVVIBUNHM-UHFFFAOYSA-N -1 3 414.405 3.977 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@H](C)c1c(F)cccc1Cl ZINC000477239162 997913867 /nfs/dbraw/zinc/91/38/67/997913867.db2.gz KSYZIZGJJRKWRS-CYBMUJFWSA-N -1 3 414.868 3.743 20 0 HHADHM O=C(NCCc1c[nH]c2ccc(F)cc12)NCc1ccc([O-])c(Br)c1 ZINC000485485630 997938334 /nfs/dbraw/zinc/93/83/34/997938334.db2.gz DGBWOYKOTLVILP-UHFFFAOYSA-N -1 3 406.255 3.817 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@H](c1ccccc1)[C@@H]1CCCO1 ZINC000485493492 997947751 /nfs/dbraw/zinc/94/77/51/997947751.db2.gz PNWKMRQEPIQYJQ-ZWKOTPCHSA-N -1 3 405.292 3.874 20 0 HHADHM CCc1cc(=O)[n-]c(CSCc2nnc(-c3ccccc3Br)o2)n1 ZINC000477351606 998040001 /nfs/dbraw/zinc/04/00/01/998040001.db2.gz PJDYBCRXTUIRMU-UHFFFAOYSA-N -1 3 407.293 3.991 20 0 HHADHM CCCCc1nc(NC(=O)c2ccc(-c3cncnc3)cc2F)c(C(=O)OCC)[n-]1 ZINC000485670623 998126397 /nfs/dbraw/zinc/12/63/97/998126397.db2.gz WQGWQULJIKKOFZ-UHFFFAOYSA-N -1 3 411.437 3.777 20 0 HHADHM CCCCc1nc(NC(=O)Cc2csc(-c3ccoc3)n2)c(C(=O)OCC)[n-]1 ZINC000485677054 998134867 /nfs/dbraw/zinc/13/48/67/998134867.db2.gz YGHKQWGAMBQLRB-UHFFFAOYSA-N -1 3 402.476 3.827 20 0 HHADHM CCCCc1nc(NC(=O)c2ccc(NC(=O)[C@H]3C[C@@H]3C)cc2)c(C(=O)OCC)[n-]1 ZINC000485699925 998163755 /nfs/dbraw/zinc/16/37/55/998163755.db2.gz IZLVUESYWOTXFG-BBRMVZONSA-N -1 3 412.490 3.776 20 0 HHADHM CCCCc1nc(NC(=O)c2cc(=O)[nH]c3ccc(F)cc32)c(C(=O)OCC)[n-]1 ZINC000485702533 998165789 /nfs/dbraw/zinc/16/57/89/998165789.db2.gz COYGLNIKSBQTAQ-UHFFFAOYSA-N -1 3 400.410 3.574 20 0 HHADHM CCN(CC)S(=O)(=O)c1ccc(Cl)c([N-]C(=O)c2nc3cccnc3s2)c1 ZINC000485719153 998188152 /nfs/dbraw/zinc/18/81/52/998188152.db2.gz NDHZMNSSJJYVDD-UHFFFAOYSA-N -1 3 424.935 3.628 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C[C@H]3Sc4ccccc4NC3=O)c2)n1 ZINC000485786851 998258554 /nfs/dbraw/zinc/25/85/54/998258554.db2.gz ODBOTPOUMBYUMT-GOSISDBHSA-N -1 3 420.494 3.853 20 0 HHADHM COc1cc(C(=O)NCc2cccc(NC(=O)C3CCCCC3)c2)cc(OC)c1[O-] ZINC000485964583 998405724 /nfs/dbraw/zinc/40/57/24/998405724.db2.gz FFZFCDWGWWRQBY-UHFFFAOYSA-N -1 3 412.486 3.858 20 0 HHADHM O=c1cc(C=Cc2cn(-c3ccc(Cl)cc3Cl)nn2)nc(-c2ccncc2)[n-]1 ZINC000485982796 998424778 /nfs/dbraw/zinc/42/47/78/998424778.db2.gz VHDBIWJDASPJKH-NSCUHMNNSA-N -1 3 411.252 3.890 20 0 HHADHM COc1cc(C(=O)NCC(C)(C)c2cccc(Br)c2)cc(OC)c1[O-] ZINC000486019794 998466115 /nfs/dbraw/zinc/46/61/15/998466115.db2.gz WAPHFBYCUPEHCS-UHFFFAOYSA-N -1 3 408.292 3.880 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cc(Br)c(C)cc2C)cc1OC ZINC000486125988 998574258 /nfs/dbraw/zinc/57/42/58/998574258.db2.gz IVRVDIDSSYOMFJ-UHFFFAOYSA-N -1 3 400.294 3.884 20 0 HHADHM Cc1nc(C)c(CCC(=O)NCc2nc(-c3cc4ccccc4o3)cs2)c(=O)[n-]1 ZINC000477899790 998642112 /nfs/dbraw/zinc/64/21/12/998642112.db2.gz GEIKMTDXXURDJK-UHFFFAOYSA-N -1 3 408.483 3.918 20 0 HHADHM C[C@H](O)C[C@@H](CNC(=O)NCc1ccc([O-])c(Br)c1)c1ccccc1 ZINC000486235756 998666950 /nfs/dbraw/zinc/66/69/50/998666950.db2.gz WSOCEVXPGRAUJR-BBRMVZONSA-N -1 3 407.308 3.509 20 0 HHADHM CN(CCCOc1ccc(F)cc1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000486421297 998759183 /nfs/dbraw/zinc/75/91/83/998759183.db2.gz CFBIRQHZURUORF-UHFFFAOYSA-N -1 3 411.271 3.904 20 0 HHADHM O=c1[n-]c(CN2CCC[C@H](c3nnc4n3CCCCC4)C2)nc2c3ccccc3oc21 ZINC000486422664 998759819 /nfs/dbraw/zinc/75/98/19/998759819.db2.gz XSIRPQDDXSPQSV-HNNXBMFYSA-N -1 3 418.501 3.779 20 0 HHADHM CN(C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)[C@@H]1CCC(C)(C)C1 ZINC000478205540 998821921 /nfs/dbraw/zinc/82/19/21/998821921.db2.gz BXYCHPGKOXCVQA-GFCCVEGCSA-N -1 3 407.363 3.699 20 0 HHADHM CN(C(=O)c1c[n-]c2ccc(I)cc2c1=O)[C@H]1CCC(C)(C)C1 ZINC000478218769 998829419 /nfs/dbraw/zinc/82/94/19/998829419.db2.gz SLBCYEUWLBQBDF-LBPRGKRZSA-N -1 3 424.282 3.783 20 0 HHADHM CCN(C(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O)[C@H](C)c1ccc(F)cc1 ZINC000486617490 998859837 /nfs/dbraw/zinc/85/98/37/998859837.db2.gz HHZNMPWOEFPYQQ-MRXNPFEDSA-N -1 3 408.477 3.822 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cnc(-c3ccsc3)s2)cc1OC ZINC000486669948 998885638 /nfs/dbraw/zinc/88/56/38/998885638.db2.gz ITUOJPKBRTZXHN-UHFFFAOYSA-N -1 3 423.541 3.894 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N3CCC(CC)(CC)CC3)c2)n1 ZINC000486709950 998903012 /nfs/dbraw/zinc/90/30/12/998903012.db2.gz IJGYAQUVCDDZLX-UHFFFAOYSA-N -1 3 410.518 3.779 20 0 HHADHM O=S(=O)(Cc1cc(Cl)cc(Cl)c1)[N-]Cc1nc(-c2cccc(F)c2)no1 ZINC000486844734 998969514 /nfs/dbraw/zinc/96/95/14/998969514.db2.gz LEVMXVLKBLAWBS-UHFFFAOYSA-N -1 3 416.261 3.802 20 0 HHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)NC(C)(C)CCO)ccc2C)c(C)c1 ZINC000478475711 998981390 /nfs/dbraw/zinc/98/13/90/998981390.db2.gz LVYBAICRAGREQK-UHFFFAOYSA-N -1 3 418.559 3.612 20 0 HHADHM COCCCCC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000478504418 998998891 /nfs/dbraw/zinc/99/88/91/998998891.db2.gz FVCBTSMZSMXESK-UHFFFAOYSA-N -1 3 406.504 3.560 20 0 HHADHM O=C(N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000478534172 999014033 /nfs/dbraw/zinc/01/40/33/999014033.db2.gz JLUISLONBFNMQH-VLCRHTCISA-N -1 3 422.481 3.695 20 0 HHADHM CC(C)(C)CC[C@@H](CO)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000478605861 999043852 /nfs/dbraw/zinc/04/38/52/999043852.db2.gz AVYRZOWZDJUYCR-INIZCTEOSA-N -1 3 422.522 3.544 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)c3oc(C)cc3C)c2)cc1 ZINC000487046724 999047583 /nfs/dbraw/zinc/04/75/83/999047583.db2.gz PHSUKKNZVNHRGP-UHFFFAOYSA-N -1 3 414.483 3.636 20 0 HHADHM Cn1c(CC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)nc2ccc(F)cc21 ZINC000487094806 999061227 /nfs/dbraw/zinc/06/12/27/999061227.db2.gz BSKQOTSKRPWLLW-UHFFFAOYSA-N -1 3 402.278 3.540 20 0 HHADHM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cccc(CS(=O)(=O)C(C)(C)C)c3)ccc2O1 ZINC000487303447 999129314 /nfs/dbraw/zinc/12/93/14/999129314.db2.gz XMAGVFVRZDAFSR-CQSZACIVSA-N -1 3 423.556 3.524 20 0 HHADHM COCCC1(C[N-]S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)CCCCC1 ZINC000478787368 999140487 /nfs/dbraw/zinc/14/04/87/999140487.db2.gz GJHDQDYJMUSMFY-UHFFFAOYSA-N -1 3 420.934 3.703 20 0 HHADHM Cc1nc(C)c(CCC(=O)Nc2cc(Br)cc(OC(C)C)c2)c(=O)[n-]1 ZINC000487431176 999174566 /nfs/dbraw/zinc/17/45/66/999174566.db2.gz PVNWIBAZRQIQMZ-UHFFFAOYSA-N -1 3 408.296 3.920 20 0 HHADHM Cc1nc(C2([N-]S(=O)(=O)c3ccc(CC(F)(F)F)cc3)CCCCC2)no1 ZINC000478853391 999176761 /nfs/dbraw/zinc/17/67/61/999176761.db2.gz XHLAZFHOGSQQRR-UHFFFAOYSA-N -1 3 403.426 3.621 20 0 HHADHM CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000487446478 999179463 /nfs/dbraw/zinc/17/94/63/999179463.db2.gz WIOVMSRXFVXBGF-OAHLLOKOSA-N -1 3 418.335 3.858 20 0 HHADHM Cc1c(C(=O)Nc2cc(Br)ccc2[O-])nnn1Cc1ccc(F)cc1F ZINC000478874626 999187639 /nfs/dbraw/zinc/18/76/39/999187639.db2.gz UZBHAHPTGQOQFO-UHFFFAOYSA-N -1 3 423.217 3.633 20 0 HHADHM COc1ccc(-c2csc3[n-]c(-c4cnc(N(C)C)cn4)nc(=O)c23)cc1OC ZINC000487513927 999204694 /nfs/dbraw/zinc/20/46/94/999204694.db2.gz KLVREFGODLTYJR-UHFFFAOYSA-N -1 3 409.471 3.604 20 0 HHADHM CCOc1c(Cl)cccc1CNCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000487552558 999212260 /nfs/dbraw/zinc/21/22/60/999212260.db2.gz BMGXNDJTKIHWLH-UHFFFAOYSA-N -1 3 409.360 3.522 20 0 HHADHM O=C1[N-][C@H](c2ccc(OC(F)F)cc2)C(=O)N1Cc1c(F)cc(F)c(F)c1F ZINC000479014768 999246988 /nfs/dbraw/zinc/24/69/88/999246988.db2.gz DIFITVOKPBGOGO-CQSZACIVSA-N -1 3 404.266 3.638 20 0 HHADHM C[C@H]1Cc2ccccc2N1Cc1occc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000487717146 999263683 /nfs/dbraw/zinc/26/36/83/999263683.db2.gz RZVPJFXBZYDMNA-AWEZNQCLSA-N -1 3 400.442 3.663 20 0 HHADHM C[C@H]1Cc2ccccc2N1Cc1occc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000487717146 999263687 /nfs/dbraw/zinc/26/36/87/999263687.db2.gz RZVPJFXBZYDMNA-AWEZNQCLSA-N -1 3 400.442 3.663 20 0 HHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N1CCc2ccc(Br)cc21 ZINC000488048848 999358979 /nfs/dbraw/zinc/35/89/79/999358979.db2.gz OFQXYUZZOYBBHG-UHFFFAOYSA-N -1 3 413.275 3.517 20 0 HHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000479277597 999361261 /nfs/dbraw/zinc/36/12/61/999361261.db2.gz ZIHKOIDOIFGQFF-OAHLLOKOSA-N -1 3 407.873 3.794 20 0 HHADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc([C@@H](C)N3CCOCC3)cc2)cc1 ZINC000479310123 999378087 /nfs/dbraw/zinc/37/80/87/999378087.db2.gz IWWGNSUVENPPKT-QGZVFWFLSA-N -1 3 404.532 3.669 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC[C@H]3CC3(C)C)c2)cc1 ZINC000488114698 999380489 /nfs/dbraw/zinc/38/04/89/999380489.db2.gz FAXVXEZWGRJVTE-MRXNPFEDSA-N -1 3 416.543 3.970 20 0 HHADHM CCCNc1ccc(Cl)cc1NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000488180676 999404821 /nfs/dbraw/zinc/40/48/21/999404821.db2.gz RKNSEYHYPHLFPO-UHFFFAOYSA-N -1 3 411.893 3.797 20 0 HHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)COc3ccccc3Br)cc2)n1 ZINC000488281218 999422394 /nfs/dbraw/zinc/42/23/94/999422394.db2.gz OARYQJJXPVSEBM-UHFFFAOYSA-N -1 3 414.259 3.525 20 0 HHADHM COCc1cnc(NC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)s1 ZINC000488291794 999425862 /nfs/dbraw/zinc/42/58/62/999425862.db2.gz OHHNSQNUWKQPPG-UHFFFAOYSA-N -1 3 424.910 3.531 20 0 HHADHM Cc1ccc(-c2nc(NC(=O)C3CCN(C(=O)c4ccc(Cl)s4)CC3)n[n-]2)o1 ZINC000479472575 999432056 /nfs/dbraw/zinc/43/20/56/999432056.db2.gz DIJJJYKNYGXHPB-UHFFFAOYSA-N -1 3 419.894 3.579 20 0 HHADHM COc1cccc(Cc2nnc([N-]C(=O)c3cc(C)nc(C(F)(F)F)n3)s2)c1 ZINC000488315754 999436764 /nfs/dbraw/zinc/43/67/64/999436764.db2.gz DKQMFLVFNBFGTL-UHFFFAOYSA-N -1 3 409.393 3.507 20 0 HHADHM Cc1ccc(-c2nc(NC(=O)c3cc(C)nc4c3cnn4Cc3cccs3)n[n-]2)o1 ZINC000479482824 999437211 /nfs/dbraw/zinc/43/72/11/999437211.db2.gz ZOUHGARIENBDFL-UHFFFAOYSA-N -1 3 419.470 3.788 20 0 HHADHM COCC(=O)N1CCc2cc([N-]S(=O)(=O)c3ccc(CCC(C)C)cc3)ccc21 ZINC000488388246 999470668 /nfs/dbraw/zinc/47/06/68/999470668.db2.gz PHGGBCGXSQQGNI-UHFFFAOYSA-N -1 3 416.543 3.612 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3CC2CC2)c(C)c1F ZINC000479561196 999478174 /nfs/dbraw/zinc/47/81/74/999478174.db2.gz XOAHSQGQNWFNKH-UHFFFAOYSA-N -1 3 418.490 3.633 20 0 HHADHM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3CC2CC2)cc1 ZINC000479563491 999479538 /nfs/dbraw/zinc/47/95/38/999479538.db2.gz CNDNGGJIIQCMTR-UHFFFAOYSA-N -1 3 414.527 3.964 20 0 HHADHM Cc1ccc(C(=O)N[C@H](C(=O)NCc2ccc([O-])c(Br)c2)C(C)C)cc1 ZINC000488656369 999561142 /nfs/dbraw/zinc/56/11/42/999561142.db2.gz DXXCLYNDKCKQEI-SFHVURJKSA-N -1 3 419.319 3.534 20 0 HHADHM Cc1nc2cc(F)cc(C(=O)NCc3ccc([O-])c(Br)c3)c2nc1C ZINC000488656941 999561182 /nfs/dbraw/zinc/56/11/82/999561182.db2.gz LMDJEZRCDYYTNB-UHFFFAOYSA-N -1 3 404.239 3.784 20 0 HHADHM COc1ccc2nc(C)cc(C(=O)NCc3ccc([O-])c(Br)c3)c2c1 ZINC000488663992 999563610 /nfs/dbraw/zinc/56/36/10/999563610.db2.gz HNNDMBBZLWRRGR-UHFFFAOYSA-N -1 3 401.260 3.950 20 0 HHADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)N1CCc2sccc2C1 ZINC000488665957 999564412 /nfs/dbraw/zinc/56/44/12/999564412.db2.gz GRHUUVZBVIAERM-NSHDSACASA-N -1 3 422.469 3.631 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccn(-c2cccc(Cl)c2)n1 ZINC000488670538 999566002 /nfs/dbraw/zinc/56/60/02/999566002.db2.gz WGUCZSVYJSVRFW-UHFFFAOYSA-N -1 3 406.667 3.924 20 0 HHADHM CC[C@@H](Cc1ccccc1Br)N(C)C(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000479776279 999585732 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3.777 20 0 HHADHM COCC[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1F)c1ccc(C)o1 ZINC000479993447 999678247 /nfs/dbraw/zinc/67/82/47/999678247.db2.gz VXBWLAHWCFEFJZ-ZDUSSCGKSA-N -1 3 406.273 3.546 20 0 HHADHM COCC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Br)c1ccc(C)o1 ZINC000479998930 999680813 /nfs/dbraw/zinc/68/08/13/999680813.db2.gz OUHLITHZBWIFBU-ZDUSSCGKSA-N -1 3 406.273 3.546 20 0 HHADHM O=S(=O)([N-]CCc1cccc2cccnc21)c1cccc(OC(F)(F)F)c1F ZINC000489063819 999687144 /nfs/dbraw/zinc/68/71/44/999687144.db2.gz ALNLOOADNFETQI-UHFFFAOYSA-N -1 3 414.380 3.794 20 0 HHADHM COCC[C@H]([N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl)c1ccc(C)o1 ZINC000480048150 999701021 /nfs/dbraw/zinc/70/10/21/999701021.db2.gz BYWWXDBVQNFIRT-NSHDSACASA-N -1 3 408.303 3.960 20 0 HHADHM CCOC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)cc2)c1 ZINC000489116460 999704012 /nfs/dbraw/zinc/70/40/12/999704012.db2.gz MCYOZWVCMMNGTN-UHFFFAOYSA-N -1 3 405.863 3.503 20 0 HHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2ncc(F)cc2I)c(C)c1 ZINC000480103005 999717896 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1004662974 /nfs/dbraw/zinc/66/29/74/1004662974.db2.gz LHMJPZSHFCURCF-CQSZACIVSA-N -1 3 420.947 3.735 20 0 HHADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3cnoc3C)c2)c(C)c1 ZINC000501795456 1004737827 /nfs/dbraw/zinc/73/78/27/1004737827.db2.gz LPJDTGNOTJXTLJ-UHFFFAOYSA-N -1 3 415.471 3.743 20 0 HHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(CS(=O)(=O)C(C)C)cc2)c(C)c1 ZINC000501830227 1004763824 /nfs/dbraw/zinc/76/38/24/1004763824.db2.gz SVQKLBOMWBQJKS-UHFFFAOYSA-N -1 3 411.545 3.518 20 0 HHADHM CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)[N-]Cc2csc3ccccc23)c1 ZINC000501857805 1004780280 /nfs/dbraw/zinc/78/02/80/1004780280.db2.gz WZCOHLGTJPSMRZ-UHFFFAOYSA-N -1 3 423.487 3.704 20 0 HHADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H](C)c3ccc(Br)cc3)nc21 ZINC000501869410 1004787221 /nfs/dbraw/zinc/78/72/21/1004787221.db2.gz YJBSRTJTNXLHKB-JTQLQIEISA-N -1 3 402.248 3.854 20 0 HHADHM CC[C@@H](c1nnc([N-]C(=O)c2nnn(Cc3cc(C)on3)c2C)s1)c1ccccc1 ZINC000510673847 1004792208 /nfs/dbraw/zinc/79/22/08/1004792208.db2.gz FMCJUNFMOKPXEZ-MRXNPFEDSA-N -1 3 423.502 3.577 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@@H](C)c2cc(C)cc(C)c2)cc1OC ZINC000502002427 1004855876 /nfs/dbraw/zinc/85/58/76/1004855876.db2.gz PHXNKBCWZPIDEJ-HNNXBMFYSA-N -1 3 405.520 3.956 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CC[C@H](c3ccccc3F)C2)cc1OC ZINC000502059853 1004883787 /nfs/dbraw/zinc/88/37/87/1004883787.db2.gz BBJOPPKQRZHQEQ-AWEZNQCLSA-N -1 3 421.494 3.617 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CC2(CCCC2)c2c1cccc2F ZINC000502139951 1004920072 /nfs/dbraw/zinc/92/00/72/1004920072.db2.gz NLTZAJMMLMHZIB-UHFFFAOYSA-N -1 3 418.472 3.681 20 0 HHADHM Cc1ccc(Oc2ccc(NC(=O)c3cncc([N-]S(C)(=O)=O)c3)cn2)cc1C ZINC000502230229 1004969213 /nfs/dbraw/zinc/96/92/13/1004969213.db2.gz DVUTZXGYIKOGEO-UHFFFAOYSA-N -1 3 412.471 3.510 20 0 HHADHM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)c1c(F)cncc1F ZINC000511024632 1004985335 /nfs/dbraw/zinc/98/53/35/1004985335.db2.gz CHAIMHYAVPTXKC-ZETCQYMHSA-N -1 3 411.655 3.815 20 0 HHADHM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)c1c(F)cncc1F ZINC000511024631 1004985385 /nfs/dbraw/zinc/98/53/85/1004985385.db2.gz CHAIMHYAVPTXKC-SSDOTTSWSA-N -1 3 411.655 3.815 20 0 HHADHM O=C(NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)Nc1ccccc1Cl ZINC000513543436 1005014552 /nfs/dbraw/zinc/01/45/52/1005014552.db2.gz UBDKMCWJARFZRQ-UHFFFAOYSA-N -1 3 422.721 3.747 20 0 HHADHM Cc1cc(F)c([N-]C(=O)c2nc3cccnc3s2)c(I)c1 ZINC000513638841 1005060659 /nfs/dbraw/zinc/06/06/59/1005060659.db2.gz WLTNSZXSUXKINY-UHFFFAOYSA-N -1 3 413.215 3.996 20 0 HHADHM CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)c2cncc([N-]S(C)(=O)=O)c2)cc1 ZINC000502464769 1005083986 /nfs/dbraw/zinc/08/39/86/1005083986.db2.gz KGYLTQPIVVFQDO-IBGZPJMESA-N -1 3 401.532 3.728 20 0 HHADHM COCCOc1ccc([N-]S(=O)(=O)c2c(C)cc(Br)cc2C)cc1 ZINC000511243326 1005088189 /nfs/dbraw/zinc/08/81/89/1005088189.db2.gz PPMZNADGHPMILE-UHFFFAOYSA-N -1 3 414.321 3.892 20 0 HHADHM CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)c1 ZINC000502496022 1005092323 /nfs/dbraw/zinc/09/23/23/1005092323.db2.gz SUNNAUDCUJYFCB-UHFFFAOYSA-N -1 3 423.249 3.514 20 0 HHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CCc4cccc(F)c4C3)nc(=O)c2c1C ZINC000502501080 1005093977 /nfs/dbraw/zinc/09/39/77/1005093977.db2.gz NUSHOXGFIGLGKY-GFCCVEGCSA-N -1 3 415.490 3.728 20 0 HHADHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc3nc[nH]c3c2)cc1 ZINC000511331187 1005127507 /nfs/dbraw/zinc/12/75/07/1005127507.db2.gz CMCHXHQQSKWGDU-UHFFFAOYSA-N -1 3 406.467 3.924 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@H](C)Cc2ccccc2Cl)cc1OC ZINC000513850751 1005157916 /nfs/dbraw/zinc/15/79/16/1005157916.db2.gz BHBMOQHIGUZXDE-CYBMUJFWSA-N -1 3 410.923 3.928 20 0 HHADHM Cc1cccc2sc(NC(=O)CCc3c(C)nc(-c4ccncc4)[n-]c3=O)nc21 ZINC000511467833 1005188604 /nfs/dbraw/zinc/18/86/04/1005188604.db2.gz ZVQQPRVWUZFFDU-UHFFFAOYSA-N -1 3 405.483 3.630 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CC=C(c2ccc(F)cc2)CC1 ZINC000511474862 1005191925 /nfs/dbraw/zinc/19/19/25/1005191925.db2.gz MSXMNMTUVFPYIZ-UHFFFAOYSA-N -1 3 418.472 3.528 20 0 HHADHM CC(C)(C)c1ccc(C2(CNC(=O)c3cncc([N-]S(C)(=O)=O)c3)CCC2)cc1 ZINC000502801524 1005223790 /nfs/dbraw/zinc/22/37/90/1005223790.db2.gz AMTHOTLFTNWGFB-UHFFFAOYSA-N -1 3 415.559 3.602 20 0 HHADHM CS(=O)(=O)[N-]c1cncc(C(=O)Nc2cc(F)ccc2Oc2ccccc2)c1 ZINC000502947754 1005287894 /nfs/dbraw/zinc/28/78/94/1005287894.db2.gz WVBXMASZFDQPPU-UHFFFAOYSA-N -1 3 401.419 3.637 20 0 HHADHM O=S(=O)([N-]Cc1cn2ccsc2n1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000503239822 1005375017 /nfs/dbraw/zinc/37/50/17/1005375017.db2.gz YDJIYCWCAXOZBA-UHFFFAOYSA-N -1 3 410.933 3.651 20 0 HHADHM C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)c1cncc([N-]S(C)(=O)=O)c1 ZINC000503571432 1005455723 /nfs/dbraw/zinc/45/57/23/1005455723.db2.gz JASGUCUUAZHOHW-JTQLQIEISA-N -1 3 414.314 3.519 20 0 HHADHM COc1ccc([C@@H](NC(=O)c2cc(F)cc3n[n-]nc32)c2ccccc2OC)cc1 ZINC000503731883 1005486765 /nfs/dbraw/zinc/48/67/65/1005486765.db2.gz VLLWUOWUBXACPE-HXUWFJFHSA-N -1 3 406.417 3.634 20 0 HHADHM CCCCCn1cc(CNC(=O)NCc2ccc([O-])c(Br)c2)c(C)n1 ZINC000503797828 1005494732 /nfs/dbraw/zinc/49/47/32/1005494732.db2.gz QTZHWBIQMDIQCB-UHFFFAOYSA-N -1 3 409.328 3.849 20 0 HHADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000504046487 1005540293 /nfs/dbraw/zinc/54/02/93/1005540293.db2.gz VGHRNEKRXLKPRQ-LSDHHAIUSA-N -1 3 412.964 3.522 20 0 HHADHM O=C(c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)N1CCc2c(=O)[n-]cnc2C1 ZINC000504139431 1005560277 /nfs/dbraw/zinc/56/02/77/1005560277.db2.gz VDVCNUWOXVVNLP-UHFFFAOYSA-N -1 3 416.359 3.587 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)N3CCC[C@H](c4nncn4C(C)C)C3)cc2)cc(=O)[n-]1 ZINC000504430667 1005627090 /nfs/dbraw/zinc/62/70/90/1005627090.db2.gz DUEQXZGNZADPGP-KRWDZBQOSA-N -1 3 421.505 3.742 20 0 HHADHM O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N1CCCC12CCCCC2 ZINC000534045276 1006014146 /nfs/dbraw/zinc/01/41/46/1006014146.db2.gz QWABWYIDGZZFLF-UHFFFAOYSA-N -1 3 419.374 3.987 20 0 HHADHM CC(=O)CSCc1nc(=O)c2c(C)c(C(=O)Nc3ccc(C)cc3C)sc2[n-]1 ZINC000531142408 1006015334 /nfs/dbraw/zinc/01/53/34/1006015334.db2.gz FPZUWYYCWOKKBO-UHFFFAOYSA-N -1 3 415.540 3.984 20 0 HHADHM COc1ccccc1[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)N(C)C ZINC000514644255 1006069290 /nfs/dbraw/zinc/06/92/90/1006069290.db2.gz UXNDQCRQFQMEEX-HNNXBMFYSA-N -1 3 403.331 3.583 20 0 HHADHM O=S(=O)([N-]CCc1nc2c(s1)CCCC2)c1ccc(F)cc1C(F)(F)F ZINC000534116245 1006092050 /nfs/dbraw/zinc/09/20/50/1006092050.db2.gz FQKQOPRWNPIOKE-UHFFFAOYSA-N -1 3 408.442 3.701 20 0 HHADHM O=C(NCCc1cc(F)ccc1F)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000531329375 1006126575 /nfs/dbraw/zinc/12/65/75/1006126575.db2.gz RZLIMCXXAZYIIC-UHFFFAOYSA-N -1 3 407.214 3.541 20 0 HHADHM O=C(N[C@@H]1CCO[C@H]1c1ccccc1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000531335712 1006129643 /nfs/dbraw/zinc/12/96/43/1006129643.db2.gz VMUKFCGJBHSHLS-APWZRJJASA-N -1 3 413.271 3.551 20 0 HHADHM CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cc(F)ccc2[O-])cc1 ZINC000531373319 1006158140 /nfs/dbraw/zinc/15/81/40/1006158140.db2.gz OWIWJDAHTMFVGC-UHFFFAOYSA-N -1 3 414.458 3.999 20 0 HHADHM CCC[C@H](NC(=O)Cc1ccccc1)C(=O)Nc1cc(Br)ccc1[O-] ZINC000531393816 1006170228 /nfs/dbraw/zinc/17/02/28/1006170228.db2.gz GMOUTUDJBNMKSQ-HNNXBMFYSA-N -1 3 405.292 3.621 20 0 HHADHM CO[C@@]1(C)C[C@H](N(C)C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1(C)C ZINC000531442534 1006199321 /nfs/dbraw/zinc/19/93/21/1006199321.db2.gz LEVRIPLJJWVVPT-LPHOPBHVSA-N -1 3 407.308 3.566 20 0 HHADHM Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)CNC(=O)c1ccc([O-])cc1 ZINC000531580984 1006283913 /nfs/dbraw/zinc/28/39/13/1006283913.db2.gz SPZOHHPFLPNSNK-OAHLLOKOSA-N -1 3 409.511 3.774 20 0 HHADHM O=C(CNC(=O)c1ccc([O-])cc1)N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000534338016 1006306425 /nfs/dbraw/zinc/30/64/25/1006306425.db2.gz JCXHBYGZCKUITK-AEFFLSMTSA-N -1 3 406.404 3.593 20 0 HHADHM O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccc(Br)cc1[O-] ZINC000515205952 1006338588 /nfs/dbraw/zinc/33/85/88/1006338588.db2.gz VFJHHTXIIWZNDN-UHFFFAOYSA-N -1 3 421.335 3.816 20 0 HHADHM CC(C)CN(Cc1ccccc1Br)C(=O)CNC(=O)c1ccc([O-])cc1 ZINC000531761617 1006405525 /nfs/dbraw/zinc/40/55/25/1006405525.db2.gz UXHBBNNHPMGTRN-UHFFFAOYSA-N -1 3 419.319 3.569 20 0 HHADHM COC(C)(C)CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C ZINC000531827481 1006452591 /nfs/dbraw/zinc/45/25/91/1006452591.db2.gz JPNSATOCRJZDJE-UHFFFAOYSA-N -1 3 404.532 3.601 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CC(C)(C)[C@H]1c1cccs1 ZINC000515473417 1006486294 /nfs/dbraw/zinc/48/62/94/1006486294.db2.gz QIUSHXJTQWHOBM-LJQANCHMSA-N -1 3 408.527 3.744 20 0 HHADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(OCc3nc(C)no3)cc2)cc1CC ZINC000534498205 1006496465 /nfs/dbraw/zinc/49/64/65/1006496465.db2.gz VMGMNUMQQZYLSQ-UHFFFAOYSA-N -1 3 401.488 3.883 20 0 HHADHM Cc1cccc(C(C)C)c1NC(=O)C[S@@](=O)Cc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000534500453 1006499857 /nfs/dbraw/zinc/49/98/57/1006499857.db2.gz FGGTUBSVAKRHHX-NDEPHWFRSA-N -1 3 415.437 3.520 20 0 HHADHM CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000531981105 1006558137 /nfs/dbraw/zinc/55/81/37/1006558137.db2.gz 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ACWDGHWSOZCMBZ-UHFFFAOYSA-N -1 3 404.466 3.750 20 0 HHADHM CC(C)(C)[C@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccc(F)cc1 ZINC000303133046 971520660 /nfs/dbraw/zinc/52/06/60/971520660.db2.gz SDOGDUDGCSQULY-MRXNPFEDSA-N -1 3 418.943 3.723 20 0 HHADHM O=S(=O)([N-]CC1CCN(Cc2ccccc2Cl)CC1)c1c(F)cccc1F ZINC000303309246 971618286 /nfs/dbraw/zinc/61/82/86/971618286.db2.gz OOGKOMIJAZZRSZ-UHFFFAOYSA-N -1 3 414.905 3.809 20 0 HHADHM C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000303493487 971791004 /nfs/dbraw/zinc/79/10/04/971791004.db2.gz SQOYVBCHEGTIAA-KBXCAEBGSA-N -1 3 420.431 3.763 20 0 HHADHM O=S(=O)([N-]c1ccc(OCc2noc(C3CC3)n2)cc1)c1ccc(Cl)cc1 ZINC000303518321 971818976 /nfs/dbraw/zinc/81/89/76/971818976.db2.gz USZGTQZKBMRIRL-UHFFFAOYSA-N -1 3 405.863 3.980 20 0 HHADHM O=c1[n-]nc(SCC/C=C/c2ccc(Br)cc2)n1C[C@H]1CCCO1 ZINC000303690616 971966478 /nfs/dbraw/zinc/96/64/78/971966478.db2.gz PNSNDJJLBZKMOA-NTHKTCTLSA-N -1 3 410.337 3.709 20 0 HHADHM 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ZINC000013251077 962379159 /nfs/dbraw/zinc/37/91/59/962379159.db2.gz DPSSLLVKZDBFJJ-UHFFFAOYSA-N -1 3 402.516 3.950 20 0 HHADHM Cc1nnc([N-]C(=O)c2cc(S(=O)(=O)N(C)c3ccccc3)ccc2Cl)s1 ZINC000014715905 962559403 /nfs/dbraw/zinc/55/94/03/962559403.db2.gz HHFZQDWJNAKNFG-UHFFFAOYSA-N -1 3 422.919 3.577 20 0 HHADHM O=S(=O)(Cc1ccccc1Br)[N-]Cc1cc(-c2ccccc2)no1 ZINC000553448672 1013362872 /nfs/dbraw/zinc/36/28/72/1013362872.db2.gz KDFVQTXVHHQVGV-UHFFFAOYSA-N -1 3 407.289 3.724 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCc3ccccc3)ccc2C)cc1 ZINC000015344889 962729077 /nfs/dbraw/zinc/72/90/77/962729077.db2.gz TVIHEYIIZIEFKX-UHFFFAOYSA-N -1 3 424.522 3.777 20 0 HHADHM COc1ccc(Br)c(C(=O)[N-]NC(=S)Nc2cccc(Cl)c2)c1 ZINC000015913901 962895311 /nfs/dbraw/zinc/89/53/11/962895311.db2.gz XFBQXLWADISGFN-UHFFFAOYSA-N -1 3 414.712 3.743 20 0 HHADHM CCOC(=O)c1ccc(NC(=S)N[N-]C(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000016240313 962987787 /nfs/dbraw/zinc/98/77/87/962987787.db2.gz CFSXOHAMYNMLBZ-UHFFFAOYSA-N -1 3 412.298 3.802 20 0 HHADHM Cc1ccc(OCC(=O)[N-]NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000017112017 963154385 /nfs/dbraw/zinc/15/43/85/963154385.db2.gz UMGDRFBLOOBYPL-UHFFFAOYSA-N -1 3 420.309 3.873 20 0 HHADHM O=C(NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)c1ccccc1[O-] ZINC000017262528 963174148 /nfs/dbraw/zinc/17/41/48/963174148.db2.gz GRYLWLPQSSZQQP-WJDWOHSUSA-N -1 3 402.859 3.512 20 0 HHADHM Cc1csc(Sc2ccc(C(=O)[N-]NC(=O)OC(C)(C)C)cc2[N+](=O)[O-])n1 ZINC000017398294 963199754 /nfs/dbraw/zinc/19/97/54/963199754.db2.gz DGSRLQDXSWBUJG-UHFFFAOYSA-N -1 3 410.477 3.680 20 0 HHADHM Cn1ccnc1[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccc(Cl)cc1 ZINC000017521430 963206667 /nfs/dbraw/zinc/20/66/67/963206667.db2.gz AELSHVVKFBFNFL-INIZCTEOSA-N -1 3 415.824 3.559 20 0 HHADHM Cc1noc(C2CC2)c1[N-]C(=O)c1cc(I)c(F)cc1F ZINC000542463037 1013410224 /nfs/dbraw/zinc/41/02/24/1013410224.db2.gz HVYVOJNWVBFRBC-UHFFFAOYSA-N -1 3 404.154 3.996 20 0 HHADHM Cc1ccc(-c2nc(NC(=O)c3cc(OC(F)F)cc(OC(F)F)c3)n[n-]2)o1 ZINC000553517921 1013416770 /nfs/dbraw/zinc/41/67/70/1013416770.db2.gz CTNFNXIMRRACMV-UHFFFAOYSA-N -1 3 400.288 3.828 20 0 HHADHM Cc1nn(C)cc1S(=O)(=O)[N-][C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000553518848 1013417933 /nfs/dbraw/zinc/41/79/33/1013417933.db2.gz VNYFKEJWGPQORC-GFCCVEGCSA-N -1 3 415.359 3.719 20 0 HHADHM CCOc1ccc(OCCSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cc1 ZINC000022312772 963632314 /nfs/dbraw/zinc/63/23/14/963632314.db2.gz SXMYXYRXLOGXBU-UHFFFAOYSA-N -1 3 408.483 3.679 20 0 HHADHM O=c1nc(CN2CCO[C@@H](c3ccc(F)cc3)C2)[n-]c2scc(-c3ccco3)c21 ZINC000023186452 963778507 /nfs/dbraw/zinc/77/85/07/963778507.db2.gz LMDKHIQFSNJFCJ-QGZVFWFLSA-N -1 3 411.458 3.957 20 0 HHADHM CCn1c(C)cc(C(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)c1C ZINC000023295432 963795815 /nfs/dbraw/zinc/79/58/15/963795815.db2.gz WUOWBNBVNZWOTK-UHFFFAOYSA-N -1 3 407.499 3.934 20 0 HHADHM Cc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3F)c2)n1C ZINC000023989038 963916138 /nfs/dbraw/zinc/91/61/38/963916138.db2.gz AHUNNCLQORFGSH-UHFFFAOYSA-N -1 3 401.463 3.834 20 0 HHADHM CCN(C(=O)[C@@H](C)Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)c1ccccc1 ZINC000024536153 964014431 /nfs/dbraw/zinc/01/44/31/964014431.db2.gz XLLMFTKNWPKYNE-OAHLLOKOSA-N -1 3 419.510 3.643 20 0 HHADHM CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000024896361 964103761 /nfs/dbraw/zinc/10/37/61/964103761.db2.gz TXXMXYAIDWOPID-UHFFFAOYSA-N -1 3 419.503 3.586 20 0 HHADHM C[C@@H](CCOCc1ccccc1)[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000553574782 1013471830 /nfs/dbraw/zinc/47/18/30/1013471830.db2.gz DJMNLOBXESUVKN-ZDUSSCGKSA-N -1 3 416.312 3.862 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C=Cc3ccc(OC)c(OC)c3)c2)n1 ZINC000049301808 964146463 /nfs/dbraw/zinc/14/64/63/964146463.db2.gz VKOLCNHYWCVKFG-PKNBQFBNSA-N -1 3 405.454 3.668 20 0 HHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NCC(F)(F)c1ccc(Cl)cc1 ZINC000553577987 1013474565 /nfs/dbraw/zinc/47/45/65/1013474565.db2.gz OIIJUCQZLSXAPE-UHFFFAOYSA-N -1 3 418.831 3.657 20 0 HHADHM Cc1csc(SCc2ccccc2C(=O)N[N-]C(=O)c2ccccc2F)n1 ZINC000049946746 964226947 /nfs/dbraw/zinc/22/69/47/964226947.db2.gz RKYWTQMGTGROSJ-UHFFFAOYSA-N -1 3 401.488 3.958 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CCC[C@@H]2Cc2ccccc2)cc1OC ZINC000050040277 964247114 /nfs/dbraw/zinc/24/71/14/964247114.db2.gz AVRBYSPBXYCBPG-GOSISDBHSA-N -1 3 417.531 3.696 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccncc3)cc2)cc1NC(C)=O ZINC000050534639 964349365 /nfs/dbraw/zinc/34/93/65/964349365.db2.gz UZZGVFWUKCYVOB-UHFFFAOYSA-N -1 3 413.455 3.642 20 0 HHADHM Cn1c(SCc2nc(=O)c3c(-c4ccco4)csc3[n-]2)nnc1-c1ccncc1 ZINC000026042871 964428371 /nfs/dbraw/zinc/42/83/71/964428371.db2.gz QQDIVXMVPAWWHZ-UHFFFAOYSA-N -1 3 422.495 3.727 20 0 HHADHM O=c1[n-]c(CN(Cc2cccc(F)c2)C[C@H]2CCCO2)nc2c3ccccc3oc21 ZINC000050963802 964433638 /nfs/dbraw/zinc/43/36/38/964433638.db2.gz ZDZJISUEWOKUPC-QGZVFWFLSA-N -1 3 407.445 3.990 20 0 HHADHM CCCOc1c(Br)cc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1OC ZINC000026255343 964505961 /nfs/dbraw/zinc/50/59/61/964505961.db2.gz BLZWYQVLORQKJP-UHFFFAOYSA-N -1 3 423.189 3.636 20 0 HHADHM CCCOc1c(Br)cc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1OC ZINC000026255343 964505966 /nfs/dbraw/zinc/50/59/66/964505966.db2.gz BLZWYQVLORQKJP-UHFFFAOYSA-N -1 3 423.189 3.636 20 0 HHADHM COCCOc1ccc(S(=O)(=O)[N-]c2cccc(C3SCCS3)c2)cc1 ZINC000026535050 964593244 /nfs/dbraw/zinc/59/32/44/964593244.db2.gz GUSRCKKHICNTCH-UHFFFAOYSA-N -1 3 411.570 3.991 20 0 HHADHM C[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N1CCc2sccc2C1 ZINC000026839517 964692336 /nfs/dbraw/zinc/69/23/36/964692336.db2.gz ZTVKCSUVXFPSSD-LLVKDONJSA-N -1 3 405.372 3.780 20 0 HHADHM O=C(Nc1ccccc1)[C@@H]1CCCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C1 ZINC000027572066 964920314 /nfs/dbraw/zinc/92/03/14/964920314.db2.gz PUYGBJUQISIVOW-OAHLLOKOSA-N -1 3 402.454 3.932 20 0 HHADHM C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])c1ccc(C(F)(F)F)cc1 ZINC000052558788 964930472 /nfs/dbraw/zinc/93/04/72/964930472.db2.gz USXRLKJLJHLRHV-SUMWQHHRSA-N -1 3 406.404 3.893 20 0 HHADHM CN(C)Cc1ccccc1NC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000052666111 964945721 /nfs/dbraw/zinc/94/57/21/964945721.db2.gz CMSMSVASUJMXMX-UHFFFAOYSA-N -1 3 415.540 3.863 20 0 HHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(NC(=O)NC[C@H]3CCCO3)cc2)c(C)c1 ZINC000027801449 964974629 /nfs/dbraw/zinc/97/46/29/964974629.db2.gz CYPJEZCJRGOSNO-LJQANCHMSA-N -1 3 417.531 3.713 20 0 HHADHM O=S(=O)([N-]C1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(F)cc1F ZINC000052782865 964986184 /nfs/dbraw/zinc/98/61/84/964986184.db2.gz RAZMEUYGTFDURE-UHFFFAOYSA-N -1 3 400.878 3.561 20 0 HHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(Cc2nc3ccsc3c(=O)[nH]2)CC1 ZINC000053019251 965041267 /nfs/dbraw/zinc/04/12/67/965041267.db2.gz XGRFPMODSWLKPP-UHFFFAOYSA-N -1 3 418.906 3.607 20 0 HHADHM CCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)NCc2ccoc2)c(Cl)cc1Cl ZINC000053038476 965046324 /nfs/dbraw/zinc/04/63/24/965046324.db2.gz QYKDDJMKMZHKDH-NSHDSACASA-N -1 3 419.330 3.983 20 0 HHADHM COc1ccccc1-c1noc([C@@H](C)NCc2nc3c4ccccc4oc3c(=O)[n-]2)n1 ZINC000542609808 1013544936 /nfs/dbraw/zinc/54/49/36/1013544936.db2.gz BHJJEKDAEVFFKX-GFCCVEGCSA-N -1 3 417.425 3.991 20 0 HHADHM CCOCCCNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000028493636 965119987 /nfs/dbraw/zinc/11/99/87/965119987.db2.gz QTDJVENBBKKIJB-UHFFFAOYSA-N -1 3 418.559 3.877 20 0 HHADHM C[C@H](SCC(=O)NCc1ccco1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000028660524 965149438 /nfs/dbraw/zinc/14/94/38/965149438.db2.gz RNVNRDKCIPYPIH-NSHDSACASA-N -1 3 415.496 3.948 20 0 HHADHM Cc1sc(C[N-]S(=O)(=O)c2ncn(C)c2Cl)nc1-c1ccc(Cl)cc1 ZINC000057009677 965248682 /nfs/dbraw/zinc/24/86/82/965248682.db2.gz GYLNAGNHPDGQHM-UHFFFAOYSA-N -1 3 417.343 3.637 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(Sc3nccn3C)cc2)c(C)c1 ZINC000029052989 965252177 /nfs/dbraw/zinc/25/21/77/965252177.db2.gz NVGRQFVGHHMEAJ-UHFFFAOYSA-N -1 3 403.529 3.998 20 0 HHADHM O=C(NCCNC(=O)c1ccccc1SCc1cccs1)c1ccc([O-])cc1 ZINC000053741775 965261330 /nfs/dbraw/zinc/26/13/30/965261330.db2.gz YOJWWAQRMOIFTO-UHFFFAOYSA-N -1 3 412.536 3.906 20 0 HHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)N3CCSCC3)ccc2C)c(C)c1 ZINC000053817965 965278743 /nfs/dbraw/zinc/27/87/43/965278743.db2.gz WJWONOTYHVJMJP-UHFFFAOYSA-N -1 3 418.584 3.910 20 0 HHADHM CC(=O)c1cc(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)n(C)c1 ZINC000053850521 965293402 /nfs/dbraw/zinc/29/34/02/965293402.db2.gz MWKSFUKZZKOCTC-UHFFFAOYSA-N -1 3 411.483 3.589 20 0 HHADHM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)cc1 ZINC000057123727 965296856 /nfs/dbraw/zinc/29/68/56/965296856.db2.gz NDMTWDHMXQWRCL-LSDHHAIUSA-N -1 3 402.516 3.962 20 0 HHADHM C[C@H](Sc1nnnn1C(C)(C)C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000029591945 965425338 /nfs/dbraw/zinc/42/53/38/965425338.db2.gz QXJBXYKGYCUFHZ-VIFPVBQESA-N -1 3 402.505 3.839 20 0 HHADHM C[C@@H](c1ccccc1)N(C)C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000057467401 965465835 /nfs/dbraw/zinc/46/58/35/965465835.db2.gz YTKDOFQKNNMXCJ-ZDUSSCGKSA-N -1 3 415.342 3.881 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(-c4ccccc4OC)on3)c2)n1 ZINC000057496145 965474696 /nfs/dbraw/zinc/47/46/96/965474696.db2.gz ZFBFKXRPSPCHLM-UHFFFAOYSA-N -1 3 416.437 3.915 20 0 HHADHM C[C@@H](CCc1ccc(Br)cc1)NC(=O)N[N-]C(=O)c1ccccc1F ZINC000054648313 965592909 /nfs/dbraw/zinc/59/29/09/965592909.db2.gz YUYZPAQZNUZNFB-LBPRGKRZSA-N -1 3 408.271 3.554 20 0 HHADHM Cc1nn(C)c(Cl)c1C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000054688154 965614294 /nfs/dbraw/zinc/61/42/94/965614294.db2.gz VXTHODULSRNWKB-UHFFFAOYSA-N -1 3 418.906 3.743 20 0 HHADHM O=C([N-]NC(=O)c1cc(Cl)cc2cccnc21)c1ccccc1Br ZINC000054848907 965669320 /nfs/dbraw/zinc/66/93/20/965669320.db2.gz LGPFCTJBFCZNMQ-UHFFFAOYSA-N -1 3 404.651 3.726 20 0 HHADHM CC(C)Oc1ccc(CC[N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000030356948 965672607 /nfs/dbraw/zinc/67/26/07/965672607.db2.gz BJDCFHPDEKWRFA-UHFFFAOYSA-N -1 3 404.351 3.819 20 0 HHADHM O=S(=O)([N-]CC1(N2CCSCC2)CCCC1)c1c(Cl)cccc1Cl ZINC000030431871 965695364 /nfs/dbraw/zinc/69/53/64/965695364.db2.gz WUJYWTUNRDLZHP-UHFFFAOYSA-N -1 3 409.404 3.633 20 0 HHADHM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H]3CCCO3)cc2)cc1 ZINC000030531548 965719928 /nfs/dbraw/zinc/71/99/28/965719928.db2.gz OXWFQWAIRHDNIR-IBGZPJMESA-N -1 3 402.516 3.902 20 0 HHADHM CC[C@@H](C[N-]S(=O)(=O)c1cccnc1C(F)(F)F)Oc1ccccc1Cl ZINC000553758380 1013593987 /nfs/dbraw/zinc/59/39/87/1013593987.db2.gz GZETXQBEZAKIGV-NSHDSACASA-N -1 3 408.829 3.890 20 0 HHADHM C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000553767103 1013598745 /nfs/dbraw/zinc/59/87/45/1013598745.db2.gz CHEHMJUAYNIGMS-DYVFJYSZSA-N -1 3 414.905 3.807 20 0 HHADHM CCC(CC)C(=O)N1CCC([N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000055276834 965801968 /nfs/dbraw/zinc/80/19/68/965801968.db2.gz NRUCQCDWKJESRU-UHFFFAOYSA-N -1 3 407.363 3.699 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)OCc3ccccn3)c2)cc1 ZINC000055543629 965906580 /nfs/dbraw/zinc/90/65/80/965906580.db2.gz RYLKPKRPGKBQAU-UHFFFAOYSA-N -1 3 412.467 3.556 20 0 HHADHM O=C(NCC(F)(F)F)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)c1 ZINC000055555617 965914573 /nfs/dbraw/zinc/91/45/73/965914573.db2.gz WXCPHVPAIWLOFM-UHFFFAOYSA-N -1 3 410.776 3.572 20 0 HHADHM CCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(OC)c(Br)c2)cc1 ZINC000055616753 965964486 /nfs/dbraw/zinc/96/44/86/965964486.db2.gz VRQPWQNTRGFFMR-UHFFFAOYSA-N -1 3 413.293 3.607 20 0 HHADHM COCCOc1ccc(S(=O)(=O)[N-]c2cccc(COCc3ccco3)c2)cc1 ZINC000055633082 965977839 /nfs/dbraw/zinc/97/78/39/965977839.db2.gz UEISQYRITNQHKH-UHFFFAOYSA-N -1 3 417.483 3.822 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCCC3)c2)c(C)c1 ZINC000055650770 965996358 /nfs/dbraw/zinc/99/63/58/965996358.db2.gz SWUUJUJMZURAEN-UHFFFAOYSA-N -1 3 402.516 3.739 20 0 HHADHM O=C(N[C@H]1CCc2cc(F)ccc21)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000055657483 966004366 /nfs/dbraw/zinc/00/43/66/966004366.db2.gz LTUNRKSJLZOJMT-KRWDZBQOSA-N -1 3 417.437 3.511 20 0 HHADHM O=C1CCCN1c1ccc(F)c([N-]S(=O)(=O)c2cccc(Br)c2)c1 ZINC000055663571 966006871 /nfs/dbraw/zinc/00/68/71/966006871.db2.gz QJDATVMNJSBHLV-UHFFFAOYSA-N -1 3 413.268 3.516 20 0 HHADHM O=C1CCCN1c1ccc(F)c([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000055663605 966007751 /nfs/dbraw/zinc/00/77/51/966007751.db2.gz VILKWHOPLQQPJN-UHFFFAOYSA-N -1 3 402.369 3.772 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccc(F)c3)cc2)cc1C(N)=O ZINC000055685216 966016935 /nfs/dbraw/zinc/01/69/35/966016935.db2.gz ZWIRWRMJMGXJSS-UHFFFAOYSA-N -1 3 400.431 3.826 20 0 HHADHM CCCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)c(C)c1 ZINC000055687796 966018974 /nfs/dbraw/zinc/01/89/74/966018974.db2.gz NBSTUQPWJNZBQM-HNNXBMFYSA-N -1 3 402.516 3.882 20 0 HHADHM COc1ccc(CCC(=O)N[N-]C(=O)c2ccc(Br)cc2Cl)cc1 ZINC000055707394 966027464 /nfs/dbraw/zinc/02/74/64/966027464.db2.gz KRHFUYQCLLMNMK-UHFFFAOYSA-N -1 3 411.683 3.505 20 0 HHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)OCCCC(=O)c2ccccc2)ccc1F ZINC000031512379 966040046 /nfs/dbraw/zinc/04/00/46/966040046.db2.gz VGRYSWFZHSOKBD-UHFFFAOYSA-N -1 3 421.490 3.722 20 0 HHADHM O=C(CCOc1ccc(Cl)c(Cl)c1)N[N-]C(=O)c1ccc2ccccc2n1 ZINC000031550360 966049366 /nfs/dbraw/zinc/04/93/66/966049366.db2.gz ZFYXJHREMOVRSO-UHFFFAOYSA-N -1 3 404.253 3.772 20 0 HHADHM O=S(=O)([N-]Cc1ccccc1OC1CCCC1)c1cccnc1C(F)(F)F ZINC000553799455 1013624014 /nfs/dbraw/zinc/62/40/14/1013624014.db2.gz WWAXPLNCHQUVPS-UHFFFAOYSA-N -1 3 400.422 3.900 20 0 HHADHM CCCOc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)c(C)c1 ZINC000055990481 966173079 /nfs/dbraw/zinc/17/30/79/966173079.db2.gz QNMPPSCSBTZOCW-UHFFFAOYSA-N -1 3 406.479 3.616 20 0 HHADHM COc1cccc(Oc2ccc(CNC(=O)c3cc(=O)c4ccccc4[n-]3)cn2)c1 ZINC000056016454 966184235 /nfs/dbraw/zinc/18/42/35/966184235.db2.gz AEJFEKVESPLOKQ-UHFFFAOYSA-N -1 3 401.422 3.654 20 0 HHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(N3CCCCC3)c2)ccc1F ZINC000056224985 966265871 /nfs/dbraw/zinc/26/58/71/966265871.db2.gz LHHDQRSRKNYAAL-UHFFFAOYSA-N -1 3 419.522 3.755 20 0 HHADHM CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)c1 ZINC000032590803 966289618 /nfs/dbraw/zinc/28/96/18/966289618.db2.gz WEAGWBLAYQWMJZ-UHFFFAOYSA-N -1 3 408.785 3.840 20 0 HHADHM C[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)n1ccnc1 ZINC000056482558 966355732 /nfs/dbraw/zinc/35/57/32/966355732.db2.gz ZZRARARSFSEHQB-CYBMUJFWSA-N -1 3 404.879 3.537 20 0 HHADHM CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2 ZINC000542735513 1013648325 /nfs/dbraw/zinc/64/83/25/1013648325.db2.gz XTSNBWYSJNNTRS-UHFFFAOYSA-N -1 3 417.506 3.672 20 0 HHADHM COc1ccc(NC(=O)[C@H](C)SC)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000033245350 966404298 /nfs/dbraw/zinc/40/42/98/966404298.db2.gz PLTBCQWOPNWGCB-NSHDSACASA-N -1 3 414.936 3.839 20 0 HHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3ccc(-c4ccccc4)[nH]c3=O)nc(=O)c2c1C ZINC000061436658 966463683 /nfs/dbraw/zinc/46/36/83/966463683.db2.gz QUKRREBPIJGLPS-GFCCVEGCSA-N -1 3 421.478 3.875 20 0 HHADHM O=C(NCC1(c2ccc(F)cc2)CCCCC1)N[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000056803979 966472269 /nfs/dbraw/zinc/47/22/69/966472269.db2.gz RIONVRQOIMLYBG-UHFFFAOYSA-N -1 3 414.437 3.580 20 0 HHADHM Cc1c(-c2ccccc2)oc2c(C(=O)[N-]NC(=O)c3ccc(C#N)cc3)cccc2c1=O ZINC000061474569 966475653 /nfs/dbraw/zinc/47/56/53/966475653.db2.gz GSKKODWCNGQMFX-UHFFFAOYSA-N -1 3 423.428 3.715 20 0 HHADHM CCOc1ncccc1C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000038727282 966486613 /nfs/dbraw/zinc/48/66/13/966486613.db2.gz PPRGJGKKRZACGX-UHFFFAOYSA-N -1 3 411.483 3.842 20 0 HHADHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1ccc(Br)cc1Cl ZINC000061651446 966521268 /nfs/dbraw/zinc/52/12/68/966521268.db2.gz KKYPTIGCYVBTGZ-UHFFFAOYSA-N -1 3 423.694 3.955 20 0 HHADHM CC[C@](C)(COc1ncccc1Cl)[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000553872450 1013669282 /nfs/dbraw/zinc/66/92/82/1013669282.db2.gz TXVAHKYMJRPBBZ-OAHLLOKOSA-N -1 3 423.844 3.675 20 0 HHADHM CCc1ccccc1NC(=O)[C@H](C)Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000042095185 966715363 /nfs/dbraw/zinc/71/53/63/966715363.db2.gz KKOXOOWUGHVQOO-AWEZNQCLSA-N -1 3 419.510 3.791 20 0 HHADHM Cc1cnn(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)c1 ZINC000063305738 966809354 /nfs/dbraw/zinc/80/93/54/966809354.db2.gz ANZTXSXAWKPFCF-UHFFFAOYSA-N -1 3 412.515 3.638 20 0 HHADHM Cc1cccc(C(C)(C)CNC(=O)N[N-]C(=O)c2ccccc2Br)c1 ZINC000063408964 966847158 /nfs/dbraw/zinc/84/71/58/966847158.db2.gz XZTYDOSRRJQQPO-UHFFFAOYSA-N -1 3 404.308 3.679 20 0 HHADHM COC(=O)c1sc2[n-]c(CN[C@H](C)c3ccc(OC(F)F)cc3)nc(=O)c2c1C ZINC000538119105 1013680916 /nfs/dbraw/zinc/68/09/16/1013680916.db2.gz UQUZOLGIOZDAMP-SNVBAGLBSA-N -1 3 423.441 3.532 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)NCc1ccsc1 ZINC000042971449 966877928 /nfs/dbraw/zinc/87/79/28/966877928.db2.gz HNTFVXZUHOLYRP-UHFFFAOYSA-N -1 3 404.488 3.926 20 0 HHADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000063803355 966963954 /nfs/dbraw/zinc/96/39/54/966963954.db2.gz NJMJTEOXVOYCGL-UHFFFAOYSA-N -1 3 408.907 3.863 20 0 HHADHM Cc1ccc2c(c1)[C@H](NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)CO2 ZINC000542810904 1013689348 /nfs/dbraw/zinc/68/93/48/1013689348.db2.gz OYAAYLAEFITUOR-FGZHOGPDSA-N -1 3 416.477 3.812 20 0 HHADHM O=S(=O)([N-][C@H](CCO)c1ccc(Cl)cc1)c1ccc(F)cc1C(F)(F)F ZINC000553904724 1013690198 /nfs/dbraw/zinc/69/01/98/1013690198.db2.gz BKSLVRPEHDPGAD-CQSZACIVSA-N -1 3 411.804 3.900 20 0 HHADHM Cc1ccccc1S(=O)(=O)[N-]c1ccc(CN2CCN(c3ccccn3)CC2)cc1 ZINC000538131681 1013693384 /nfs/dbraw/zinc/69/33/84/1013693384.db2.gz CCROKEGOSALFLP-UHFFFAOYSA-N -1 3 422.554 3.513 20 0 HHADHM CCN(CC)Cc1ccc(C(=O)[N-]NC(=O)CCc2ccc(-c3ccccc3)[nH]2)o1 ZINC000064049504 967035192 /nfs/dbraw/zinc/03/51/92/967035192.db2.gz KSHKQESFYHTSPK-UHFFFAOYSA-N -1 3 408.502 3.510 20 0 HHADHM Cc1ccc(-c2csc([N-]C(=O)c3ccc(S(=O)(=O)N4CCCC4)o3)n2)cc1 ZINC000043805400 967038364 /nfs/dbraw/zinc/03/83/64/967038364.db2.gz AHWLLSALOXSIOJ-UHFFFAOYSA-N -1 3 417.512 3.748 20 0 HHADHM COc1ccc(Br)c(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)c1 ZINC000064359396 967154558 /nfs/dbraw/zinc/15/45/58/967154558.db2.gz NLQHGQBGJYQPQG-UHFFFAOYSA-N -1 3 414.259 3.769 20 0 HHADHM Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000064374419 967159810 /nfs/dbraw/zinc/15/98/10/967159810.db2.gz OKISDTSLJPWCTR-UHFFFAOYSA-N -1 3 417.444 3.939 20 0 HHADHM COC(=O)CCOc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000064479187 967205256 /nfs/dbraw/zinc/20/52/56/967205256.db2.gz GMUVDDSWVFRZLB-UHFFFAOYSA-N -1 3 421.368 3.587 20 0 HHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2c2ccsc2)ccc1F ZINC000044539048 967233699 /nfs/dbraw/zinc/23/36/99/967233699.db2.gz KZECNKQQKUXDIL-INIZCTEOSA-N -1 3 410.536 3.941 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)Cn2ccc3ccc(Cl)cc32)cc1OC ZINC000064748373 967280706 /nfs/dbraw/zinc/28/07/06/967280706.db2.gz MURAAFSFYKIKPJ-UHFFFAOYSA-N -1 3 421.906 3.704 20 0 HHADHM COc1ccc(CCC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1OC ZINC000064938504 967333172 /nfs/dbraw/zinc/33/31/72/967333172.db2.gz PNCDBCLKYCEZDA-UHFFFAOYSA-N -1 3 404.315 3.922 20 0 HHADHM O=c1[n-]c(SCc2noc(-c3ccsc3)n2)nc2c1cnn2-c1ccccc1 ZINC000045101718 967353685 /nfs/dbraw/zinc/35/36/85/967353685.db2.gz HUIKPPYLHZNJBX-UHFFFAOYSA-N -1 3 408.468 3.513 20 0 HHADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)c2ccc(OCC3CCCCC3)cc2)CC1 ZINC000065054701 967358265 /nfs/dbraw/zinc/35/82/65/967358265.db2.gz KZEKYSHPKNHZSK-UHFFFAOYSA-N -1 3 422.525 3.950 20 0 HHADHM O=C(NNC(=O)c1ccccc1[O-])N[C@@H](c1cc2ccccc2o1)c1ccccc1 ZINC000045322952 967422716 /nfs/dbraw/zinc/42/27/16/967422716.db2.gz FLAWQQINRUZRFI-OAQYLSRUSA-N -1 3 401.422 3.872 20 0 HHADHM Cn1cc(-c2nc(C(=O)[N-]c3n[nH]c(-c4cccc5ccccc54)n3)cs2)cn1 ZINC000065514527 967501731 /nfs/dbraw/zinc/50/17/31/967501731.db2.gz MBAFYHOYJUFGSN-UHFFFAOYSA-N -1 3 401.455 3.734 20 0 HHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3C[C@@H](C)OC(C)(C)C3)c2)cc1 ZINC000065606657 967544309 /nfs/dbraw/zinc/54/43/09/967544309.db2.gz UOFSRKOLEPGFQA-QGZVFWFLSA-N -1 3 416.543 3.744 20 0 HHADHM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1)NC1CC1 ZINC000045866276 967579485 /nfs/dbraw/zinc/57/94/85/967579485.db2.gz DUMOAAVQWGNYIT-UHFFFAOYSA-N -1 3 415.393 3.670 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CSc3nc4ccccc4o3)c2)n1 ZINC000046065727 967651292 /nfs/dbraw/zinc/65/12/92/967651292.db2.gz BGZWTICKOVGGFI-UHFFFAOYSA-N -1 3 406.467 3.871 20 0 HHADHM COc1cc(Cl)c(C)cc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000046124413 967669775 /nfs/dbraw/zinc/66/97/75/967669775.db2.gz UOACTUHQHNECIV-UHFFFAOYSA-N -1 3 414.886 3.735 20 0 HHADHM O=C(NCc1ccc(COCc2ccccc2)cc1)N[N-]C(=O)c1ccccc1F ZINC000046136758 967674553 /nfs/dbraw/zinc/67/45/53/967674553.db2.gz DJSRZXGKGQUPDU-UHFFFAOYSA-N -1 3 407.445 3.687 20 0 HHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H](C)c2cc(F)ccc2F)ccc1F ZINC000046212342 967699622 /nfs/dbraw/zinc/69/96/22/967699622.db2.gz QORIBPBHMOMZOY-LBPRGKRZSA-N -1 3 414.449 3.624 20 0 HHADHM N#Cc1ccc(COC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cc1 ZINC000046451743 967807232 /nfs/dbraw/zinc/80/72/32/967807232.db2.gz WPEFYJIHFSJSIQ-JOCHJYFZSA-N -1 3 400.434 3.868 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)COc3ccccc3F)cc2)cc1 ZINC000046462323 967812318 /nfs/dbraw/zinc/81/23/18/967812318.db2.gz YZZRYEKPOYWWSO-UHFFFAOYSA-N -1 3 414.458 3.952 20 0 HHADHM CN(C)C(=O)c1cccc(CNC(=O)NN=c2[n-]c(Cl)c(Cl)cc2Cl)c1 ZINC000046609185 967879126 /nfs/dbraw/zinc/87/91/26/967879126.db2.gz AZYUBYVGSCZEQL-UHFFFAOYSA-N -1 3 416.696 3.570 20 0 HHADHM C[C@@H](NC(=O)N[N-]C(=O)c1ccccc1F)c1ccc(OCc2cccnc2)cc1 ZINC000046648025 967901931 /nfs/dbraw/zinc/90/19/31/967901931.db2.gz HXFRGAHXQYNVER-OAHLLOKOSA-N -1 3 408.433 3.505 20 0 HHADHM CCCCCOc1ccc([C@H](C)NC(=O)NNC(=O)c2ccccc2[O-])cc1OC ZINC000046827768 967982624 /nfs/dbraw/zinc/98/26/24/967982624.db2.gz REIWJYGURYZHPU-HNNXBMFYSA-N -1 3 415.490 3.675 20 0 HHADHM Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3n[n-]c(-c4ccccn4)n3)cc12 ZINC000047343383 968145855 /nfs/dbraw/zinc/14/58/55/968145855.db2.gz WZCAPXLTYAGKKM-UHFFFAOYSA-N -1 3 401.455 3.828 20 0 HHADHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cccc(OCCn3cncn3)c2)c(C)c1C ZINC000047417375 968183218 /nfs/dbraw/zinc/18/32/18/968183218.db2.gz RHAXPLOIVDOOOC-UHFFFAOYSA-N -1 3 414.531 3.700 20 0 HHADHM Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000047552755 968234951 /nfs/dbraw/zinc/23/49/51/968234951.db2.gz AVRWVVCDDJETOR-UHFFFAOYSA-N -1 3 415.902 3.637 20 0 HHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)OCc2ncc(-c3ccccc3)o2)ccc1F ZINC000047762231 968303500 /nfs/dbraw/zinc/30/35/00/968303500.db2.gz HTPFCFNOICIVTL-UHFFFAOYSA-N -1 3 418.446 3.524 20 0 HHADHM COc1ccc(NC(=O)CS(=O)(=O)[N-]c2ccc(OC(C)C)cc2)cc1Cl ZINC000048244640 968498420 /nfs/dbraw/zinc/49/84/20/968498420.db2.gz BOPJAWYGASDCOS-UHFFFAOYSA-N -1 3 412.895 3.516 20 0 HHADHM Cc1ccc(F)c(NC(=S)N[N-]C(=O)c2ccc(F)cc2Br)c1 ZINC000065703195 968600623 /nfs/dbraw/zinc/60/06/23/968600623.db2.gz HFMGRISFPQQRSC-UHFFFAOYSA-N -1 3 400.248 3.667 20 0 HHADHM CC[C@@H](NC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1)c1ccc(OC)cc1 ZINC000065770703 968635071 /nfs/dbraw/zinc/63/50/71/968635071.db2.gz QROLKCJGHXDHMK-QGZVFWFLSA-N -1 3 421.519 3.738 20 0 HHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000065816488 968659139 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HHADHM CCN(C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)[C@H]1CCOC(C)(C)C1 ZINC000426761385 974640452 /nfs/dbraw/zinc/64/04/52/974640452.db2.gz ADNQZQHZZLJBIZ-LBPRGKRZSA-N -1 3 412.408 3.846 20 0 HHADHM O=C([O-])[C@H](NCc1cn(-c2ccc(F)c(Cl)c2)nn1)C12CC3CC(CC(C3)C1)C2 ZINC000426789318 974660966 /nfs/dbraw/zinc/66/09/66/974660966.db2.gz SUZOTZRWFSFVTR-IURMSMQVSA-N -1 3 418.900 3.819 20 0 HHADHM O=C([O-])[C@H](NCc1cc(Br)c2c(c1)OCCCO2)c1cccc(F)c1 ZINC000426805580 974674352 /nfs/dbraw/zinc/67/43/52/974674352.db2.gz CTCGRGBUNPVWJC-MRXNPFEDSA-N -1 3 410.239 3.665 20 0 HHADHM COc1ccc([C@@H](CC(=O)[O-])NCc2ccc(Br)s2)cc1OC ZINC000426810652 974677212 /nfs/dbraw/zinc/67/72/12/974677212.db2.gz PRZGJKHRMCTPCE-GFCCVEGCSA-N -1 3 400.294 3.833 20 0 HHADHM COc1cc(CN[C@@H](C(=O)[O-])c2ccc(O)cc2)cc(OC)c1OCc1ccccc1 ZINC000426811891 974678505 /nfs/dbraw/zinc/67/85/05/974678505.db2.gz VXAHIIUDNWHFDD-JOCHJYFZSA-N -1 3 423.465 3.904 20 0 HHADHM Cc1cc(CN[C@H](CC(=O)[O-])c2cccc(Br)c2)ccc1-n1cncn1 ZINC000426826596 974691833 /nfs/dbraw/zinc/69/18/33/974691833.db2.gz FNNIIRIMQVRMSI-QGZVFWFLSA-N -1 3 415.291 3.644 20 0 HHADHM COc1ccc([C@@H](NCc2ccc(OCC(F)(F)F)c(OC)c2)C(=O)[O-])cc1F ZINC000426828976 974693837 /nfs/dbraw/zinc/69/38/37/974693837.db2.gz NEOXLNNPQAHKRL-QGZVFWFLSA-N -1 3 417.355 3.700 20 0 HHADHM CC[C@@H](Cc1ccccc1Br)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000427065068 974871070 /nfs/dbraw/zinc/87/10/70/974871070.db2.gz QLMZAPHABDMJDX-AWEZNQCLSA-N -1 3 414.307 3.760 20 0 HHADHM CC[C@@H](Cc1ccccc1Br)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000427065068 974871076 /nfs/dbraw/zinc/87/10/76/974871076.db2.gz QLMZAPHABDMJDX-AWEZNQCLSA-N -1 3 414.307 3.760 20 0 HHADHM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc(N4CCOCC4)cc3C)cc2s1 ZINC000427113068 974914391 /nfs/dbraw/zinc/91/43/91/974914391.db2.gz GRWYDLJKDABVQA-UHFFFAOYSA-N -1 3 403.529 3.551 20 0 HHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1cc2ccccc2n1CC(F)(F)F ZINC000427150699 974942001 /nfs/dbraw/zinc/94/20/01/974942001.db2.gz ABNYFKCKDWDXQK-UHFFFAOYSA-N -1 3 400.364 3.560 20 0 HHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1cc2ccccc2n1CC(F)(F)F ZINC000427150699 974942005 /nfs/dbraw/zinc/94/20/05/974942005.db2.gz ABNYFKCKDWDXQK-UHFFFAOYSA-N -1 3 400.364 3.560 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2cccc(F)c2F)cc1I ZINC000427220320 974986115 /nfs/dbraw/zinc/98/61/15/974986115.db2.gz SYNNFVSMFFOYKK-UHFFFAOYSA-N -1 3 409.195 3.679 20 0 HHADHM O=S(=O)([N-]c1ccnc(N2CCc3ccccc3C2)c1)c1ccc2ncccc2c1 ZINC000427635979 975218871 /nfs/dbraw/zinc/21/88/71/975218871.db2.gz IQJHIXLAZBDOBE-UHFFFAOYSA-N -1 3 416.506 3.993 20 0 HHADHM C[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)CC1(F)F ZINC000427660282 975229370 /nfs/dbraw/zinc/22/93/70/975229370.db2.gz QRVDYTDNXLXXFH-ZDUSSCGKSA-N -1 3 412.433 3.744 20 0 HHADHM CCOC(=O)c1cc(COC)cc(S(=O)(=O)[N-]C2(C(F)(F)F)CCCCC2)c1 ZINC000427784231 975286805 /nfs/dbraw/zinc/28/68/05/975286805.db2.gz NGFZGWLUVPMDIZ-UHFFFAOYSA-N -1 3 423.453 3.553 20 0 HHADHM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1ccccc1OC(F)F)c1ccco1 ZINC000427798573 975295358 /nfs/dbraw/zinc/29/53/58/975295358.db2.gz OGVICPVFNRVCLE-GOSISDBHSA-N -1 3 409.410 3.958 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2-c2c(F)cccc2F)c(C)o1 ZINC000428129569 975464718 /nfs/dbraw/zinc/46/47/18/975464718.db2.gz HBYWDRVLCNMFTC-UHFFFAOYSA-N -1 3 406.410 3.694 20 0 HHADHM C[C@@H](NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1)c1cccc(O)c1 ZINC000429112956 976395879 /nfs/dbraw/zinc/39/58/79/976395879.db2.gz HGUDPBMTKABABD-CYBMUJFWSA-N -1 3 417.893 3.873 20 0 HHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CCC[C@@H](CSC)C3)nc(=O)c2c1C ZINC000429269951 976556720 /nfs/dbraw/zinc/55/67/20/976556720.db2.gz CZSGFULPSIICNO-QWHCGFSZSA-N -1 3 409.577 3.606 20 0 HHADHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C1CCN(CC(F)(F)F)CC1 ZINC000429304775 976579476 /nfs/dbraw/zinc/57/94/76/976579476.db2.gz ATQYHBHJJODOIR-JTQLQIEISA-N -1 3 419.296 3.935 20 0 HHADHM O=S(=O)([N-][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1cc(Cl)ccc1Br ZINC000429826763 977096311 /nfs/dbraw/zinc/09/63/11/977096311.db2.gz GVDKMCIEELDZQU-KCPJHIHWSA-N -1 3 420.756 3.729 20 0 HHADHM O=S(=O)([N-][C@H](CCCO)c1ccccc1)c1cc(Cl)ccc1Br ZINC000429829779 977099794 /nfs/dbraw/zinc/09/97/94/977099794.db2.gz ONJPCFPKSIXREW-OAHLLOKOSA-N -1 3 418.740 3.895 20 0 HHADHM COc1cccc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2Br)c1 ZINC000429867062 977141467 /nfs/dbraw/zinc/14/14/67/977141467.db2.gz BVQOQZWKXBGFPO-UHFFFAOYSA-N -1 3 404.713 3.632 20 0 HHADHM CC[C@@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2Br)n[nH]1 ZINC000429876394 977151607 /nfs/dbraw/zinc/15/16/07/977151607.db2.gz HBGLIIHCYUQDLL-RKDXNWHRSA-N -1 3 421.748 3.774 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)NC[C@@H](CO)Cc1ccc(Br)cc1 ZINC000430148080 977349013 /nfs/dbraw/zinc/34/90/13/977349013.db2.gz QJIQVRGUKCABMY-INIZCTEOSA-N -1 3 424.310 3.584 20 0 HHADHM Cc1ccc(C)c(CN(C)C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)c1 ZINC000430196007 977385308 /nfs/dbraw/zinc/38/53/08/977385308.db2.gz KMQHENOZTAOVFU-UHFFFAOYSA-N -1 3 415.490 3.844 20 0 HHADHM O=C(Nc1cc(Br)ccc1[O-])c1cnc(OCc2ccccc2)cn1 ZINC000430264706 977432427 /nfs/dbraw/zinc/43/24/27/977432427.db2.gz SIAPTOXISMXIOV-UHFFFAOYSA-N -1 3 400.232 3.776 20 0 HHADHM CSC[C@@H]1CCCN1C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430586912 977645308 /nfs/dbraw/zinc/64/53/08/977645308.db2.gz XQDHIEBIMXCNRQ-JTQLQIEISA-N -1 3 415.740 3.912 20 0 HHADHM O=C(Nc1ccc2c(c1)C(=O)NC2)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430623005 977658197 /nfs/dbraw/zinc/65/81/97/977658197.db2.gz GOSRVKDXUBPHRZ-UHFFFAOYSA-N -1 3 411.417 3.816 20 0 HHADHM O=C(Nc1cc(-c2cccnc2)[nH]n1)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430628529 977659801 /nfs/dbraw/zinc/65/98/01/977659801.db2.gz NJDBCUZULCDWTR-UHFFFAOYSA-N -1 3 423.432 4.358 20 0 HHADHM CC(C)OCCCN(C)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430664921 977676019 /nfs/dbraw/zinc/67/60/19/977676019.db2.gz MCSLXWAWMXZERP-UHFFFAOYSA-N -1 3 415.715 3.831 20 0 HHADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)cc1Br ZINC000431159754 978060521 /nfs/dbraw/zinc/06/05/21/978060521.db2.gz QSSJGFVOWXCEON-UHFFFAOYSA-N -1 3 423.210 3.626 20 0 HHADHM CCCc1c(NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cnn1-c1ccc(C)cc1 ZINC000431556983 978358680 /nfs/dbraw/zinc/35/86/80/978358680.db2.gz MTBHUHJHDPCUCN-UHFFFAOYSA-N -1 3 403.442 3.661 20 0 HHADHM COc1cc(Br)cc(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)F)c1 ZINC000431632460 978397215 /nfs/dbraw/zinc/39/72/15/978397215.db2.gz AGOVWXLHGKQWDG-CQSZACIVSA-N -1 3 406.248 3.742 20 0 HHADHM N[C@](C(=O)Nc1cc(Br)ccc1[O-])(c1cccc(F)c1)C(F)(F)F ZINC000431863889 978558555 /nfs/dbraw/zinc/55/85/55/978558555.db2.gz UIWYVPUINYSZOY-AWEZNQCLSA-N -1 3 407.161 3.649 20 0 HHADHM O=S(=O)([N-][C@H](c1ccccc1)C1(CO)CCC1)c1ccc(Br)s1 ZINC000432280156 978741489 /nfs/dbraw/zinc/74/14/89/978741489.db2.gz NMUPZYAUZNOJIK-OAHLLOKOSA-N -1 3 416.362 3.693 20 0 HHADHM CN(C)[C@@H]1CCOc2c([N-]S(=O)(=O)c3ccc(Br)cc3)cccc21 ZINC000432481098 978839099 /nfs/dbraw/zinc/83/90/99/978839099.db2.gz VNSXJEMIRVLYMU-MRXNPFEDSA-N -1 3 411.321 3.635 20 0 HHADHM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc3c2OCC[C@@H]3N(C)C)cc1 ZINC000432498301 978850416 /nfs/dbraw/zinc/85/04/16/978850416.db2.gz XBMIQOCPXJRAGT-IBGZPJMESA-N -1 3 402.516 3.711 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNc3ncnc4sc(C)c(C)c43)c2)[n-]1 ZINC000432513722 978857849 /nfs/dbraw/zinc/85/78/49/978857849.db2.gz CKJOKBUSHMYGGM-UHFFFAOYSA-N -1 3 408.487 3.882 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNc3ncnc4sc(C)c(C)c43)c2)n[n-]1 ZINC000432513722 978857857 /nfs/dbraw/zinc/85/78/57/978857857.db2.gz CKJOKBUSHMYGGM-UHFFFAOYSA-N -1 3 408.487 3.882 20 0 HHADHM CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)c1C ZINC000432625843 978915003 /nfs/dbraw/zinc/91/50/03/978915003.db2.gz DBNLSNWIEVLFRL-UHFFFAOYSA-N -1 3 413.446 3.581 20 0 HHADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(Br)c(C)c2F)ccc1F ZINC000432643199 978923114 /nfs/dbraw/zinc/92/31/14/978923114.db2.gz IYTMZHQDGVVENP-UHFFFAOYSA-N -1 3 419.247 3.795 20 0 HHADHM COC(=O)c1cnc(SCC(=O)c2cc(C)n(CCc3ccc(F)cc3)c2C)[n-]1 ZINC000432662688 978928195 /nfs/dbraw/zinc/92/81/95/978928195.db2.gz ZZNKGJUZHJLSNZ-UHFFFAOYSA-N -1 3 415.490 3.971 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)NCc3cc(Br)ccn3)cc2)cc(=O)[n-]1 ZINC000432685400 978936343 /nfs/dbraw/zinc/93/63/43/978936343.db2.gz OJEGSGNUDWDGOP-UHFFFAOYSA-N -1 3 414.263 3.637 20 0 HHADHM CN(C)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCc3ccccc3)cc2)cc1 ZINC000432766443 978966476 /nfs/dbraw/zinc/96/64/76/978966476.db2.gz HNLMKCBJUSRSPZ-UHFFFAOYSA-N -1 3 423.538 3.526 20 0 HHADHM C[C@H]1CCCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(N(C)C)cc2)cc1 ZINC000432770174 978968788 /nfs/dbraw/zinc/96/87/88/978968788.db2.gz ROPRCVFGHFNFIH-INIZCTEOSA-N -1 3 401.532 3.568 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C)c(C(=O)NC(C)C)c2)cc1Cl ZINC000432777267 978971160 /nfs/dbraw/zinc/97/11/60/978971160.db2.gz AGNOOZCAHOGBAA-UHFFFAOYSA-N -1 3 410.923 3.904 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C)c(S(C)(=O)=O)c2)cc1C(C)C ZINC000432779129 978971903 /nfs/dbraw/zinc/97/19/03/978971903.db2.gz JJIDFHSDWHGGKN-UHFFFAOYSA-N -1 3 411.545 3.640 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc([C@@H]3CNC(=O)C3)c2)cc1C(C)C ZINC000432778485 978972138 /nfs/dbraw/zinc/97/21/38/978972138.db2.gz YSSLCPIENDAPPK-INIZCTEOSA-N -1 3 402.516 3.531 20 0 HHADHM COc1cccc(C(=O)CCCC(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)c1 ZINC000432889271 979001909 /nfs/dbraw/zinc/00/19/09/979001909.db2.gz GJCYHGNTLKMMNF-UHFFFAOYSA-N -1 3 405.454 3.746 20 0 HHADHM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-][C@@H](c1cc(F)ccc1F)C(F)F ZINC000432965468 979027500 /nfs/dbraw/zinc/02/75/00/979027500.db2.gz GNWIQUABAYCKSG-HNNXBMFYSA-N -1 3 407.433 3.719 20 0 HHADHM CCOCc1cccc(NC(=O)NCc2cccc(-c3nnc(C(=O)OCC)[n-]3)c2)c1 ZINC000433221477 979155537 /nfs/dbraw/zinc/15/55/37/979155537.db2.gz PSIKPLSJIBNQBJ-UHFFFAOYSA-N -1 3 423.473 3.507 20 0 HHADHM CCOCc1cccc(NC(=O)NCc2cccc(-c3n[n-]c(C(=O)OCC)n3)c2)c1 ZINC000433221477 979155543 /nfs/dbraw/zinc/15/55/43/979155543.db2.gz PSIKPLSJIBNQBJ-UHFFFAOYSA-N -1 3 423.473 3.507 20 0 HHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc(Sc4nncn4C)cc3)c[n-]c12 ZINC000433226092 979160052 /nfs/dbraw/zinc/16/00/52/979160052.db2.gz FLLLIBQNZUQGKK-UHFFFAOYSA-N -1 3 409.446 3.508 20 0 HHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2noc(-c3ccccc3F)n2)c1Cl ZINC000433474425 979324825 /nfs/dbraw/zinc/32/48/25/979324825.db2.gz JBRMYPDLXLAIMF-UHFFFAOYSA-N -1 3 416.261 3.969 20 0 HHADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCOc3ccc(F)cc32)sc1Br ZINC000433831960 979611016 /nfs/dbraw/zinc/61/10/16/979611016.db2.gz PPZBESLSBFZARK-LLVKDONJSA-N -1 3 406.298 3.760 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccccc2Oc2ccccc2)c(C)o1 ZINC000433944158 979703229 /nfs/dbraw/zinc/70/32/29/979703229.db2.gz XVUMKZXRHHCFSA-CQSZACIVSA-N -1 3 414.483 3.779 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](CC2CCCCC2)c2ccccc2)c(C)o1 ZINC000433950602 979709088 /nfs/dbraw/zinc/70/90/88/979709088.db2.gz YDSZSXFYERBVGC-LJQANCHMSA-N -1 3 404.532 3.938 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)N[C@H](c3ccccc3)C3CC3)c2)[n-]1 ZINC000433991618 979740500 /nfs/dbraw/zinc/74/05/00/979740500.db2.gz XHAPGVSFIFXWRK-LJQANCHMSA-N -1 3 419.485 3.599 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)N[C@H](c3ccccc3)C3CC3)c2)n[n-]1 ZINC000433991618 979740509 /nfs/dbraw/zinc/74/05/09/979740509.db2.gz XHAPGVSFIFXWRK-LJQANCHMSA-N -1 3 419.485 3.599 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](c2ccsc2)c2ccc(Cl)cc2)c(C)o1 ZINC000434090904 979838853 /nfs/dbraw/zinc/83/88/53/979838853.db2.gz IVSOBDKTGVWRSF-QGZVFWFLSA-N -1 3 424.931 3.730 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)N(Cc2ccccc2)[C@@H](C)c2cccs2)c(C)o1 ZINC000434097617 979848075 /nfs/dbraw/zinc/84/80/75/979848075.db2.gz KGEGISATAULHBT-AWEZNQCLSA-N -1 3 418.540 3.961 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)c(C)o1 ZINC000434202904 979969459 /nfs/dbraw/zinc/96/94/59/979969459.db2.gz LBFSPCHYCBFVGL-OAHLLOKOSA-N -1 3 417.314 3.780 20 0 HHADHM CCn1c2ccccc2c2cc(NC(=O)c3cc(S(=O)(=O)[N-]C)oc3C)ccc21 ZINC000434217128 979987132 /nfs/dbraw/zinc/98/71/32/979987132.db2.gz PNOBUISOXUEPDH-UHFFFAOYSA-N -1 3 411.483 3.876 20 0 HHADHM COC(=O)[C@@H]1CC[C@@H](c2ccccc2)N1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000434795587 980403161 /nfs/dbraw/zinc/40/31/61/980403161.db2.gz QWBGZGXVYHMGBG-IRXDYDNUSA-N -1 3 403.438 3.960 20 0 HHADHM CC(C)c1nn(C)cc1NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000435075959 980619052 /nfs/dbraw/zinc/61/90/52/980619052.db2.gz RXVGQLRUKMOJPX-UHFFFAOYSA-N -1 3 419.913 3.785 20 0 HHADHM Cc1csc(CCCC[N-]S(=O)(=O)c2cc(F)ccc2Br)n1 ZINC000435219433 980729193 /nfs/dbraw/zinc/72/91/93/980729193.db2.gz DHOADQPFTMGCNY-UHFFFAOYSA-N -1 3 407.330 3.654 20 0 HHADHM O=S(=O)([N-]CCc1ccc2ccccc2n1)c1cc(F)ccc1Br ZINC000435220708 980730271 /nfs/dbraw/zinc/73/02/71/980730271.db2.gz RNRTUVWFMFJEOF-UHFFFAOYSA-N -1 3 409.280 3.657 20 0 HHADHM CN1CC[C@H]([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)[C@@H]1c1ccccc1 ZINC000435429588 980857988 /nfs/dbraw/zinc/85/79/88/980857988.db2.gz YBJFIYATUVSMPH-HOTGVXAUSA-N -1 3 403.306 3.856 20 0 HHADHM COc1cc(OC)c(C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)c(OC)c1 ZINC000435441532 980864448 /nfs/dbraw/zinc/86/44/48/980864448.db2.gz CMIQUZWMPVJGST-UHFFFAOYSA-N -1 3 424.277 3.637 20 0 HHADHM Cc1cccc(N2CCC([N-]S(=O)(=O)c3c(Cl)cc(F)cc3Cl)CC2)n1 ZINC000435446199 980867321 /nfs/dbraw/zinc/86/73/21/980867321.db2.gz YWCSDMLDSMIXNG-UHFFFAOYSA-N -1 3 418.321 3.783 20 0 HHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCOC[C@@H]2C)cc1 ZINC000435553440 980938267 /nfs/dbraw/zinc/93/82/67/980938267.db2.gz FKCVBNAKCSQLCF-QFBILLFUSA-N -1 3 402.516 3.715 20 0 HHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)c1ccc(Br)s1 ZINC000435582551 980949753 /nfs/dbraw/zinc/94/97/53/980949753.db2.gz DXNGYBCSGLYHBP-OIBJUYFYSA-N -1 3 412.252 3.762 20 0 HHADHM O=S(=O)([N-][C@H]1C[C@@H]1c1ccccc1OC(F)F)c1cnccc1C(F)(F)F ZINC000435599293 980956344 /nfs/dbraw/zinc/95/63/44/980956344.db2.gz SKHLJFSQBDHBQG-PWSUYJOCSA-N -1 3 408.348 3.536 20 0 HHADHM Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CS(=O)(=O)c1nnc(C(C)(C)C)[n-]1 ZINC000435876846 981073538 /nfs/dbraw/zinc/07/35/38/981073538.db2.gz KUWPQRCNTFRYJH-UHFFFAOYSA-N -1 3 421.954 3.591 20 0 HHADHM O=C(Nc1cccc(C[S@](=O)C2CCCCC2)c1)c1cc(F)cc2n[n-]nc21 ZINC000435925202 981095857 /nfs/dbraw/zinc/09/58/57/981095857.db2.gz DAQSRYXATKDCTI-NDEPHWFRSA-N -1 3 400.479 3.931 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC[C@](C)(c3ccc(F)cc3)C2)c1 ZINC000435957277 981112938 /nfs/dbraw/zinc/11/29/38/981112938.db2.gz JCYAFITXCSGSNU-QHCPKHFHSA-N -1 3 423.444 3.884 20 0 HHADHM O=C(NC[C@@H]1CCC(F)(F)C1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000435962923 981116856 /nfs/dbraw/zinc/11/68/56/981116856.db2.gz UEGWZSCZUMHHQN-CYBMUJFWSA-N -1 3 412.433 3.792 20 0 HHADHM C[C@H]1[C@@H](c2ccccc2)c2ccccc2CCN1C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000435980870 981129512 /nfs/dbraw/zinc/12/95/12/981129512.db2.gz UJUSVCIGRNICEG-HJPURHCSSA-N -1 3 410.473 3.789 20 0 HHADHM Cc1cc(Br)cc(Cl)c1[N-]S(=O)(=O)c1cccc2c1OCCO2 ZINC000436011789 981153675 /nfs/dbraw/zinc/15/36/75/981153675.db2.gz DZMHONVTCTXHPO-UHFFFAOYSA-N -1 3 418.696 3.983 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CC(C)=C[C@H](C)C3)c2)cc1 ZINC000436013053 981154323 /nfs/dbraw/zinc/15/43/23/981154323.db2.gz LDUIDUKFEHNUDE-HNNXBMFYSA-N -1 3 414.527 3.843 20 0 HHADHM COC(=O)c1sc2[n-]c(CN3CCC[C@@H](Cc4ccccc4)C3)nc(=O)c2c1C ZINC000436128394 981211584 /nfs/dbraw/zinc/21/15/84/981211584.db2.gz GGMSJNAQISTBEN-INIZCTEOSA-N -1 3 411.527 3.534 20 0 HHADHM Cc1nn2cc(S(=O)(=O)[N-]c3ccc(OC(C)C)cc3Cl)cnc2c1Cl ZINC000436159557 981227073 /nfs/dbraw/zinc/22/70/73/981227073.db2.gz YVEDDPFHKVTHMU-UHFFFAOYSA-N -1 3 415.302 3.933 20 0 HHADHM O=C(N[C@H](CC(=O)N1CCCC[C@H]1C(F)F)c1ccccc1)c1ccc([O-])cc1 ZINC000436492986 981399400 /nfs/dbraw/zinc/39/94/00/981399400.db2.gz KMYOGRZUKRLBLN-MOPGFXCFSA-N -1 3 402.441 3.900 20 0 HHADHM O=C(c1cc(Br)ccc1[O-])N1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000436523338 981415891 /nfs/dbraw/zinc/41/58/91/981415891.db2.gz ALAWGXOCSQSMFV-HNNXBMFYSA-N -1 3 413.275 3.917 20 0 HHADHM CCOc1cc(/C=C/c2nccc(-c3cnn(C)c3)n2)cc(Br)c1[O-] ZINC000436522757 981415949 /nfs/dbraw/zinc/41/59/49/981415949.db2.gz NTXYAYYFDHHXLE-SNAWJCMRSA-N -1 3 401.264 3.914 20 0 HHADHM C[S@](=O)c1cccc(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC000436529563 981421741 /nfs/dbraw/zinc/42/17/41/981421741.db2.gz SCNZRLJXHKEBPU-DFXYEROKSA-N -1 3 422.506 3.630 20 0 HHADHM CC(C)c1nnc(CNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)s1 ZINC000436529371 981421752 /nfs/dbraw/zinc/42/17/52/981421752.db2.gz QYPOYPCPAULQHW-SFHVURJKSA-N -1 3 424.526 3.545 20 0 HHADHM COC(=O)c1occc1CN(C(=O)c1ccc(OC)cc1[O-])[C@@H](C)c1ccccn1 ZINC000436531574 981423526 /nfs/dbraw/zinc/42/35/26/981423526.db2.gz DDHOUXIEILTZNQ-AWEZNQCLSA-N -1 3 410.426 3.579 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CC[C@H](C2CCOCC2)C1 ZINC000436540516 981430308 /nfs/dbraw/zinc/43/03/08/981430308.db2.gz ZMGUSNNUZWOONM-GMAHTHKFSA-N -1 3 422.525 3.529 20 0 HHADHM O=C(Nc1ccc(C(=O)N2CCc3ccccc32)cc1)c1cc2c(cc1[O-])OCO2 ZINC000436542850 981432057 /nfs/dbraw/zinc/43/20/57/981432057.db2.gz IZAGCUHXIXPOEG-UHFFFAOYSA-N -1 3 402.406 3.576 20 0 HHADHM CCC[C@H](NC(=O)c1ccc(OC)cc1[O-])C(=O)Nc1cccc(N2CCCC2)c1 ZINC000436543940 981432542 /nfs/dbraw/zinc/43/25/42/981432542.db2.gz NKVOHVIBEUNULA-FQEVSTJZSA-N -1 3 411.502 3.538 20 0 HHADHM CCOc1cc(-c2nc3cc(S(=O)(=O)N(C)C)ccc3n2CC)cc(Cl)c1[O-] ZINC000436553335 981438735 /nfs/dbraw/zinc/43/87/35/981438735.db2.gz BHPAEJAJIOZYKG-UHFFFAOYSA-N -1 3 423.922 3.731 20 0 HHADHM CCCCn1c(-c2cc(Cl)c([O-])c(OCC)c2)nc2c1c(=O)[nH]c(=O)n2CCC ZINC000436555844 981440990 /nfs/dbraw/zinc/44/09/90/981440990.db2.gz JOUGMDLVOAEAJJ-UHFFFAOYSA-N -1 3 420.897 3.933 20 0 HHADHM C[C@H](CNc1ccccc1)NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436555369 981441170 /nfs/dbraw/zinc/44/11/70/981441170.db2.gz IHUZSBJJZUWVLY-JPYJTQIMSA-N -1 3 417.509 3.870 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCc2ccc(F)cc2C1 ZINC000436559433 981443940 /nfs/dbraw/zinc/44/39/40/981443940.db2.gz VYDVQAFIJXXDBU-HSZRJFAPSA-N -1 3 418.468 3.977 20 0 HHADHM CC(C)Oc1ccc(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1Cl ZINC000436563019 981446271 /nfs/dbraw/zinc/44/62/71/981446271.db2.gz MAFBUJFGRCXSAK-UHFFFAOYSA-N -1 3 417.893 3.823 20 0 HHADHM CC(C)N(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cc2c(cc1[O-])OCO2 ZINC000436563405 981447052 /nfs/dbraw/zinc/44/70/52/981447052.db2.gz MWBVOVXJOJBIEY-UHFFFAOYSA-N -1 3 424.375 3.629 20 0 HHADHM O=C(CCSc1cccc(Cl)c1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436565587 981447872 /nfs/dbraw/zinc/44/78/72/981447872.db2.gz NQUAKRQIYGUAKK-UHFFFAOYSA-N -1 3 404.919 3.512 20 0 HHADHM C[C@@H](NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1cccc(C(F)(F)F)c1 ZINC000436565158 981447975 /nfs/dbraw/zinc/44/79/75/981447975.db2.gz SHTCLKPIMRQGCP-CQSZACIVSA-N -1 3 421.419 3.640 20 0 HHADHM COc1ccc(C(=O)N2CCC[C@H]2c2ccc(I)cc2)c([O-])c1 ZINC000436579288 981457268 /nfs/dbraw/zinc/45/72/68/981457268.db2.gz YQYGSOBBOKDAPV-INIZCTEOSA-N -1 3 423.250 3.983 20 0 HHADHM COc1ccc(C(=O)N[C@@H](C)c2nc(-c3ccc(Br)cc3)no2)c([O-])c1 ZINC000436585864 981460829 /nfs/dbraw/zinc/46/08/29/981460829.db2.gz RJPCKZRBDMQJNO-JTQLQIEISA-N -1 3 418.247 3.704 20 0 HHADHM CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436609702 981472843 /nfs/dbraw/zinc/47/28/43/981472843.db2.gz VZZPQOSXNOPDQP-KRWDZBQOSA-N -1 3 407.297 3.962 20 0 HHADHM COc1ccc(OC)c(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC000436609993 981472860 /nfs/dbraw/zinc/47/28/60/981472860.db2.gz WVMKFMWYQGBRCS-HXUWFJFHSA-N -1 3 420.465 3.909 20 0 HHADHM O=C(Nc1ccc(Br)cc1F)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436610731 981473392 /nfs/dbraw/zinc/47/33/92/981473392.db2.gz UVILSDOPMANNSS-HNNXBMFYSA-N -1 3 407.239 3.537 20 0 HHADHM CC1(C)C[C@@H](NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c2ccc(F)cc2O1 ZINC000436622169 981479659 /nfs/dbraw/zinc/47/96/59/981479659.db2.gz CTWVKNCOVCUTKL-MSOLQXFVSA-N -1 3 412.461 3.555 20 0 HHADHM C[C@@]1(CCc2ccccc2)CCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000436624649 981481052 /nfs/dbraw/zinc/48/10/52/981481052.db2.gz KMAXQMPWWVMRAC-PXDATVDWSA-N -1 3 406.526 3.868 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCC[C@@H]1[C@H]1CCCC1=O ZINC000436627385 981482026 /nfs/dbraw/zinc/48/20/26/981482026.db2.gz VVIRFUUFBNEHJT-YPAWHYETSA-N -1 3 420.509 3.614 20 0 HHADHM C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])c1cccc(OC(F)(F)F)c1 ZINC000436628193 981482608 /nfs/dbraw/zinc/48/26/08/981482608.db2.gz XJYGTKXQKKZUDC-SUMWQHHRSA-N -1 3 422.403 3.773 20 0 HHADHM Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])ccc1OCC(F)(F)F ZINC000436628261 981482689 /nfs/dbraw/zinc/48/26/89/981482689.db2.gz XXGJIUWMMBKOIW-INIZCTEOSA-N -1 3 422.403 3.885 20 0 HHADHM Cc1ccc(C[C@H](NC(=O)CCNC(=O)c2ccc(C)cc2[O-])c2ccccn2)cc1 ZINC000436635688 981485689 /nfs/dbraw/zinc/48/56/89/981485689.db2.gz VJECNCFOHPGVFD-QFIPXVFZSA-N -1 3 417.509 3.624 20 0 HHADHM CCc1ccc(O)c(NC(=O)Cc2csc(NC(=O)c3cc(C)ccc3[O-])n2)c1 ZINC000436639394 981488404 /nfs/dbraw/zinc/48/84/04/981488404.db2.gz OVUMEOMXGQBKPF-UHFFFAOYSA-N -1 3 411.483 3.859 20 0 HHADHM O=C(NC1CCN(CCOc2ccc(Cl)cc2)CC1)c1ccc([O-])c(Cl)c1 ZINC000436640420 981488835 /nfs/dbraw/zinc/48/88/35/981488835.db2.gz WJQPYXCQVZYYHB-UHFFFAOYSA-N -1 3 409.313 3.972 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)N[C@H](c2c[nH]c3ccccc32)C(F)(F)F)c([O-])c1 ZINC000436658219 981495859 /nfs/dbraw/zinc/49/58/59/981495859.db2.gz YSIRNATUMAIDMJ-LJQANCHMSA-N -1 3 419.403 3.722 20 0 HHADHM CN(C(=O)c1cc(F)ccc1[O-])[C@H]1CCCC[C@@H]1N(C)C(=O)c1cc(F)ccc1O ZINC000436663091 981499079 /nfs/dbraw/zinc/49/90/79/981499079.db2.gz KNBADDFYEAYDTK-ROUUACIJSA-N -1 3 418.440 3.531 20 0 HHADHM CC[C@@H](NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-])c1nc(C)cs1 ZINC000436663192 981499252 /nfs/dbraw/zinc/49/92/52/981499252.db2.gz FUNLRHSYOJPPHG-OAHLLOKOSA-N -1 3 400.460 3.587 20 0 HHADHM Cc1csc([C@H](NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])C2CC2)n1 ZINC000436667854 981500640 /nfs/dbraw/zinc/50/06/40/981500640.db2.gz ZRFDUIPUURFMBK-QGZVFWFLSA-N -1 3 412.471 3.587 20 0 HHADHM CCCCn1ncc(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c1C(C)C ZINC000436668685 981501319 /nfs/dbraw/zinc/50/13/19/981501319.db2.gz YZVIWBWXBVQMOQ-UHFFFAOYSA-N -1 3 413.522 3.502 20 0 HHADHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CC[C@@](F)(c2cccc(Cl)c2)C1 ZINC000436668428 981501378 /nfs/dbraw/zinc/50/13/78/981501378.db2.gz WSRGIWVXFZOLAA-AVRDEDQJSA-N -1 3 416.880 3.748 20 0 HHADHM COc1ccc([C@H](NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])C2CC2)cc1 ZINC000436671074 981503175 /nfs/dbraw/zinc/50/31/75/981503175.db2.gz IZIDFONKDZUKHF-OAQYLSRUSA-N -1 3 421.453 3.831 20 0 HHADHM COCC[C@@H](NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1)C(C)(C)C ZINC000436671858 981503948 /nfs/dbraw/zinc/50/39/48/981503948.db2.gz BAVBEZRVYJRMBE-QGZVFWFLSA-N -1 3 419.547 3.519 20 0 HHADHM CC(C)c1ccc(C(=O)N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)c([O-])c1 ZINC000436675205 981506159 /nfs/dbraw/zinc/50/61/59/981506159.db2.gz VDXGJMMXXJXQAN-UHFFFAOYSA-N -1 3 416.905 3.532 20 0 HHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCN(CC(F)(F)C(F)F)CC1 ZINC000436676350 981506952 /nfs/dbraw/zinc/50/69/52/981506952.db2.gz ONSCPDUIFWSDBR-UHFFFAOYSA-N -1 3 424.438 3.836 20 0 HHADHM CC(C)Oc1ccc(CC[C@H](C)NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000436676934 981506963 /nfs/dbraw/zinc/50/69/63/981506963.db2.gz AVBYHWPFHUFOPE-PGRDOPGGSA-N -1 3 424.541 3.922 20 0 HHADHM C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000436680072 981508307 /nfs/dbraw/zinc/50/83/07/981508307.db2.gz IPFCJWWTAQOJAG-LLVKDONJSA-N -1 3 413.326 3.726 20 0 HHADHM CCS[C@H]1CCC[C@H](NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])C1 ZINC000436681122 981508851 /nfs/dbraw/zinc/50/88/51/981508851.db2.gz PQDHYYCYPNRZMU-ZFWWWQNUSA-N -1 3 403.504 3.735 20 0 HHADHM Cc1ccc(C(=O)NCCc2nc(COc3ccc4ccccc4c3)no2)c([O-])c1 ZINC000436687398 981512588 /nfs/dbraw/zinc/51/25/88/981512588.db2.gz IHGYWWLDTJVSTR-UHFFFAOYSA-N -1 3 403.438 3.788 20 0 HHADHM COc1cc(-c2nc(-c3ccc(C(=O)N4CCC[C@@H]4C)cc3)no2)cc(OC)c1[O-] ZINC000436689768 981514083 /nfs/dbraw/zinc/51/40/83/981514083.db2.gz OGSIOUGYDZMGMG-ZDUSSCGKSA-N -1 3 409.442 3.751 20 0 HHADHM Cc1ccc(OCc2nc(CN3CCN(C(=O)c4ccc([O-])cc4)CC3)cs2)cc1 ZINC000436694210 981517316 /nfs/dbraw/zinc/51/73/16/981517316.db2.gz HJAOGOJEHOCHCD-UHFFFAOYSA-N -1 3 423.538 3.694 20 0 HHADHM CCSc1ccc([C@@H](C)NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000436698549 981519133 /nfs/dbraw/zinc/51/91/33/981519133.db2.gz QANSVIUSUXHGTI-MRXNPFEDSA-N -1 3 413.543 3.733 20 0 HHADHM O=C(Nc1ncc(-c2ccccc2F)s1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436717696 981528824 /nfs/dbraw/zinc/52/88/24/981528824.db2.gz UTVNUWPQEUKQBQ-INIZCTEOSA-N -1 3 411.458 3.898 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCC2(CCOCC2)CC1 ZINC000436722246 981531321 /nfs/dbraw/zinc/53/13/21/981531321.db2.gz LTGMAIFYDXOZTH-JOCHJYFZSA-N -1 3 422.525 3.673 20 0 HHADHM Cc1csc(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c1Br ZINC000436729555 981534625 /nfs/dbraw/zinc/53/46/25/981534625.db2.gz RUODWMUEBDDJKP-UHFFFAOYSA-N -1 3 423.332 3.559 20 0 HHADHM C[C@@H](CC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(C(F)(F)F)cc1 ZINC000436731188 981536023 /nfs/dbraw/zinc/53/60/23/981536023.db2.gz ZWVHDOCFYQZULH-HNNXBMFYSA-N -1 3 420.431 3.889 20 0 HHADHM CCCCOc1ccc(C(=O)N[C@H](C)c2ccc(S(=O)(=O)CC)cc2)c([O-])c1 ZINC000436735187 981537622 /nfs/dbraw/zinc/53/76/22/981537622.db2.gz LVERZFHOPCHFLD-OAHLLOKOSA-N -1 3 405.516 3.856 20 0 HHADHM CCC[C@@H](CCc1ccccc1)NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436736525 981538210 /nfs/dbraw/zinc/53/82/10/981538210.db2.gz IWPMMBULKOCBIZ-NRFANRHFSA-N -1 3 409.530 3.661 20 0 HHADHM CCN(CC)CC(=O)Nc1cccc(NC(=O)c2cc(Br)ccc2[O-])c1 ZINC000436740447 981539991 /nfs/dbraw/zinc/53/99/91/981539991.db2.gz QLJHHCLAJOGJRB-UHFFFAOYSA-N -1 3 420.307 3.687 20 0 HHADHM O=C(c1ccccc1)N1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000436747244 981543337 /nfs/dbraw/zinc/54/33/37/981543337.db2.gz LYENAJBEYVFJCR-UHFFFAOYSA-N -1 3 402.450 3.783 20 0 HHADHM Cn1c(=O)c2c3c(sc2nc1SCc1noc(-c2ccccc2[O-])n1)CCC3 ZINC000436778326 981557643 /nfs/dbraw/zinc/55/76/43/981557643.db2.gz QQZYYTVANWGYLG-UHFFFAOYSA-N -1 3 412.496 3.532 20 0 HHADHM CCCOc1ccc(CNC(=O)c2cc(NC(C)=O)ccc2[O-])c(OC(F)F)c1 ZINC000436793082 981564206 /nfs/dbraw/zinc/56/42/06/981564206.db2.gz YTYWSGIKHLJAME-UHFFFAOYSA-N -1 3 408.401 3.671 20 0 HHADHM CCOc1cn(-c2ccccc2)nc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000436795886 981565578 /nfs/dbraw/zinc/56/55/78/981565578.db2.gz GRDHVLNAYFCKMN-UHFFFAOYSA-N -1 3 402.248 3.991 20 0 HHADHM O=C(CC(F)(F)F)N1CCC(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000436796706 981566461 /nfs/dbraw/zinc/56/64/61/981566461.db2.gz XEVGIAOKCHWRKR-UHFFFAOYSA-N -1 3 420.431 3.656 20 0 HHADHM Cc1cc(=O)c(C(=O)Nc2cc(F)ccc2[O-])nn1-c1ccccc1C(F)(F)F ZINC000436801609 981568138 /nfs/dbraw/zinc/56/81/38/981568138.db2.gz UHGLRLMSDBSEAL-UHFFFAOYSA-N -1 3 407.323 3.657 20 0 HHADHM Cc1cccc(C(=O)Nc2cc(Br)cc(C(=O)N3CCCC3)c2)c1[O-] ZINC000436806189 981570274 /nfs/dbraw/zinc/57/02/74/981570274.db2.gz GWUQHMAWBBRQBE-UHFFFAOYSA-N -1 3 403.276 3.951 20 0 HHADHM C[C@]1(CNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCO[C@@H]1C1CC1 ZINC000436819302 981576006 /nfs/dbraw/zinc/57/60/06/981576006.db2.gz XWYWUOMQOGCEAP-GZGNHOFSSA-N -1 3 422.525 3.575 20 0 HHADHM CC(C)[C@H](NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C(F)(F)F ZINC000436824675 981577948 /nfs/dbraw/zinc/57/79/48/981577948.db2.gz AGILICANLLEYBP-HKUYNNGSSA-N -1 3 408.420 3.957 20 0 HHADHM CC(C)c1ccc(CCCNC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000436829674 981579825 /nfs/dbraw/zinc/57/98/25/981579825.db2.gz BGKABRYOQNBGJX-UHFFFAOYSA-N -1 3 409.530 3.616 20 0 HHADHM CCOC(=O)C1CCN(C(=O)c2ccc(NC(=O)c3ccc(CC)cc3[O-])cc2)CC1 ZINC000436833058 981581568 /nfs/dbraw/zinc/58/15/68/981581568.db2.gz KTKCUONGNCZQSF-UHFFFAOYSA-N -1 3 424.497 3.622 20 0 HHADHM O=C(CCSc1ccc(Cl)cc1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436836075 981582998 /nfs/dbraw/zinc/58/29/98/981582998.db2.gz BXFRFDKUMFTEBS-UHFFFAOYSA-N -1 3 404.919 3.512 20 0 HHADHM O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCCCO1)c1cc2c(cc1[O-])OCO2 ZINC000436836861 981583547 /nfs/dbraw/zinc/58/35/47/981583547.db2.gz FTSWZKGSXNLOQE-ZDUSSCGKSA-N -1 3 405.834 3.975 20 0 HHADHM O=C(N[C@H]1CCCN(c2cccnc2)C1=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436838718 981584455 /nfs/dbraw/zinc/58/44/55/981584455.db2.gz NQTCENISMUAUKX-FQEVSTJZSA-N -1 3 403.438 3.505 20 0 HHADHM C[C@]1(c2ccccc2)CCCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000436849191 981588912 /nfs/dbraw/zinc/58/89/12/981588912.db2.gz DVFHLNQKQMWQSU-BWKNWUBXSA-N -1 3 406.526 3.967 20 0 HHADHM Cc1cc(O[C@@H](C)C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)ccc1C(C)C ZINC000436857276 981594704 /nfs/dbraw/zinc/59/47/04/981594704.db2.gz VWHWEAVVFLOXHS-SFHVURJKSA-N -1 3 410.514 3.576 20 0 HHADHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CCC(Cc2ccccc2F)CC1 ZINC000436866360 981596877 /nfs/dbraw/zinc/59/68/77/981596877.db2.gz YETYNBWLJMGKII-NRFANRHFSA-N -1 3 410.489 3.617 20 0 HHADHM CC(C)(Cc1cccc(Cl)c1)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436871449 981598225 /nfs/dbraw/zinc/59/82/25/981598225.db2.gz SYFJYYCTDGBUOS-UHFFFAOYSA-N -1 3 400.906 3.599 20 0 HHADHM CCc1ccc(-c2nc([C@@H]3CC(=O)N(C(C)(C)C)[C@H]3c3cnn(C)c3)no2)c([O-])c1 ZINC000436882150 981600274 /nfs/dbraw/zinc/60/02/74/981600274.db2.gz WWBGQGOHZSDQAK-APWZRJJASA-N -1 3 409.490 3.594 20 0 HHADHM O=C(NCc1ccccc1CN1CCN(c2ccccc2)CC1)c1ccc([O-])cc1F ZINC000436882924 981600688 /nfs/dbraw/zinc/60/06/88/981600688.db2.gz XZDUSXLPTFCMOG-UHFFFAOYSA-N -1 3 419.500 3.784 20 0 HHADHM CC(C)NS(=O)(=O)c1cccc(-c2noc(-c3ccc(C(C)C)cc3[O-])n2)c1 ZINC000436901216 981607714 /nfs/dbraw/zinc/60/77/14/981607714.db2.gz AHJHLWKAZPERQT-UHFFFAOYSA-N -1 3 401.488 3.919 20 0 HHADHM CC(C)NS(=O)(=O)c1cccc(-c2noc(-c3cc4ccccc4cc3[O-])n2)c1 ZINC000436902188 981608530 /nfs/dbraw/zinc/60/85/30/981608530.db2.gz JFSDQSOAXRFGIG-UHFFFAOYSA-N -1 3 409.467 3.949 20 0 HHADHM COc1ccc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cc1OC ZINC000436907759 981613299 /nfs/dbraw/zinc/61/32/99/981613299.db2.gz YORGJBLXRFYJJT-FQEVSTJZSA-N -1 3 420.465 3.909 20 0 HHADHM O=C(NCC1(CCOCc2ccccc2)CC1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436917143 981621806 /nfs/dbraw/zinc/62/18/06/981621806.db2.gz ADSMFHQZNCAMLU-OAQYLSRUSA-N -1 3 422.525 3.500 20 0 HHADHM CN(C)c1cccc(CNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC000436921372 981625463 /nfs/dbraw/zinc/62/54/63/981625463.db2.gz JOZOCDSUENCONY-QHCPKHFHSA-N -1 3 417.509 3.636 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@@H]1CCc2c1cccc2O ZINC000436922030 981626133 /nfs/dbraw/zinc/62/61/33/981626133.db2.gz LXFMSIICOJNZFI-FGZHOGPDSA-N -1 3 416.477 3.763 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NC[C@@H]1COc2ccccc21 ZINC000436926747 981628621 /nfs/dbraw/zinc/62/86/21/981628621.db2.gz MVCHIARATUQYPH-KNQAVFIVSA-N -1 3 416.477 3.546 20 0 HHADHM CC1(C)CN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)[C@H]1[C@@H]1CCCO1 ZINC000436929296 981629304 /nfs/dbraw/zinc/62/93/04/981629304.db2.gz TZJLMSSAWDFYHM-FUDKSRODSA-N -1 3 422.525 3.669 20 0 HHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(F)c(C(F)(F)F)c1 ZINC000436940966 981635496 /nfs/dbraw/zinc/63/54/96/981635496.db2.gz BBSJYBQFVNGKDQ-UHFFFAOYSA-N -1 3 410.367 3.585 20 0 HHADHM Cc1ccc(C(=O)CC(C)(C)CC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000436942582 981636233 /nfs/dbraw/zinc/63/62/33/981636233.db2.gz CDSFOJDOOGTIIM-UHFFFAOYSA-N -1 3 422.525 3.674 20 0 HHADHM COc1cccc(C(=O)Nc2cccc(-c3cn(Cc4ccccc4)nn3)c2)c1[O-] ZINC000436941304 981636260 /nfs/dbraw/zinc/63/62/60/981636260.db2.gz CTIRTMLVKWSPMO-UHFFFAOYSA-N -1 3 400.438 3.960 20 0 HHADHM O=C(CCCc1ccc(Cl)cc1)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436942778 981637030 /nfs/dbraw/zinc/63/70/30/981637030.db2.gz HWMUCEBBIIVYOI-UHFFFAOYSA-N -1 3 400.906 3.789 20 0 HHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(-c2ccc(F)cc2)o1 ZINC000436945896 981638553 /nfs/dbraw/zinc/63/85/53/981638553.db2.gz QYSFCPPTMVYPHN-UHFFFAOYSA-N -1 3 408.429 3.826 20 0 HHADHM C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436950027 981640646 /nfs/dbraw/zinc/64/06/46/981640646.db2.gz XWDUHPPXFDONGB-KRWDZBQOSA-N -1 3 424.541 3.878 20 0 HHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCOC[C@@H]1[C@@H]1CCCCC1=O ZINC000436951787 981642271 /nfs/dbraw/zinc/64/22/71/981642271.db2.gz TVNAWDMDNZFBFV-RBBKRZOGSA-N -1 3 407.510 3.778 20 0 HHADHM Cc1nnc(-c2cccc(NC(=O)Nc3ccc(-c4cc(=O)[n-]c(C)n4)cc3)c2)n1C ZINC000448235896 981645357 /nfs/dbraw/zinc/64/53/57/981645357.db2.gz AHSWIAYEYOIGHS-UHFFFAOYSA-N -1 3 415.457 3.906 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCCOc2ccccc2C(C)C)c1 ZINC000436960291 981649380 /nfs/dbraw/zinc/64/93/80/981649380.db2.gz GOUPBQRJTIUFLN-UHFFFAOYSA-N -1 3 423.469 3.873 20 0 HHADHM COc1ccccc1CC(C)(C)NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000436966016 981652945 /nfs/dbraw/zinc/65/29/45/981652945.db2.gz VKWLHTQEPIDOND-UHFFFAOYSA-N -1 3 423.469 3.701 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2c3ccccc3CC[C@H]2C)c1 ZINC000436970362 981656116 /nfs/dbraw/zinc/65/61/16/981656116.db2.gz DERLUZFTKFDQEI-ASSNKEHSSA-N -1 3 405.454 3.994 20 0 HHADHM CCCCOc1ccc(C(=O)N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)c([O-])c1 ZINC000436972443 981657823 /nfs/dbraw/zinc/65/78/23/981657823.db2.gz OIQCOWAORHNTAO-QGZVFWFLSA-N -1 3 402.535 3.682 20 0 HHADHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CC2(CCCC2)c2c1cccc2F ZINC000436973334 981658528 /nfs/dbraw/zinc/65/85/28/981658528.db2.gz TWJFXUYNBCSCLI-IBGZPJMESA-N -1 3 408.473 3.995 20 0 HHADHM COc1cccc(C(C)(C)CNC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])c1 ZINC000436975506 981660428 /nfs/dbraw/zinc/66/04/28/981660428.db2.gz AXNDPRGOWNITJH-UHFFFAOYSA-N -1 3 423.469 3.657 20 0 HHADHM CC[C@@H](CSC)N(C)C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000436976871 981662043 /nfs/dbraw/zinc/66/20/43/981662043.db2.gz CNFAUZDLYGMYON-AWEZNQCLSA-N -1 3 407.561 3.552 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc(Oc3ccc(CO)cc3)cc2)c([O-])c1 ZINC000436979309 981663509 /nfs/dbraw/zinc/66/35/09/981663509.db2.gz YAKMXORSIMSWJR-UHFFFAOYSA-N -1 3 420.465 3.744 20 0 HHADHM Cc1cc(F)c(Br)cc1NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436980887 981664290 /nfs/dbraw/zinc/66/42/90/981664290.db2.gz AHFJACPZUIXVHJ-MRXNPFEDSA-N -1 3 421.266 3.846 20 0 HHADHM Cc1c(NC(=O)CCNC(=O)c2ccc(C)cc2[O-])cnn1-c1cc(C)ccc1C ZINC000436987593 981670320 /nfs/dbraw/zinc/67/03/20/981670320.db2.gz MSZAEYBOTVMDFR-UHFFFAOYSA-N -1 3 406.486 3.570 20 0 HHADHM CCCCOc1ccc(C(=O)N(C)C[C@@H]2C[C@H](F)CN2Cc2nccs2)c([O-])c1 ZINC000436987690 981670333 /nfs/dbraw/zinc/67/03/33/981670333.db2.gz VFGSGKGUCQLHKV-HOTGVXAUSA-N -1 3 421.538 3.712 20 0 HHADHM CCCCOc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(O)cc3)CC2)c([O-])c1 ZINC000436989340 981671066 /nfs/dbraw/zinc/67/10/66/981671066.db2.gz QYDHHBGRFZQCLS-UHFFFAOYSA-N -1 3 412.486 3.768 20 0 HHADHM CCCCOc1ccc(C(=O)N2CCCN(C(=O)CC3CCCC3)CC2)c([O-])c1 ZINC000436991826 981672724 /nfs/dbraw/zinc/67/27/24/981672724.db2.gz UPWJOBQFHIMWQK-UHFFFAOYSA-N -1 3 402.535 3.826 20 0 HHADHM Cc1nc(C)c(CC(=O)NCc2csc(-c3ccc(C(F)(F)F)cc3)n2)c(=O)[n-]1 ZINC000437024622 981697532 /nfs/dbraw/zinc/69/75/32/981697532.db2.gz WMOWJZKJFNLRSL-UHFFFAOYSA-N -1 3 422.432 3.800 20 0 HHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000448440962 981779695 /nfs/dbraw/zinc/77/96/95/981779695.db2.gz VGGDHOKHUUXCGR-UHFFFAOYSA-N -1 3 409.393 3.669 20 0 HHADHM CCOc1ccc([C@@H]2C[C@H]2NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])cc1 ZINC000437205087 981862301 /nfs/dbraw/zinc/86/23/01/981862301.db2.gz XOGILQHVASAKIG-FXAWDEMLSA-N -1 3 421.453 3.626 20 0 HHADHM CCOC(=O)C1CCN(C(=O)c2ccc(NCc3cc([O-])cc(F)c3)cc2)CC1 ZINC000437237198 981895413 /nfs/dbraw/zinc/89/54/13/981895413.db2.gz BZKKQFMYIBNYLX-UHFFFAOYSA-N -1 3 400.450 3.559 20 0 HHADHM O=S(=O)([N-]CCc1nc(C(F)(F)F)cs1)c1ccc(Br)s1 ZINC000437315740 981967147 /nfs/dbraw/zinc/96/71/47/981967147.db2.gz SAQDKDQGZUNBFV-UHFFFAOYSA-N -1 3 421.285 3.507 20 0 HHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 ZINC000437369550 982016627 /nfs/dbraw/zinc/01/66/27/982016627.db2.gz NMCZHURPVXSRTR-MEDUHNTESA-N -1 3 400.841 3.630 20 0 HHADHM C[C@H](NC(=O)c1c[n-]c2ccccc2c1=O)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000437527336 982153374 /nfs/dbraw/zinc/15/33/74/982153374.db2.gz KUQXPXYYUBNAGW-QMHKHESXSA-N -1 3 406.482 3.583 20 0 HHADHM Cc1c(C(=O)NCCF)sc2[n-]c(CSc3cc(C)ccc3C)nc(=O)c12 ZINC000437677049 982291238 /nfs/dbraw/zinc/29/12/38/982291238.db2.gz SYIGHZUFIIHUDS-UHFFFAOYSA-N -1 3 405.520 3.901 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)cc1 ZINC000460825859 982577191 /nfs/dbraw/zinc/57/71/91/982577191.db2.gz YIFDHFNROUHIQK-UHFFFAOYSA-N -1 3 403.435 3.792 20 0 HHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cccc(NC(=O)c4cccs4)c3)nc21 ZINC000438357376 982743237 /nfs/dbraw/zinc/74/32/37/982743237.db2.gz XCBUKKHVGFEREH-UHFFFAOYSA-N -1 3 420.450 3.916 20 0 HHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccccc3NCc3cccnc3)nc21 ZINC000438365166 982748055 /nfs/dbraw/zinc/74/80/55/982748055.db2.gz QEELRNYHMBUPJR-UHFFFAOYSA-N -1 3 401.426 3.609 20 0 HHADHM O=C(Nc1ccc(CC(F)(F)F)cc1)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000438376895 982753007 /nfs/dbraw/zinc/75/30/07/982753007.db2.gz SZCDXMXIWVTIPT-UHFFFAOYSA-N -1 3 421.419 3.923 20 0 HHADHM CC(C)(C)c1cc(C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)no1 ZINC000461105976 982796495 /nfs/dbraw/zinc/79/64/95/982796495.db2.gz FACRMGAWWQEDGI-UHFFFAOYSA-N -1 3 405.398 3.615 20 0 HHADHM COCCOc1ccccc1S(=O)(=O)[N-]c1cc(Cl)ccc1Br ZINC000461129875 982830714 /nfs/dbraw/zinc/83/07/14/982830714.db2.gz OBRXAWVCCIMSGT-UHFFFAOYSA-N -1 3 420.712 3.929 20 0 HHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000461300207 983000250 /nfs/dbraw/zinc/00/02/50/983000250.db2.gz MFQPMFLWWABRSW-VLIAUNLRSA-N -1 3 406.461 3.844 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000461308587 983006713 /nfs/dbraw/zinc/00/67/13/983006713.db2.gz NIPJRJKYOZGJOR-VFNWGFHPSA-N -1 3 420.488 3.822 20 0 HHADHM Cc1ccccc1-c1nc(C[N-]S(=O)(=O)c2cccc(Br)c2C)no1 ZINC000438900622 983143641 /nfs/dbraw/zinc/14/36/41/983143641.db2.gz MTEMMABLHWBAGN-UHFFFAOYSA-N -1 3 422.304 3.594 20 0 HHADHM O=S(=O)(CC1CCCCC1)[N-]C1(c2noc([C@@H]3CCOC3)n2)CCCCCC1 ZINC000438943927 983169815 /nfs/dbraw/zinc/16/98/15/983169815.db2.gz ABIVVDJYFGCZOV-QGZVFWFLSA-N -1 3 411.568 3.623 20 0 HHADHM CC(C)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000439019474 983213698 /nfs/dbraw/zinc/21/36/98/983213698.db2.gz KRHSHHSTAGGQOU-SFHVURJKSA-N -1 3 420.517 3.557 20 0 HHADHM C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000461608290 983236634 /nfs/dbraw/zinc/23/66/34/983236634.db2.gz LQZQKXYSAFGJHB-OAHLLOKOSA-N -1 3 417.465 3.656 20 0 HHADHM C[C@@H](CC(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C)c1ccc(C(F)(F)F)cc1 ZINC000461610507 983237574 /nfs/dbraw/zinc/23/75/74/983237574.db2.gz AVADFBAMFADUMY-NSHDSACASA-N -1 3 407.392 3.734 20 0 HHADHM CCCCCn1cc(C(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)c2ccccc21 ZINC000461619558 983243069 /nfs/dbraw/zinc/24/30/69/983243069.db2.gz SIWSRKVBTKCYTR-UHFFFAOYSA-N -1 3 406.486 3.980 20 0 HHADHM Cn1c2cc([O-])c(NC(=O)c3sc(C4CC4)nc3-c3ccccc3)cc2n(C)c1=O ZINC000461625989 983247641 /nfs/dbraw/zinc/24/76/41/983247641.db2.gz XLJJSYXUIXJMGI-UHFFFAOYSA-N -1 3 420.494 3.836 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N(CC3CC3)C3CCCCC3)c2)n1 ZINC000439543912 983443053 /nfs/dbraw/zinc/44/30/53/983443053.db2.gz AMICCKYOCKUJEC-UHFFFAOYSA-N -1 3 422.529 3.921 20 0 HHADHM CC[C@H](CNC(=O)CCc1c(C)nc(C)[n-]c1=O)Oc1ccccc1C(F)(F)F ZINC000439656663 983486662 /nfs/dbraw/zinc/48/66/62/983486662.db2.gz UGFUEOVTPPGYOV-CQSZACIVSA-N -1 3 411.424 3.724 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](c2ccc(C(F)(F)F)cc2)C(C)C)c(C)o1 ZINC000439659781 983488273 /nfs/dbraw/zinc/48/82/73/983488273.db2.gz VNXRCAKMKHYTKM-MRXNPFEDSA-N -1 3 418.437 3.642 20 0 HHADHM O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)Nc1ccc(F)c(C2CC2)c1 ZINC000439798943 983543359 /nfs/dbraw/zinc/54/33/59/983543359.db2.gz ZTUXDDMGUXYOPD-UHFFFAOYSA-N -1 3 417.915 3.518 20 0 HHADHM CN1CCC[C@H](CNC(=O)c2nn(-c3ccccc3F)cc2[O-])[C@H]1c1cccs1 ZINC000439826858 983551655 /nfs/dbraw/zinc/55/16/55/983551655.db2.gz ARPNNUOSRZJMOS-VLIAUNLRSA-N -1 3 414.506 3.591 20 0 HHADHM Cc1nc(C)c(CC(=O)N2CCC(c3ccccc3Br)CC2)c(=O)[n-]1 ZINC000439972895 983600486 /nfs/dbraw/zinc/60/04/86/983600486.db2.gz LWIQVRTUCYKQTA-UHFFFAOYSA-N -1 3 404.308 3.510 20 0 HHADHM NC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(OCC(F)F)c3ccccc32)c1 ZINC000440288229 983707371 /nfs/dbraw/zinc/70/73/71/983707371.db2.gz ASVMARLAHBLRNH-UHFFFAOYSA-N -1 3 424.400 3.523 20 0 HHADHM Cc1c([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)cccc1C(=O)N1CCCC1 ZINC000440287528 983707460 /nfs/dbraw/zinc/70/74/60/983707460.db2.gz ZYNVROAYEQHYHF-UHFFFAOYSA-N -1 3 414.527 3.745 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N3[C@H](C)C[C@H]4CCCC[C@@H]43)c2)n1 ZINC000440332789 983726184 /nfs/dbraw/zinc/72/61/84/983726184.db2.gz DNYVYRRNCKPUQT-CLCXKQKWSA-N -1 3 408.502 3.530 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]CCC(=O)Nc2cccc(Cl)c2C)c(F)cc1F ZINC000440390127 983741708 /nfs/dbraw/zinc/74/17/08/983741708.db2.gz IFBOXIRTZHQPCX-UHFFFAOYSA-N -1 3 402.850 3.542 20 0 HHADHM CSc1ccc(-c2nsc([N-]C(=O)c3cn(Cc4cccs4)nn3)n2)cc1 ZINC000440473167 983769376 /nfs/dbraw/zinc/76/93/76/983769376.db2.gz WYLOOBUZUHSTOK-UHFFFAOYSA-N -1 3 414.541 3.881 20 0 HHADHM CC(C)Sc1ccc(Cl)cc1[N-]C(=O)c1ccc(CNS(C)(=O)=O)o1 ZINC000440551123 983793748 /nfs/dbraw/zinc/79/37/48/983793748.db2.gz TZBUTYNTJCAPKN-UHFFFAOYSA-N -1 3 402.925 3.735 20 0 HHADHM COc1ccc(-c2ccc(CNC(=O)Nc3ccc4c(c3)C(=O)[N-]C4=O)cc2)cc1 ZINC000440709819 983862700 /nfs/dbraw/zinc/86/27/00/983862700.db2.gz DRGPQTRWJUGYJI-UHFFFAOYSA-N -1 3 401.422 3.568 20 0 HHADHM Cc1ccnc2nc(C(=O)Nc3ccc([O-])c(-c4nc5ccccc5s4)c3)nn21 ZINC000440943493 983992024 /nfs/dbraw/zinc/99/20/24/983992024.db2.gz REEBPCCDOVNBND-UHFFFAOYSA-N -1 3 402.439 3.667 20 0 HHADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1cnc2ccccn2c1=O ZINC000440944640 983992440 /nfs/dbraw/zinc/99/24/40/983992440.db2.gz XSJKASQLJCTHKU-UHFFFAOYSA-N -1 3 414.446 3.929 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N3CCCC[C@@H]3CC(C)C)c2)n1 ZINC000440947474 983993154 /nfs/dbraw/zinc/99/31/54/983993154.db2.gz CSDJAXVSIJDIIA-LJQANCHMSA-N -1 3 410.518 3.777 20 0 HHADHM CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000440988073 984013617 /nfs/dbraw/zinc/01/36/17/984013617.db2.gz ILFVGZINXHDDHR-KRWDZBQOSA-N -1 3 405.376 3.578 20 0 HHADHM Cc1ccnc(Oc2ccc([N-]S(=O)(=O)c3ccc(N4CCCC4=O)cc3)cc2)n1 ZINC000441713973 984411591 /nfs/dbraw/zinc/41/15/91/984411591.db2.gz FLGYMZJHAMIQKG-UHFFFAOYSA-N -1 3 424.482 3.505 20 0 HHADHM O=S(=O)([N-]Cc1cccc(COCC(F)(F)F)c1)c1cc(F)c(F)c(F)c1 ZINC000441865733 984507900 /nfs/dbraw/zinc/50/79/00/984507900.db2.gz CRJNQDMVFPLHII-UHFFFAOYSA-N -1 3 413.339 3.661 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]Cc2cccc(COCC(F)(F)F)c2)c(F)cc1F ZINC000441880806 984516280 /nfs/dbraw/zinc/51/62/80/984516280.db2.gz QJGQIVFDAJHORR-UHFFFAOYSA-N -1 3 409.376 3.831 20 0 HHADHM CCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)c(Cl)c(C)c2)cc1F ZINC000442229474 984749164 /nfs/dbraw/zinc/74/91/64/984749164.db2.gz MHCHJYKHTREUON-UHFFFAOYSA-N -1 3 420.915 3.658 20 0 HHADHM Cc1nc2ccccc2n1CCCCCS(=O)(=O)c1nc(Cc2ccccc2)n[n-]1 ZINC000461803533 984789529 /nfs/dbraw/zinc/78/95/29/984789529.db2.gz ZUKVKLBQPCZJSU-UHFFFAOYSA-N -1 3 423.542 3.698 20 0 HHADHM Cc1nc2ccccc2n1CCCCCS(=O)(=O)c1nnc(Cc2ccccc2)[n-]1 ZINC000461803533 984789532 /nfs/dbraw/zinc/78/95/32/984789532.db2.gz ZUKVKLBQPCZJSU-UHFFFAOYSA-N -1 3 423.542 3.698 20 0 HHADHM Cc1nc2ccccc2n1CCCCCS(=O)(=O)c1n[n-]c(Cc2ccccc2)n1 ZINC000461803533 984789536 /nfs/dbraw/zinc/78/95/36/984789536.db2.gz ZUKVKLBQPCZJSU-UHFFFAOYSA-N -1 3 423.542 3.698 20 0 HHADHM CCOC(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(F)cc1Br ZINC000442321738 984821484 /nfs/dbraw/zinc/82/14/84/984821484.db2.gz HQJGILVOMHMGKC-UHFFFAOYSA-N -1 3 402.241 3.566 20 0 HHADHM Cc1cc(N2CCCC[C@@H]2C)ccc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)C)cc1 ZINC000442613635 985091761 /nfs/dbraw/zinc/09/17/61/985091761.db2.gz DIVRDCJZEIOSLJ-KRWDZBQOSA-N -1 3 415.559 3.876 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H]2C[C@H]2c2c(F)cccc2F)s1 ZINC000462128161 985098458 /nfs/dbraw/zinc/09/84/58/985098458.db2.gz GKWSHAYDXFEMSG-PELKAZGASA-N -1 3 408.289 3.932 20 0 HHADHM O=S(=O)([N-]C[C@@H]1CCN(c2ccccc2F)C1)c1cc(Cl)ccc1Cl ZINC000462137998 985108571 /nfs/dbraw/zinc/10/85/71/985108571.db2.gz KNKKRLARGMZLJP-LBPRGKRZSA-N -1 3 403.306 3.937 20 0 HHADHM CCC[C@]1(C)CCCN(C(=O)C(=O)Nc2cccc(-c3nc(CC)cc(=O)[n-]3)c2)C1 ZINC000442635513 985112247 /nfs/dbraw/zinc/11/22/47/985112247.db2.gz FQYYPPSHICNECC-HSZRJFAPSA-N -1 3 410.518 3.779 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@H]2CC2(C)C)c(Br)c1 ZINC000462151170 985123128 /nfs/dbraw/zinc/12/31/28/985123128.db2.gz OAGBQSHCIDCGJA-VIFPVBQESA-N -1 3 411.159 3.844 20 0 HHADHM CCc1nc(CC[N-]S(=O)(=O)c2sc(C)cc2Br)sc1C ZINC000462164627 985140250 /nfs/dbraw/zinc/14/02/50/985140250.db2.gz NUXMAVBKLMKPLA-UHFFFAOYSA-N -1 3 409.396 3.667 20 0 HHADHM Cc1ccc(-c2nc(CC[N-]S(=O)(=O)c3cnccc3C(F)(F)F)co2)cc1 ZINC000442749074 985201122 /nfs/dbraw/zinc/20/11/22/985201122.db2.gz DEADFQYAHRTQMD-UHFFFAOYSA-N -1 3 411.405 3.585 20 0 HHADHM O=S(=O)([N-][C@@H]1CCCc2cn(C3CCCC3)nc21)c1cnccc1C(F)(F)F ZINC000442767556 985209161 /nfs/dbraw/zinc/20/91/61/985209161.db2.gz YWKNFXPRPPUIAQ-OAHLLOKOSA-N -1 3 414.453 3.768 20 0 HHADHM CC[C@](C)(COc1ncccc1Cl)[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000442773759 985211723 /nfs/dbraw/zinc/21/17/23/985211723.db2.gz YLALMWIXVXIQOO-OAHLLOKOSA-N -1 3 423.844 3.675 20 0 HHADHM O=S(=O)([N-]c1cc(F)cc(F)c1Br)c1cc(F)c(F)c(F)c1 ZINC000442837930 985238021 /nfs/dbraw/zinc/23/80/21/985238021.db2.gz RFTACEXAKZWQNY-UHFFFAOYSA-N -1 3 402.138 3.945 20 0 HHADHM O=S(=O)([N-]C[C@@H]1CCCO[C@@H]1c1ccccc1)c1cnccc1C(F)(F)F ZINC000442906918 985273078 /nfs/dbraw/zinc/27/30/78/985273078.db2.gz IHLCMOADSSYRSS-WMLDXEAASA-N -1 3 400.422 3.547 20 0 HHADHM COC[C@@H](C)[C@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000462292414 985279913 /nfs/dbraw/zinc/27/99/13/985279913.db2.gz ANNGWOTWFMHGCZ-CVEARBPZSA-N -1 3 420.531 3.662 20 0 HHADHM CC1(C)CN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)[C@@H]2CCC[C@H]2O1 ZINC000442930738 985285620 /nfs/dbraw/zinc/28/56/20/985285620.db2.gz BCXBUKPRWXSDRI-BHDDXSALSA-N -1 3 422.525 3.812 20 0 HHADHM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2ccc(Br)c(C)c2)o1 ZINC000462310379 985296696 /nfs/dbraw/zinc/29/66/96/985296696.db2.gz CLISMWAZXJNHSJ-OAHLLOKOSA-N -1 3 402.310 3.579 20 0 HHADHM CO[C@@H](c1ccc(Cl)cc1)[C@H](C)[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000462335872 985325690 /nfs/dbraw/zinc/32/56/90/985325690.db2.gz CGCPCINXJBKJOG-ZUZCIYMTSA-N -1 3 419.728 3.552 20 0 HHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCc2c1cccc2Cl ZINC000443005875 985330749 /nfs/dbraw/zinc/33/07/49/985330749.db2.gz GLSLQTBLIWAIOZ-OAHLLOKOSA-N -1 3 400.283 3.746 20 0 HHADHM COc1cc(OC)cc(S(=O)(=O)[N-]c2cccc3c2CN([C@H](C)C(C)C)C3)c1 ZINC000462351739 985340661 /nfs/dbraw/zinc/34/06/61/985340661.db2.gz JJWUICFASKDVHC-OAHLLOKOSA-N -1 3 404.532 3.865 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H](C)c1ccc(OC)cc1 ZINC000443032705 985345803 /nfs/dbraw/zinc/34/58/03/985345803.db2.gz BVZXXRQMQYEYJA-GFCCVEGCSA-N -1 3 405.497 3.736 20 0 HHADHM C[C@H]([N-]S(=O)(=O)c1cnn(-c2ccccc2F)c1)c1ncc(-c2ccccc2)o1 ZINC000462364121 985351905 /nfs/dbraw/zinc/35/19/05/985351905.db2.gz VEBMXCQHSWGYPM-AWEZNQCLSA-N -1 3 412.446 3.706 20 0 HHADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc3c2CN([C@H](C)C(C)C)C3)ccc1F ZINC000462368829 985354555 /nfs/dbraw/zinc/35/45/55/985354555.db2.gz GYTORSKKHAQYOR-CQSZACIVSA-N -1 3 419.522 3.945 20 0 HHADHM CC(C)CCOc1ccc([N-]S(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)C3)cc1 ZINC000462374798 985359017 /nfs/dbraw/zinc/35/90/17/985359017.db2.gz ZAKICILPZQHCCA-UHFFFAOYSA-N -1 3 414.527 3.748 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H]1CCOc2ccc(F)cc21 ZINC000443071772 985361919 /nfs/dbraw/zinc/36/19/19/985361919.db2.gz OOWWCRVWIWKJJU-AWEZNQCLSA-N -1 3 421.471 3.629 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C[C@@H]1CCOc2ccccc21 ZINC000443077193 985364229 /nfs/dbraw/zinc/36/42/29/985364229.db2.gz ZPDAOGOXNYEUHW-ZDUSSCGKSA-N -1 3 417.508 3.533 20 0 HHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000443090618 985370236 /nfs/dbraw/zinc/37/02/36/985370236.db2.gz YORIRYUYSFFVCP-CQSZACIVSA-N -1 3 418.273 3.885 20 0 HHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]Cc1cccc(N2CCC2=O)c1 ZINC000443100805 985375688 /nfs/dbraw/zinc/37/56/88/985375688.db2.gz JGXVXRDPTJUCIT-UHFFFAOYSA-N -1 3 404.875 3.610 20 0 HHADHM COc1cccc(F)c1[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000462406302 985382654 /nfs/dbraw/zinc/38/26/54/985382654.db2.gz HTHIOSZJOFDNSM-SECBINFHSA-N -1 3 418.849 3.625 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H](C)Cc1ccc(C)s1 ZINC000443122092 985389842 /nfs/dbraw/zinc/38/98/42/985389842.db2.gz FQWQHAVFCGFXPT-LLVKDONJSA-N -1 3 409.554 3.967 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H](C)Cc1ccc(C)s1 ZINC000443122094 985390221 /nfs/dbraw/zinc/39/02/21/985390221.db2.gz FQWQHAVFCGFXPT-NSHDSACASA-N -1 3 409.554 3.967 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C1(c2nccs2)CCCC1 ZINC000443131953 985396210 /nfs/dbraw/zinc/39/62/10/985396210.db2.gz PNAOCOLCYVVWHW-UHFFFAOYSA-N -1 3 422.553 3.892 20 0 HHADHM O=S(=O)([N-]Cc1ccnc(OCc2ccccc2)c1)c1cc(F)c(F)c(F)c1 ZINC000462434253 985402727 /nfs/dbraw/zinc/40/27/27/985402727.db2.gz CMHSJYCOTFFCCE-UHFFFAOYSA-N -1 3 408.401 3.556 20 0 HHADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2Cl)c(OC)c1 ZINC000443153066 985411527 /nfs/dbraw/zinc/41/15/27/985411527.db2.gz LDHXPBNEEIGUNF-UHFFFAOYSA-N -1 3 423.796 3.955 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@H](c2ccco2)N2CCCC2)s1 ZINC000462470023 985428268 /nfs/dbraw/zinc/42/82/68/985428268.db2.gz CDSWGWLUHVMUDX-CYBMUJFWSA-N -1 3 419.366 3.527 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H](c1nc(C)cs1)C1CC1 ZINC000443252751 985459518 /nfs/dbraw/zinc/45/95/18/985459518.db2.gz STYKSWNRBWFYDO-CQSZACIVSA-N -1 3 422.553 3.882 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H](c1nc(C)cs1)C1CC1 ZINC000443252748 985459595 /nfs/dbraw/zinc/45/95/95/985459595.db2.gz STYKSWNRBWFYDO-AWEZNQCLSA-N -1 3 422.553 3.882 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCN2c3ccccc3C[C@H]2C)s1 ZINC000462522634 985472506 /nfs/dbraw/zinc/47/25/06/985472506.db2.gz RHQPZNFKWOZREJ-LLVKDONJSA-N -1 3 415.378 3.549 20 0 HHADHM O=S(=O)([N-][C@@H]1CCc2cc(Br)ccc21)c1cc(F)c(F)c(F)c1 ZINC000462527729 985476821 /nfs/dbraw/zinc/47/68/21/985476821.db2.gz ITSNDNWXMDNHNR-CQSZACIVSA-N -1 3 406.223 3.832 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@H]2CCN(c3ccccc3)C2)s1 ZINC000462555254 985503486 /nfs/dbraw/zinc/50/34/86/985503486.db2.gz WHLZSYBBPLOWKM-CYBMUJFWSA-N -1 3 415.378 3.624 20 0 HHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H](c1ccccc1)c1cccc(F)c1 ZINC000443366597 985527297 /nfs/dbraw/zinc/52/72/97/985527297.db2.gz UYUTVVAPUVGTRH-HXUWFJFHSA-N -1 3 417.433 3.819 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C1CCC2(CCOCC2)CC1 ZINC000443371015 985531182 /nfs/dbraw/zinc/53/11/82/985531182.db2.gz JQUFNFBXELGBTN-UHFFFAOYSA-N -1 3 423.556 3.706 20 0 HHADHM C[C@H](Cc1cccc(O)c1)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000443370440 985531362 /nfs/dbraw/zinc/53/13/62/985531362.db2.gz BYVLRPIFYJGFLC-SNVBAGLBSA-N -1 3 404.713 3.718 20 0 HHADHM CO[C@H]1CCN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)[C@@H](C)C1 ZINC000443381704 985541318 /nfs/dbraw/zinc/54/13/18/985541318.db2.gz QBKXOXDNMGREOU-ONGXEEELSA-N -1 3 413.699 3.584 20 0 HHADHM COc1ccc(O[C@H](C)C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1 ZINC000462602468 985547436 /nfs/dbraw/zinc/54/74/36/985547436.db2.gz MDYDBIPPRYVFSF-LLVKDONJSA-N -1 3 407.385 3.599 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3c(C)cc(C)[nH]c3=O)cc2)cc1 ZINC000467923154 985556084 /nfs/dbraw/zinc/55/60/84/985556084.db2.gz PUVPYPMHZXBLHI-UHFFFAOYSA-N -1 3 411.483 3.766 20 0 HHADHM O=C(NCc1ccc([O-])c(F)c1)c1c(Cl)cccc1I ZINC000467923191 985556100 /nfs/dbraw/zinc/55/61/00/985556100.db2.gz QEGIANKTDWEAGT-UHFFFAOYSA-N -1 3 405.594 3.719 20 0 HHADHM C[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])c1ccc(C(F)(F)F)cc1 ZINC000443404807 985558798 /nfs/dbraw/zinc/55/87/98/985558798.db2.gz URYVMNREFOYOSN-KSSFIOAISA-N -1 3 420.431 3.936 20 0 HHADHM COc1ccc(Br)c([N-]S(=O)(=O)c2cccc3c2OC(C)(C)C3)c1 ZINC000443407293 985562171 /nfs/dbraw/zinc/56/21/71/985562171.db2.gz OXQIDOGHUBCJRI-UHFFFAOYSA-N -1 3 412.305 3.972 20 0 HHADHM CN(C)C(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc3c2OC(C)(C)C3)c1 ZINC000443408831 985564577 /nfs/dbraw/zinc/56/45/77/985564577.db2.gz IRKSGZFVGISAGB-UHFFFAOYSA-N -1 3 408.907 3.556 20 0 HHADHM Cn1ncnc1COc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cc2)cc1 ZINC000443419873 985576525 /nfs/dbraw/zinc/57/65/25/985576525.db2.gz SXOZUEZUFAOKDN-UHFFFAOYSA-N -1 3 420.494 3.862 20 0 HHADHM O=S(=O)([N-][C@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(Br)s1 ZINC000462676461 985614713 /nfs/dbraw/zinc/61/47/13/985614713.db2.gz JZTUOMFPDDLHNM-QWHCGFSZSA-N -1 3 402.335 3.709 20 0 HHADHM O=S(=O)([N-][C@@H]1CCO[C@H](c2ccccc2)C1)c1cc(F)ccc1Br ZINC000462679145 985617699 /nfs/dbraw/zinc/61/76/99/985617699.db2.gz HDMOTMLZGUCEPK-ZBFHGGJFSA-N -1 3 414.296 3.787 20 0 HHADHM COc1cccc(O[C@H](C)C[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)c1 ZINC000462696475 985637075 /nfs/dbraw/zinc/63/70/75/985637075.db2.gz LEQURPZKVLJMAN-CQSZACIVSA-N -1 3 404.513 3.565 20 0 HHADHM CCC[C@H](C)CS(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)N(C)c1ccccc1 ZINC000462705166 985649401 /nfs/dbraw/zinc/64/94/01/985649401.db2.gz OTCNZOMVPPOFGK-RXVVDRJESA-N -1 3 402.560 3.616 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@H](C)Oc2cccc(C)c2)s1 ZINC000462727135 985674670 /nfs/dbraw/zinc/67/46/70/985674670.db2.gz LPNHMGWNHLUKTP-LLVKDONJSA-N -1 3 404.351 3.873 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)CCc2c[nH]c3ccc(C)cc23)cc1OC ZINC000468079511 985736468 /nfs/dbraw/zinc/73/64/68/985736468.db2.gz SVIQBZATXXCUCD-UHFFFAOYSA-N -1 3 415.515 3.818 20 0 HHADHM C[C@@H](NC(=O)c1cncc([N-]S(C)(=O)=O)c1)c1ccc(Cl)c2ccccc21 ZINC000462838161 985760844 /nfs/dbraw/zinc/76/08/44/985760844.db2.gz IXBBZQBXOJATIG-GFCCVEGCSA-N -1 3 403.891 3.751 20 0 HHADHM COCc1ccc([C@H]2CCCN2C(=O)NCc2ccc([O-])c(Br)c2)o1 ZINC000468134313 985799405 /nfs/dbraw/zinc/79/94/05/985799405.db2.gz WQVMANQCMOFCRK-OAHLLOKOSA-N -1 3 409.280 3.941 20 0 HHADHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)Nc1ccc2ccoc2c1 ZINC000443674424 985882618 /nfs/dbraw/zinc/88/26/18/985882618.db2.gz NKLCAXMFJLRRHZ-UHFFFAOYSA-N -1 3 401.378 3.991 20 0 HHADHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)[C@H]1CCN1Cc1ccccc1 ZINC000468237190 985934643 /nfs/dbraw/zinc/93/46/43/985934643.db2.gz DKYRWFXBFOIBPI-JOCHJYFZSA-N -1 3 421.522 3.700 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N1CCC2(CCC2)C1 ZINC000468245885 985942303 /nfs/dbraw/zinc/94/23/03/985942303.db2.gz RFRDKKAEINKBTJ-UHFFFAOYSA-N -1 3 402.491 3.951 20 0 HHADHM CCc1cc(=O)[n-]c(CN(CC(=O)Nc2ccccc2F)Cc2ccccc2F)n1 ZINC000468270004 985972129 /nfs/dbraw/zinc/97/21/29/985972129.db2.gz JGUWUKCLLTVRFZ-UHFFFAOYSA-N -1 3 412.440 3.664 20 0 HHADHM Cc1ccc(-n2cc(C(=O)[N-]c3n[nH]c(-c4cc(Cl)ccc4Cl)n3)nn2)cc1 ZINC000463161655 986133581 /nfs/dbraw/zinc/13/35/81/986133581.db2.gz NMJSNRJVLKIHAM-UHFFFAOYSA-N -1 3 414.256 3.920 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CC[C@H](C)C2(CCCCC2)C1 ZINC000463172205 986144108 /nfs/dbraw/zinc/14/41/08/986144108.db2.gz 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O=C(CCCc1ccc([O-])c(F)c1)Nc1ccc(N2CCOCC2)c2ccncc12 ZINC000468533898 986239103 /nfs/dbraw/zinc/23/91/03/986239103.db2.gz ZVZFCNIJPVJROC-UHFFFAOYSA-N -1 3 409.461 3.878 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@@H](C)CCc2cccc(F)c2)cc1OC ZINC000463291475 986257838 /nfs/dbraw/zinc/25/78/38/986257838.db2.gz WPQCZTNLUCZUNN-AWEZNQCLSA-N -1 3 408.495 3.803 20 0 HHADHM CCOc1cccc(C[N-]S(=O)(=O)c2ccccc2SC)c1OC(F)F ZINC000444067852 986270654 /nfs/dbraw/zinc/27/06/54/986270654.db2.gz DVMWCMKEASNCFC-UHFFFAOYSA-N -1 3 403.472 3.887 20 0 HHADHM Cc1ncsc1C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000444091517 986291005 /nfs/dbraw/zinc/29/10/05/986291005.db2.gz PXBXWTKYILAZOW-UHFFFAOYSA-N -1 3 416.149 3.999 20 0 HHADHM CCCc1ccc([C@H](C)N(CC(N)=O)C(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000468624230 986340921 /nfs/dbraw/zinc/34/09/21/986340921.db2.gz XRZPUUHYHUXURZ-INIZCTEOSA-N -1 3 400.494 3.882 20 0 HHADHM C[C@H]1CN(Cc2csc(NC(=O)CCCc3ccc([O-])c(F)c3)n2)C[C@H](C)O1 ZINC000468643172 986357546 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/nfs/dbraw/zinc/59/33/51/989593351.db2.gz DVRNAYARSRLMEQ-UHFFFAOYSA-N -1 3 419.482 3.519 20 0 HHADHM COC(=O)c1cc([N-]S(=O)(=O)Cc2cc(-c3ccc(F)cc3)no2)c(C)cc1C ZINC000471582816 989786594 /nfs/dbraw/zinc/78/65/94/989786594.db2.gz ZOIOKWCVSDYEAT-UHFFFAOYSA-N -1 3 418.446 3.826 20 0 HHADHM COC(=O)C[C@H](NC(=O)c1cc([O-])c2ccccc2c1)c1ccc(OC)c(OC)c1 ZINC000471628653 989836146 /nfs/dbraw/zinc/83/61/46/989836146.db2.gz NHABOUYBYSMWKP-SFHVURJKSA-N -1 3 409.438 3.597 20 0 HHADHM COc1ccc(C)nc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000471722714 989919057 /nfs/dbraw/zinc/91/90/57/989919057.db2.gz COWFIHSLJYHSHQ-UHFFFAOYSA-N -1 3 415.446 3.591 20 0 HHADHM COc1ccc([C@H](Cc2ccccc2C)NC(=O)NCc2ncccc2[O-])cc1OC ZINC000471771635 989962017 /nfs/dbraw/zinc/96/20/17/989962017.db2.gz NXBXBIDMVFRFFQ-IBGZPJMESA-N -1 3 421.497 3.896 20 0 HHADHM Cc1nc2ccccc2n1CCC[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC000471782964 989971953 /nfs/dbraw/zinc/97/19/53/989971953.db2.gz VPDIJAVROLNTNQ-UHFFFAOYSA-N -1 3 401.463 3.907 20 0 HHADHM O=C(NCc1ncccc1[O-])NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000471867386 990039142 /nfs/dbraw/zinc/03/91/42/990039142.db2.gz ACNXIOKGXNUENJ-UHFFFAOYSA-N -1 3 409.317 3.558 20 0 HHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](c2cccc(Cl)c2)c2ccccn2)s1 ZINC000471876433 990048718 /nfs/dbraw/zinc/04/87/18/990048718.db2.gz MHVUXYFHEDEFLH-KRWDZBQOSA-N -1 3 422.915 3.651 20 0 HHADHM Cc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3ccc4c(c3)C[C@H](C)O4)n2)cc1F ZINC000471895551 990066983 /nfs/dbraw/zinc/06/69/83/990066983.db2.gz MCWUFPKTGWFRNK-QWHCGFSZSA-N -1 3 417.462 3.547 20 0 HHADHM CCN1CCN(c2cccc([N-]S(=O)(=O)c3cc(Cl)sc3Cl)c2)CC1 ZINC000471929171 990095530 /nfs/dbraw/zinc/09/55/30/990095530.db2.gz CWSICKMVWGVKJH-UHFFFAOYSA-N -1 3 420.387 3.998 20 0 HHADHM CN1CC[C@H](NC(=O)N=c2nc(-c3ccccc3Cl)[n-]s2)[C@H]1c1ccccc1 ZINC000471942116 990105939 /nfs/dbraw/zinc/10/59/39/990105939.db2.gz IPVWGJVKTBZWBY-DLBZAZTESA-N -1 3 413.934 3.847 20 0 HHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CC[C@@H](C)[C@@H]1c1cccc(F)c1 ZINC000472063298 990226469 /nfs/dbraw/zinc/22/64/69/990226469.db2.gz MXSQKEKCAFCGEV-SPLOXXLWSA-N -1 3 406.461 3.844 20 0 HHADHM O=c1nc(CS(=O)(=O)C2CC2)[n-]c2sc3c(c21)CC[C@H](c1ccccc1)C3 ZINC000466402718 991697065 /nfs/dbraw/zinc/69/70/65/991697065.db2.gz ABHBZJLACSTNTG-ZDUSSCGKSA-N -1 3 400.525 3.747 20 0 HHADHM CC[C@H]([N-]S(=O)(=O)c1cnn(-c2ccccc2)c1)c1nc(C(F)(F)F)cs1 ZINC000466878094 992199547 /nfs/dbraw/zinc/19/95/47/992199547.db2.gz QCYZVPOSKBJBNU-ZDUSSCGKSA-N -1 3 416.450 3.777 20 0 HHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)CC[C@@H]3CCCO3)c2)cc1 ZINC000467018025 992325571 /nfs/dbraw/zinc/32/55/71/992325571.db2.gz CHXOCBHAORBYEC-IBGZPJMESA-N -1 3 416.543 3.745 20 0 HHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCN(c3ncccc3Cl)C2)c1Cl ZINC000467118999 992432810 /nfs/dbraw/zinc/43/28/10/992432810.db2.gz PZPUUPLOLORACU-LLVKDONJSA-N -1 3 420.749 3.907 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cncc(F)c3)ccc2C)cc1 ZINC000467642568 992904017 /nfs/dbraw/zinc/90/40/17/992904017.db2.gz YEJZKFULHRBEEZ-UHFFFAOYSA-N -1 3 415.446 3.591 20 0 HHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CCc1ccn(-c2ccc(F)cc2)n1 ZINC000472291951 993307585 /nfs/dbraw/zinc/30/75/85/993307585.db2.gz AICJBVALNZPVMM-UHFFFAOYSA-N -1 3 417.437 3.726 20 0 HHADHM O=S(=O)([N-][C@H](c1ccc(F)cc1)C(F)(F)F)c1c[nH]c2nccc(Cl)c12 ZINC000480741603 993608816 /nfs/dbraw/zinc/60/88/16/993608816.db2.gz OPQPVRALARXVDY-CYBMUJFWSA-N -1 3 407.776 3.937 20 0 HHADHM C[C@H](O)[C@](C)(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)Cc1ccccc1 ZINC000480753294 993619727 /nfs/dbraw/zinc/61/97/27/993619727.db2.gz IGWXJJPJLIEYKZ-UGSOOPFHSA-N -1 3 402.343 3.902 20 0 HHADHM C[C@@H](O)[C@](C)(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)Cc1ccccc1 ZINC000480753291 993620003 /nfs/dbraw/zinc/62/00/03/993620003.db2.gz IGWXJJPJLIEYKZ-ACJLOTCBSA-N -1 3 402.343 3.902 20 0 HHADHM O=C([N-]c1cncc(Cl)c1Cl)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000480809386 993681770 /nfs/dbraw/zinc/68/17/70/993681770.db2.gz ZNBRRVISNGIJEY-UHFFFAOYSA-N -1 3 420.343 3.877 20 0 HHADHM O=S(=O)([N-][C@@H]1CCCc2c(O)cccc21)c1cc(Br)ccc1F ZINC000480881894 993745917 /nfs/dbraw/zinc/74/59/17/993745917.db2.gz RDQUJZHQGZLPAM-CQSZACIVSA-N -1 3 400.269 3.650 20 0 HHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C)C(=O)N2Cc3ccccc3C2)c1Cl ZINC000480948388 993791678 /nfs/dbraw/zinc/79/16/78/993791678.db2.gz BPCWOGODQDHPEH-GFCCVEGCSA-N -1 3 413.326 3.511 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1ccc2nc(Cc3ccccc3)oc2c1 ZINC000480964016 993803902 /nfs/dbraw/zinc/80/39/02/993803902.db2.gz QIZBFBYBEJOTEF-UHFFFAOYSA-N -1 3 416.363 3.877 20 0 HHADHM O=S(=O)([N-][C@H]1CCCc2c[nH]nc21)c1ccc(Br)cc1C(F)(F)F ZINC000481074940 993914408 /nfs/dbraw/zinc/91/44/08/993914408.db2.gz OYBUQGBGKFENSS-NSHDSACASA-N -1 3 424.242 3.547 20 0 HHADHM Cc1nc(C)c(CCC(=O)Nc2ccc(OC(F)F)c(C(F)(F)F)c2)c(=O)[n-]1 ZINC000481530554 994361760 /nfs/dbraw/zinc/36/17/60/994361760.db2.gz CVEJIRBSWMSNLI-UHFFFAOYSA-N -1 3 405.323 3.991 20 0 HHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000481639750 994505234 /nfs/dbraw/zinc/50/52/34/994505234.db2.gz LWUPVHVZKODRQU-UHFFFAOYSA-N -1 3 401.199 3.502 20 0 HHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000481639750 994505246 /nfs/dbraw/zinc/50/52/46/994505246.db2.gz LWUPVHVZKODRQU-UHFFFAOYSA-N -1 3 401.199 3.502 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)NCc1ncccc1[O-] ZINC000473636290 994517890 /nfs/dbraw/zinc/51/78/90/994517890.db2.gz PANXKDGICDVXJI-GOSISDBHSA-N -1 3 409.873 3.618 20 0 HHADHM COC(=O)CCc1nnc([N-]C(=O)c2sc(-c3ccccc3C)nc2C)s1 ZINC000481797311 994644834 /nfs/dbraw/zinc/64/48/34/994644834.db2.gz RUYPEHUMLZRPDA-UHFFFAOYSA-N -1 3 402.501 3.636 20 0 HHADHM CCN1CCN(c2ccc(NC(=O)c3ccc(Br)c([O-])c3)c(C)c2)CC1 ZINC000481833469 994684144 /nfs/dbraw/zinc/68/41/44/994684144.db2.gz ZGOHHSUUCRRHEJ-UHFFFAOYSA-N -1 3 418.335 3.857 20 0 HHADHM COC(=O)c1cc(C)nc2nc(SCC[C@H](C)OCc3ccccc3)[n-]c(=O)c12 ZINC000473795195 994719810 /nfs/dbraw/zinc/71/98/10/994719810.db2.gz PVKMOAOIBBOSMD-AWEZNQCLSA-N -1 3 413.499 3.913 20 0 HHADHM O=C(NCC1(C(F)F)CC1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000473812952 994739422 /nfs/dbraw/zinc/73/94/22/994739422.db2.gz RIDBTIZEPXPCOT-UHFFFAOYSA-N -1 3 405.626 3.719 20 0 HHADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2c3c(ccc2Cl)OCC3)cc1Cl ZINC000481886046 994751989 /nfs/dbraw/zinc/75/19/89/994751989.db2.gz UWPXJQOTDWPTKD-UHFFFAOYSA-N -1 3 402.255 3.516 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)[C@H](Oc1ccc(F)c(F)c1)c1ccccc1 ZINC000481906330 994778873 /nfs/dbraw/zinc/77/88/73/994778873.db2.gz RPYJEBMZNAJHTD-OAHLLOKOSA-N -1 3 412.318 3.538 20 0 HHADHM Cc1ccc(C(=O)c2ccccc2C(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1C ZINC000481912792 994785412 /nfs/dbraw/zinc/78/54/12/994785412.db2.gz BQKXEYQPVFSAOE-UHFFFAOYSA-N -1 3 402.376 3.601 20 0 HHADHM O=C(NCc1coc(-c2cccs2)n1)NCc1ccc([O-])c(Br)c1 ZINC000481922907 994794934 /nfs/dbraw/zinc/79/49/34/994794934.db2.gz OFNXDQQSSRNTJL-UHFFFAOYSA-N -1 3 408.277 3.871 20 0 HHADHM CCOc1ccc(-c2nc(C)c(C(=O)Nc3cccc(-c4nnn[n-]4)c3)s2)cc1 ZINC000481924128 994796281 /nfs/dbraw/zinc/79/62/81/994796281.db2.gz PZUPEIQTHIOWKZ-UHFFFAOYSA-N -1 3 406.471 3.950 20 0 HHADHM CCOc1ccc(-c2nc(C)c(C(=O)Nc3cccc(-c4nn[n-]n4)c3)s2)cc1 ZINC000481924128 994796294 /nfs/dbraw/zinc/79/62/94/994796294.db2.gz PZUPEIQTHIOWKZ-UHFFFAOYSA-N -1 3 406.471 3.950 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3C(N)=O)cc2)ccc1F ZINC000481954608 994836795 /nfs/dbraw/zinc/83/67/95/994836795.db2.gz CAYXOPLAGNSMTF-UHFFFAOYSA-N -1 3 400.431 3.826 20 0 HHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3C(N)=O)cc2)cc1 ZINC000481967817 994856870 /nfs/dbraw/zinc/85/68/70/994856870.db2.gz YJCMKOUDWWTKMQ-UHFFFAOYSA-N -1 3 412.467 3.777 20 0 HHADHM CSc1nnc(CCC[N-]S(=O)(=O)c2cc(C)c(Cl)s2)n1CC(C)C ZINC000473904020 994863830 /nfs/dbraw/zinc/86/38/30/994863830.db2.gz RGYIVOAVZGSCRX-UHFFFAOYSA-N -1 3 423.029 3.590 20 0 HHADHM COc1ccccc1N1CCC([N-]S(=O)(=O)c2cc(C)c(Cl)s2)CC1 ZINC000473921012 994890799 /nfs/dbraw/zinc/89/07/99/994890799.db2.gz UCOCUKMFXKTRIU-UHFFFAOYSA-N -1 3 400.953 3.666 20 0 HHADHM CCSCc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)no1 ZINC000473925011 994896408 /nfs/dbraw/zinc/89/64/08/994896408.db2.gz XBQJAWVOJMTGCW-UHFFFAOYSA-N -1 3 423.438 3.570 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](CO)c3cccc(Br)c3)nc2)n1 ZINC000482004438 994906911 /nfs/dbraw/zinc/90/69/11/994906911.db2.gz BXQPZENPBUUUTH-MRXNPFEDSA-N -1 3 415.291 3.715 20 0 HHADHM O=C(NCCCn1ccc2ccccc21)NCc1ccc([O-])c(Br)c1 ZINC000482106479 995053006 /nfs/dbraw/zinc/05/30/06/995053006.db2.gz JZGJZLFEHUFERZ-UHFFFAOYSA-N -1 3 402.292 3.999 20 0 HHADHM Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000482134977 995084609 /nfs/dbraw/zinc/08/46/09/995084609.db2.gz HIBBOXLQZGXEOL-UHFFFAOYSA-N -1 3 407.865 3.634 20 0 HHADHM Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000482134977 995084617 /nfs/dbraw/zinc/08/46/17/995084617.db2.gz HIBBOXLQZGXEOL-UHFFFAOYSA-N -1 3 407.865 3.634 20 0 HHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NC[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000482196011 995173206 /nfs/dbraw/zinc/17/32/06/995173206.db2.gz BFHVUSVMUKDDTG-XJKSGUPXSA-N -1 3 408.424 3.580 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)C1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC000482207977 995191557 /nfs/dbraw/zinc/19/15/57/995191557.db2.gz FAYPRJFDZHKAKQ-UHFFFAOYSA-N -1 3 406.330 3.971 20 0 HHADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H](C)[C@@H](C)c2ccccc2)cc1 ZINC000474197930 995192362 /nfs/dbraw/zinc/19/23/62/995192362.db2.gz MKOGPTITVGQIOI-IAGOWNOFSA-N -1 3 424.588 3.699 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1cc(C(F)(F)F)ccc1Br ZINC000482214185 995198475 /nfs/dbraw/zinc/19/84/75/995198475.db2.gz PZEWZNFIJWXFBV-UHFFFAOYSA-N -1 3 417.107 3.535 20 0 HHADHM CCOC(=O)[C@@H](Cc1cccc2ccccc21)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000482215690 995201105 /nfs/dbraw/zinc/20/11/05/995201105.db2.gz WEUBDNMJEVXRJQ-JOCHJYFZSA-N -1 3 414.461 3.586 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1cc(Br)cc(C(F)(F)F)c1 ZINC000482217826 995202513 /nfs/dbraw/zinc/20/25/13/995202513.db2.gz UEKBWLLASFHIJO-UHFFFAOYSA-N -1 3 417.107 3.535 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1ccc(Br)c(C(F)(F)F)c1 ZINC000482239747 995222520 /nfs/dbraw/zinc/22/25/20/995222520.db2.gz FNZIBHQOEXWZOQ-UHFFFAOYSA-N -1 3 417.107 3.535 20 0 HHADHM Cc1nc(-c2ccc(Cl)s2)sc1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000482240947 995223228 /nfs/dbraw/zinc/22/32/28/995223228.db2.gz QAZZAZCBTLYMOI-UHFFFAOYSA-N -1 3 407.830 3.900 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000482242410 995224017 /nfs/dbraw/zinc/22/40/17/995224017.db2.gz MXWFZEQTRBDUSZ-DLBZAZTESA-N -1 3 416.403 3.822 20 0 HHADHM O=C(N[C@H]1CCN(c2ccccc2C(F)(F)F)C1)c1cc(=O)c2ccccc2[n-]1 ZINC000482265307 995243238 /nfs/dbraw/zinc/24/32/38/995243238.db2.gz WCFYKSLOVBPOMW-ZDUSSCGKSA-N -1 3 401.388 3.556 20 0 HHADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C)ccc2Cl)c(Br)c1 ZINC000474304752 995292683 /nfs/dbraw/zinc/29/26/83/995292683.db2.gz CHCFWZTWUYTECM-UHFFFAOYSA-N -1 3 418.696 3.998 20 0 HHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cc(F)c(F)cc1C(=O)c1ccccc1 ZINC000474409938 995376464 /nfs/dbraw/zinc/37/64/64/995376464.db2.gz FDNYHMDSONYFMC-UHFFFAOYSA-N -1 3 405.364 3.628 20 0 HHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cc(F)c(F)cc1C(=O)c1ccccc1 ZINC000474409938 995376467 /nfs/dbraw/zinc/37/64/67/995376467.db2.gz FDNYHMDSONYFMC-UHFFFAOYSA-N -1 3 405.364 3.628 20 0 HHADHM COc1cccc(Cl)c1-c1noc(C)c1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000474415718 995380653 /nfs/dbraw/zinc/38/06/53/995380653.db2.gz PSEWICSMUMUMMF-UHFFFAOYSA-N -1 3 410.821 3.744 20 0 HHADHM COc1cccc(Cl)c1-c1noc(C)c1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000474415718 995380662 /nfs/dbraw/zinc/38/06/62/995380662.db2.gz PSEWICSMUMUMMF-UHFFFAOYSA-N -1 3 410.821 3.744 20 0 HHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1 ZINC000474536723 995504042 /nfs/dbraw/zinc/50/40/42/995504042.db2.gz UTZLQRWSEYSEGY-UHFFFAOYSA-N -1 3 408.483 3.741 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)NCc1c(F)cccc1OC(F)F ZINC000474540496 995507581 /nfs/dbraw/zinc/50/75/81/995507581.db2.gz LBGSFSXSBFEBNR-UHFFFAOYSA-N -1 3 419.197 3.895 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1009842400 /nfs/dbraw/zinc/84/24/00/1009842400.db2.gz SXKHXZWWMGTBOB-UHFFFAOYSA-N -1 3 404.454 3.529 20 0 HHADHM Cc1ncc(CNC(=O)Nc2ncc(Cc3ccc(C(F)(F)F)cc3)s2)c(=O)[n-]1 ZINC000544232218 1009843735 /nfs/dbraw/zinc/84/37/35/1009843735.db2.gz RMDGCCGCFVBESX-UHFFFAOYSA-N -1 3 423.420 3.878 20 0 HHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3CCC[C@@H]3c3ccccn3)cs2)c1 ZINC000546891227 1009851716 /nfs/dbraw/zinc/85/17/16/1009851716.db2.gz DDBVBJMCLIIKHC-GOSISDBHSA-N -1 3 422.510 3.711 20 0 HHADHM O=C([N-]c1ncn(C2CCCCC2)n1)c1cn(-c2ccccc2C(F)(F)F)nn1 ZINC000544245728 1009855888 /nfs/dbraw/zinc/85/58/88/1009855888.db2.gz QNZYAILJYAEWLZ-UHFFFAOYSA-N -1 3 405.384 3.635 20 0 HHADHM CCCOc1ccc(-c2noc(-c3ccc([N-]S(C)(=O)=O)cc3)n2)cc1OC ZINC000546938921 1009897688 /nfs/dbraw/zinc/89/76/88/1009897688.db2.gz NYVYUECFPYZEHP-UHFFFAOYSA-N -1 3 403.460 3.573 20 0 HHADHM CC(C)[C@@H](NC(=O)c1cccs1)C(=O)N=c1nc(-c2cccc(Cl)c2)[n-]s1 ZINC000520966050 1010010432 /nfs/dbraw/zinc/01/04/32/1010010432.db2.gz 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ZINC000522262250 1010894131 /nfs/dbraw/zinc/89/41/31/1010894131.db2.gz LXNLEZRBQKJFAT-GFCCVEGCSA-N -1 3 413.528 3.652 20 0 HHADHM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCCCC3)cc2)cc1 ZINC000522528728 1011064711 /nfs/dbraw/zinc/06/47/11/1011064711.db2.gz LJCGXJFVVWABPG-UHFFFAOYSA-N -1 3 403.500 3.914 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CC3CCOCC3)ccc2C)cc1 ZINC000522692085 1011161051 /nfs/dbraw/zinc/16/10/51/1011161051.db2.gz UYHJJQSOGJDROT-UHFFFAOYSA-N -1 3 418.515 3.560 20 0 HHADHM O=C(CNC(=O)c1ccc([O-])cc1)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000540622148 1011273596 /nfs/dbraw/zinc/27/35/96/1011273596.db2.gz OGUWKBYCESVUPJ-OAHLLOKOSA-N -1 3 420.309 3.561 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]c2ccc(NC(=O)CN3CCCCCC3)cc2)c(C)o1 ZINC000540648921 1011300453 /nfs/dbraw/zinc/30/04/53/1011300453.db2.gz LAGYIIIMJQLONT-UHFFFAOYSA-N -1 3 405.520 3.512 20 0 HHADHM Cc1noc(C)c1S(=O)(=O)[N-]CCCCSc1ccccc1Br ZINC000522972092 1011420570 /nfs/dbraw/zinc/42/05/70/1011420570.db2.gz 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ZINC000541308028 1012015654 /nfs/dbraw/zinc/01/56/54/1012015654.db2.gz YQGVAADVXHMNLO-UHFFFAOYSA-N -1 3 421.849 3.810 20 0 HHADHM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-][C@@H](C2CCCCC2)C(F)(F)F)cc1 ZINC000541310144 1012017196 /nfs/dbraw/zinc/01/71/96/1012017196.db2.gz WZALNPISCCWHTE-KRWDZBQOSA-N -1 3 420.497 3.958 20 0 HHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCC(C)(C)CCCO)c2)cc1 ZINC000536805369 1012027856 /nfs/dbraw/zinc/02/78/56/1012027856.db2.gz HTEHVVBGYUMUST-UHFFFAOYSA-N -1 3 418.559 3.633 20 0 HHADHM O=C(NCc1ccc([O-])c(F)c1)N(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000523512821 1012037540 /nfs/dbraw/zinc/03/75/40/1012037540.db2.gz UAKWFUPZHFIXSC-UHFFFAOYSA-N -1 3 401.265 3.932 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(Br)c3ccccc23)c(C)o1 ZINC000536885308 1012135266 /nfs/dbraw/zinc/13/52/66/1012135266.db2.gz KDOUFJJHHVZFDT-UHFFFAOYSA-N -1 3 423.288 3.664 20 0 HHADHM CCCN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccc4c(c3)C[C@@H](C)O4)ccc21 ZINC000536907258 1012170997 /nfs/dbraw/zinc/17/09/97/1012170997.db2.gz 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COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)CCc3ccccc3)c2)cc1 ZINC000523710827 1012318335 /nfs/dbraw/zinc/31/83/35/1012318335.db2.gz BVUNFTFUHWPRHR-UHFFFAOYSA-N -1 3 424.522 3.745 20 0 HHADHM CSc1cccc(N(C)C(=O)CS(=O)(=O)[N-]c2ccc(OC(C)C)cc2)c1 ZINC000523843976 1012535896 /nfs/dbraw/zinc/53/58/96/1012535896.db2.gz OINMKLUIGJLURP-UHFFFAOYSA-N -1 3 408.545 3.600 20 0 HHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCc3cc(Br)cc(C)c3C2)c1 ZINC000537169934 1012574067 /nfs/dbraw/zinc/57/40/67/1012574067.db2.gz MLCWZXYBBFPSCZ-UHFFFAOYSA-N -1 3 403.276 3.620 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCC(C)(C)Oc2ccccc2)c1 ZINC000541727056 1012578172 /nfs/dbraw/zinc/57/81/72/1012578172.db2.gz PNFUOJWHMWDMLX-UHFFFAOYSA-N -1 3 409.442 3.528 20 0 HHADHM C[C@H](CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)c1nccs1 ZINC000541753199 1012612990 /nfs/dbraw/zinc/61/29/90/1012612990.db2.gz ZUWUGOARERDRBL-CYBMUJFWSA-N -1 3 419.503 3.617 20 0 HHADHM Cc1ccc(-c2csc3[n-]c(Cn4nc5ccccn5c4=O)nc(=O)c23)c(C)c1 ZINC000523947375 1012684963 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20 0 HHADHM COc1cc(-c2noc([C@H](CC(C)C)[N-]S(=O)(=O)c3ccc(C)cc3)n2)ccn1 ZINC000904593719 1071818191 /nfs/dbraw/zinc/81/81/91/1071818191.db2.gz LFQHAGWVQBNTTP-KRWDZBQOSA-N -1 3 416.503 3.514 20 0 HHADHM COc1cccc(C2(C[N-]S(=O)(=O)c3ccc(C(F)(F)F)nc3Cl)CC2)c1 ZINC001212032916 1071916301 /nfs/dbraw/zinc/91/63/01/1071916301.db2.gz NIYOGCDQJYVICK-UHFFFAOYSA-N -1 3 420.840 3.773 20 0 HHADHM CS(=O)(=O)[N-]c1ccc(-c2nc(-c3sccc3Br)no2)cc1 ZINC000904888694 1071922463 /nfs/dbraw/zinc/92/24/63/1071922463.db2.gz TYZQIJBXTHNQJN-UHFFFAOYSA-N -1 3 400.279 3.599 20 0 HHADHM N[C@@H](CCc1cc(=O)oc2cc([O-])ccc12)c1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC001212097995 1072076062 /nfs/dbraw/zinc/07/60/62/1072076062.db2.gz SWUCKOPWSNBJCJ-HNNXBMFYSA-N -1 3 417.343 3.599 20 0 HHADHM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-][C@H](c1ccc(C(C)C)cc1)C(C)C ZINC000912528020 1072245969 /nfs/dbraw/zinc/24/59/69/1072245969.db2.gz LWDHOHHDHXSEAX-SFHVURJKSA-N -1 3 407.536 3.694 20 0 HHADHM C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl)c1nc(-c2ccccc2)no1 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/nfs/dbraw/zinc/63/78/09/1072637809.db2.gz ONWCZMUBEQKMAO-OAHLLOKOSA-N -1 3 424.950 3.680 20 0 HHADHM Cc1c(C(=O)[N-]c2nnc(C(C)(C)C)s2)nnn1-c1cccc(Br)c1 ZINC000615153430 1072707001 /nfs/dbraw/zinc/70/70/01/1072707001.db2.gz SNJQPEVMFYYYRJ-UHFFFAOYSA-N -1 3 421.324 3.740 20 0 HHADHM CCC[C@H](C)N1Cc2cccc([N-]S(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)c2C1 ZINC000479139017 1072750499 /nfs/dbraw/zinc/75/04/99/1072750499.db2.gz IOYDMAZDNKYCHG-HNNXBMFYSA-N -1 3 411.527 3.833 20 0 HHADHM CS(=O)(=O)c1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)cc1 ZINC000588078167 1072783829 /nfs/dbraw/zinc/78/38/29/1072783829.db2.gz MFVGANGCFHVHHX-UHFFFAOYSA-N -1 3 421.471 3.822 20 0 HHADHM Cc1cc2cn[nH]c2c(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000588084558 1072787473 /nfs/dbraw/zinc/78/74/73/1072787473.db2.gz BOSQDHIDXJJGLX-UHFFFAOYSA-N -1 3 406.467 3.924 20 0 HHADHM COc1ccccc1-c1nc([N-]C(=O)c2csc(-c3ccc4c(c3)OCO4)n2)n[nH]1 ZINC000588090137 1072792376 /nfs/dbraw/zinc/79/23/76/1072792376.db2.gz DHXIKIIERRYCFC-UHFFFAOYSA-N -1 3 421.438 3.585 20 0 HHADHM O=C([N-]c1nnc(C2CC2)s1)c1ncc(Br)cc1Br ZINC000554960230 1073012429 /nfs/dbraw/zinc/01/24/29/1073012429.db2.gz HETJLHBVOKOTHC-UHFFFAOYSA-N -1 3 404.087 3.588 20 0 HHADHM Cc1nc(C)c(CCC(=O)N2CCc3cc(Cl)cc(Br)c32)c(=O)[n-]1 ZINC000554943344 1072992032 /nfs/dbraw/zinc/99/20/32/1072992032.db2.gz VTQMSNDGJQRDBW-UHFFFAOYSA-N -1 3 410.699 3.737 20 0 HHADHM CCc1nnc(C[N-]S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1 ZINC000554964089 1072997965 /nfs/dbraw/zinc/99/79/65/1072997965.db2.gz JDRKGJATJXBUSO-UHFFFAOYSA-N -1 3 419.372 3.617 20 0 HHADHM CC[C@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000555241187 1073284441 /nfs/dbraw/zinc/28/44/41/1073284441.db2.gz IDXHFNFGDUSFTI-KRWDZBQOSA-N -1 3 409.534 3.610 20 0 HHADHM COCCOc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2C)cc1C ZINC000588833735 1073296423 /nfs/dbraw/zinc/29/64/23/1073296423.db2.gz BYCKVTODIGWTOG-UHFFFAOYSA-N -1 3 414.321 3.892 20 0 HHADHM CO[C@@H](C)c1cccc(NC(=O)CS(=O)(=O)[N-]c2ccc(OC(C)C)cc2)c1 ZINC000588883752 1073328433 /nfs/dbraw/zinc/32/84/33/1073328433.db2.gz DAXFCANWAGYQQH-HNNXBMFYSA-N -1 3 406.504 3.562 20 0 HHADHM O=C(Nc1ccc(CN2CCc3ccccc32)cc1)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000588912548 1073335301 /nfs/dbraw/zinc/33/53/01/1073335301.db2.gz RCEIXONEOUYXPU-UHFFFAOYSA-N -1 3 412.449 3.777 20 0 HHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)N[C@@H]2CC3CCC2CC3)CC1 ZINC000555364893 1073374141 /nfs/dbraw/zinc/37/41/41/1073374141.db2.gz BBZCMHSRAVAELT-MQBCKMQZSA-N -1 3 405.926 3.984 20 0 HHADHM O=C(/C=C/c1cccc(OC2CCCC2)c1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000760763425 1073567889 /nfs/dbraw/zinc/56/78/89/1073567889.db2.gz SUUXGHFMLCKGIZ-MDWZMJQESA-N -1 3 420.509 3.711 20 0 HHADHM Cc1cccc(COc2cccc(CC(=O)NCc3ccc(-c4nnn[n-]4)cc3)c2)c1 ZINC000600200124 1073624574 /nfs/dbraw/zinc/62/45/74/1073624574.db2.gz YBSKKBNCKHKYEK-UHFFFAOYSA-N -1 3 413.481 3.613 20 0 HHADHM Cc1cccc(COc2cccc(CC(=O)NCc3ccc(-c4nn[n-]n4)cc3)c2)c1 ZINC000600200124 1073624578 /nfs/dbraw/zinc/62/45/78/1073624578.db2.gz YBSKKBNCKHKYEK-UHFFFAOYSA-N -1 3 413.481 3.613 20 0 HHADHM CCOC(=O)c1ncc(NC(=O)C(C)(C)c2csc(-c3c(F)cccc3F)n2)[n-]1 ZINC000590342941 1073736882 /nfs/dbraw/zinc/73/68/82/1073736882.db2.gz SZGJBMBNLBUGJW-UHFFFAOYSA-N -1 3 420.441 3.904 20 0 HHADHM CCOC(=O)c1nc(NC(=O)C(C)(C)c2csc(-c3c(F)cccc3F)n2)c[n-]1 ZINC000590342941 1073736888 /nfs/dbraw/zinc/73/68/88/1073736888.db2.gz SZGJBMBNLBUGJW-UHFFFAOYSA-N -1 3 420.441 3.904 20 0 HHADHM CCOC(=O)Cc1c2ccccc2[nH]c1C(=O)Nc1cc(Br)ccc1[O-] ZINC000590443344 1073838008 /nfs/dbraw/zinc/83/80/08/1073838008.db2.gz UWGFTMWVEFCZCQ-UHFFFAOYSA-N -1 3 417.259 3.994 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)CC3CCC3)c2)cc1 ZINC000600482400 1073923650 /nfs/dbraw/zinc/92/36/50/1073923650.db2.gz SDBBBLWZFISZMR-UHFFFAOYSA-N -1 3 402.516 3.677 20 0 HHADHM CC(C)n1cc(C(=O)[N-]c2nnc(-c3cc(Br)ccc3F)s2)nn1 ZINC000555937486 1073983824 /nfs/dbraw/zinc/98/38/24/1073983824.db2.gz DANOWDXDIKFKSF-UHFFFAOYSA-N -1 3 411.260 3.531 20 0 HHADHM COCCOc1c(Cl)cc(S(=O)(=O)[N-]C2CC(C(F)(F)F)C2)cc1Cl ZINC000573039927 1074070248 /nfs/dbraw/zinc/07/02/48/1074070248.db2.gz IMXNERHEYMCNML-UHFFFAOYSA-N -1 3 422.252 3.638 20 0 HHADHM O=C(CCCc1nccs1)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001649004949 1074070477 /nfs/dbraw/zinc/07/04/77/1074070477.db2.gz CXMOQVZPGMXUCU-CYBMUJFWSA-N -1 3 411.449 3.665 20 0 HHADHM CS(=O)(=O)[N-]c1cccc(F)c1CNC(=O)CCCc1ccc2c(c1)CCCC2 ZINC001126924636 1074081156 /nfs/dbraw/zinc/08/11/56/1074081156.db2.gz UGHSYJCVMWOHPF-UHFFFAOYSA-N -1 3 418.534 3.715 20 0 HHADHM Cc1ccc([C@H](CNC(=O)c2nn(-c3ccccc3F)cc2[O-])N2CCCC2)cc1 ZINC000591100267 1074112303 /nfs/dbraw/zinc/11/23/03/1074112303.db2.gz WHPGWECTTOJNDX-FQEVSTJZSA-N -1 3 408.477 3.592 20 0 HHADHM CSCC[C@H]([N-]S(=O)(=O)c1ccc(C)cc1)c1nc(Cc2ccccc2)no1 ZINC000904316057 1074196248 /nfs/dbraw/zinc/19/62/48/1074196248.db2.gz WYGNZRIEQAGBLH-SFHVURJKSA-N -1 3 417.556 3.742 20 0 HHADHM C[C@H](OC(=O)c1ccc(I)c([O-])c1)c1nc(C(C)(C)C)no1 ZINC000760818257 1074220544 /nfs/dbraw/zinc/22/05/44/1074220544.db2.gz OWWDPJHDBPFBJO-QMMMGPOBSA-N -1 3 416.215 3.595 20 0 HHADHM Cc1cccc2c1CC[C@H]2NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000591314976 1074243857 /nfs/dbraw/zinc/24/38/57/1074243857.db2.gz VNJFZHSPNBFGKK-GOSISDBHSA-N -1 3 413.474 3.680 20 0 HHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)Cc1cccc2cccnc21 ZINC000591367653 1074268355 /nfs/dbraw/zinc/26/83/55/1074268355.db2.gz FHARLUYRBHQFER-UHFFFAOYSA-N -1 3 423.416 3.806 20 0 HHADHM Cc1nc(C)c(CC(=O)N[C@H]2c3cc(Br)ccc3SC[C@H]2C)c(=O)[n-]1 ZINC000591370250 1074270547 /nfs/dbraw/zinc/27/05/47/1074270547.db2.gz OBQJQJZMQYYEII-VVVCHXIZSA-N -1 3 422.348 3.703 20 0 HHADHM COc1ccccc1CC(C)(C)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000591394480 1074290275 /nfs/dbraw/zinc/29/02/75/1074290275.db2.gz KYDXDWNTQPONNO-UHFFFAOYSA-N -1 3 404.351 3.819 20 0 HHADHM COc1ccccc1Oc1ccc(NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1F ZINC000591443898 1074301376 /nfs/dbraw/zinc/30/13/76/1074301376.db2.gz GKQYDYDPVIZDJV-UHFFFAOYSA-N -1 3 406.369 3.763 20 0 HHADHM COc1ccc(COc2cccc(F)c2)cc1NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000591449887 1074304242 /nfs/dbraw/zinc/30/42/42/1074304242.db2.gz YIIZSTYQZWTZFZ-UHFFFAOYSA-N -1 3 420.396 3.549 20 0 HHADHM Cc1ccnc(Br)c1[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000760893204 1074562082 /nfs/dbraw/zinc/56/20/82/1074562082.db2.gz GRTLRZYNXZXADH-UHFFFAOYSA-N -1 3 424.089 3.855 20 0 HHADHM CC[C@H](C)Oc1cccc(NC(=O)C(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000573985911 1074748998 /nfs/dbraw/zinc/74/89/98/1074748998.db2.gz KULIMFLSBYDTRR-LBPRGKRZSA-N -1 3 421.291 3.587 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(N4CCOCC4)c(F)c3)c2)n1 ZINC000592599117 1074796172 /nfs/dbraw/zinc/79/61/72/1074796172.db2.gz CMEMFKROGUQJJW-UHFFFAOYSA-N -1 3 422.460 3.640 20 0 HHADHM O=S(=O)([N-][C@@H]1CCN(c2ccc(F)cc2F)C1)c1cc(C(F)(F)F)ccc1F ZINC000592824821 1075115584 /nfs/dbraw/zinc/11/55/84/1075115584.db2.gz OYHVNLFWNWAEJE-GFCCVEGCSA-N -1 3 424.366 3.680 20 0 HHADHM COc1ccc(/C=C2/N=C(c3cc(F)cc(F)c3)OC2=O)c(Br)c1[O-] ZINC000761015640 1075188387 /nfs/dbraw/zinc/18/83/87/1075188387.db2.gz PYEGFJHGBCVQFV-WUXMJOGZSA-N -1 3 410.170 3.786 20 0 HHADHM COc1ccc(/C=C2\N=C(c3ccc(F)c(F)c3)OC2=O)c(Br)c1[O-] ZINC000761016151 1075191310 /nfs/dbraw/zinc/19/13/10/1075191310.db2.gz UKZRVIZVHPQDBF-GHXNOFRVSA-N -1 3 410.170 3.786 20 0 HHADHM COc1ccc(COCCSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cc1 ZINC000594407190 1075307059 /nfs/dbraw/zinc/30/70/59/1075307059.db2.gz WIHZAMTUZQTVQJ-UHFFFAOYSA-N -1 3 408.483 3.839 20 0 HHADHM O=S(=O)(CCOCC(F)(F)F)[N-]c1cc(C(F)(F)F)ccc1-n1cccc1 ZINC000575102131 1075477848 /nfs/dbraw/zinc/47/78/48/1075477848.db2.gz QWQHAGQCLRWUTP-UHFFFAOYSA-N -1 3 416.343 3.817 20 0 HHADHM CC(C)OC[C@@H](OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)c1cccc(F)c1 ZINC000761167369 1075552125 /nfs/dbraw/zinc/55/21/25/1075552125.db2.gz GRUSQHWGRCERFE-GOSISDBHSA-N -1 3 413.442 3.659 20 0 HHADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3cn4cccnc4n3)c2)c(C)c1 ZINC000601433011 1075613874 /nfs/dbraw/zinc/61/38/74/1075613874.db2.gz LEWXLBRSROLHDZ-UHFFFAOYSA-N -1 3 408.483 3.904 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3cn4cccnc4n3)c2)c(C)c1 ZINC000601433006 1075613889 /nfs/dbraw/zinc/61/38/89/1075613889.db2.gz JJVXRCSFOCJMJY-UHFFFAOYSA-N -1 3 408.483 3.823 20 0 HHADHM CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)Nc1ccc(Br)cc1[O-] ZINC000601713378 1075645635 /nfs/dbraw/zinc/64/56/35/1075645635.db2.gz CQDLFAHPIDFEOX-MRXNPFEDSA-N -1 3 405.292 3.621 20 0 HHADHM CCc1oc2ccccc2c1C(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001263628369 939829190 /nfs/dbraw/zinc/82/91/90/939829190.db2.gz SCNAKCLKWQHJDQ-DEOSSOPVSA-N -1 3 406.482 3.844 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3ccc(N4CCCCC4=O)cc3)nc2)n1 ZINC000301170141 970785526 /nfs/dbraw/zinc/78/55/26/970785526.db2.gz JRJOFZNXYAUSKB-UHFFFAOYSA-N -1 3 403.486 3.936 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](C)c3cccc(N4CCOC4=O)c3)nc2)n1 ZINC000301190385 970797523 /nfs/dbraw/zinc/79/75/23/970797523.db2.gz YLYZDISRKODAHM-AWEZNQCLSA-N -1 3 405.458 3.936 20 0 HHADHM Cc1nc(-c2ccc(N3CCN(C/C=C/c4ccccc4)CC3)nc2)[n-]c(=O)c1C ZINC000301359003 970885927 /nfs/dbraw/zinc/88/59/27/970885927.db2.gz NHXAFAHTAWXDIR-RMKNXTFCSA-N -1 3 401.514 3.696 20 0 HHADHM Cc1noc(-c2cccnc2N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)n1 ZINC000301368768 970891053 /nfs/dbraw/zinc/89/10/53/970891053.db2.gz OTJQQWFFAKVPII-UHFFFAOYSA-N -1 3 413.865 3.654 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(N(C)Cc3cc(Br)cn3C)nc2)n1 ZINC000301629077 971008156 /nfs/dbraw/zinc/00/81/56/971008156.db2.gz IAFJDBQNCOTMPB-UHFFFAOYSA-N -1 3 402.296 3.544 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]3C)nc2)n1 ZINC000301800852 971070809 /nfs/dbraw/zinc/07/08/09/971070809.db2.gz VWNATMZSCYBKDU-YOEHRIQHSA-N -1 3 413.522 3.689 20 0 HHADHM COCc1nc2scc(-c3ccccc3)c2c(N2CCc3nc[n-]c(=O)c3C2)n1 ZINC000301804960 971071411 /nfs/dbraw/zinc/07/14/11/971071411.db2.gz VRQLQTBIFAQUAW-UHFFFAOYSA-N -1 3 405.483 3.563 20 0 HHADHM O=C(c1ccccc1[O-])N1CCN(c2ccnc3ccc(Br)cc32)CC1 ZINC000301896632 971103952 /nfs/dbraw/zinc/10/39/52/971103952.db2.gz ZMEIBMGDQVIXIO-UHFFFAOYSA-N -1 3 412.287 3.665 20 0 HHADHM [O-]c1ccc(CNc2ccc3nnc(-c4ccsc4)n3n2)cc1Br ZINC000302353675 971226555 /nfs/dbraw/zinc/22/65/55/971226555.db2.gz BFNINNULQVHAGE-UHFFFAOYSA-N -1 3 402.277 3.933 20 0 HHADHM COc1ccc([C@@H](C)[N-]S(=O)(=O)c2c(F)cccc2F)cc1Br ZINC000302812096 971330484 /nfs/dbraw/zinc/33/04/84/971330484.db2.gz RSBAVJCNBQROAN-SECBINFHSA-N -1 3 406.248 3.775 20 0 HHADHM Cc1nnc([C@@H]2Cc3ccccc3CN2Cc2cc(=O)oc3c(C)c([O-])ccc23)o1 ZINC000303014123 971455061 /nfs/dbraw/zinc/45/50/61/971455061.db2.gz XTXYZYWOGMTWFV-IBGZPJMESA-N -1 3 403.438 3.798 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H]3CCCN3C(=O)CC(C)(C)C)c2)n1 ZINC000303030717 971466923 /nfs/dbraw/zinc/46/69/23/971466923.db2.gz NYJFMSCGOKHHMX-SFHVURJKSA-N -1 3 410.518 3.777 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(CC(F)F)C3CC3)ccc2C)cc1 ZINC000303271936 971590600 /nfs/dbraw/zinc/59/06/00/971590600.db2.gz GGLLYHJOQNZUIO-UHFFFAOYSA-N -1 3 424.469 3.674 20 0 HHADHM CN(C)[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1c(F)cccc1F ZINC000303738297 971992221 /nfs/dbraw/zinc/99/22/21/971992221.db2.gz XNJDCYHDJCLFJJ-CQSZACIVSA-N -1 3 409.285 3.853 20 0 HHADHM CN(C)[C@H](C[N-]S(=O)(=O)c1cc(Br)ccc1Cl)c1ccsc1 ZINC000524314270 1013130640 /nfs/dbraw/zinc/13/06/40/1013130640.db2.gz KDGOOFFHHKYGAS-CYBMUJFWSA-N -1 3 423.785 3.745 20 0 HHADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccccc2)cc1 ZINC000303836894 972372624 /nfs/dbraw/zinc/37/26/24/972372624.db2.gz RWKRRUOESDUGTC-HXUWFJFHSA-N -1 3 422.572 3.754 20 0 HHADHM CCC[C@H](CCc1ccccc1)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000303845669 972384910 /nfs/dbraw/zinc/38/49/10/972384910.db2.gz JDLRYCQABWARBY-GOSISDBHSA-N -1 3 418.534 3.798 20 0 HHADHM CCc1cc(=O)c2cc([N-]S(=O)(=O)c3ccc(OCC(F)F)cc3)ccc2[nH]1 ZINC000542233378 1013188539 /nfs/dbraw/zinc/18/85/39/1013188539.db2.gz MYCKYTVIBJXHHO-UHFFFAOYSA-N -1 3 408.426 3.535 20 0 HHADHM O=S(=O)(Cc1cc(-c2ccc(F)cc2)no1)[N-]c1ccc(Cn2cccn2)cc1 ZINC000542234069 1013189199 /nfs/dbraw/zinc/18/91/99/1013189199.db2.gz KRBBMGWVZWHDLF-UHFFFAOYSA-N -1 3 412.446 3.667 20 0 HHADHM Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000303905580 972475869 /nfs/dbraw/zinc/47/58/69/972475869.db2.gz LZZQRQPMQQRHCW-GOSISDBHSA-N -1 3 409.530 3.755 20 0 HHADHM O=S(=O)([N-]c1ccc(-n2cccn2)c(Cl)c1)c1ccc(OCC(F)F)cc1 ZINC000542236720 1013194002 /nfs/dbraw/zinc/19/40/02/1013194002.db2.gz RCIPJYJIIUKGAV-UHFFFAOYSA-N -1 3 413.833 3.970 20 0 HHADHM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@H](C)CC)cc1F ZINC000537645823 1013206844 /nfs/dbraw/zinc/20/68/44/1013206844.db2.gz AXHKJMBYXCJOIN-RDTXWAMCSA-N -1 3 420.572 3.567 20 0 HHADHM O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc21)[N-]C(=O)c1cccs1 ZINC000007156619 961042028 /nfs/dbraw/zinc/04/20/28/961042028.db2.gz OWFCDRYEZKLMSD-UHFFFAOYSA-N -1 3 406.419 3.670 20 0 HHADHM Cc1ncc(CNC(=O)NCCc2cccc(OCCCc3ccccc3)c2)c(=O)[n-]1 ZINC000542264572 1013224955 /nfs/dbraw/zinc/22/49/55/1013224955.db2.gz ZZAOVIVLKACJAX-UHFFFAOYSA-N -1 3 420.513 3.544 20 0 HHADHM O=c1[n-]nc(SCc2csc(-c3ccc(Cl)cc3)n2)n1C[C@@H]1CCCO1 ZINC000007350491 961139760 /nfs/dbraw/zinc/13/97/60/961139760.db2.gz FYYPAOBLMILXAZ-AWEZNQCLSA-N -1 3 408.936 3.820 20 0 HHADHM CC(C)Cc1ccc(C(=O)C2CCN(C(=O)c3cc(=O)[n-]c(C4CC4)n3)CC2)cc1 ZINC000553314536 1013267700 /nfs/dbraw/zinc/26/77/00/1013267700.db2.gz OLRDEHTZOHUYJF-UHFFFAOYSA-N -1 3 407.514 3.993 20 0 HHADHM CS(=O)(=O)[N-]c1ccc(C(=O)Oc2ccc(NC(=O)c3ccccc3)cc2)cc1 ZINC000010393764 961807741 /nfs/dbraw/zinc/80/77/41/961807741.db2.gz WDMOAWORMQVXIU-UHFFFAOYSA-N -1 3 410.451 3.530 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC(OC3CCCC3)CC2)c1 ZINC000537735564 1013296542 /nfs/dbraw/zinc/29/65/42/1013296542.db2.gz CKLOOCFSBSRIHH-UHFFFAOYSA-N -1 3 413.474 3.505 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CC[C@H](c3ccc(C)cc3)C2)cc1OC ZINC000542360349 1013317258 /nfs/dbraw/zinc/31/72/58/1013317258.db2.gz MSNKXYFWFWZZBT-KRWDZBQOSA-N -1 3 417.531 3.787 20 0 HHADHM CCN(CC)C(=O)c1ccc(NC(=O)COC(=O)c2cc(Cl)c(Cl)[n-]2)cc1 ZINC000011809988 962194036 /nfs/dbraw/zinc/19/40/36/962194036.db2.gz KWEMXEUEXTWXQL-UHFFFAOYSA-N -1 3 412.273 3.599 20 0 HHADHM Cc1ncc(CNC(=O)Nc2ccc(Br)cc2C(F)(F)F)c(=O)[n-]1 ZINC000542364699 1013320923 /nfs/dbraw/zinc/32/09/23/1013320923.db2.gz QAUGODCOTJATTC-UHFFFAOYSA-N -1 3 405.174 3.594 20 0 HHADHM Cc1ncc(CNC(=O)[C@@H](Sc2ccc(F)c(F)c2)c2ccccc2)c(=O)[n-]1 ZINC000542385140 1013339144 /nfs/dbraw/zinc/33/91/44/1013339144.db2.gz LIKJGLAGMWNPOD-SFHVURJKSA-N -1 3 401.438 3.919 20 0 HHADHM O=C(N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2)c1cc(=O)[n-]c(C2CC2)n1 ZINC000553425236 1013344051 /nfs/dbraw/zinc/34/40/51/1013344051.db2.gz KHCGAKOAAIBDHN-QFIPXVFZSA-N -1 3 401.466 3.904 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccnc3)ccc2C)cc1 ZINC000015436370 962761956 /nfs/dbraw/zinc/76/19/56/962761956.db2.gz QJUOWKIOMOHQOF-UHFFFAOYSA-N -1 3 411.483 3.842 20 0 HHADHM COc1ccc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)ccc2C)cn1 ZINC000015617214 962815826 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/nfs/dbraw/zinc/47/60/58/973476058.db2.gz SZASWSWFPQWBQX-UHFFFAOYSA-N -1 3 418.497 3.849 20 0 HHADHM Cc1c(C(=O)[N-]c2nnc(Cc3cccc(F)c3)s2)nnn1-c1ccc(C)cc1 ZINC000410011030 973491906 /nfs/dbraw/zinc/49/19/06/973491906.db2.gz QPSJYZYIJOEIHT-UHFFFAOYSA-N -1 3 408.462 3.718 20 0 HHADHM Cc1cc(O[C@H]2CCN(C)C2=O)ccc1[N-]S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000410408506 974007564 /nfs/dbraw/zinc/00/75/64/974007564.db2.gz TUQMAMBSHSFQBI-NRFANRHFSA-N -1 3 416.543 3.604 20 0 HHADHM Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC000410409844 974009032 /nfs/dbraw/zinc/00/90/32/974009032.db2.gz YRNNLHVEJBXZKO-HXUWFJFHSA-N -1 3 402.516 3.529 20 0 HHADHM O=C1CCN1c1ccc([N-]S(=O)(=O)c2ccc(OCc3ccccc3)cc2)cc1 ZINC000410419052 974017283 /nfs/dbraw/zinc/01/72/83/974017283.db2.gz OHNMWVDTNRPLQK-UHFFFAOYSA-N -1 3 408.479 3.803 20 0 HHADHM CC(C)(C)c1nc2ccc(S(=O)(=O)[N-]c3ccc(C(N)=O)cc3F)cc2s1 ZINC000425991663 974104909 /nfs/dbraw/zinc/10/49/09/974104909.db2.gz XMARTKPGQHISOZ-UHFFFAOYSA-N -1 3 407.492 3.633 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ncccc3C)ccc2C)cc1 ZINC000426052273 974174182 /nfs/dbraw/zinc/17/41/82/974174182.db2.gz SGRUQLBCGSXTFL-UHFFFAOYSA-N -1 3 411.483 3.760 20 0 HHADHM CC[C@@H](CO)N(Cc1ccccc1)C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000426057733 974180168 /nfs/dbraw/zinc/18/01/68/974180168.db2.gz BUXKTWGRKLCGGZ-FQEVSTJZSA-N -1 3 406.486 3.963 20 0 HHADHM CCc1ccc(C(C)(C)C(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)cc1 ZINC000426170960 974281375 /nfs/dbraw/zinc/28/13/75/974281375.db2.gz FTJKZBXQKBJJPA-UHFFFAOYSA-N -1 3 404.532 3.936 20 0 HHADHM COc1ccc(Br)cc1NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000426200796 974308358 /nfs/dbraw/zinc/30/83/58/974308358.db2.gz JKIVMKUWDDXRPQ-UHFFFAOYSA-N -1 3 405.223 3.999 20 0 HHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@H]1CCc2sc(Cl)cc21 ZINC000426531826 974510475 /nfs/dbraw/zinc/51/04/75/974510475.db2.gz JDNSIZIREPWRKB-AWEZNQCLSA-N -1 3 400.891 3.614 20 0 HHADHM O=C([O-])[C@H](CNCc1cn(-c2ccc(F)cc2Cl)nn1)Cc1cccc(Cl)c1 ZINC000426677275 974595949 /nfs/dbraw/zinc/59/59/49/974595949.db2.gz KZIOJENTEOFONJ-ZDUSSCGKSA-N -1 3 423.275 3.746 20 0 HHADHM Cn1c(CN[C@H](CSCCc2ccccc2)C(=O)[O-])nc2ccc(Cl)cc21 ZINC000426719618 974614394 /nfs/dbraw/zinc/61/43/94/974614394.db2.gz IDHOYAKXXQSZDU-QGZVFWFLSA-N -1 3 403.935 3.745 20 0 HHADHM C[C@H](C(=O)[O-])[C@@H](NCc1cc(Br)c2c(c1)OCCO2)c1ccccc1 ZINC000426721979 974615831 /nfs/dbraw/zinc/61/58/31/974615831.db2.gz UKZUMMBVAGZICZ-YVEFUNNKSA-N -1 3 406.276 3.772 20 0 HHADHM O=C([O-])[C@H](Cc1ccc2c(c1)OCCCO2)NCc1csc(-c2ccccc2)n1 ZINC000426724002 974617190 /nfs/dbraw/zinc/61/71/90/974617190.db2.gz OZINBCGJEUSHER-SFHVURJKSA-N -1 3 410.495 3.757 20 0 HHADHM COc1ccc([C@@H](CCC(=O)[O-])NCc2cc3c(cc2SC)OCCO3)cc1 ZINC000426736072 974624142 /nfs/dbraw/zinc/62/41/42/974624142.db2.gz HXBMRICVKIGICF-QGZVFWFLSA-N -1 3 403.500 3.884 20 0 HHADHM COc1ccc(C[NH2+][C@@H](CCC(=O)[O-])Cc2ccccc2)c(Br)c1[O-] ZINC000426739449 974626572 /nfs/dbraw/zinc/62/65/72/974626572.db2.gz CHQOEGBLHFCXQN-HNNXBMFYSA-N -1 3 408.292 3.729 20 0 HHADHM COc1cc2c(c(CN[C@H](CSCCc3ccccc3)C(=O)[O-])c1)O[C@@H](C)C2 ZINC000426743832 974630043 /nfs/dbraw/zinc/63/00/43/974630043.db2.gz PHXWGJINLMWYDF-MGPUTAFESA-N -1 3 401.528 3.537 20 0 HHADHM COc1c(Cl)cc(Cl)cc1CN[C@H](CN1CCCc2ccccc21)C(=O)[O-] ZINC000426744722 974630561 /nfs/dbraw/zinc/63/05/61/974630561.db2.gz RNDMZXLONJLXKE-QGZVFWFLSA-N -1 3 409.313 3.998 20 0 HHADHM O=C([O-])[C@H](CN1CCCc2ccccc21)NCc1cc(F)ccc1Br ZINC000426747805 974632381 /nfs/dbraw/zinc/63/23/81/974632381.db2.gz RVYARRSFYVAWFE-KRWDZBQOSA-N -1 3 407.283 3.584 20 0 HHADHM Cc1ccc(-c2ncc(CN[C@H](Cn3ccc(C(F)(F)F)n3)C(=O)[O-])s2)cc1 ZINC000426749702 974634013 /nfs/dbraw/zinc/63/40/13/974634013.db2.gz HSWSZGFTYMCSIN-CQSZACIVSA-N -1 3 410.421 3.577 20 0 HHADHM COc1cc(C[C@@H](NCc2csc(-c3ccsc3)n2)C(=O)[O-])cc(OC)c1 ZINC000426793951 974665104 /nfs/dbraw/zinc/66/51/04/974665104.db2.gz SACMAETYYOUYDB-QGZVFWFLSA-N -1 3 404.513 3.674 20 0 HHADHM COc1ccc(CN[C@H](CCCc2ccccc2)C(=O)[O-])c(Br)c1O ZINC000426799637 974669377 /nfs/dbraw/zinc/66/93/77/974669377.db2.gz JBSJFCJXGLKJKH-OAHLLOKOSA-N -1 3 408.292 3.729 20 0 HHADHM Cc1nn(-c2ccc(Br)cc2)cc1CN[C@@H](C(=O)[O-])c1ccc(O)cc1 ZINC000426808577 974675564 /nfs/dbraw/zinc/67/55/64/974675564.db2.gz NIEDOBAMVDJEPB-GOSISDBHSA-N -1 3 416.275 3.564 20 0 HHADHM C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000427063990 974870176 /nfs/dbraw/zinc/87/01/76/974870176.db2.gz HFOCIVVNPOWCMC-OAHLLOKOSA-N -1 3 414.469 3.587 20 0 HHADHM C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000427063990 974870181 /nfs/dbraw/zinc/87/01/81/974870181.db2.gz HFOCIVVNPOWCMC-OAHLLOKOSA-N -1 3 414.469 3.587 20 0 HHADHM CC(C)Oc1cc(Br)cc(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)c1 ZINC000427067086 974872356 /nfs/dbraw/zinc/87/23/56/974872356.db2.gz LFLMNAJRAKUJLR-UHFFFAOYSA-N -1 3 416.279 3.593 20 0 HHADHM CC(C)Oc1cc(Br)cc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)c1 ZINC000427067086 974872359 /nfs/dbraw/zinc/87/23/59/974872359.db2.gz LFLMNAJRAKUJLR-UHFFFAOYSA-N -1 3 416.279 3.593 20 0 HHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000427068747 974874161 /nfs/dbraw/zinc/87/41/61/974874161.db2.gz CWKRTROANDYAIX-UHFFFAOYSA-N -1 3 401.392 3.870 20 0 HHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000427068747 974874167 /nfs/dbraw/zinc/87/41/67/974874167.db2.gz CWKRTROANDYAIX-UHFFFAOYSA-N -1 3 401.392 3.870 20 0 HHADHM C[C@@H](c1ccc(Br)cc1)[S@@](=O)Cc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000427195025 974969833 /nfs/dbraw/zinc/96/98/33/974969833.db2.gz ZOUOPRUFRQCNIS-FHOATMSYSA-N -1 3 409.227 3.973 20 0 HHADHM C[C@H](c1ccc(Br)cc1)[S@](=O)Cc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000427195026 974969927 /nfs/dbraw/zinc/96/99/27/974969927.db2.gz ZOUOPRUFRQCNIS-JRSYYBBYSA-N -1 3 409.227 3.973 20 0 HHADHM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000427294525 975031551 /nfs/dbraw/zinc/03/15/51/975031551.db2.gz FLJZQMFKBOEZRL-IAGOWNOFSA-N -1 3 402.491 3.889 20 0 HHADHM O=C(Nc1ncccc1[O-])c1cc(I)c(Cl)cc1Cl ZINC000427455329 975127394 /nfs/dbraw/zinc/12/73/94/975127394.db2.gz BHTLNGAAKSDYFI-UHFFFAOYSA-N -1 3 409.010 3.951 20 0 HHADHM COc1ccccc1-c1noc([C@H](C)[N-]S(=O)(=O)C[C@H](C)c2ccccc2)n1 ZINC000427836742 975314450 /nfs/dbraw/zinc/31/44/50/975314450.db2.gz OZLKSGDZCXIWMW-GJZGRUSLSA-N -1 3 401.488 3.529 20 0 HHADHM CC(C)[C@H]([N-]S(=O)(=O)C[C@H](C)c1ccccc1)c1nc(-c2ccncc2)no1 ZINC000427853219 975322183 /nfs/dbraw/zinc/32/21/83/975322183.db2.gz OXFMMMMBEVMDAI-YJBOKZPZSA-N -1 3 400.504 3.552 20 0 HHADHM CC(C)[C@@H]([N-]S(=O)(=O)C[C@@H](C)c1ccccc1)c1nc(-c2ccncc2)no1 ZINC000427853216 975322348 /nfs/dbraw/zinc/32/23/48/975322348.db2.gz OXFMMMMBEVMDAI-CRAIPNDOSA-N -1 3 400.504 3.552 20 0 HHADHM O=C1[N-][C@](c2ccccc2)(C(F)(F)F)C(=O)N1Cc1ncccc1C(F)(F)F ZINC000428060728 975411833 /nfs/dbraw/zinc/41/18/33/975411833.db2.gz LWFXGIYFDSJSPV-HNNXBMFYSA-N -1 3 403.282 3.610 20 0 HHADHM COC(=O)c1cc(C)nc2nc(SCCc3c(F)cccc3Cl)[n-]c(=O)c21 ZINC000428257772 975571339 /nfs/dbraw/zinc/57/13/39/975571339.db2.gz BPUFQPYERYSSBO-UHFFFAOYSA-N -1 3 407.854 3.953 20 0 HHADHM Cc1ccc([C@H]2C[C@H](C)N(C(=O)CCc3c(C)nc(-c4ccncc4)[n-]c3=O)C2)cc1 ZINC000428330601 975638371 /nfs/dbraw/zinc/63/83/71/975638371.db2.gz NGICXOASXGPLGA-UWJYYQICSA-N -1 3 416.525 3.786 20 0 HHADHM O=S(=O)([N-]C[C@@]1(CO)C[C@@H]1c1ccc(F)cc1)c1cccc(Cl)c1Cl ZINC000428375099 975696906 /nfs/dbraw/zinc/69/69/06/975696906.db2.gz CENIJCRXPJQRMC-CXAGYDPISA-N -1 3 404.290 3.577 20 0 HHADHM CC(C)(c1ccc(NC(=O)c2cncc([N-]S(C)(=O)=O)c2)cc1)C(F)(F)F ZINC000428417100 975735582 /nfs/dbraw/zinc/73/55/82/975735582.db2.gz BSDGNKZSLZGXEQ-UHFFFAOYSA-N -1 3 401.410 3.545 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CC[C@H]4CCC[C@H]43)c2)cc1 ZINC000428538238 975837464 /nfs/dbraw/zinc/83/74/64/975837464.db2.gz WXGUONMXOMXASP-IIBYNOLFSA-N -1 3 414.527 3.819 20 0 HHADHM CN(C(=O)c1c[n-]c2ccc(I)cc2c1=O)C1(C)CCCC1 ZINC000428660582 975958147 /nfs/dbraw/zinc/95/81/47/975958147.db2.gz CMOWKKWXKLSWEV-UHFFFAOYSA-N -1 3 410.255 3.537 20 0 HHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CC[C@@]4(C)[C@@H](C3)C4(F)F)nc(=O)c2c1C ZINC000428724643 976012075 /nfs/dbraw/zinc/01/20/75/976012075.db2.gz WRJKPDGJRPAGPO-PISHQANHSA-N -1 3 411.474 3.508 20 0 HHADHM CCOc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000428918929 976220281 /nfs/dbraw/zinc/22/02/81/976220281.db2.gz CWFQCEGHCADLAT-UHFFFAOYSA-N -1 3 418.375 3.810 20 0 HHADHM C[C@@H]([N-]S(=O)(=O)Cc1cc(C(C)(C)C)on1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000429240532 976530429 /nfs/dbraw/zinc/53/04/29/976530429.db2.gz WSQADFRUOVFVIG-LLVKDONJSA-N -1 3 424.910 3.856 20 0 HHADHM COc1cc(C)cc(NC(=O)c2c(C)oc3[n-]c(=O)n(-c4ccccc4)c(=O)c32)c1C ZINC000429437966 976716028 /nfs/dbraw/zinc/71/60/28/976716028.db2.gz QJVMEGHZKZBYMG-UHFFFAOYSA-N -1 3 419.437 3.870 20 0 HHADHM CCOc1cc2c(cc1NC(=O)NCc1ccc([O-])c(Br)c1)OCCO2 ZINC000429662985 976962180 /nfs/dbraw/zinc/96/21/80/976962180.db2.gz SKMILWXNBBLLMK-UHFFFAOYSA-N -1 3 423.263 3.646 20 0 HHADHM C[C@@H](CCO)C1(C[N-]S(=O)(=O)c2cc(Cl)ccc2Br)CCC1 ZINC000429843183 977113983 /nfs/dbraw/zinc/11/39/83/977113983.db2.gz SHTYIDCUKMIDGV-NSHDSACASA-N -1 3 410.761 3.570 20 0 HHADHM CC(C)OC(=O)CC[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429902958 977178210 /nfs/dbraw/zinc/17/82/10/977178210.db2.gz NMHYUFBFUCGVKF-JTQLQIEISA-N -1 3 412.733 3.501 20 0 HHADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(CN3CCOCC3)c2)cc1 ZINC000430348369 977493712 /nfs/dbraw/zinc/49/37/12/977493712.db2.gz AHNSKOANZQBNTG-UHFFFAOYSA-N -1 3 424.950 3.762 20 0 HHADHM COC(=O)c1cccc(CS(=O)(=O)[N-]c2c3c(ccc2Cl)CC(C)(C)O3)c1 ZINC000430351499 977496065 /nfs/dbraw/zinc/49/60/65/977496065.db2.gz JGDHPPJHXZHPSB-UHFFFAOYSA-N -1 3 409.891 3.782 20 0 HHADHM CCn1c2ccc(S(=O)(=O)[N-]c3c4c(ccc3Cl)CC(C)(C)O4)cc2oc1=O ZINC000430381617 977514803 /nfs/dbraw/zinc/51/48/03/977514803.db2.gz ZUBRFDKXUDCFTJ-UHFFFAOYSA-N -1 3 422.890 3.782 20 0 HHADHM Cc1nc(C)c(CCC(=O)NCCOc2c(Cl)cc(Cl)cc2Cl)c(=O)[n-]1 ZINC000430454057 977563856 /nfs/dbraw/zinc/56/38/56/977563856.db2.gz MQSPUJKUDJIFJK-UHFFFAOYSA-N -1 3 418.708 3.887 20 0 HHADHM C[C@H](NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O)c1cncc(F)c1 ZINC000430566029 977634593 /nfs/dbraw/zinc/63/45/93/977634593.db2.gz RGVJLWBHWXEGTL-QMMMGPOBSA-N -1 3 424.657 3.969 20 0 HHADHM C[C@@]1(CNC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)CCCS1 ZINC000430612676 977655238 /nfs/dbraw/zinc/65/52/38/977655238.db2.gz SYPFVCOWHCHZJL-INIZCTEOSA-N -1 3 415.740 3.960 20 0 HHADHM Cc1cccc(CN(C)C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)n1 ZINC000430671838 977682652 /nfs/dbraw/zinc/68/26/52/977682652.db2.gz YFZXDDNAGFSJJV-UHFFFAOYSA-N -1 3 420.694 3.920 20 0 HHADHM Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000430818137 977775107 /nfs/dbraw/zinc/77/51/07/977775107.db2.gz YWVVPSBSIKRVJV-UHFFFAOYSA-N -1 3 405.241 3.651 20 0 HHADHM CCn1ccnc1[C@@H]1CCCCN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000430890897 977857280 /nfs/dbraw/zinc/85/72/80/977857280.db2.gz SZVWDLMLOWPBGX-HNNXBMFYSA-N -1 3 407.312 3.808 20 0 HHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CCc1nc(-c2ccncc2)cs1 ZINC000431293787 978180737 /nfs/dbraw/zinc/18/07/37/978180737.db2.gz GHQVAXPRORIOHA-UHFFFAOYSA-N -1 3 417.487 3.920 20 0 HHADHM Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)[N-]c1ccc(N2CCOCC2)nc1C ZINC000431324157 978209500 /nfs/dbraw/zinc/20/95/00/978209500.db2.gz UFXFJTRMXYXDPS-UHFFFAOYSA-N -1 3 417.575 3.942 20 0 HHADHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1ncc(Br)cn1 ZINC000431624726 978393268 /nfs/dbraw/zinc/39/32/68/978393268.db2.gz XCUULGHTOZVLPL-SSDOTTSWSA-N -1 3 411.108 3.585 20 0 HHADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]c1cc(C(C)=O)ccc1Cl ZINC000432061195 978665084 /nfs/dbraw/zinc/66/50/84/978665084.db2.gz HUFSBPYESRAGJK-UHFFFAOYSA-N -1 3 402.255 3.783 20 0 HHADHM CCCN(C[C@H]1COc2ccccc2O1)c1ccc(-c2nc(CC)cc(=O)[n-]2)cn1 ZINC000432132308 978689466 /nfs/dbraw/zinc/68/94/66/978689466.db2.gz BGKOAMHQBAGOCY-SFHVURJKSA-N -1 3 406.486 3.863 20 0 HHADHM CN(C)[C@H]1CCOc2c([N-]S(=O)(=O)c3ccc4c5c(cccc53)C(=O)N4)cccc21 ZINC000432486013 978841566 /nfs/dbraw/zinc/84/15/66/978841566.db2.gz QLGDAOVIAWBMAE-SFHVURJKSA-N -1 3 423.494 3.592 20 0 HHADHM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc3c2OCC[C@H]3N(C)C)cc1 ZINC000432498302 978850481 /nfs/dbraw/zinc/85/04/81/978850481.db2.gz XBMIQOCPXJRAGT-LJQANCHMSA-N -1 3 402.516 3.711 20 0 HHADHM Cc1cc(C(=O)[N-]c2nnc([C@@H]3CCCc4ccccc43)s2)nc(C(F)(F)F)n1 ZINC000432616897 978912211 /nfs/dbraw/zinc/91/22/11/978912211.db2.gz MYBXWEDBIQJLAN-CYBMUJFWSA-N -1 3 419.432 4.376 20 0 HHADHM Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1[N-]S(=O)(=O)c1ccc(N(C)C)cc1 ZINC000432770521 978968749 /nfs/dbraw/zinc/96/87/49/978968749.db2.gz HKRCPBICFYWHJK-INIZCTEOSA-N -1 3 415.559 3.734 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C)CC3)cc1C(C)C ZINC000432771562 978969484 /nfs/dbraw/zinc/96/94/84/978969484.db2.gz LOFYGZOCPBGBOS-UHFFFAOYSA-N -1 3 402.516 3.556 20 0 HHADHM COC(=O)C(C)(C)c1ccc([N-]S(=O)(=O)c2cc(Cl)c(OC)cc2C)cc1 ZINC000432772439 978969927 /nfs/dbraw/zinc/96/99/27/978969927.db2.gz UNOUWXKNUFQNAS-UHFFFAOYSA-N -1 3 411.907 3.908 20 0 HHADHM CN(C)c1ccc(S(=O)(=O)[N-]c2cccc(C[S@@](=O)c3ccccc3)c2)cc1 ZINC000432782646 978973159 /nfs/dbraw/zinc/97/31/59/978973159.db2.gz UXZYOTKSUIAWBI-HHHXNRCGSA-N -1 3 414.552 3.861 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)Nc3ccc(SC)cc3)c2)[n-]1 ZINC000432906311 979006846 /nfs/dbraw/zinc/00/68/46/979006846.db2.gz WMAFVANWOGTKBI-UHFFFAOYSA-N -1 3 411.487 3.692 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)Nc3ccc(SC)cc3)c2)n[n-]1 ZINC000432906311 979006851 /nfs/dbraw/zinc/00/68/51/979006851.db2.gz WMAFVANWOGTKBI-UHFFFAOYSA-N -1 3 411.487 3.692 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNc3nc(CC)nc4sccc43)c2)[n-]1 ZINC000432926904 979013555 /nfs/dbraw/zinc/01/35/55/979013555.db2.gz DVQNQJJHOHRKIZ-UHFFFAOYSA-N -1 3 408.487 3.828 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNc3nc(CC)nc4sccc43)c2)n[n-]1 ZINC000432926904 979013560 /nfs/dbraw/zinc/01/35/60/979013560.db2.gz DVQNQJJHOHRKIZ-UHFFFAOYSA-N -1 3 408.487 3.828 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(CN3CCOCC3)c2)cc1C(C)C ZINC000432948690 979019964 /nfs/dbraw/zinc/01/99/64/979019964.db2.gz JEHFQWTWSKWOAP-UHFFFAOYSA-N -1 3 418.559 3.760 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCc3c(Cl)cc(Cl)cc3[C@@H]2C)c(C)o1 ZINC000433055751 979053692 /nfs/dbraw/zinc/05/36/92/979053692.db2.gz BTDJMOJLWMBANP-VIFPVBQESA-N -1 3 417.314 3.562 20 0 HHADHM COC(=O)c1ccc(C(=O)Nc2ccc(CN3C(=O)Cc4ccc(Cl)cc43)cc2)[n-]1 ZINC000433095687 979070514 /nfs/dbraw/zinc/07/05/14/979070514.db2.gz YYLNHKIAOLKDQE-UHFFFAOYSA-N -1 3 423.856 3.796 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)Nc3cccc(C(F)F)c3)c2)[n-]1 ZINC000433213238 979146310 /nfs/dbraw/zinc/14/63/10/979146310.db2.gz CGKYCTCYRFUJGC-UHFFFAOYSA-N -1 3 415.400 3.908 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)Nc3cccc(C(F)F)c3)c2)n[n-]1 ZINC000433213238 979146313 /nfs/dbraw/zinc/14/63/13/979146313.db2.gz CGKYCTCYRFUJGC-UHFFFAOYSA-N -1 3 415.400 3.908 20 0 HHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc(Cl)c(C(=O)N(C)C)c3)c[n-]c12 ZINC000433220293 979154249 /nfs/dbraw/zinc/15/42/49/979154249.db2.gz PAGNQTODJXCTPQ-UHFFFAOYSA-N -1 3 401.825 3.583 20 0 HHADHM CCCc1nc(C)c(C(=O)[N-]c2ncn(Cc3cccc(Br)c3)n2)o1 ZINC000433232780 979165788 /nfs/dbraw/zinc/16/57/88/979165788.db2.gz NFDXPDVSKYZBOH-UHFFFAOYSA-N -1 3 404.268 3.590 20 0 HHADHM O=S(=O)([N-]Cc1noc(-c2ccccc2F)n1)c1cccc(Cl)c1Cl ZINC000433446867 979311656 /nfs/dbraw/zinc/31/16/56/979311656.db2.gz JCPWXFGGTAXPER-UHFFFAOYSA-N -1 3 402.234 3.661 20 0 HHADHM O=S(=O)(Cc1cc(Cl)cc(Cl)c1)[N-]Cc1noc(-c2ccccc2F)n1 ZINC000433447705 979311804 /nfs/dbraw/zinc/31/18/04/979311804.db2.gz PRNZNSUWFZIECD-UHFFFAOYSA-N -1 3 416.261 3.802 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@H]3CCC(=O)c4cccn43)cc2)cc1 ZINC000433547300 979372319 /nfs/dbraw/zinc/37/23/19/979372319.db2.gz YKPCFDLFYXVXBW-HXUWFJFHSA-N -1 3 423.494 3.754 20 0 HHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)CCOCC2CC2)cc1 ZINC000433870282 979638923 /nfs/dbraw/zinc/63/89/23/979638923.db2.gz PVORLKFFBXMNSL-UHFFFAOYSA-N -1 3 402.516 3.859 20 0 HHADHM CCC[C@H](Cc1ccccc1)N(CCC)C(=O)c1cc(S(=O)(=O)[N-]C)oc1C ZINC000433943993 979703093 /nfs/dbraw/zinc/70/30/93/979703093.db2.gz XFQOKKCNZMTWTJ-GOSISDBHSA-N -1 3 406.548 3.760 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](c2ccc(CC(C)C)cc2)C2CC2)c(C)o1 ZINC000433951667 979709954 /nfs/dbraw/zinc/70/99/54/979709954.db2.gz UYBFPRVINDLRMT-FQEVSTJZSA-N -1 3 404.532 3.576 20 0 HHADHM CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1cc(S(=O)(=O)[N-]C)oc1C ZINC000434014315 979759006 /nfs/dbraw/zinc/75/90/06/979759006.db2.gz WQMWPOKPLZAWJL-CYBMUJFWSA-N -1 3 419.330 3.554 20 0 HHADHM CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(S(=O)(=O)[N-]C)oc1C ZINC000434224326 979994571 /nfs/dbraw/zinc/99/45/71/979994571.db2.gz AURNLMRWDJHVME-UHFFFAOYSA-N -1 3 420.409 3.556 20 0 HHADHM C[C@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1cccc(OCc2ccccc2)c1 ZINC000434382471 980128174 /nfs/dbraw/zinc/12/81/74/980128174.db2.gz HPUYKNDACUSUQT-HNNXBMFYSA-N -1 3 400.434 3.640 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N(C)Cc3cc(C)cc(C)c3)c2)n1 ZINC000434620761 980302001 /nfs/dbraw/zinc/30/20/01/980302001.db2.gz ZQUNBXWUAFNXMR-UHFFFAOYSA-N -1 3 418.497 3.626 20 0 HHADHM O=S(=O)([N-]CCCOCCc1ccccc1)c1cc(F)ccc1Br ZINC000435219448 980729343 /nfs/dbraw/zinc/72/93/43/980729343.db2.gz DMYOLENDUAQWGE-UHFFFAOYSA-N -1 3 416.312 3.516 20 0 HHADHM Cc1csc([C@H]([N-]S(=O)(=O)c2cccc(C)c2Br)C2CC2)n1 ZINC000435227836 980735234 /nfs/dbraw/zinc/73/52/34/980735234.db2.gz VSADGQIUWUOALH-CQSZACIVSA-N -1 3 401.351 3.952 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000435437995 980862730 /nfs/dbraw/zinc/86/27/30/980862730.db2.gz NFXRSGMYFIGTIN-HUUCEWRRSA-N -1 3 405.472 3.661 20 0 HHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H]2C[C@H]2c2c(F)cccc2F)cc1Cl ZINC000435448606 980869248 /nfs/dbraw/zinc/86/92/48/980869248.db2.gz YKFRTDOFYMRKIJ-YMTOWFKASA-N -1 3 418.824 3.550 20 0 HHADHM O=c1cc(C(F)(F)F)nc(CNc2ccc3c(c2)CCC(=O)N3CC(F)(F)F)[n-]1 ZINC000435890560 981078962 /nfs/dbraw/zinc/07/89/62/981078962.db2.gz VBTMYOFJHDSXKU-UHFFFAOYSA-N -1 3 420.313 3.655 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N(C)Cc2cc(C)ccc2F)cc1OC ZINC000435907891 981086978 /nfs/dbraw/zinc/08/69/78/981086978.db2.gz MDJYOEWOIXBXGM-UHFFFAOYSA-N -1 3 409.483 3.568 20 0 HHADHM Cc1nc(S(=O)(=O)Cc2noc(-c3ccc(F)cc3F)n2)[n-]c1-c1ccccc1 ZINC000435930512 981098763 /nfs/dbraw/zinc/09/87/63/981098763.db2.gz OIEMAUQLRGXNHB-UHFFFAOYSA-N -1 3 416.409 3.687 20 0 HHADHM Cc1[n-]c(S(=O)(=O)Cc2noc(-c3ccc(F)cc3F)n2)nc1-c1ccccc1 ZINC000435930512 981098770 /nfs/dbraw/zinc/09/87/70/981098770.db2.gz OIEMAUQLRGXNHB-UHFFFAOYSA-N -1 3 416.409 3.687 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H]3C[C@H]3C3CC3)c2)cc1 ZINC000435961600 981115498 /nfs/dbraw/zinc/11/54/98/981115498.db2.gz CIHZZTZMHLNOJD-LEWJYISDSA-N -1 3 414.527 3.723 20 0 HHADHM CC(C)Oc1ccc([N-]S(=O)(=O)Cc2nc(COc3cccc(F)c3)no2)cc1 ZINC000435997073 981141638 /nfs/dbraw/zinc/14/16/38/981141638.db2.gz RYHINUQKKOMKKW-UHFFFAOYSA-N -1 3 421.450 3.517 20 0 HHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)c1 ZINC000436008457 981150700 /nfs/dbraw/zinc/15/07/00/981150700.db2.gz URDAJVQCJNRSJX-MQMHXKEQSA-N -1 3 421.266 3.928 20 0 HHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000436098294 981199233 /nfs/dbraw/zinc/19/92/33/981199233.db2.gz CTQSGAAWDATABA-ZDUSSCGKSA-N -1 3 415.730 3.788 20 0 HHADHM O=S(=O)([N-]c1ccc(OC2COC2)cc1)c1ccc(OC(F)F)c(Cl)c1 ZINC000436150805 981222144 /nfs/dbraw/zinc/22/21/44/981222144.db2.gz GSZKESWCQZMUQS-UHFFFAOYSA-N -1 3 405.806 3.520 20 0 HHADHM O=S(=O)([N-]c1ccc(OC2COC2)cc1)c1ccc(OCc2ccccc2)cc1 ZINC000436155304 981225175 /nfs/dbraw/zinc/22/51/75/981225175.db2.gz PQGVEAYEUYUKKV-UHFFFAOYSA-N -1 3 411.479 3.844 20 0 HHADHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1Cl ZINC000436158611 981226678 /nfs/dbraw/zinc/22/66/78/981226678.db2.gz WTIVANJQYLAZGS-UHFFFAOYSA-N -1 3 401.868 3.870 20 0 HHADHM Cc1ccc(Oc2ccc(NC(=O)NCCNC(=O)c3ccc([O-])cc3)cn2)cc1C ZINC000436483163 981395306 /nfs/dbraw/zinc/39/53/06/981395306.db2.gz CUZFQJSBDQKPRG-UHFFFAOYSA-N -1 3 420.469 3.748 20 0 HHADHM C[C@@H](C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(C(F)(F)F)cc1 ZINC000436490898 981398449 /nfs/dbraw/zinc/39/84/49/981398449.db2.gz PQNFGDWXLWUCTF-CQSZACIVSA-N -1 3 420.431 3.936 20 0 HHADHM C[C@H](C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(C(F)(F)F)cc1 ZINC000436490897 981398743 /nfs/dbraw/zinc/39/87/43/981398743.db2.gz PQNFGDWXLWUCTF-AWEZNQCLSA-N -1 3 420.431 3.936 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@@H]1CCCC12CCOCC2 ZINC000436518358 981413622 /nfs/dbraw/zinc/41/36/22/981413622.db2.gz KGDWGFGNDDYDHZ-FGZHOGPDSA-N -1 3 422.525 3.719 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@H]1CCCC12CCOCC2 ZINC000436518524 981413669 /nfs/dbraw/zinc/41/36/69/981413669.db2.gz KGDWGFGNDDYDHZ-YADHBBJMSA-N -1 3 422.525 3.719 20 0 HHADHM CCOc1ccc(-c2noc(CCNC(=O)c3ccc(C)cc3[O-])n2)cc1Cl ZINC000436520878 981415170 /nfs/dbraw/zinc/41/51/70/981415170.db2.gz AWEKIILKXXIQOM-UHFFFAOYSA-N -1 3 401.850 3.775 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCCCc1ccc(O)cc1 ZINC000436524115 981416761 /nfs/dbraw/zinc/41/67/61/981416761.db2.gz FRDGFJQUVCEHOQ-QHCPKHFHSA-N -1 3 418.493 3.708 20 0 HHADHM COc1ccc(C(=O)N[C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)c([O-])c1 ZINC000436524567 981417611 /nfs/dbraw/zinc/41/76/11/981417611.db2.gz JHQZRJBPJUMDJV-QGZVFWFLSA-N -1 3 422.403 3.513 20 0 HHADHM C[C@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])c1ccccc1NS(C)(=O)=O ZINC000436525763 981418378 /nfs/dbraw/zinc/41/83/78/981418378.db2.gz OLZVIFNKVFSSOJ-INIZCTEOSA-N -1 3 424.522 3.846 20 0 HHADHM CC(C)[C@@H]1CN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCS1 ZINC000436527455 981419871 /nfs/dbraw/zinc/41/98/71/981419871.db2.gz LIRRAFPVBJLYLZ-SFTDATJTSA-N -1 3 412.555 3.853 20 0 HHADHM COc1ncc(C)cc1NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436528968 981421779 /nfs/dbraw/zinc/42/17/79/981421779.db2.gz QDNCANUKNIKGOH-LJQANCHMSA-N -1 3 405.454 3.604 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCC[C@]2(CCCOC2)C1 ZINC000436529446 981421798 /nfs/dbraw/zinc/42/17/98/981421798.db2.gz ROHHOPDMWVSBOV-RDGATRHJSA-N -1 3 422.525 3.673 20 0 HHADHM Cc1cnc(CCN(C)C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)s1 ZINC000436530460 981422803 /nfs/dbraw/zinc/42/28/03/981422803.db2.gz CCQYRZSLJFOSPD-HXUWFJFHSA-N -1 3 423.538 3.719 20 0 HHADHM O=C(Nc1ccc(-c2nccs2)cc1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436530847 981422818 /nfs/dbraw/zinc/42/28/18/981422818.db2.gz GKCXGCDEOLVPGB-UHFFFAOYSA-N -1 3 408.483 3.506 20 0 HHADHM Cc1ccc(C(=O)NCCc2nc(-c3cc(Br)ccc3F)no2)c([O-])c1 ZINC000436534740 981425790 /nfs/dbraw/zinc/42/57/90/981425790.db2.gz PTOPUOVSNFQFJY-UHFFFAOYSA-N -1 3 420.238 3.625 20 0 HHADHM O=C(Cn1cc(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])cn1)NC1CCCC1 ZINC000436536676 981427427 /nfs/dbraw/zinc/42/74/27/981427427.db2.gz DWURGMKNIXCPIQ-UHFFFAOYSA-N -1 3 420.469 3.692 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)N3CCN(C(=O)c4ccccc4[O-])CC3)cc2)cs1 ZINC000436540712 981430298 /nfs/dbraw/zinc/43/02/98/981430298.db2.gz ZVIRVGQLFUNYMN-UHFFFAOYSA-N -1 3 422.510 3.814 20 0 HHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC(CN2CCCCC2=O)CC1 ZINC000436544004 981432727 /nfs/dbraw/zinc/43/27/27/981432727.db2.gz APDVBYIPCWZWJR-UHFFFAOYSA-N -1 3 406.526 3.848 20 0 HHADHM CC[C@@H](CSC)N(C)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436554660 981440195 /nfs/dbraw/zinc/44/01/95/981440195.db2.gz GYLOESMXPGZNAY-AZUAARDMSA-N -1 3 400.544 3.853 20 0 HHADHM Cc1noc(C)c1[C@H](C)CNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436556348 981441672 /nfs/dbraw/zinc/44/16/72/981441672.db2.gz NWNYBUWJSVRYQX-VFNWGFHPSA-N -1 3 421.497 3.778 20 0 HHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCCC[C@H]1CN1CCOCC1 ZINC000436557113 981442421 /nfs/dbraw/zinc/44/24/21/981442421.db2.gz VJLHHRIWGQGPKC-QFIPXVFZSA-N -1 3 408.542 3.504 20 0 HHADHM CC1(C)C[C@@H](NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C(C)(C)O1 ZINC000436559624 981443923 /nfs/dbraw/zinc/44/39/23/981443923.db2.gz ALPLIYQJUQWRDX-VQTJNVASSA-N -1 3 410.514 3.716 20 0 HHADHM C[C@H](CCO)C1(CNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCC1 ZINC000436559592 981443985 /nfs/dbraw/zinc/44/39/85/981443985.db2.gz AAYXQKIFYKXJRZ-XMSQKQJNSA-N -1 3 424.541 3.558 20 0 HHADHM CC[C@@H](C)n1nc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cc1C ZINC000436564721 981447761 /nfs/dbraw/zinc/44/77/61/981447761.db2.gz RWSWKBJGVZLGMQ-IERDGZPVSA-N -1 3 420.513 4.368 20 0 HHADHM COc1cc(F)cc(CNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC000436565070 981447942 /nfs/dbraw/zinc/44/79/42/981447942.db2.gz MEJLWTQTQTZYHA-QFIPXVFZSA-N -1 3 422.456 3.718 20 0 HHADHM COc1cc(C(=O)N(C)C)ccc1NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436577571 981455874 /nfs/dbraw/zinc/45/58/74/981455874.db2.gz VAGBVYBAWNYALG-UHFFFAOYSA-N -1 3 404.466 3.946 20 0 HHADHM O=C(Nc1nc(CN2CCOCC2)cs1)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436583335 981459272 /nfs/dbraw/zinc/45/92/72/981459272.db2.gz JHTQCUUXBVEPFT-UHFFFAOYSA-N -1 3 423.538 3.718 20 0 HHADHM Cc1ncsc1NC(=O)c1cc(CN2C(=O)c3ccccc3C2=O)cc(C)c1[O-] ZINC000436582529 981459343 /nfs/dbraw/zinc/45/93/43/981459343.db2.gz DSLKVNLJFVCIPB-UHFFFAOYSA-N -1 3 407.451 3.514 20 0 HHADHM Cn1c2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])cc2nc1C(C)(C)C ZINC000436584170 981460265 /nfs/dbraw/zinc/46/02/65/981460265.db2.gz PIMDNZKMAZALRM-IBGZPJMESA-N -1 3 420.513 3.820 20 0 HHADHM COc1ccc(C(=O)N2CCN([C@H](C)c3ccc(Br)cc3)CC2)c([O-])c1 ZINC000436588610 981462090 /nfs/dbraw/zinc/46/20/90/981462090.db2.gz IGLNFLJMUUJJLX-CQSZACIVSA-N -1 3 419.319 3.682 20 0 HHADHM COCC[C@H](NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1ccco1 ZINC000436594708 981464957 /nfs/dbraw/zinc/46/49/57/981464957.db2.gz ILSMXAYAOMNLKQ-LEWJYISDSA-N -1 3 422.481 3.740 20 0 HHADHM CCCN(C(=O)c1cccs1)C1CCN(C(=O)c2ccc(OC)cc2[O-])CC1 ZINC000436597415 981466202 /nfs/dbraw/zinc/46/62/02/981466202.db2.gz VFLAVHXDPJFPFO-UHFFFAOYSA-N -1 3 402.516 3.619 20 0 HHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCC(N2CCCCC2=O)CC1 ZINC000436597234 981466347 /nfs/dbraw/zinc/46/63/47/981466347.db2.gz PIVSWOIXRSNUET-UHFFFAOYSA-N -1 3 406.526 3.795 20 0 HHADHM CS(=O)(=O)CCc1ccc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])cc1 ZINC000436599136 981466861 /nfs/dbraw/zinc/46/68/61/981466861.db2.gz CJINTZNACGRECS-UHFFFAOYSA-N -1 3 409.507 3.822 20 0 HHADHM CS(=O)(=O)C1(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)CCCC1 ZINC000436599484 981467209 /nfs/dbraw/zinc/46/72/09/981467209.db2.gz CUSVVIQTRMQOKA-UHFFFAOYSA-N -1 3 416.524 3.965 20 0 HHADHM CCNC(=O)COc1ccc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])cc1 ZINC000436605315 981470233 /nfs/dbraw/zinc/47/02/33/981470233.db2.gz BYDFRRIWTHRUEN-UHFFFAOYSA-N -1 3 404.466 3.750 20 0 HHADHM COc1cccc(C2(CNC(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])CCCC2)c1 ZINC000436606645 981471027 /nfs/dbraw/zinc/47/10/27/981471027.db2.gz DKGCHBNMDURDPG-OAQYLSRUSA-N -1 3 422.525 3.634 20 0 HHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCN(c2ccc(O)cc2)CC1 ZINC000436608075 981471763 /nfs/dbraw/zinc/47/17/63/981471763.db2.gz JNCQEXZRVHTXSK-UHFFFAOYSA-N -1 3 402.494 3.845 20 0 HHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000436611875 981474204 /nfs/dbraw/zinc/47/42/04/981474204.db2.gz YYENISPHZNNCDZ-PKOBYXMFSA-N -1 3 407.432 3.810 20 0 HHADHM O=C(c1ccc(O)cc1[O-])N1CCC[C@@H]1c1ccc(I)cc1 ZINC000436618904 981477869 /nfs/dbraw/zinc/47/78/69/981477869.db2.gz MWVOCGDESNUFPW-OAHLLOKOSA-N -1 3 409.223 3.680 20 0 HHADHM O=C(N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436621150 981479254 /nfs/dbraw/zinc/47/92/54/981479254.db2.gz CLUZTDNGLWXBNJ-CGTJXYLNSA-N -1 3 418.415 3.688 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NC1(C(F)(F)F)CCC1 ZINC000436621323 981479258 /nfs/dbraw/zinc/47/92/58/981479258.db2.gz VNVZHTZSOZZFPT-KRWDZBQOSA-N -1 3 406.404 3.855 20 0 HHADHM O=C(N[C@@H]1CCCc2cn(C3CCCC3)nc21)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436624804 981481019 /nfs/dbraw/zinc/48/10/19/981481019.db2.gz AQCVWWZJXWAGEU-WOJBJXKFSA-N -1 3 422.529 3.502 20 0 HHADHM O=C(CN(Cc1ccccc1F)C(=O)c1ccc(O)cc1[O-])Nc1ccccc1F ZINC000436625865 981481524 /nfs/dbraw/zinc/48/15/24/981481524.db2.gz PYHOCFBJRGVOTI-UHFFFAOYSA-N -1 3 412.392 3.657 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCC[C@H]1[C@H]1CCCC1=O ZINC000436627383 981481922 /nfs/dbraw/zinc/48/19/22/981481922.db2.gz VVIRFUUFBNEHJT-VSKRKVRLSA-N -1 3 420.509 3.614 20 0 HHADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CCC[C@]2(CCCc3ccccc32)C1 ZINC000436627843 981482090 /nfs/dbraw/zinc/48/20/90/981482090.db2.gz VKFYXUUYDNTENQ-ATIYNZHBSA-N -1 3 418.537 3.894 20 0 HHADHM CCOc1ccccc1NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000436628398 981482634 /nfs/dbraw/zinc/48/26/34/981482634.db2.gz QBZIYDZTLKEJIL-UHFFFAOYSA-N -1 3 411.483 3.989 20 0 HHADHM CCOc1ccc(NC(=O)Cc2csc(NC(=O)c3cc(C)ccc3[O-])n2)cc1 ZINC000436628948 981483185 /nfs/dbraw/zinc/48/31/85/981483185.db2.gz SYNKKGJNAXURSY-UHFFFAOYSA-N -1 3 411.483 3.989 20 0 HHADHM CCCCN1CCc2ccc(NC(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])cc21 ZINC000436631573 981483762 /nfs/dbraw/zinc/48/37/62/981483762.db2.gz VLDLDSLGCXCSHK-HXUWFJFHSA-N -1 3 407.514 3.798 20 0 HHADHM Cc1c(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cccc1OCC(F)(F)F ZINC000436630650 981483828 /nfs/dbraw/zinc/48/38/28/981483828.db2.gz PBUTXPVRVYVFEB-INIZCTEOSA-N -1 3 422.403 3.885 20 0 HHADHM CC(C)(C)[C@@H]1CCN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C[C@@H]1O ZINC000436630762 981483864 /nfs/dbraw/zinc/48/38/64/981483864.db2.gz PGXOHCQRXPQIQH-VSKRKVRLSA-N -1 3 424.541 3.509 20 0 HHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccccc1Oc1ccncc1 ZINC000436632413 981484281 /nfs/dbraw/zinc/48/42/81/981484281.db2.gz AAJZPJPJENYGLX-UHFFFAOYSA-N -1 3 417.465 3.614 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccccc2NC(=O)C[C@H]2C=CCC2)c([O-])c1 ZINC000436634726 981484924 /nfs/dbraw/zinc/48/49/24/981484924.db2.gz IVYVBNLJRSGQRV-KRWDZBQOSA-N -1 3 421.497 3.754 20 0 HHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N(C)C3CCC(C)CC3)cs2)c1 ZINC000436634165 981484953 /nfs/dbraw/zinc/48/49/53/981484953.db2.gz KBJPYROZRKDFIX-UHFFFAOYSA-N -1 3 401.532 3.989 20 0 HHADHM CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cc(F)c([O-])c(F)c1 ZINC000436634929 981484997 /nfs/dbraw/zinc/48/49/97/981484997.db2.gz NOGHBCNHQZFLNW-UHFFFAOYSA-N -1 3 402.363 3.893 20 0 HHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N(C)[C@H]3CCCC[C@H]3C)cs2)c1 ZINC000436635582 981485726 /nfs/dbraw/zinc/48/57/26/981485726.db2.gz MBMJKLSPTGQWJQ-PBHICJAKSA-N -1 3 401.532 3.989 20 0 HHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N(C)[C@@H]3CCCC[C@H]3C)cs2)c1 ZINC000436635583 981485857 /nfs/dbraw/zinc/48/58/57/981485857.db2.gz MBMJKLSPTGQWJQ-RHSMWYFYSA-N -1 3 401.532 3.989 20 0 HHADHM Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)CCNC(=O)c3ccc(C)cc3[O-])cc2)n1 ZINC000436637609 981487023 /nfs/dbraw/zinc/48/70/23/981487023.db2.gz ZYLIHAOEDMCEMO-GOSISDBHSA-N -1 3 420.513 3.500 20 0 HHADHM Cc1cccc(CCNC(=O)Cc2csc(NC(=O)c3cc(C)ccc3[O-])n2)c1 ZINC000436637121 981487185 /nfs/dbraw/zinc/48/71/85/981487185.db2.gz YSPIODLRWSPPPB-UHFFFAOYSA-N -1 3 409.511 3.619 20 0 HHADHM C[C@@H](Cc1ccccc1Cl)C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436639043 981488388 /nfs/dbraw/zinc/48/83/88/981488388.db2.gz BNAJSGDZIQEOFQ-HNNXBMFYSA-N -1 3 400.906 3.645 20 0 HHADHM O=C(CCc1ccc(-c2ccccc2F)o1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436656578 981495196 /nfs/dbraw/zinc/49/51/96/981495196.db2.gz QTYCWGADERNLNI-UHFFFAOYSA-N -1 3 422.456 3.709 20 0 HHADHM CC[C@@H](C)[C@@H](NC(=O)CCNC(=O)c1ccc(C)cc1[O-])c1nc2ccccc2[nH]1 ZINC000436659730 981495933 /nfs/dbraw/zinc/49/59/33/981495933.db2.gz AAHUZMFFGJNUJZ-QVKFZJNVSA-N -1 3 408.502 3.600 20 0 HHADHM CN(Cc1ccccc1OC(F)(F)F)C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436662501 981498344 /nfs/dbraw/zinc/49/83/44/981498344.db2.gz GDZSIYKCIXMHML-MRXNPFEDSA-N -1 3 422.403 3.554 20 0 HHADHM CCS[C@@H]1CCCCN(C(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])C1 ZINC000436668701 981501292 /nfs/dbraw/zinc/50/12/92/981501292.db2.gz DXUJAACEZLTURA-OAHLLOKOSA-N -1 3 403.504 3.689 20 0 HHADHM COc1ccc(CC[C@@H](C)NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])cc1 ZINC000436668918 981501441 /nfs/dbraw/zinc/50/14/41/981501441.db2.gz FPIJTUKBKIUBRH-CQSZACIVSA-N -1 3 423.469 3.701 20 0 HHADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000436675866 981506215 /nfs/dbraw/zinc/50/62/15/981506215.db2.gz MIUWUYLWWRZZFI-XAPVIXHLSA-N -1 3 404.510 3.934 20 0 HHADHM O=C(Nc1ccc(Oc2ccc(F)cc2)cn1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436676857 981506884 /nfs/dbraw/zinc/50/68/84/981506884.db2.gz UXADVTMSYPTFTA-LJQANCHMSA-N -1 3 421.428 3.962 20 0 HHADHM Cc1nc(C2CCCC2)sc1C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436680148 981508152 /nfs/dbraw/zinc/50/81/52/981508152.db2.gz IQLKFZUVNWJESW-UHFFFAOYSA-N -1 3 413.543 3.849 20 0 HHADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CCC(c2c(F)cccc2F)CC1 ZINC000436679471 981508320 /nfs/dbraw/zinc/50/83/20/981508320.db2.gz LAPGOXLZYBBJDC-LJQANCHMSA-N -1 3 414.452 3.681 20 0 HHADHM CCCOc1ccc(-c2noc(CCNC(=O)c3ccc(C)cc3[O-])n2)cc1OC ZINC000436686119 981511610 /nfs/dbraw/zinc/51/16/10/981511610.db2.gz CWXVUYMYVFOZFA-UHFFFAOYSA-N -1 3 411.458 3.521 20 0 HHADHM CCc1ccc([C@@H]2CCCN(C(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])C2)cc1 ZINC000436685257 981511895 /nfs/dbraw/zinc/51/18/95/981511895.db2.gz LFOZPGFOBFCEHS-IRLDBZIGSA-N -1 3 406.526 3.965 20 0 HHADHM C[C@H](COc1ccc(C(C)(C)C)cc1)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436685130 981511916 /nfs/dbraw/zinc/51/19/16/981511916.db2.gz AGIVXPQIZMKRHH-UTKZUKDTSA-N -1 3 424.541 3.878 20 0 HHADHM CC[C@H](NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(Cl)s1 ZINC000436686816 981512458 /nfs/dbraw/zinc/51/24/58/981512458.db2.gz IWLBEHZLXMXXHX-AWEZNQCLSA-N -1 3 407.923 3.726 20 0 HHADHM Cc1ccc(C(=O)NCCc2nc(Cc3ccc(Cl)cc3Cl)no2)c([O-])c1 ZINC000436687735 981512533 /nfs/dbraw/zinc/51/25/33/981512533.db2.gz IVLJDMCGWLGQHF-UHFFFAOYSA-N -1 3 406.269 3.954 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCc2cc(F)ccc21 ZINC000436687982 981513259 /nfs/dbraw/zinc/51/32/59/981513259.db2.gz SFEFBYOZLJAQLV-OAQYLSRUSA-N -1 3 404.441 3.982 20 0 HHADHM Cc1ccc(C(=O)NCCc2nc(-c3cc(Br)cs3)no2)c([O-])c1 ZINC000436691589 981515206 /nfs/dbraw/zinc/51/52/06/981515206.db2.gz TXPVVGGHYUCPHC-UHFFFAOYSA-N -1 3 408.277 3.547 20 0 HHADHM COCCOc1ccc(Cl)cc1-c1noc(-c2cc(OC)c([O-])c(OC)c2)n1 ZINC000436691346 981515417 /nfs/dbraw/zinc/51/54/17/981515417.db2.gz UCZYKBUJDMKSFE-UHFFFAOYSA-N -1 3 406.822 3.805 20 0 HHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)C1(Cc2ccc(Cl)cc2)CC1 ZINC000436692867 981516000 /nfs/dbraw/zinc/51/60/00/981516000.db2.gz YQIWYZSRXPICMK-UHFFFAOYSA-N -1 3 412.917 3.789 20 0 HHADHM CC(C)(C)[C@H](NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(F)cc1 ZINC000436695578 981517820 /nfs/dbraw/zinc/51/78/20/981517820.db2.gz DOBKSUDFGWOILX-HXUWFJFHSA-N -1 3 413.493 3.786 20 0 HHADHM CC(C)C(=O)NC[C@@H]1CCCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC000436694855 981517854 /nfs/dbraw/zinc/51/78/54/981517854.db2.gz DAWJQOZXUDOZNJ-NRFANRHFSA-N -1 3 408.542 3.802 20 0 HHADHM O=C(Nc1ccc(Cn2ccnc2)cn1)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436697819 981519294 /nfs/dbraw/zinc/51/92/94/981519294.db2.gz ODCOKUQNXZCYDA-UHFFFAOYSA-N -1 3 400.438 3.863 20 0 HHADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CCc2c(ccc(Cl)c2Cl)C1 ZINC000436699949 981520161 /nfs/dbraw/zinc/52/01/61/981520161.db2.gz XQKSNVYZTYMSDT-QGZVFWFLSA-N -1 3 419.308 3.889 20 0 HHADHM O=C(Nc1ccc(C(=O)C2CCC2)cc1)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436702413 981521415 /nfs/dbraw/zinc/52/14/15/981521415.db2.gz CXCMQXDCUZUPLD-UHFFFAOYSA-N -1 3 421.497 3.801 20 0 HHADHM CC(C)C(=O)c1ccc([C@H](C)C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436706159 981522913 /nfs/dbraw/zinc/52/29/13/981522913.db2.gz UTISXQQMNYHIDZ-KRWDZBQOSA-N -1 3 422.525 3.755 20 0 HHADHM CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000436715672 981527498 /nfs/dbraw/zinc/52/74/98/981527498.db2.gz LYDTXSSDUUQZFD-OAHLLOKOSA-N -1 3 408.420 3.526 20 0 HHADHM O=C(N[C@H]1CCC[C@H](c2ccccc2)C1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436716618 981528121 /nfs/dbraw/zinc/52/81/21/981528121.db2.gz UJCIIHREMGWPGZ-PMACEKPBSA-N -1 3 407.514 3.586 20 0 HHADHM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436722837 981531892 /nfs/dbraw/zinc/53/18/92/981531892.db2.gz MEEROGIWLKPABZ-SFHVURJKSA-N -1 3 409.530 3.616 20 0 HHADHM COc1cc(C)cc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c1O ZINC000436740604 981540166 /nfs/dbraw/zinc/54/01/66/981540166.db2.gz QXMUFDVENVTIIK-UHFFFAOYSA-N -1 3 418.877 3.559 20 0 HHADHM O=C(NCc1ccncc1OC[C@H]1CCOC1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436741186 981540271 /nfs/dbraw/zinc/54/02/71/981540271.db2.gz SAZCMWYKRWUOID-FQEVSTJZSA-N -1 3 418.493 3.723 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)N2CCC(c3c[nH]c4ccc(F)cc43)CC2)c([O-])c1 ZINC000436741502 981540972 /nfs/dbraw/zinc/54/09/72/981540972.db2.gz SSDOHBRHUJVFDH-UHFFFAOYSA-N -1 3 423.488 3.847 20 0 HHADHM CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cccc(C)c1[O-] ZINC000436759105 981549316 /nfs/dbraw/zinc/54/93/16/981549316.db2.gz SHFMWLBSGZOQLA-UHFFFAOYSA-N -1 3 400.475 3.587 20 0 HHADHM O=C(NCc1nc2cc(Cl)ccc2s1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436769652 981554517 /nfs/dbraw/zinc/55/45/17/981554517.db2.gz ZIPKRLQLIHEELJ-HNNXBMFYSA-N -1 3 415.902 3.576 20 0 HHADHM CN(C(=O)c1ccc(NC(=O)c2cc(F)cc(Cl)c2[O-])cc1)[C@H]1CCCN(C)C1 ZINC000436770240 981554539 /nfs/dbraw/zinc/55/45/39/981554539.db2.gz LRJMMMCIOLDEFC-INIZCTEOSA-N -1 3 419.884 3.603 20 0 HHADHM COc1cc(Cl)c(C)cc1NC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436775386 981556552 /nfs/dbraw/zinc/55/65/52/981556552.db2.gz WWCGFEZOKBTOSQ-UHFFFAOYSA-N -1 3 417.893 3.789 20 0 HHADHM O=c1[nH]c(SCc2noc(-c3ccccc3[O-])n2)nc2c1cnn2-c1ccccc1 ZINC000436778609 981557493 /nfs/dbraw/zinc/55/74/93/981557493.db2.gz RTIJJPKGUMIIOA-UHFFFAOYSA-N -1 3 418.438 3.569 20 0 HHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000436783633 981559828 /nfs/dbraw/zinc/55/98/28/981559828.db2.gz NBGVIPUAFPNVLM-HUUCEWRRSA-N -1 3 404.919 3.632 20 0 HHADHM O=C(c1ccccc1[O-])N1CCN(C(=O)c2cc(-c3ccccn3)ccc2Cl)CC1 ZINC000436786223 981560491 /nfs/dbraw/zinc/56/04/91/981560491.db2.gz HYMCIMJDSVKDRD-UHFFFAOYSA-N -1 3 421.884 3.706 20 0 HHADHM COc1ccc(CCCCCC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436794705 981564938 /nfs/dbraw/zinc/56/49/38/981564938.db2.gz WTTMDJVCTFBHMC-UHFFFAOYSA-N -1 3 424.541 3.925 20 0 HHADHM CN(CC(=O)Nc1cc(F)cc(F)c1)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436796120 981565641 /nfs/dbraw/zinc/56/56/41/981565641.db2.gz UISFVMHCRQVOQB-UHFFFAOYSA-N -1 3 410.420 3.972 20 0 HHADHM CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2cc(OC)c([O-])c(OC)c2)CC1 ZINC000436796250 981566213 /nfs/dbraw/zinc/56/62/13/981566213.db2.gz VJDARVLTIQTTQX-GOSISDBHSA-N -1 3 420.456 3.597 20 0 HHADHM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436797108 981566259 /nfs/dbraw/zinc/56/62/59/981566259.db2.gz DJEBGVNNTMFTHF-GOSISDBHSA-N -1 3 415.921 3.534 20 0 HHADHM COc1ccc(C(=O)N(Cc2cc(C)nc(N3CCCCC3)n2)CC(C)C)c([O-])c1 ZINC000436806599 981570369 /nfs/dbraw/zinc/57/03/69/981570369.db2.gz GRWXZEPHGMXXDP-UHFFFAOYSA-N -1 3 412.534 3.788 20 0 HHADHM COCCC[C@H](CNC(=O)c1cc(NC(C)=O)ccc1[O-])c1ccc(Cl)cc1 ZINC000436810486 981571841 /nfs/dbraw/zinc/57/18/41/981571841.db2.gz BDIQWUOPPHQLIG-MRXNPFEDSA-N -1 3 404.894 3.944 20 0 HHADHM COCCN(Cc1cc(Br)cs1)C(=O)c1ccc(OC)cc1[O-] ZINC000436815534 981573889 /nfs/dbraw/zinc/57/38/89/981573889.db2.gz LGFDDIVAINGARV-UHFFFAOYSA-N -1 3 400.294 3.514 20 0 HHADHM CCOC(=O)c1csc(CCNC(=O)c2cc(Cc3ccccc3)ccc2[O-])n1 ZINC000436819841 981575827 /nfs/dbraw/zinc/57/58/27/981575827.db2.gz ZLAXGUZDSGWBHA-UHFFFAOYSA-N -1 3 410.495 3.589 20 0 HHADHM COCC[C@@H]1CCCCN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000436820532 981576047 /nfs/dbraw/zinc/57/60/47/981576047.db2.gz RRZBTHOKMGWITR-CVDCTZTESA-N -1 3 424.541 3.919 20 0 HHADHM CSc1cccc(F)c1CNC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000436824551 981577274 /nfs/dbraw/zinc/57/72/74/981577274.db2.gz BWDNTTCGIJXSJF-UHFFFAOYSA-N -1 3 415.446 3.732 20 0 HHADHM Cc1nc(-c2ccccc2)sc1NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436827502 981578961 /nfs/dbraw/zinc/57/89/61/981578961.db2.gz KBPJLGXLPSRWBG-UHFFFAOYSA-N -1 3 422.510 3.814 20 0 HHADHM COc1ccc2oc([C@@H](C)NC(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])c(C)c2c1 ZINC000436836797 981583505 /nfs/dbraw/zinc/58/35/05/981583505.db2.gz NDEQOGAIUYROQJ-BEFAXECRSA-N -1 3 422.481 3.937 20 0 HHADHM CS(=O)(=O)c1ccc(CNC(=O)c2cc(Oc3ccccc3)ccc2[O-])s1 ZINC000436839018 981584345 /nfs/dbraw/zinc/58/43/45/981584345.db2.gz LCJYXQCCLSCQOQ-UHFFFAOYSA-N -1 3 403.481 3.580 20 0 HHADHM CCOc1ccc(-c2nc(CN3CCN(C(=O)c4ccccc4[O-])CC3)cs2)cc1 ZINC000436845459 981587148 /nfs/dbraw/zinc/58/71/48/981587148.db2.gz SNJPGONTQMPAFG-UHFFFAOYSA-N -1 3 423.538 3.872 20 0 HHADHM CC(C)c1ccc(C[C@H](C)NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436847716 981588470 /nfs/dbraw/zinc/58/84/70/981588470.db2.gz KZRHSHVZYXPRAI-SFHVURJKSA-N -1 3 409.530 3.614 20 0 HHADHM C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436847832 981588479 /nfs/dbraw/zinc/58/84/79/981588479.db2.gz RPPFOLZSVNGKKP-AWEZNQCLSA-N -1 3 412.877 3.615 20 0 HHADHM CCN1CCCN(C(=O)c2ccsc2NC(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000436860945 981595780 /nfs/dbraw/zinc/59/57/80/981595780.db2.gz RHRKBNRSIFVGDO-UHFFFAOYSA-N -1 3 407.923 3.527 20 0 HHADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)C2(c3cccc(F)c3)CCCCC2)CC1 ZINC000436867441 981597103 /nfs/dbraw/zinc/59/71/03/981597103.db2.gz CJCYWRDHVZPZLF-UHFFFAOYSA-N -1 3 410.489 3.718 20 0 HHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000436884906 981601097 /nfs/dbraw/zinc/60/10/97/981601097.db2.gz BDDSUIZOEJNYRC-IIBYNOLFSA-N -1 3 406.482 3.800 20 0 HHADHM C[C@@H](Oc1ccc(C(=O)NCCNC(=O)c2ccc([O-])cc2)cc1)c1ccccc1 ZINC000436885628 981601417 /nfs/dbraw/zinc/60/14/17/981601417.db2.gz HWGLGVNXOXEVGE-QGZVFWFLSA-N -1 3 404.466 3.692 20 0 HHADHM CC(C)OCc1c2ccccc2oc1C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436888313 981602122 /nfs/dbraw/zinc/60/21/22/981602122.db2.gz SRQFGSDXACDQEH-UHFFFAOYSA-N -1 3 422.481 3.662 20 0 HHADHM O=C(c1ccccc1[O-])N1CCN(C(=O)C2(Sc3ccccc3)CCCC2)CC1 ZINC000436888659 981602130 /nfs/dbraw/zinc/60/21/30/981602130.db2.gz VJDPWBZGUQSIJT-UHFFFAOYSA-N -1 3 410.539 3.782 20 0 HHADHM C[C@@H]1CCC[C@H](OCCCCCC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)C1 ZINC000436888062 981602271 /nfs/dbraw/zinc/60/22/71/981602271.db2.gz SPOZYVIVAOUDHP-UXHICEINSA-N -1 3 416.562 3.832 20 0 HHADHM CC(C)[C@@H](C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1cccc(Cl)c1 ZINC000436889645 981602662 /nfs/dbraw/zinc/60/26/62/981602662.db2.gz YPFYOVZTKBOFIG-HXUWFJFHSA-N -1 3 400.906 3.770 20 0 HHADHM O=C(N[C@H]1CC=C(c2ccc(F)cc2)CC1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436890444 981602993 /nfs/dbraw/zinc/60/29/93/981602993.db2.gz UDDBOFIEVBMTPT-PZJWPPBQSA-N -1 3 408.473 3.888 20 0 HHADHM CCC(=O)[C@H]1CCCCN1C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436893147 981603792 /nfs/dbraw/zinc/60/37/92/981603792.db2.gz ODCPJHAARALINJ-LEWJYISDSA-N -1 3 408.498 3.614 20 0 HHADHM COc1ccc(CNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cc1 ZINC000436905819 981611873 /nfs/dbraw/zinc/61/18/73/981611873.db2.gz VAEIMMHBTJKGJT-QFIPXVFZSA-N -1 3 404.466 3.578 20 0 HHADHM Cc1occc1C(=O)NCC(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000436906253 981612690 /nfs/dbraw/zinc/61/26/90/981612690.db2.gz BKQRFTZCGQVCBE-UHFFFAOYSA-N -1 3 407.451 3.939 20 0 HHADHM COC(=O)[C@@H](NC(=O)c1cc(Oc2ccccc2)ccc1[O-])c1ccc(OC)c(O)c1 ZINC000436913913 981619366 /nfs/dbraw/zinc/61/93/66/981619366.db2.gz HPJLRBGWGXDJQO-NRFANRHFSA-N -1 3 423.421 3.543 20 0 HHADHM [O-]c1ccccc1-c1nc(Cc2cc(Br)c3c(c2)OCCCO3)no1 ZINC000436918951 981623829 /nfs/dbraw/zinc/62/38/29/981623829.db2.gz JQPATNLTHYPRSJ-UHFFFAOYSA-N -1 3 403.232 3.957 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCCCOC1CCCC1 ZINC000436921399 981625074 /nfs/dbraw/zinc/62/50/74/981625074.db2.gz JVDMCMXGEPHYGR-JOCHJYFZSA-N -1 3 410.514 3.719 20 0 HHADHM Cc1csc([C@H](C)NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)n1 ZINC000436922012 981626036 /nfs/dbraw/zinc/62/60/36/981626036.db2.gz LTAMXMGGAGMNBJ-HNAYVOBHSA-N -1 3 409.511 3.896 20 0 HHADHM CC(C)c1ncc(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cn1 ZINC000436928163 981629460 /nfs/dbraw/zinc/62/94/60/981629460.db2.gz QGIKJZAEDVWEAY-HXUWFJFHSA-N -1 3 404.470 3.806 20 0 HHADHM CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)c3cc(CCc4ccccc4)ccc3[O-])[C@@H]2C1 ZINC000436931412 981630950 /nfs/dbraw/zinc/63/09/50/981630950.db2.gz BWMJGQSWRGPKLV-MDNUFGMLSA-N -1 3 406.526 3.554 20 0 HHADHM Cc1nc2sc3c(c2c(NC2CCN(C(=O)c4ccccc4[O-])CC2)n1)CCC3 ZINC000436934115 981632717 /nfs/dbraw/zinc/63/27/17/981632717.db2.gz FSDPPVSWVZACJF-UHFFFAOYSA-N -1 3 408.527 3.911 20 0 HHADHM COc1cccc(C(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)c1[O-] ZINC000436939278 981635672 /nfs/dbraw/zinc/63/56/72/981635672.db2.gz XXQRKBGARDKYBU-UHFFFAOYSA-N -1 3 416.275 3.855 20 0 HHADHM Cc1ccc2nc(C)c(C(=O)NC3CCN(C(=O)c4ccccc4[O-])CC3)cc2c1 ZINC000436940980 981635681 /nfs/dbraw/zinc/63/56/81/981635681.db2.gz BECSQCJXVMUTCZ-UHFFFAOYSA-N -1 3 403.482 3.592 20 0 HHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(Cl)c2cccnc12 ZINC000436944069 981636981 /nfs/dbraw/zinc/63/69/81/981636981.db2.gz LMCFKOYDELAFNC-UHFFFAOYSA-N -1 3 409.873 3.628 20 0 HHADHM O=C(CCCc1c[nH]c2ccccc12)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436944472 981636989 /nfs/dbraw/zinc/63/69/89/981636989.db2.gz MPAQQZWGTIAYQV-UHFFFAOYSA-N -1 3 405.498 3.617 20 0 HHADHM Cc1ccc(Cl)c(O[C@H](C)C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000436948781 981639408 /nfs/dbraw/zinc/63/94/08/981639408.db2.gz VOJAJLNLGGBXPV-OAHLLOKOSA-N -1 3 416.905 3.542 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCCCOc2c(C)cccc2C)c1 ZINC000436948938 981640086 /nfs/dbraw/zinc/64/00/86/981640086.db2.gz KVWXWSVIWROXDO-UHFFFAOYSA-N -1 3 423.469 3.757 20 0 HHADHM CCSc1cccc(F)c1NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436949964 981640598 /nfs/dbraw/zinc/64/05/98/981640598.db2.gz LPIPXBNRNJPVOP-UHFFFAOYSA-N -1 3 403.479 3.633 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)c([O-])c1 ZINC000436950740 981641567 /nfs/dbraw/zinc/64/15/67/981641567.db2.gz CLUUGDUMDHNYSR-UHFFFAOYSA-N -1 3 423.513 3.522 20 0 HHADHM COc1cccc(-n2nc(C)c([C@H]3COCCN3C(=O)c3ccc(C)cc3[O-])c2C)c1 ZINC000436952408 981642057 /nfs/dbraw/zinc/64/20/57/981642057.db2.gz WBFVILCUFUHKMW-OAQYLSRUSA-N -1 3 421.497 3.725 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC[C@@H](C)COCc2ccccc2)c1 ZINC000436952730 981642711 /nfs/dbraw/zinc/64/27/11/981642711.db2.gz XYWSCUWYQRPKDK-OAHLLOKOSA-N -1 3 423.469 3.524 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)c([O-])c1 ZINC000436960608 981649583 /nfs/dbraw/zinc/64/95/83/981649583.db2.gz KPEGEYHEQOJXQR-UHFFFAOYSA-N -1 3 423.513 3.978 20 0 HHADHM COc1ccccc1[C@H]1CCN(C(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])C1 ZINC000436963048 981650215 /nfs/dbraw/zinc/65/02/15/981650215.db2.gz CUZKIFXAQJEZDV-HNNXBMFYSA-N -1 3 421.453 3.579 20 0 HHADHM CCc1cccc2c1OCC[C@H]2NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000436967843 981654485 /nfs/dbraw/zinc/65/44/85/981654485.db2.gz ZIJFZXTVJKGAFV-LJQANCHMSA-N -1 3 421.453 3.757 20 0 HHADHM COc1cccc(C(=O)Nc2nccn2Cc2ccc(Br)cc2)c1[O-] ZINC000436969001 981655585 /nfs/dbraw/zinc/65/55/85/981655585.db2.gz XCSFKGNLKKVIFT-UHFFFAOYSA-N -1 3 402.248 3.660 20 0 HHADHM CCCCOc1ccc(C(=O)N2CCCN(C(=O)c3ccsc3)CC2)c([O-])c1 ZINC000436970976 981656209 /nfs/dbraw/zinc/65/62/09/981656209.db2.gz HYUDFNRWODYJKT-UHFFFAOYSA-N -1 3 402.516 3.621 20 0 HHADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CC2(CCCC2)c2c1cccc2F ZINC000436973335 981658612 /nfs/dbraw/zinc/65/86/12/981658612.db2.gz TWJFXUYNBCSCLI-LJQANCHMSA-N -1 3 408.473 3.995 20 0 HHADHM CCCCOc1ccc(C(=O)N(CC)CC(=O)Nc2cccc(OC)c2)c([O-])c1 ZINC000436973258 981658718 /nfs/dbraw/zinc/65/87/18/981658718.db2.gz SIYIMLFNVBIDER-UHFFFAOYSA-N -1 3 400.475 3.681 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)[C@@H]2Oc3ccccc3[C@@H]2C)c1 ZINC000436975693 981660309 /nfs/dbraw/zinc/66/03/09/981660309.db2.gz LYKRSDHGOWIESZ-OSRJUQGESA-N -1 3 421.453 3.624 20 0 HHADHM C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436978816 981662661 /nfs/dbraw/zinc/66/26/61/981662661.db2.gz IYYUKSQRCAAASR-HNNXBMFYSA-N -1 3 420.431 3.574 20 0 HHADHM CCc1cnccc1[C@H](C)NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000436978701 981662813 /nfs/dbraw/zinc/66/28/13/981662813.db2.gz HYVXDQQWDKCQAS-AWEZNQCLSA-N -1 3 424.526 3.787 20 0 HHADHM COc1cc(C)ccc1NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000436979116 981663708 /nfs/dbraw/zinc/66/37/08/981663708.db2.gz XLADQNQHNGOVEU-UHFFFAOYSA-N -1 3 411.483 3.908 20 0 HHADHM C[C@@H](CC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1cccc(C(F)(F)F)c1 ZINC000436986494 981669435 /nfs/dbraw/zinc/66/94/35/981669435.db2.gz GHDOQKQTZNSPDH-HNNXBMFYSA-N -1 3 420.431 3.889 20 0 HHADHM Cc1cnc([C@H](C)CNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)s1 ZINC000436987640 981670071 /nfs/dbraw/zinc/67/00/71/981670071.db2.gz IQXSBKWQFVNYRE-QRWLVFNGSA-N -1 3 423.538 3.938 20 0 HHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3CC(C)(C)[C@H]3C(C)C)cs2)c1 ZINC000436997833 981675981 /nfs/dbraw/zinc/67/59/81/981675981.db2.gz ARJROCAMXBADGZ-GOSISDBHSA-N -1 3 401.532 3.845 20 0 HHADHM Cc1nc(C)c(CCC(=O)NCc2ccnc(Oc3cccc(C)c3C)c2)c(=O)[n-]1 ZINC000437137934 981788968 /nfs/dbraw/zinc/78/89/68/981788968.db2.gz UXXCVCAGUDZQGO-UHFFFAOYSA-N -1 3 406.486 3.852 20 0 HHADHM CC(C)(COc1ncccc1C(F)(F)F)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000448456662 981791862 /nfs/dbraw/zinc/79/18/62/981791862.db2.gz LODSPWHBJITMFO-UHFFFAOYSA-N -1 3 405.376 3.529 20 0 HHADHM O=C(c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O)N1C[C@@H](O)Cc2ccccc21 ZINC000448462427 981795321 /nfs/dbraw/zinc/79/53/21/981795321.db2.gz UCCFOSSNIUBEAV-KRWDZBQOSA-N -1 3 412.445 3.884 20 0 HHADHM O=C([N-]c1cc(-c2ccccc2F)on1)c1ncoc1-c1ccc2c(c1)OCCO2 ZINC000448492916 981830592 /nfs/dbraw/zinc/83/05/92/981830592.db2.gz QMASSEILMGQKPE-UHFFFAOYSA-N -1 3 407.357 4.159 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2C[C@H]2c2c(F)cccc2F)c1 ZINC000437271212 981927263 /nfs/dbraw/zinc/92/72/63/981927263.db2.gz GHXASWJSNWUTBX-SJKOYZFVSA-N -1 3 413.380 3.505 20 0 HHADHM CCn1cc(C(=O)N=c2cc(-c3cc(Cl)ccc3OC)[n-][nH]2)c(C(F)(F)F)n1 ZINC000437387286 982032887 /nfs/dbraw/zinc/03/28/87/982032887.db2.gz POYARFJKHOLKGY-UHFFFAOYSA-N -1 3 413.787 3.648 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H]2C[C@H](c3ccccc3F)C2)c1 ZINC000437407425 982050801 /nfs/dbraw/zinc/05/08/01/982050801.db2.gz SGKYBGNBDBUQFI-CTYIDZIISA-N -1 3 409.417 3.756 20 0 HHADHM C[C@@H](NC(=O)c1c[n-]c2ccccc2c1=O)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000437527337 982153666 /nfs/dbraw/zinc/15/36/66/982153666.db2.gz KUQXPXYYUBNAGW-WAIKUNEKSA-N -1 3 406.482 3.583 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)Nc3ccc(C)c(OC)c3C)c2)n1 ZINC000437562849 982195471 /nfs/dbraw/zinc/19/54/71/982195471.db2.gz ZQNVKNSBGBCWGT-UHFFFAOYSA-N -1 3 420.469 3.614 20 0 HHADHM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccc(-n3cnc4ccccc43)cc2)cc1 ZINC000460420107 982207472 /nfs/dbraw/zinc/20/74/72/982207472.db2.gz FOFJSAYEGGMPBJ-UHFFFAOYSA-N -1 3 420.494 3.809 20 0 HHADHM O=C(N[C@@H]1C[C@H]1c1ccc2ccccc2c1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000437815372 982374995 /nfs/dbraw/zinc/37/49/95/982374995.db2.gz RHVSCGBHNGHSKO-XZOQPEGZSA-N -1 3 415.493 3.569 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC=C(C)C3)ccc2C)cc1 ZINC000437959472 982489342 /nfs/dbraw/zinc/48/93/42/982489342.db2.gz YTHCHANKFDQGNG-UHFFFAOYSA-N -1 3 400.500 3.597 20 0 HHADHM COC(=O)c1cc(Cl)c([N-]S(=O)(=O)c2cnc3ccsc3c2)cc1OC ZINC000460753443 982510514 /nfs/dbraw/zinc/51/05/14/982510514.db2.gz NUXDGGUSOCHJCE-UHFFFAOYSA-N -1 3 412.876 3.546 20 0 HHADHM CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3ccn(C)c3c2)cc1 ZINC000460841735 982589722 /nfs/dbraw/zinc/58/97/22/982589722.db2.gz VTHGXUZAUWIAHF-UHFFFAOYSA-N -1 3 421.544 3.521 20 0 HHADHM CCc1ccnc(CNC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c1 ZINC000438175277 982633357 /nfs/dbraw/zinc/63/33/57/982633357.db2.gz OZHARUUSYHAYPO-UHFFFAOYSA-N -1 3 416.909 3.563 20 0 HHADHM Cc1cc(O)cc(=O)n1CCC(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000438179676 982635396 /nfs/dbraw/zinc/63/53/96/982635396.db2.gz YEXMRSQUDVABCF-UHFFFAOYSA-N -1 3 421.478 3.873 20 0 HHADHM CCc1ncc(S(=O)(=O)[N-][C@@H](C)[C@H](OC)c2ccc(Br)cc2)s1 ZINC000460918684 982655124 /nfs/dbraw/zinc/65/51/24/982655124.db2.gz BENNQURKWCGGJH-BONVTDFDSA-N -1 3 419.366 3.523 20 0 HHADHM O=S(=O)([N-]Cc1ncc(-c2ccccc2)cn1)c1cc(Br)ccc1F ZINC000460920153 982657135 /nfs/dbraw/zinc/65/71/35/982657135.db2.gz GMQRJADRCBDXEA-UHFFFAOYSA-N -1 3 422.279 3.524 20 0 HHADHM CCc1ncc(S(=O)(=O)[N-][C@H](C)c2cccc(NC(=O)c3ccccc3)c2)s1 ZINC000460967168 982697259 /nfs/dbraw/zinc/69/72/59/982697259.db2.gz YECHVQHQDCWXMA-CQSZACIVSA-N -1 3 415.540 3.997 20 0 HHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(COc4ccc(F)cc4)o3)nc21 ZINC000438346827 982735587 /nfs/dbraw/zinc/73/55/87/982735587.db2.gz MNSKRIZJDBLQAY-UHFFFAOYSA-N -1 3 409.373 3.913 20 0 HHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cccc(OCc4csc(C)n4)c3)nc21 ZINC000438356570 982742451 /nfs/dbraw/zinc/74/24/51/982742451.db2.gz QHXJSCJRCQUMLT-UHFFFAOYSA-N -1 3 422.466 3.946 20 0 HHADHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1Br ZINC000461117078 982810668 /nfs/dbraw/zinc/81/06/68/982810668.db2.gz PEWFDTGXZXNCKW-UHFFFAOYSA-N -1 3 422.684 3.845 20 0 HHADHM Cc1c(CSC(C)C)cccc1NC(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000438476308 982825129 /nfs/dbraw/zinc/82/51/29/982825129.db2.gz OVRUUTSNIGVERK-UHFFFAOYSA-N -1 3 401.532 3.894 20 0 HHADHM CC1(C2CC2)CCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)CC1 ZINC000461190351 982907515 /nfs/dbraw/zinc/90/75/15/982907515.db2.gz DBDPRSWQKKRWIU-UHFFFAOYSA-N -1 3 405.495 3.607 20 0 HHADHM CC(C)[C@H](CC(F)(F)F)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000438616101 982939827 /nfs/dbraw/zinc/93/98/27/982939827.db2.gz UWYODJYLJUJBRR-HNNXBMFYSA-N -1 3 421.416 3.661 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)NC[C@H]3CCN(c4ccccc4F)C3)cc2)cc(=O)[n-]1 ZINC000461236560 982943996 /nfs/dbraw/zinc/94/39/96/982943996.db2.gz AQBPZVOPTDELLD-MRXNPFEDSA-N -1 3 421.476 3.945 20 0 HHADHM O=S(=O)(CCc1ccccc1Br)[N-]c1cnn(Cc2ccccc2)c1 ZINC000461340554 983028078 /nfs/dbraw/zinc/02/80/78/983028078.db2.gz NAVDSUDQEGYOBY-UHFFFAOYSA-N -1 3 420.332 3.678 20 0 HHADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ncccn1 ZINC000461457505 983124335 /nfs/dbraw/zinc/12/43/35/983124335.db2.gz UNPLGUGADLLPSG-MAZHCROVSA-N -1 3 417.307 3.721 20 0 HHADHM Cc1ccccc1-c1nc(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C)no1 ZINC000438897838 983142331 /nfs/dbraw/zinc/14/23/31/983142331.db2.gz FYTGMQJFZKJCGZ-UHFFFAOYSA-N -1 3 411.405 3.851 20 0 HHADHM O=C(Nc1ccc(Br)c(F)c1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000439055719 983230609 /nfs/dbraw/zinc/23/06/09/983230609.db2.gz HWKCDOALHWNJHX-HNNXBMFYSA-N -1 3 407.239 3.537 20 0 HHADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CCc2cc(-c3ccccc3)oc2C1 ZINC000439056629 983231155 /nfs/dbraw/zinc/23/11/55/983231155.db2.gz IYNZRNSEQSKTCD-HXUWFJFHSA-N -1 3 416.477 3.842 20 0 HHADHM O=C(N[C@@H]1COc2c1ccc(Cl)c2Cl)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000439057928 983231629 /nfs/dbraw/zinc/23/16/29/983231629.db2.gz LUFHOICOQVZSPB-HUUCEWRRSA-N -1 3 421.280 3.554 20 0 HHADHM O=C(Nc1cccc(-c2noc(C3CC3)n2)c1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000439060924 983232693 /nfs/dbraw/zinc/23/26/93/983232693.db2.gz QWKDYAKYLQBJPV-GOSISDBHSA-N -1 3 418.453 3.563 20 0 HHADHM Cc1cc(C(=O)N2CCN(C(=O)c3cc(Cc4ccccc4)ccc3[O-])CC2)c(C)o1 ZINC000439062285 983233285 /nfs/dbraw/zinc/23/32/85/983233285.db2.gz XMOZSIAUCNRPTL-UHFFFAOYSA-N -1 3 418.493 3.791 20 0 HHADHM C[C@H](CC(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C)c1ccccc1C(F)(F)F ZINC000461628618 983249573 /nfs/dbraw/zinc/24/95/73/983249573.db2.gz SKFLLUMRTWRPCT-LLVKDONJSA-N -1 3 407.392 3.734 20 0 HHADHM C[C@@H](CC(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C)c1cccc(C(F)(F)F)c1 ZINC000461629605 983250617 /nfs/dbraw/zinc/25/06/17/983250617.db2.gz JSWAODKOMYNTEA-NSHDSACASA-N -1 3 407.392 3.734 20 0 HHADHM O=S(=O)(Cc1cc(Cl)cc(Cl)c1)[N-]Cc1noc(-c2cccc(F)c2)n1 ZINC000439186674 983298447 /nfs/dbraw/zinc/29/84/47/983298447.db2.gz GHBRCXVFDOEIGG-UHFFFAOYSA-N -1 3 416.261 3.802 20 0 HHADHM O=C(Cc1cccc(OC(F)(F)F)c1)NCc1ccc([O-])c(Br)c1 ZINC000439285537 983345688 /nfs/dbraw/zinc/34/56/88/983345688.db2.gz DDFPKIUJDSOOLV-UHFFFAOYSA-N -1 3 404.182 3.912 20 0 HHADHM COC(=O)c1sc2[n-]c(CN3CC[C@@H](c4ccccc4)C[C@@H]3C)nc(=O)c2c1C ZINC000439325063 983365859 /nfs/dbraw/zinc/36/58/59/983365859.db2.gz OTDSHYMNOATDNR-XJKSGUPXSA-N -1 3 411.527 3.848 20 0 HHADHM O=S(=O)([N-]c1ccccc1F)c1c[nH]c(-c2nc([C@H]3CCC(F)(F)C3)no2)c1 ZINC000439576408 983457777 /nfs/dbraw/zinc/45/77/77/983457777.db2.gz SVAKJVUUFBGDFZ-JTQLQIEISA-N -1 3 412.393 3.907 20 0 HHADHM CCN1CCN(c2ccc([N-]S(=O)(=O)c3cc(C)c(F)cc3F)c(C)c2)CC1 ZINC000439890601 983572465 /nfs/dbraw/zinc/57/24/65/983572465.db2.gz NFSNENHDFMDWHI-UHFFFAOYSA-N -1 3 409.502 3.524 20 0 HHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H](C1CCCCC1)C(F)(F)F ZINC000439996013 983609935 /nfs/dbraw/zinc/60/99/35/983609935.db2.gz DLIBPGYWWVMAQC-KRWDZBQOSA-N -1 3 408.424 3.723 20 0 HHADHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000440087336 983639081 /nfs/dbraw/zinc/63/90/81/983639081.db2.gz KDFBPWNPBQCIEL-CYBMUJFWSA-N -1 3 419.264 3.561 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N3[C@H](C)C[C@@H]4CCCC[C@@H]43)c2)n1 ZINC000440332793 983726164 /nfs/dbraw/zinc/72/61/64/983726164.db2.gz DNYVYRRNCKPUQT-VCBZYWHSSA-N -1 3 408.502 3.530 20 0 HHADHM Cc1cc(S(=O)(=O)[N-][C@H](c2nccn2C)c2ccc(Cl)cc2)c(F)cc1F ZINC000440386986 983740663 /nfs/dbraw/zinc/74/06/63/983740663.db2.gz UKVLOBRSFZQALZ-KRWDZBQOSA-N -1 3 411.861 3.728 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]C2(c3ccc(Cl)cc3)CCOCC2)c(F)cc1F ZINC000440398062 983744363 /nfs/dbraw/zinc/74/43/63/983744363.db2.gz KNRVYKHVSAVDQN-UHFFFAOYSA-N -1 3 401.862 3.911 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]C2CCC(c3nc(C)no3)CC2)sc1Br ZINC000440413721 983749291 /nfs/dbraw/zinc/74/92/91/983749291.db2.gz IZTKJWCVJHROQO-UHFFFAOYSA-N -1 3 420.354 3.515 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)C3CC(F)(F)C3)ccc2C)cc1 ZINC000440535301 983787040 /nfs/dbraw/zinc/78/70/40/983787040.db2.gz VCKKUPZUHWNRDX-UHFFFAOYSA-N -1 3 410.442 3.788 20 0 HHADHM O=C(CNC(=O)NCc1ccco1)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000440941532 983991442 /nfs/dbraw/zinc/99/14/42/983991442.db2.gz QVFPYZXHLPNSPO-UHFFFAOYSA-N -1 3 422.466 3.700 20 0 HHADHM CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000440988077 984013661 /nfs/dbraw/zinc/01/36/61/984013661.db2.gz ILFVGZINXHDDHR-QGZVFWFLSA-N -1 3 405.376 3.578 20 0 HHADHM COCc1nc(CNC(=O)NCc2ccc([O-])c(F)c2)c(-c2ccccc2)s1 ZINC000441022364 984026958 /nfs/dbraw/zinc/02/69/58/984026958.db2.gz RCXXZTLPNQRHRR-UHFFFAOYSA-N -1 3 401.463 3.801 20 0 HHADHM Cc1c2cccc(C)c2oc1C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000441405439 984234886 /nfs/dbraw/zinc/23/48/86/984234886.db2.gz VUKTUBSJFFHJTO-UHFFFAOYSA-N -1 3 424.881 3.550 20 0 HHADHM O=C([N-]c1nnc(CC(F)(F)F)s1)c1cc(F)c(F)cc1Br ZINC000441438066 984252313 /nfs/dbraw/zinc/25/23/13/984252313.db2.gz QSPUGNIGEBQAFL-UHFFFAOYSA-N -1 3 402.142 3.936 20 0 HHADHM COc1cc2[nH]c(CCC[N-]S(=O)(=O)c3ccc(Cl)s3)cc2c(OC)c1 ZINC000441542111 984312660 /nfs/dbraw/zinc/31/26/60/984312660.db2.gz DGOOMFSCSZCPKJ-UHFFFAOYSA-N -1 3 414.936 3.811 20 0 HHADHM CCC(C)(C)[C@@H]1CCCN1C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000441593742 984344339 /nfs/dbraw/zinc/34/43/39/984344339.db2.gz TZNSOUVSLWAATM-SFHVURJKSA-N -1 3 407.511 3.995 20 0 HHADHM O=C(NCc1ncccc1[O-])N[C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000461721840 984737731 /nfs/dbraw/zinc/73/77/31/984737731.db2.gz GNXMYSFVFUWAHW-HNNXBMFYSA-N -1 3 415.291 3.908 20 0 HHADHM Cc1cc(N2CCNC2=O)ccc1[N-]S(=O)(=O)c1ccc(OCCC(C)C)cc1 ZINC000442226005 984745600 /nfs/dbraw/zinc/74/56/00/984745600.db2.gz XNVFELWRAYPLBP-UHFFFAOYSA-N -1 3 417.531 3.750 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)NCc1ncc(-c2ccccc2)cn1 ZINC000461941477 984943724 /nfs/dbraw/zinc/94/37/24/984943724.db2.gz LOGOVUJZGFEKEB-UHFFFAOYSA-N -1 3 413.275 3.611 20 0 HHADHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)N(C)c2cccc(C(C)C)c2)CCCC1 ZINC000461975349 984960143 /nfs/dbraw/zinc/96/01/43/984960143.db2.gz XEVHVPMWBPASJX-UHFFFAOYSA-N -1 3 419.547 3.669 20 0 HHADHM C[C@@H](CC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)c(Br)c1 ZINC000462052438 985025911 /nfs/dbraw/zinc/02/59/11/985025911.db2.gz RKQNNVPHRIVVJR-NSHDSACASA-N -1 3 418.270 3.578 20 0 HHADHM C[C@@H](CC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)c(Br)c1 ZINC000462052438 985025922 /nfs/dbraw/zinc/02/59/22/985025922.db2.gz RKQNNVPHRIVVJR-NSHDSACASA-N -1 3 418.270 3.578 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCCCF)c(Br)c1 ZINC000462119038 985089092 /nfs/dbraw/zinc/08/90/92/985089092.db2.gz CQCKVRBIBBUBIH-UHFFFAOYSA-N -1 3 403.111 3.548 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(Cl)c2Cl)cn1 ZINC000442619259 985095882 /nfs/dbraw/zinc/09/58/82/985095882.db2.gz LLNLWNUPPOKTSI-UHFFFAOYSA-N -1 3 412.092 3.960 20 0 HHADHM O=S(=O)([N-][C@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1cnccc1C(F)(F)F ZINC000442734050 985192353 /nfs/dbraw/zinc/19/23/53/985192353.db2.gz DWWFYNYPOVLDNK-DZGCQCFKSA-N -1 3 406.813 3.562 20 0 HHADHM O=S(=O)([N-]Cc1ccnc(OC2CCCCC2)c1)c1cnccc1C(F)(F)F ZINC000442744969 985199747 /nfs/dbraw/zinc/19/97/47/985199747.db2.gz NWBDTKINWLTBFA-UHFFFAOYSA-N -1 3 415.437 3.685 20 0 HHADHM O=S(=O)([N-][C@@H]1CCCOc2c(Cl)cccc21)c1cnccc1C(F)(F)F ZINC000442749185 985201657 /nfs/dbraw/zinc/20/16/57/985201657.db2.gz MBKSBLIPJKQIDJ-CYBMUJFWSA-N -1 3 406.813 3.946 20 0 HHADHM CC[C@@](C)(COc1ncccc1Cl)[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000442773757 985211936 /nfs/dbraw/zinc/21/19/36/985211936.db2.gz YLALMWIXVXIQOO-HNNXBMFYSA-N -1 3 423.844 3.675 20 0 HHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(Cc2cc(C(F)(F)F)n[nH]2)CC1 ZINC000442799105 985219900 /nfs/dbraw/zinc/21/99/00/985219900.db2.gz JVOXHQJLYYFCAW-UHFFFAOYSA-N -1 3 402.804 3.638 20 0 HHADHM C[C@H](Cc1cccc(Br)c1)[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000442806653 985221259 /nfs/dbraw/zinc/22/12/59/985221259.db2.gz CNJUDCCNPRQOBI-SNVBAGLBSA-N -1 3 423.254 3.772 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C[C@@H](C)Oc1cccc(F)c1 ZINC000442810795 985222805 /nfs/dbraw/zinc/22/28/05/985222805.db2.gz NWUDEOIBKQGGEO-GFCCVEGCSA-N -1 3 423.487 3.573 20 0 HHADHM O=S(=O)([N-]Cc1ccc(-n2cnc3ccccc32)cc1)c1cc(F)c(F)c(F)c1 ZINC000462254116 985238159 /nfs/dbraw/zinc/23/81/59/985238159.db2.gz BASWEVPPBFTRQQ-UHFFFAOYSA-N -1 3 417.412 3.921 20 0 HHADHM O=S(=O)([N-][C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1ccc(Br)cn1 ZINC000462257085 985243372 /nfs/dbraw/zinc/24/33/72/985243372.db2.gz IGFGGUJBVUQIKU-DGCLKSJQSA-N -1 3 421.238 3.697 20 0 HHADHM Cc1ccccc1CS(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000442888688 985262322 /nfs/dbraw/zinc/26/23/22/985262322.db2.gz CHAHCBKXJRFVSJ-JOCHJYFZSA-N -1 3 408.523 3.664 20 0 HHADHM C[C@H](c1cccc(Cl)c1)N(C)S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000442918517 985279896 /nfs/dbraw/zinc/27/98/96/985279896.db2.gz HCVDSWFITNIYGV-SNVBAGLBSA-N -1 3 412.302 3.555 20 0 HHADHM C[C@H](c1cccc(Cl)c1)N(C)S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000442918517 985279903 /nfs/dbraw/zinc/27/99/03/985279903.db2.gz HCVDSWFITNIYGV-SNVBAGLBSA-N -1 3 412.302 3.555 20 0 HHADHM CC1(C)CN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)[C@@H]2CCC[C@H]2O1 ZINC000442930745 985285639 /nfs/dbraw/zinc/28/56/39/985285639.db2.gz BCXBUKPRWXSDRI-YPAWHYETSA-N -1 3 422.525 3.812 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2C)c(Br)c1 ZINC000462301646 985287352 /nfs/dbraw/zinc/28/73/52/985287352.db2.gz YXFUCAXULPKOHA-JOYOIKCWSA-N -1 3 411.159 3.987 20 0 HHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2cccc(NC(=O)N(C)C)c2)c1Cl ZINC000462311588 985298851 /nfs/dbraw/zinc/29/88/51/985298851.db2.gz CAXZEPWXLJVCSQ-UHFFFAOYSA-N -1 3 416.330 3.874 20 0 HHADHM O=C1[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2Cl)CCCN1c1ccccc1Cl ZINC000462313639 985300233 /nfs/dbraw/zinc/30/02/33/985300233.db2.gz INLDCASUMIRHIV-AWEZNQCLSA-N -1 3 417.289 3.606 20 0 HHADHM O=C1[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2F)CCCN1c1ccccc1Cl ZINC000462317353 985305613 /nfs/dbraw/zinc/30/56/13/985305613.db2.gz NBNQKLDFNMPVTE-CYBMUJFWSA-N -1 3 417.289 3.606 20 0 HHADHM CCCCOc1ccc([N-]S(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)C3)c(C)c1 ZINC000462352879 985341499 /nfs/dbraw/zinc/34/14/99/985341499.db2.gz AJIFDVHAYXYUFU-UHFFFAOYSA-N -1 3 414.527 3.810 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](C)c1cc(Cl)ccc1Cl ZINC000443040873 985349919 /nfs/dbraw/zinc/34/99/19/985349919.db2.gz WLLMNDHXJLGFTI-VIFPVBQESA-N -1 3 406.262 3.959 20 0 HHADHM CC(C)[C@H](C)N1Cc2cccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)c2C1 ZINC000462366435 985353565 /nfs/dbraw/zinc/35/35/65/985353565.db2.gz SJBPZCBTRWEGAL-HNNXBMFYSA-N -1 3 402.516 3.619 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C(C)(C)c1ccc(OCC(C)C)cc1 ZINC000443062155 985358314 /nfs/dbraw/zinc/35/83/14/985358314.db2.gz ARMOOFAWSROINQ-UHFFFAOYSA-N -1 3 423.506 3.861 20 0 HHADHM CCOc1cc(-c2noc(CN(C)[C@@H]3CCSC3)n2)cc(Br)c1[O-] ZINC000443094036 985371617 /nfs/dbraw/zinc/37/16/17/985371617.db2.gz KLHJECIZUDOFJO-LLVKDONJSA-N -1 3 414.325 3.541 20 0 HHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](c1ccc(OC)cc1)C(C)C ZINC000443097928 985373484 /nfs/dbraw/zinc/37/34/84/985373484.db2.gz WDHHTCWOKUMCMK-GOSISDBHSA-N -1 3 411.907 3.811 20 0 HHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](C)c1cccc(Cl)c1Cl ZINC000443109793 985379924 /nfs/dbraw/zinc/37/99/24/985379924.db2.gz MBWIVNJGYKWQBD-VIFPVBQESA-N -1 3 406.262 3.959 20 0 HHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)c1cccs1 ZINC000443128267 985393806 /nfs/dbraw/zinc/39/38/06/985393806.db2.gz KEVIEVMICDPTAD-KRWDZBQOSA-N -1 3 419.499 3.936 20 0 HHADHM CCc1nc(C(C)(C)[N-]S(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)no1 ZINC000443148296 985408102 /nfs/dbraw/zinc/40/81/02/985408102.db2.gz UNHPHTZZOCUTHD-UHFFFAOYSA-N -1 3 413.927 3.678 20 0 HHADHM COCc1nc(C[N-]S(=O)(=O)c2cc(F)cc(F)c2)c(-c2ccccc2)s1 ZINC000443224455 985451027 /nfs/dbraw/zinc/45/10/27/985451027.db2.gz JDSQTYZBEQXPHO-UHFFFAOYSA-N -1 3 410.467 3.713 20 0 HHADHM COCc1nc(C[N-]S(=O)(=O)c2cccc(F)c2F)c(-c2ccccc2)s1 ZINC000443226680 985451680 /nfs/dbraw/zinc/45/16/80/985451680.db2.gz QUUFWFSRIHMFCG-UHFFFAOYSA-N -1 3 410.467 3.713 20 0 HHADHM COCc1nc(C[N-]S(=O)(=O)c2ccc(F)cc2F)c(-c2ccccc2)s1 ZINC000443230033 985453288 /nfs/dbraw/zinc/45/32/88/985453288.db2.gz ZPENKNFVFIELBQ-UHFFFAOYSA-N -1 3 410.467 3.713 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H](c1ncc(C)s1)C1CC1 ZINC000443254833 985460504 /nfs/dbraw/zinc/46/05/04/985460504.db2.gz XNKVUZMDLNSIRR-AWEZNQCLSA-N -1 3 422.553 3.882 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCc2ccc3ccccc3n2)s1 ZINC000462516285 985466579 /nfs/dbraw/zinc/46/65/79/985466579.db2.gz HJZMDCZWALUBOH-UHFFFAOYSA-N -1 3 411.346 3.888 20 0 HHADHM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)[C@@H](C)CC ZINC000462566987 985514623 /nfs/dbraw/zinc/51/46/23/985514623.db2.gz VRUAKDWDUPZGFH-ZANVPECISA-N -1 3 401.834 3.615 20 0 HHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000443355893 985519050 /nfs/dbraw/zinc/51/90/50/985519050.db2.gz CLIWADDQKHXWFG-AWEZNQCLSA-N -1 3 414.458 3.714 20 0 HHADHM COC(=O)c1nscc1S(=O)(=O)[N-]C(C)(C)Cc1ccc(Cl)cc1Cl ZINC000443366242 985527007 /nfs/dbraw/zinc/52/70/07/985527007.db2.gz BIZPVGTZGRWUGF-UHFFFAOYSA-N -1 3 423.343 3.536 20 0 HHADHM CC1(C)CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)CC(C)(C)O1 ZINC000443385749 985543025 /nfs/dbraw/zinc/54/30/25/985543025.db2.gz HWBBYKQMWZXXMH-UHFFFAOYSA-N -1 3 420.506 3.656 20 0 HHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C[C@@H](C)Sc2ccccc2)cc1Cl ZINC000462603029 985547683 /nfs/dbraw/zinc/54/76/83/985547683.db2.gz NRUINBOFFIPXLH-LLVKDONJSA-N -1 3 416.927 3.897 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)COc3ccc(O)cc3)cc2)cc1 ZINC000467924875 985558530 /nfs/dbraw/zinc/55/85/30/985558530.db2.gz RMKPBQKBMJJPTR-UHFFFAOYSA-N -1 3 412.467 3.519 20 0 HHADHM O=S(=O)(Cc1coc(-c2c(F)cccc2F)n1)c1nc(CCC2CCCC2)n[n-]1 ZINC000443408381 985563162 /nfs/dbraw/zinc/56/31/62/985563162.db2.gz STQSPTJFYFJDCR-UHFFFAOYSA-N -1 3 422.457 3.835 20 0 HHADHM O=S(=O)(Cc1coc(-c2c(F)cccc2F)n1)c1nnc(CCC2CCCC2)[n-]1 ZINC000443408381 985563168 /nfs/dbraw/zinc/56/31/68/985563168.db2.gz STQSPTJFYFJDCR-UHFFFAOYSA-N -1 3 422.457 3.835 20 0 HHADHM COCc1nc(OC)cc(Oc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)n1 ZINC000443436011 985593623 /nfs/dbraw/zinc/59/36/23/985593623.db2.gz ZPRZDKZQDGRLMH-UHFFFAOYSA-N -1 3 415.471 3.533 20 0 HHADHM O=S(=O)([N-][C@H]1CCO[C@@H](c2ccccc2)C1)c1cc(Br)ccc1F ZINC000462673556 985611503 /nfs/dbraw/zinc/61/15/03/985611503.db2.gz IHQFZSVBEVPNKY-GOEBONIOSA-N -1 3 414.296 3.787 20 0 HHADHM COc1ccc(C)nc1NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000462698213 985640072 /nfs/dbraw/zinc/64/00/72/985640072.db2.gz BVLDGPPWVVGJMJ-UHFFFAOYSA-N -1 3 418.881 3.640 20 0 HHADHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1sc(C)cc1Br)C1CCCCC1 ZINC000462699647 985641965 /nfs/dbraw/zinc/64/19/65/985641965.db2.gz FAZDTCHKGWJMRD-CYBMUJFWSA-N -1 3 424.382 3.609 20 0 HHADHM COC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2cc(Cl)c(C)cc2Cl)c1 ZINC000443471874 985646731 /nfs/dbraw/zinc/64/67/31/985646731.db2.gz ZZSCBIYYXSLENX-UHFFFAOYSA-N -1 3 404.271 3.898 20 0 HHADHM O=S(=O)([N-]CCc1ccn(-c2ccc(F)cc2)n1)c1c(Cl)cccc1Cl ZINC000462707415 985651159 /nfs/dbraw/zinc/65/11/59/985651159.db2.gz YOWJMLAWAHZNOM-UHFFFAOYSA-N -1 3 414.289 3.839 20 0 HHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)[C@@H](O)Cc1ccccc1 ZINC000443481083 985655208 /nfs/dbraw/zinc/65/52/08/985655208.db2.gz DQOGMFIFHVJFBT-ABAIWWIYSA-N -1 3 407.841 3.629 20 0 HHADHM Cc1nn(-c2ccccc2)c(C)c1[C@@H](NC(=O)NCc1ncccc1[O-])C(F)(F)F ZINC000468007926 985659162 /nfs/dbraw/zinc/65/91/62/985659162.db2.gz ZZMYNZLCHIZBOL-GOSISDBHSA-N -1 3 419.407 3.693 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@H](C)Oc2ccc(C)cc2)s1 ZINC000462719082 985665983 /nfs/dbraw/zinc/66/59/83/985665983.db2.gz MEJKLHCDAJUTAB-LLVKDONJSA-N -1 3 404.351 3.873 20 0 HHADHM COc1cccc(O[C@@H](C)C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1 ZINC000462721955 985668493 /nfs/dbraw/zinc/66/84/93/985668493.db2.gz NWVFEHWVNWATEQ-NSHDSACASA-N -1 3 407.385 3.599 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@H](C)Oc2cccc(C)c2)s1 ZINC000462727136 985674481 /nfs/dbraw/zinc/67/44/81/985674481.db2.gz LPNHMGWNHLUKTP-NSHDSACASA-N -1 3 404.351 3.873 20 0 HHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H](c3c(F)cccc3Cl)N(C)C)cc2)n1 ZINC000468048113 985706354 /nfs/dbraw/zinc/70/63/54/985706354.db2.gz DUHHZKYQDUNSKO-IBGZPJMESA-N -1 3 414.868 3.779 20 0 HHADHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N1CCC(c2cccc(Cl)c2Cl)CC1 ZINC000462770263 985706804 /nfs/dbraw/zinc/70/68/04/985706804.db2.gz XNZDODAYXKWEQI-UHFFFAOYSA-N -1 3 403.265 3.897 20 0 HHADHM O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1cc(=O)c2ccccc2[n-]1 ZINC000443557565 985728424 /nfs/dbraw/zinc/72/84/24/985728424.db2.gz IPBACCZYZYOPDF-OAQYLSRUSA-N -1 3 411.461 3.508 20 0 HHADHM CS[C@@H](C)C[N-]S(=O)(=O)c1c(Br)cc(C)cc1Br ZINC000443740679 985954767 /nfs/dbraw/zinc/95/47/67/985954767.db2.gz BOOZLABUKZCRLG-QMMMGPOBSA-N -1 3 417.188 3.550 20 0 HHADHM Cc1noc(C)c1[C@@H](C)C[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000443745985 985960340 /nfs/dbraw/zinc/96/03/40/985960340.db2.gz JROMPKHBIHRUTH-QMMMGPOBSA-N -1 3 407.717 3.789 20 0 HHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCc2c(F)cc(F)cc2[C@H]1C ZINC000468340805 986036867 /nfs/dbraw/zinc/03/68/67/986036867.db2.gz IORPUTDXTATQBR-CYBMUJFWSA-N -1 3 410.424 3.519 20 0 HHADHM CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2C)C(F)(F)F 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SHDJVXAHEHJTJT-LIRRHRJNSA-N -1 3 424.423 3.763 20 0 HHADHM Cc1ncc(C[N-]S(=O)(=O)c2ccc(Br)c(Cl)c2Cl)s1 ZINC000444063134 986264875 /nfs/dbraw/zinc/26/48/75/986264875.db2.gz PFPDZHQNDYIAQF-UHFFFAOYSA-N -1 3 416.149 3.999 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000468588153 986296028 /nfs/dbraw/zinc/29/60/28/986296028.db2.gz SUVVCAOUCKWCAD-UHFFFAOYSA-N -1 3 408.876 3.991 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)NCc1cccc(NC(=O)c2ccncc2)c1 ZINC000468626640 986343679 /nfs/dbraw/zinc/34/36/79/986343679.db2.gz HIIOMWOAZZSYLJ-UHFFFAOYSA-N -1 3 407.445 3.818 20 0 HHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CC1CCN(CC(F)(F)F)CC1 ZINC000444213392 986396770 /nfs/dbraw/zinc/39/67/70/986396770.db2.gz BYYUGEATYYEVMK-UHFFFAOYSA-N -1 3 424.872 3.947 20 0 HHADHM CC[C@]1(c2ccc(NC(=O)CCCc3ccc([O-])c(F)c3)cc2)CCC(=O)NC1=O ZINC000468747858 986461631 /nfs/dbraw/zinc/46/16/31/986461631.db2.gz MRXKYPPTUUUDQU-HSZRJFAPSA-N -1 3 412.461 3.577 20 0 HHADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CCOC[C@@H]1c1ccccc1 ZINC000444296781 986482769 /nfs/dbraw/zinc/48/27/69/986482769.db2.gz HILDARAQAMFJKU-GOSISDBHSA-N -1 3 413.271 3.504 20 0 HHADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CCO[C@H](c2ccsc2)C1 ZINC000444301873 986487547 /nfs/dbraw/zinc/48/75/47/986487547.db2.gz OIQPOLUZDFURRZ-INIZCTEOSA-N -1 3 419.300 3.566 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1ccc(CC(=O)N2CCSCC2)cc1 ZINC000468814498 986523947 /nfs/dbraw/zinc/52/39/47/986523947.db2.gz DHEUCXNUABSMRR-UHFFFAOYSA-N -1 3 416.518 3.611 20 0 HHADHM CCOC(=O)c1ccc(NC(=O)c2nn(-c3c(F)cccc3F)cc2C)c([O-])c1 ZINC000468844325 986553999 /nfs/dbraw/zinc/55/39/99/986553999.db2.gz FPFXWVSNMZDZCL-UHFFFAOYSA-N -1 3 401.369 3.594 20 0 HHADHM COc1cc(OC)cc(N(C)C(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)c1 ZINC000444416690 986598355 /nfs/dbraw/zinc/59/83/55/986598355.db2.gz XWDPAGVWTNYSMM-UHFFFAOYSA-N -1 3 422.359 3.721 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)NCc1ccc(NC(=O)c2ccncc2)cc1 ZINC000468917000 986624495 /nfs/dbraw/zinc/62/44/95/986624495.db2.gz KMSSHBPLNLMKFY-UHFFFAOYSA-N -1 3 407.445 3.818 20 0 HHADHM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)s1 ZINC000468921343 986627883 /nfs/dbraw/zinc/62/78/83/986627883.db2.gz KLSSNHUOWQSHEZ-SNVBAGLBSA-N -1 3 401.941 3.718 20 0 HHADHM Cc1n[nH]cc1-c1nnc([N-]C(=O)c2csc(Cc3ccc(F)cc3)n2)s1 ZINC000444462917 986645244 /nfs/dbraw/zinc/64/52/44/986645244.db2.gz HBNYQKTYQBYGRO-UHFFFAOYSA-N -1 3 400.464 3.675 20 0 HHADHM Cc1n[nH]cc1-c1nnc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])s1 ZINC000444487713 986680617 /nfs/dbraw/zinc/68/06/17/986680617.db2.gz WOVFFXRKHAGILL-UHFFFAOYSA-N -1 3 407.455 3.774 20 0 HHADHM CCCCOCCCNC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000469056476 986767804 /nfs/dbraw/zinc/76/78/04/986767804.db2.gz SYRIPJZZHSYMEM-UHFFFAOYSA-N -1 3 415.715 3.881 20 0 HHADHM COC(=O)[C@@H]([N-]S(=O)(=O)Cc1ccc(C)c(F)c1)c1ccc2ccccc2c1 ZINC000469087741 986800930 /nfs/dbraw/zinc/80/09/30/986800930.db2.gz YDSUXBNANVRVGB-FQEVSTJZSA-N -1 3 401.459 3.621 20 0 HHADHM COC(=O)[C@@H]([N-]S(=O)(=O)Cc1cccc(C(F)(F)F)c1)c1cc(C)cc(C)c1 ZINC000469092268 986805646 /nfs/dbraw/zinc/80/56/46/986805646.db2.gz ZBKHEGQGANYIRN-KRWDZBQOSA-N -1 3 415.433 3.656 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCCC34CCC4)ccc2C)cc1 ZINC000444632099 986817652 /nfs/dbraw/zinc/81/76/52/986817652.db2.gz YBRAVVNYOXRVPA-UHFFFAOYSA-N -1 3 414.527 3.963 20 0 HHADHM COC(=O)CCN(Cc1ccc(F)c(F)c1)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000469110147 986826498 /nfs/dbraw/zinc/82/64/98/986826498.db2.gz XMCHPENUEPCYJY-UHFFFAOYSA-N -1 3 409.404 3.724 20 0 HHADHM Cc1ccc(CNC(=O)CCCc2ccc([O-])c(F)c2)c(OC[C@@H]2CCOC2)c1 ZINC000469110821 986827198 /nfs/dbraw/zinc/82/71/98/986827198.db2.gz WMNYDPOPXKMQRK-GOSISDBHSA-N -1 3 401.478 3.894 20 0 HHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CC[C@@H](CC(F)(F)F)C3)nc(=O)c2c1C ZINC000444700810 986874621 /nfs/dbraw/zinc/87/46/21/986874621.db2.gz PEVBDDUQWQWUIG-QWRGUYRKSA-N -1 3 417.453 3.805 20 0 HHADHM CCN(CC)Cc1nc(C2([N-]S(=O)(=O)c3ccccc3C(C)C)CCCC2)no1 ZINC000469183394 986907644 /nfs/dbraw/zinc/90/76/44/986907644.db2.gz BVRILIRELUNAPV-UHFFFAOYSA-N -1 3 420.579 3.783 20 0 HHADHM CCOC(=O)c1nc(C2CCN(C(=O)C(C)(C)Cc3cccc(Cl)c3)CC2)n[n-]1 ZINC000444751302 986913543 /nfs/dbraw/zinc/91/35/43/986913543.db2.gz ANPCJWRACIKDSI-UHFFFAOYSA-N -1 3 418.925 3.610 20 0 HHADHM CCOC(=O)c1nnc(C2CCN(C(=O)C(C)(C)Cc3cccc(Cl)c3)CC2)[n-]1 ZINC000444751302 986913554 /nfs/dbraw/zinc/91/35/54/986913554.db2.gz ANPCJWRACIKDSI-UHFFFAOYSA-N -1 3 418.925 3.610 20 0 HHADHM CCOC(=O)c1nc(C2CCN(C(=O)C3CCC(c4ccccc4)CC3)CC2)n[n-]1 ZINC000444751308 986913580 /nfs/dbraw/zinc/91/35/80/986913580.db2.gz AOQYXXWRFLEURX-UHFFFAOYSA-N -1 3 410.518 3.661 20 0 HHADHM CCOC(=O)c1nnc(C2CCN(C(=O)C3CCC(c4ccccc4)CC3)CC2)[n-]1 ZINC000444751308 986913592 /nfs/dbraw/zinc/91/35/92/986913592.db2.gz AOQYXXWRFLEURX-UHFFFAOYSA-N -1 3 410.518 3.661 20 0 HHADHM CCOC(=O)c1nc(C2CCN(C(=O)[C@H]3C[C@H]3c3cccc4ccccc43)CC2)n[n-]1 ZINC000444755907 986917091 /nfs/dbraw/zinc/91/70/91/986917091.db2.gz GQUNMUHKRJTRTB-PMACEKPBSA-N -1 3 418.497 3.644 20 0 HHADHM CCOC(=O)c1nnc(C2CCN(C(=O)[C@H]3C[C@H]3c3cccc4ccccc43)CC2)[n-]1 ZINC000444755907 986917097 /nfs/dbraw/zinc/91/70/97/986917097.db2.gz GQUNMUHKRJTRTB-PMACEKPBSA-N -1 3 418.497 3.644 20 0 HHADHM CCOC(=O)c1nc(C2CCN(C(=O)c3ccc4c(c3)Cc3ccccc3-4)CC2)n[n-]1 ZINC000444763838 986924728 /nfs/dbraw/zinc/92/47/28/986924728.db2.gz VQCNYBGOVCXPEU-UHFFFAOYSA-N -1 3 416.481 3.572 20 0 HHADHM CCOC(=O)c1nnc(C2CCN(C(=O)c3ccc4c(c3)Cc3ccccc3-4)CC2)[n-]1 ZINC000444763838 986924733 /nfs/dbraw/zinc/92/47/33/986924733.db2.gz VQCNYBGOVCXPEU-UHFFFAOYSA-N -1 3 416.481 3.572 20 0 HHADHM Cc1nc(C)c(CC(=O)N2CCC[C@@H]2c2cc(F)cc(Br)c2)c(=O)[n-]1 ZINC000469239330 986960123 /nfs/dbraw/zinc/96/01/23/986960123.db2.gz YWEFNUHMIUXWCI-MRXNPFEDSA-N -1 3 408.271 3.607 20 0 HHADHM O=C([N-]c1nnc(CC2CCCCC2)s1)c1cn(Cc2cccc(F)c2)nn1 ZINC000469251424 986969956 /nfs/dbraw/zinc/96/99/56/986969956.db2.gz YVYCMHFXJAVYIU-UHFFFAOYSA-N -1 3 400.483 3.692 20 0 HHADHM CC[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC ZINC000469324904 987034859 /nfs/dbraw/zinc/03/48/59/987034859.db2.gz YSOJYIJMFMBQJA-CMPLNLGQSA-N -1 3 403.850 3.763 20 0 HHADHM CCOC(=O)c1nc(C2CCN(C(=O)Nc3ccccc3SC(C)C)CC2)n[n-]1 ZINC000444921553 987069142 /nfs/dbraw/zinc/06/91/42/987069142.db2.gz NBBMDSYPQZWVQL-UHFFFAOYSA-N -1 3 417.535 3.893 20 0 HHADHM CCOC(=O)c1nnc(C2CCN(C(=O)Nc3ccccc3SC(C)C)CC2)[n-]1 ZINC000444921553 987069153 /nfs/dbraw/zinc/06/91/53/987069153.db2.gz NBBMDSYPQZWVQL-UHFFFAOYSA-N -1 3 417.535 3.893 20 0 HHADHM CCO[C@H](C[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC)c1ccccc1 ZINC000444978599 987107332 /nfs/dbraw/zinc/10/73/32/987107332.db2.gz GGGHNSGALQXSLS-MRXNPFEDSA-N -1 3 419.524 3.744 20 0 HHADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@H](C)c2ccc(Cl)cc2Cl)s1 ZINC000444987021 987116172 /nfs/dbraw/zinc/11/61/72/987116172.db2.gz ZUUGKQZBNRQPCW-MRVPVSSYSA-N -1 3 424.327 3.890 20 0 HHADHM CCOC(=O)c1nc(C2CCN(C(=O)Nc3ccc(O[C@H](C)CC)cc3)CC2)n[n-]1 ZINC000445236750 987296210 /nfs/dbraw/zinc/29/62/10/987296210.db2.gz HNTHVTAESRDNGJ-CQSZACIVSA-N -1 3 415.494 3.570 20 0 HHADHM CCOC(=O)c1nnc(C2CCN(C(=O)Nc3ccc(O[C@H](C)CC)cc3)CC2)[n-]1 ZINC000445236750 987296218 /nfs/dbraw/zinc/29/62/18/987296218.db2.gz HNTHVTAESRDNGJ-CQSZACIVSA-N -1 3 415.494 3.570 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000469797138 987440501 /nfs/dbraw/zinc/44/05/01/987440501.db2.gz BVEVWBOYNFZRLM-QGZVFWFLSA-N -1 3 408.832 3.568 20 0 HHADHM CN(c1nc(CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cs1)C1CC1 ZINC000469805028 987445754 /nfs/dbraw/zinc/44/57/54/987445754.db2.gz WHZBFQFJOLMJLQ-UHFFFAOYSA-N -1 3 410.528 3.869 20 0 HHADHM COCCCn1c(=O)c2ccc(Cl)cc2nc1S[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000469805952 987446417 /nfs/dbraw/zinc/44/64/17/987446417.db2.gz GWIBGCLEIAAUPG-LBPRGKRZSA-N -1 3 420.922 3.744 20 0 HHADHM Cc1cc(=O)[n-]c([C@H](C)Sc2nnc(S[C@@H](C)c3nc(C)cc(=O)[nH]3)s2)n1 ZINC000469807755 987447843 /nfs/dbraw/zinc/44/78/43/987447843.db2.gz IJAOYRFLNRKBDE-UWVGGRQHSA-N -1 3 422.561 3.853 20 0 HHADHM Cc1cc(Br)ccc1-c1noc(-c2ccc([N-]S(C)(=O)=O)cc2)n1 ZINC000445457172 987524306 /nfs/dbraw/zinc/52/43/06/987524306.db2.gz LYKWGQBUANJUAF-UHFFFAOYSA-N -1 3 408.277 3.846 20 0 HHADHM Cc1cc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3ccc(Cl)cc3)n2)cc(C)c1O ZINC000445477381 987540738 /nfs/dbraw/zinc/54/07/38/987540738.db2.gz NTPMBGSWDAZQLA-GFCCVEGCSA-N -1 3 407.879 3.752 20 0 HHADHM Cc1cc(NC(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)nn1-c1ccc(Cl)cc1Cl ZINC000469915517 987544965 /nfs/dbraw/zinc/54/49/65/987544965.db2.gz GVIWRSQGCCKMFS-OAHLLOKOSA-N -1 3 421.288 3.550 20 0 HHADHM CC(C)[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)C(F)(F)F ZINC000469923304 987551288 /nfs/dbraw/zinc/55/12/88/987551288.db2.gz AIGUJBDGPUCKNZ-INIZCTEOSA-N -1 3 418.412 3.943 20 0 HHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)Cc2cncs2)cc1 ZINC000445619829 987691560 /nfs/dbraw/zinc/69/15/60/987691560.db2.gz KNNQAQJFPUFVEG-UHFFFAOYSA-N -1 3 401.513 3.742 20 0 HHADHM CCO[C@@H](c1noc([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2)n1)c1ccccc1 ZINC000445780462 987843051 /nfs/dbraw/zinc/84/30/51/987843051.db2.gz DAAZQKBKUBANQI-SUMWQHHRSA-N -1 3 421.906 3.888 20 0 HHADHM CCO[C@@H](c1noc(-c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)n1)c1ccccc1 ZINC000445799213 987859830 /nfs/dbraw/zinc/85/98/30/987859830.db2.gz UZEUKAUKZRCMGH-GOSISDBHSA-N -1 3 419.478 3.688 20 0 HHADHM CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000464182830 988304618 /nfs/dbraw/zinc/30/46/18/988304618.db2.gz GBWLRBWKZWKUBJ-IFXJQAMLSA-N -1 3 407.511 3.995 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]CC(=O)c1ccccc1Cl ZINC000464183837 988305941 /nfs/dbraw/zinc/30/59/41/988305941.db2.gz IGNWHCXDKKNQPA-UHFFFAOYSA-N -1 3 423.899 3.503 20 0 HHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(OC)c2)cc1Br ZINC000470447118 988425054 /nfs/dbraw/zinc/42/50/54/988425054.db2.gz WHNRSZRNDGZLQO-UHFFFAOYSA-N -1 3 416.293 3.666 20 0 HHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000464304099 988430912 /nfs/dbraw/zinc/43/09/12/988430912.db2.gz ODXXMFRUWNVVIF-CYBMUJFWSA-N -1 3 419.268 3.722 20 0 HHADHM Cc1cccc(-n2cc(C(=O)[N-]c3nnc(Cc4cccc(Cl)c4)s3)nn2)c1 ZINC000464339376 988482135 /nfs/dbraw/zinc/48/21/35/988482135.db2.gz SRHRLEYPWPVQPE-UHFFFAOYSA-N -1 3 410.890 3.924 20 0 HHADHM O=C([N-]c1nnc(Cc2cccc(Cl)c2)s1)c1cn(Cc2ccccc2)nn1 ZINC000464354259 988507005 /nfs/dbraw/zinc/50/70/05/988507005.db2.gz SSSSTYARGAVBET-UHFFFAOYSA-N -1 3 410.890 3.674 20 0 HHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CCc1nc2ccc(F)cc2n1C ZINC000470599793 988616586 /nfs/dbraw/zinc/61/65/86/988616586.db2.gz KBRCJTGSVLWXHJ-UHFFFAOYSA-N -1 3 421.881 3.941 20 0 HHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H](CC(=O)N(C)C)c1ccccc1 ZINC000470614471 988631748 /nfs/dbraw/zinc/63/17/48/988631748.db2.gz UXKRZCQKQOGSPB-KRWDZBQOSA-N -1 3 420.918 3.893 20 0 HHADHM O=c1[n-]nc(SCc2cc(Br)cc3cccnc32)n1C[C@@H]1CCCO1 ZINC000470818409 988884150 /nfs/dbraw/zinc/88/41/50/988884150.db2.gz XQSSBHGCYUZJPL-AWEZNQCLSA-N -1 3 421.320 3.766 20 0 HHADHM COc1cc(Br)ccc1[C@H](C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000470825193 988895892 /nfs/dbraw/zinc/89/58/92/988895892.db2.gz RMRTVARMFPPAHM-NSHDSACASA-N -1 3 401.260 3.790 20 0 HHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CCS[C@H](C(C)C)C3)nc(=O)c2c1C ZINC000464767882 988991104 /nfs/dbraw/zinc/99/11/04/988991104.db2.gz DPJWQUZHWKSLPT-STQMWFEESA-N -1 3 409.577 3.604 20 0 HHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CCC(C(F)(F)F)CC3)nc(=O)c2c1C ZINC000464781895 989009923 /nfs/dbraw/zinc/00/99/23/989009923.db2.gz WPZLLCZUQPNUBP-JTQLQIEISA-N -1 3 417.453 3.805 20 0 HHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1cccn(Cc2ccccc2)c1=O ZINC000471112781 989215646 /nfs/dbraw/zinc/21/56/46/989215646.db2.gz LXEOLUDVMMFJLT-UHFFFAOYSA-N -1 3 412.442 3.891 20 0 HHADHM Cc1noc(C)c1S(=O)(=O)[N-]Cc1cc(Cl)cc(Cl)c1OC(F)F ZINC000465507271 989857067 /nfs/dbraw/zinc/85/70/67/989857067.db2.gz YJBVWBMPWRRRHX-UHFFFAOYSA-N -1 3 401.218 3.678 20 0 HHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C)c2cn(-c3ccccc3)nn2)c1Cl ZINC000471871519 990043936 /nfs/dbraw/zinc/04/39/36/990043936.db2.gz PVGBGBYGRNTPNE-GFCCVEGCSA-N -1 3 411.314 3.922 20 0 HHADHM CCc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3cccc4ncccc43)n2)cc1 ZINC000471898916 990069297 /nfs/dbraw/zinc/06/92/97/990069297.db2.gz WUTAPTADVFNRAE-AWEZNQCLSA-N -1 3 408.483 3.887 20 0 HHADHM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1nnn(-c2ccc3c(c2)OCCO3)c1C ZINC000472015233 990184094 /nfs/dbraw/zinc/18/40/94/990184094.db2.gz CFMZEYLNTVEKIF-UHFFFAOYSA-N -1 3 417.425 3.563 20 0 HHADHM COc1cccc(O[C@@H](C)CNC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)c1 ZINC000466200650 991398629 /nfs/dbraw/zinc/39/86/29/991398629.db2.gz ZXLQGUMKAVSCGI-AWEZNQCLSA-N -1 3 408.458 3.755 20 0 HHADHM CC[C@@H](Cc1ccccc1Br)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000466313457 991567805 /nfs/dbraw/zinc/56/78/05/991567805.db2.gz XBXOIUAYKXZKQU-LBPRGKRZSA-N -1 3 400.280 3.837 20 0 HHADHM CC[C@@H](Cc1ccccc1Br)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000466313457 991567816 /nfs/dbraw/zinc/56/78/16/991567816.db2.gz XBXOIUAYKXZKQU-LBPRGKRZSA-N -1 3 400.280 3.837 20 0 HHADHM O=S(=O)([N-]c1cc(Cl)ccc1F)c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC000466970763 992282313 /nfs/dbraw/zinc/28/23/13/992282313.db2.gz IAGJZTPNOINEEM-LLVKDONJSA-N -1 3 403.834 3.834 20 0 HHADHM O=S(=O)([N-][C@H]1CCN(c2ncccc2Cl)C1)c1c(Cl)cccc1Cl ZINC000467124310 992439867 /nfs/dbraw/zinc/43/98/67/992439867.db2.gz GLJFVQYZYAWYKX-JTQLQIEISA-N -1 3 406.722 3.599 20 0 HHADHM CC(C)CO[C@@H](C)c1noc(CN(C)Cc2nc3c4ccccc4oc3c(=O)[n-]2)n1 ZINC000467159274 992477423 /nfs/dbraw/zinc/47/74/23/992477423.db2.gz PDQZDKTZQAERID-ZDUSSCGKSA-N -1 3 411.462 3.830 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H]3C=CCCC3)c2)cc1 ZINC000467272728 992594435 /nfs/dbraw/zinc/59/44/35/992594435.db2.gz HJNAWSMVJXPHRB-MRXNPFEDSA-N -1 3 400.500 3.643 20 0 HHADHM O=C(NCc1ccc([O-])c(F)c1)[C@@H](c1ccc(Br)cc1)N1CCCC1 ZINC000467376242 992693273 /nfs/dbraw/zinc/69/32/73/992693273.db2.gz ITKKIRFUNUVRQQ-GOSISDBHSA-N -1 3 407.283 3.747 20 0 HHADHM O=C(NCc1ccc([O-])c(F)c1)[C@H](c1ccc(Br)cc1)N1CCCC1 ZINC000467376243 992693494 /nfs/dbraw/zinc/69/34/94/992693494.db2.gz ITKKIRFUNUVRQQ-SFHVURJKSA-N -1 3 407.283 3.747 20 0 HHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc3nc(C4CCCCC4)[nH]c3c2)c[nH]1 ZINC000467424010 992724294 /nfs/dbraw/zinc/72/42/94/992724294.db2.gz QKVLSQCDOWHDRC-UHFFFAOYSA-N -1 3 402.476 3.526 20 0 HHADHM O=C(NC[C@H](O)COc1ccc(C(F)(F)F)cc1)c1cc([O-])c2ccccc2c1 ZINC000472302607 993315438 /nfs/dbraw/zinc/31/54/38/993315438.db2.gz CQRGJETUPHZBSH-INIZCTEOSA-N -1 3 405.372 3.734 20 0 HHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](C)c1noc(Cc2ccccc2)n1 ZINC000472321031 993331806 /nfs/dbraw/zinc/33/18/06/993331806.db2.gz PPLZLRLREUOFHS-CYBMUJFWSA-N -1 3 415.446 3.894 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]Cc2ncoc2-c2ccccc2)sc1Br ZINC000472321572 993332875 /nfs/dbraw/zinc/33/28/75/993332875.db2.gz QDMGFZFGADTTRO-UHFFFAOYSA-N -1 3 413.318 3.953 20 0 HHADHM CC[C@H]1CN(C(C)=O)[C@@H](CC)CN1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000472341826 993347565 /nfs/dbraw/zinc/34/75/65/993347565.db2.gz AJRJXNGYIMZTOM-GJZGRUSLSA-N -1 3 414.531 3.878 20 0 HHADHM COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)c1 ZINC000472456125 993458408 /nfs/dbraw/zinc/45/84/08/993458408.db2.gz RAZGDNHIWJFDAB-PKOBYXMFSA-N -1 3 405.454 3.505 20 0 HHADHM CN(C(=O)c1cc([O-])c2ccccc2c1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000472477519 993480238 /nfs/dbraw/zinc/48/02/38/993480238.db2.gz NDDXVMKWLWOCKZ-GOSISDBHSA-N -1 3 413.271 3.607 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N(C)Cc1cccn1C ZINC000472605102 993557835 /nfs/dbraw/zinc/55/78/35/993557835.db2.gz WUFOERDBSBDUBO-UHFFFAOYSA-N -1 3 415.490 3.546 20 0 HHADHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2oc3ccc(Cl)cc3c2C)C12CCOCC2 ZINC000472608005 993559323 /nfs/dbraw/zinc/55/93/23/993559323.db2.gz JAUHJYRKGCKBBB-IAGOWNOFSA-N -1 3 413.923 3.647 20 0 HHADHM CCCOc1ccc(CNC(=O)c2cc(=O)c3ccccc3[n-]2)c(OC(F)F)c1 ZINC000472655204 993587180 /nfs/dbraw/zinc/58/71/80/993587180.db2.gz APNKIYUOLVJYDC-UHFFFAOYSA-N -1 3 402.397 3.848 20 0 HHADHM O=S(=O)([N-]CCCOc1ccc(C(F)(F)F)cn1)c1ccc(Cl)s1 ZINC000480748019 993614911 /nfs/dbraw/zinc/61/49/11/993614911.db2.gz KHDMBCRPLMNMJC-UHFFFAOYSA-N -1 3 400.831 3.563 20 0 HHADHM CC(C)n1ncc2c1C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)CC2 ZINC000480853964 993726209 /nfs/dbraw/zinc/72/62/09/993726209.db2.gz QUDXJJBEQYGNCP-CYBMUJFWSA-N -1 3 421.872 3.972 20 0 HHADHM CCCC(=O)Nc1ccc(Cl)c(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)c1 ZINC000480909057 993764841 /nfs/dbraw/zinc/76/48/41/993764841.db2.gz GYAQCLQNOSMEKT-UHFFFAOYSA-N -1 3 404.780 3.537 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C(C)(C)CF)cc1Br ZINC000472955363 993887994 /nfs/dbraw/zinc/88/79/94/993887994.db2.gz QOOJOGHYSRYMGN-UHFFFAOYSA-N -1 3 403.111 3.546 20 0 HHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)N(C)CCCCO)ccc2C)c(C)c1 ZINC000472974014 993908623 /nfs/dbraw/zinc/90/86/23/993908623.db2.gz APGOUOKLFIPPEC-UHFFFAOYSA-N -1 3 418.559 3.566 20 0 HHADHM Cc1ccc(Sc2ccc(NC(=O)C(=O)NCc3ncccc3[O-])cc2)c(C)c1 ZINC000473061138 993981772 /nfs/dbraw/zinc/98/17/72/993981772.db2.gz XNNBXEZGHMMDKU-UHFFFAOYSA-N -1 3 407.495 3.810 20 0 HHADHM [O-]c1cc(F)cc(CN2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)c1 ZINC000473132653 994018601 /nfs/dbraw/zinc/01/86/01/994018601.db2.gz NGVGDWBWMJHCOW-UHFFFAOYSA-N -1 3 402.857 3.553 20 0 HHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccc(OC(F)F)cc1)c1cnccc1C(F)(F)F ZINC000481250527 994076824 /nfs/dbraw/zinc/07/68/24/994076824.db2.gz BMUGPMSIKFZYNH-WCQYABFASA-N -1 3 408.348 3.536 20 0 HHADHM Cc1nc(C)c(CC(=O)N[C@@](C)(c2ccc(Br)cc2)C(C)C)c(=O)[n-]1 ZINC000481296687 994112212 /nfs/dbraw/zinc/11/22/12/994112212.db2.gz UCPYDLVGPRZRBF-LJQANCHMSA-N -1 3 406.324 3.792 20 0 HHADHM CCC1(c2ccc(Cl)cc2)CCN(C(=O)c2cc(S(=O)(=O)[N-]C)oc2C)CC1 ZINC000473318889 994180167 /nfs/dbraw/zinc/18/01/67/994180167.db2.gz HHYGCGHXNJMOIB-UHFFFAOYSA-N -1 3 424.950 3.734 20 0 HHADHM CO[C@@]1(C)CCCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)ccc2C)C1 ZINC000473355545 994217260 /nfs/dbraw/zinc/21/72/60/994217260.db2.gz MTGCOQWBFFSKQZ-QFIPXVFZSA-N -1 3 416.543 3.745 20 0 HHADHM CN(C)C(=O)Nc1ccc(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1 ZINC000481497981 994330502 /nfs/dbraw/zinc/33/05/02/994330502.db2.gz ZWNQRZWMMIUGGN-UHFFFAOYSA-N -1 3 408.332 3.627 20 0 HHADHM O=S(=O)(Cc1ccc(F)c(Cl)c1)[N-][C@H](CO)c1c(Cl)cccc1Cl ZINC000481504559 994336669 /nfs/dbraw/zinc/33/66/69/994336669.db2.gz FFRJHRGQMXJPSX-CQSZACIVSA-N -1 3 412.697 3.939 20 0 HHADHM O=C(NCc1ncccc1[O-])c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC000473631381 994511951 /nfs/dbraw/zinc/51/19/51/994511951.db2.gz WTLUZZHNPMGEPY-UHFFFAOYSA-N -1 3 424.297 3.599 20 0 HHADHM COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)NCc2ncccc2[O-])c1 ZINC000473636339 994518061 /nfs/dbraw/zinc/51/80/61/994518061.db2.gz GETHQMJQHLXRIQ-UHFFFAOYSA-N -1 3 414.465 3.638 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ncoc2-c2ccc(F)cc2)cc1OC ZINC000473758770 994670661 /nfs/dbraw/zinc/67/06/61/994670661.db2.gz RBVVIVRMTBKKNW-UHFFFAOYSA-N -1 3 419.434 3.503 20 0 HHADHM CN(C)Cc1ccc([N-]S(=O)(=O)c2ccc(OC(F)F)c(F)c2)cc1Cl ZINC000481883808 994748355 /nfs/dbraw/zinc/74/83/55/994748355.db2.gz SFXCUQGKMOEMAV-UHFFFAOYSA-N -1 3 408.829 3.943 20 0 HHADHM Cc1ccsc1-c1nc(=NC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)s[n-]1 ZINC000473836433 994770059 /nfs/dbraw/zinc/77/00/59/994770059.db2.gz MWLOWCHLFYFZSQ-MRXNPFEDSA-N -1 3 413.572 3.735 20 0 HHADHM CCOc1ccc(C(=O)CCC(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)cc1F ZINC000473843219 994779857 /nfs/dbraw/zinc/77/98/57/994779857.db2.gz OEILHMCGTICPJP-UHFFFAOYSA-N -1 3 423.444 3.885 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(C(=O)Nc3cccnc3)cc2)sc1Cl ZINC000473866208 994805891 /nfs/dbraw/zinc/80/58/91/994805891.db2.gz ZJPWPEQYBWRTIW-UHFFFAOYSA-N -1 3 421.931 3.836 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]C2CCN(C(=O)c3ccc(C)cc3)CC2)sc1Cl ZINC000473868057 994808318 /nfs/dbraw/zinc/80/83/18/994808318.db2.gz VXERYSLNDJHXCI-UHFFFAOYSA-N -1 3 412.964 3.601 20 0 HHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cccc(CN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000473877976 994823798 /nfs/dbraw/zinc/82/37/98/994823798.db2.gz OPXHCJAAXZYJNH-GASCZTMLSA-N -1 3 412.534 3.650 20 0 HHADHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(Oc2ccccc2C(N)=O)cc1 ZINC000481975084 994868881 /nfs/dbraw/zinc/86/88/81/994868881.db2.gz QLTPIZXJHHEBKB-UHFFFAOYSA-N -1 3 400.431 3.826 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]Cc2ccnc(OCC(F)(F)F)c2)sc1Cl ZINC000473911257 994874835 /nfs/dbraw/zinc/87/48/35/994874835.db2.gz JVYLTRFDHZQDAI-UHFFFAOYSA-N -1 3 400.831 3.525 20 0 HHADHM O=S(=O)([N-]c1c(F)cccc1N1CCCC1)c1ccc(OCC(F)(F)F)nc1 ZINC000481982508 994879407 /nfs/dbraw/zinc/87/94/07/994879407.db2.gz HLGJVYWOZNNXMT-UHFFFAOYSA-N -1 3 419.400 3.563 20 0 HHADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)sc1Cl ZINC000473938550 994912787 /nfs/dbraw/zinc/91/27/87/994912787.db2.gz SNZSZCMHODVWAG-HIFRSBDPSA-N -1 3 406.907 3.712 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000482062693 994994925 /nfs/dbraw/zinc/99/49/25/994994925.db2.gz SGLMTWAHUHLQSC-MRXNPFEDSA-N -1 3 422.451 3.510 20 0 HHADHM COc1ccc(OC)c([C@@H](C)NC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000482095024 995037306 /nfs/dbraw/zinc/03/73/06/995037306.db2.gz FNRDBLZWTXXIDI-LLVKDONJSA-N -1 3 409.280 3.732 20 0 HHADHM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2cccc(Br)c2C)o1 ZINC000474116806 995092539 /nfs/dbraw/zinc/09/25/39/995092539.db2.gz NYVSIMIYRKSKDF-AWEZNQCLSA-N -1 3 402.310 3.579 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@H](CC(C)(C)C)C(F)(F)F ZINC000482156147 995110376 /nfs/dbraw/zinc/11/03/76/995110376.db2.gz CXELFCPXVUQBJA-HNNXBMFYSA-N -1 3 410.440 3.556 20 0 HHADHM COC[C@H]([N-]S(=O)(=O)c1ccc(Oc2ccc(OC)cc2)cc1)c1ccco1 ZINC000474179231 995168999 /nfs/dbraw/zinc/16/89/99/995168999.db2.gz WQGZBKYPNCINBI-IBGZPJMESA-N -1 3 403.456 3.747 20 0 HHADHM CCCNC(=O)c1ccc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cc1Cl ZINC000474302729 995291917 /nfs/dbraw/zinc/29/19/17/995291917.db2.gz JESIIMQDVKHHDF-UHFFFAOYSA-N -1 3 404.898 3.834 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H]2COc3ccc(Cl)cc32)s1 ZINC000474303687 995292222 /nfs/dbraw/zinc/29/22/22/995292222.db2.gz QDMQVJPJUYTDRS-NSHDSACASA-N -1 3 408.726 3.884 20 0 HHADHM CC(=O)Nc1cccc([C@H](C)NC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000482323860 995302419 /nfs/dbraw/zinc/30/24/19/995302419.db2.gz ZXOXLPFAURVKCF-NSHDSACASA-N -1 3 406.280 3.674 20 0 HHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000474327218 995309654 /nfs/dbraw/zinc/30/96/54/995309654.db2.gz IUDNVZAGQOXCIL-UHFFFAOYSA-N -1 3 416.953 3.836 20 0 HHADHM CC(C)[C@@H]1CC[C@@H](NC(=O)c2[nH]c(=O)[n-]c(=O)c2N)[C@@H](Cc2ccc(Cl)cc2)C1 ZINC000482344591 995323223 /nfs/dbraw/zinc/32/32/23/995323223.db2.gz SKPPHWHWOKFYPS-IJEWVQPXSA-N -1 3 418.925 3.537 20 0 HHADHM CC1(C)CCC[C@@H](NC(=O)c2c[n-]c3ccc(I)cc3c2=O)C1 ZINC000474476557 995436088 /nfs/dbraw/zinc/43/60/88/995436088.db2.gz ZUTVABKZLIBXFV-GFCCVEGCSA-N -1 3 424.282 3.831 20 0 HHADHM COc1ccccc1C1(CNC(=O)NCc2ccc([O-])c(Br)c2)CC1 ZINC000482476588 995481883 /nfs/dbraw/zinc/48/18/83/995481883.db2.gz FMLRCLFKBNZSRH-UHFFFAOYSA-N -1 3 405.292 3.694 20 0 HHADHM CCOc1cn(-c2ccccc2)nc1C(=O)[N-]c1cc(C(=O)OC)c(F)cc1F ZINC000482486746 995495018 /nfs/dbraw/zinc/49/50/18/995495018.db2.gz IOWIGOMOLRCKSL-UHFFFAOYSA-N -1 3 401.369 3.588 20 0 HHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1 ZINC000474589104 995548277 /nfs/dbraw/zinc/54/82/77/995548277.db2.gz IFBHZLYXDVSVPV-UHFFFAOYSA-N -1 3 416.406 3.973 20 0 HHADHM C[C@H]1CCC[C@H](NC(=O)c2c[n-]c3ccc(I)cc3c2=O)CC1 ZINC000474659683 995605566 /nfs/dbraw/zinc/60/55/66/995605566.db2.gz QGNFPVHBVCXNDD-AAEUAGOBSA-N -1 3 424.282 3.831 20 0 HHADHM O=C(N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)c1cc(=O)c2ccccc2[n-]1 ZINC000482688409 995680111 /nfs/dbraw/zinc/68/01/11/995680111.db2.gz DKUOOMFQWZYFGE-LBPRGKRZSA-N -1 3 402.281 3.844 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1ccc2c(c1)NC(=O)CS2 ZINC000482689452 995680949 /nfs/dbraw/zinc/68/09/49/995680949.db2.gz FNHRNICBIAFTST-UHFFFAOYSA-N -1 3 408.277 3.521 20 0 HHADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1 ZINC000474773996 995702578 /nfs/dbraw/zinc/70/25/78/995702578.db2.gz ILDZLQAEFIUQOZ-AWEZNQCLSA-N -1 3 422.437 3.661 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)NCc1ccc(OCc2cccc(F)c2)cc1 ZINC000482765824 995734373 /nfs/dbraw/zinc/73/43/73/995734373.db2.gz IFEWECBLVZKSHO-UHFFFAOYSA-N -1 3 423.370 3.541 20 0 HHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000474882272 995775323 /nfs/dbraw/zinc/77/53/23/995775323.db2.gz UWQGEBCXEOQDMH-IBGZPJMESA-N -1 3 402.372 3.761 20 0 HHADHM CCOC1CC(CCNC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)C1 ZINC000474911364 995796095 /nfs/dbraw/zinc/79/60/95/995796095.db2.gz INMSZURQFLNPMR-UHFFFAOYSA-N -1 3 420.506 3.562 20 0 HHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1nnc(Cc2cccc(Cl)c2)s1 ZINC000474974373 995838739 /nfs/dbraw/zinc/83/87/39/995838739.db2.gz XCGZAUJRSBMVEP-UHFFFAOYSA-N -1 3 407.908 3.561 20 0 HHADHM C[C@@H]1CCSCCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000482941198 995868951 /nfs/dbraw/zinc/86/89/51/995868951.db2.gz GIMBLWQOKMGKNX-CQSZACIVSA-N -1 3 408.520 3.594 20 0 HHADHM COC(=O)c1ccc(C(=O)[N-]c2n[nH]c(-c3cccc(C(F)(F)F)c3)n2)c(F)c1 ZINC000482959934 995882352 /nfs/dbraw/zinc/88/23/52/995882352.db2.gz LQUGIWUEZCMVEU-UHFFFAOYSA-N -1 3 408.311 3.669 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1ccc(CN2CCCC2=O)cc1 ZINC000483028944 995929465 /nfs/dbraw/zinc/92/94/65/995929465.db2.gz WVHWARCBYYISPE-UHFFFAOYSA-N -1 3 418.291 3.599 20 0 HHADHM Cc1cccc2c(=O)c(C(=O)Nc3cccc(C[S@@](=O)C4CCOCC4)c3)c[n-]c12 ZINC000483058768 995946537 /nfs/dbraw/zinc/94/65/37/995946537.db2.gz QRGPKXDOXUKFTJ-SSEXGKCCSA-N -1 3 424.522 3.517 20 0 HHADHM Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483081616 995959928 /nfs/dbraw/zinc/95/99/28/995959928.db2.gz IGVYRPKHNJKSLZ-CYBMUJFWSA-N -1 3 409.437 3.977 20 0 HHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@H](CO)c3ccccc3)c2)cc1 ZINC000483083546 995962059 /nfs/dbraw/zinc/96/20/59/995962059.db2.gz PVEDMWPYPNFINR-JOCHJYFZSA-N -1 3 424.522 3.568 20 0 HHADHM COc1ccccc1[C@](N)(C(=O)Nc1ccc([O-])c(C(F)(F)F)c1)C(F)(F)F ZINC000483163797 996011825 /nfs/dbraw/zinc/01/18/25/996011825.db2.gz ZTGYSCFNLIJSRB-HNNXBMFYSA-N -1 3 408.298 3.775 20 0 HHADHM COc1ccccc1[C@@](N)(C(=O)Nc1ccc([O-])c(C(F)(F)F)c1)C(F)(F)F ZINC000483163798 996011894 /nfs/dbraw/zinc/01/18/94/996011894.db2.gz ZTGYSCFNLIJSRB-OAHLLOKOSA-N -1 3 408.298 3.775 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1cnn(Cc2ccccc2)c1 ZINC000483170630 996015938 /nfs/dbraw/zinc/01/59/38/996015938.db2.gz SYZCKRKXXYDUOL-UHFFFAOYSA-N -1 3 401.264 3.721 20 0 HHADHM CC1(C)CN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C[C@]2(CCCOC2)O1 ZINC000483360755 996124990 /nfs/dbraw/zinc/12/49/90/996124990.db2.gz XCJIRBOLLFKMQH-NRFANRHFSA-N -1 3 415.515 3.817 20 0 HHADHM CCc1nnc([O-])c(CNC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)c1CC ZINC000475456823 996152277 /nfs/dbraw/zinc/15/22/77/996152277.db2.gz KHLBEVPVCPZYIQ-UHFFFAOYSA-N -1 3 421.526 3.946 20 0 HHADHM CO[C@@H]1CCC[C@H](CC(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)C1 ZINC000475659086 996283068 /nfs/dbraw/zinc/28/30/68/996283068.db2.gz 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Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CCc1nn(C)c2ccccc12 ZINC000476225864 996689309 /nfs/dbraw/zinc/68/93/09/996689309.db2.gz UEIWGXIUBZNEAT-UHFFFAOYSA-N -1 3 403.891 3.802 20 0 HHADHM COc1ccc(C(=O)NCc2ccc([O-])c(Br)c2)c(OC(F)F)c1 ZINC000476327121 996757762 /nfs/dbraw/zinc/75/77/62/996757762.db2.gz NHXZZFQLJPCLJQ-UHFFFAOYSA-N -1 3 402.191 3.695 20 0 HHADHM Cc1cnc([C@@H]([N-]S(=O)(=O)c2ccc(Br)cc2F)C2CC2)s1 ZINC000476333097 996762380 /nfs/dbraw/zinc/76/23/80/996762380.db2.gz CJQAKYMRUJSFBH-ZDUSSCGKSA-N -1 3 405.314 3.783 20 0 HHADHM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(OCc4ccccn4)c(F)c3)ccc2O1 ZINC000476386109 996831266 /nfs/dbraw/zinc/83/12/66/996831266.db2.gz CXXZZBKCRMGOSA-CQSZACIVSA-N -1 3 414.458 3.924 20 0 HHADHM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1ccc2ncsc2c1)c1ccco1 ZINC000476402061 996859812 /nfs/dbraw/zinc/85/98/12/996859812.db2.gz CZEQZNGYSRRIAN-LJQANCHMSA-N -1 3 400.481 3.966 20 0 HHADHM COC(=O)c1cnc(SCc2csc(N(C(C)=O)c3ccccc3OC)n2)[n-]1 ZINC000484557692 996890099 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20 0 HHADHM Cc1ccncc1CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000477931076 998664612 /nfs/dbraw/zinc/66/46/12/998664612.db2.gz XYCYTWBXXBNRMG-UHFFFAOYSA-N -1 3 413.474 3.602 20 0 HHADHM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(CN(C)C)c(Cl)c1 ZINC000478042022 998730538 /nfs/dbraw/zinc/73/05/38/998730538.db2.gz PEBJTOIVQXDORN-UHFFFAOYSA-N -1 3 409.939 3.806 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CC[C@H](COCc2ccccc2)C1 ZINC000486422297 998759528 /nfs/dbraw/zinc/75/95/28/998759528.db2.gz FWHGBYHSBIOTFI-KRWDZBQOSA-N -1 3 419.319 3.903 20 0 HHADHM C[C@H]1CN(C(=O)NCc2ccc([O-])c(Br)c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000486640320 998871005 /nfs/dbraw/zinc/87/10/05/998871005.db2.gz NHQOJTILLJDODE-SGTLLEGYSA-N -1 3 423.282 3.965 20 0 HHADHM CCCN(C(=O)NCc1ccc([O-])c(Br)c1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000486647694 998874454 /nfs/dbraw/zinc/87/44/54/998874454.db2.gz BXGXVWNZAOWXKA-XKQJLSEDSA-N -1 3 411.340 3.890 20 0 HHADHM Cc1cccc(C)c1NC(=O)CN(C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000486651337 998876658 /nfs/dbraw/zinc/87/66/58/998876658.db2.gz NBZFLVFDWZVICA-UHFFFAOYSA-N -1 3 420.307 3.552 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CC=C(c2ccc(O)cc2)CC1 ZINC000486655867 998879097 /nfs/dbraw/zinc/87/90/97/998879097.db2.gz VTTKBADCHKVURZ-UHFFFAOYSA-N -1 3 403.276 3.859 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)N3CCCC3)c2)n1 ZINC000486675365 998888573 /nfs/dbraw/zinc/88/85/73/998888573.db2.gz WZNYURVOOYVTSA-UXHICEINSA-N -1 3 422.529 3.779 20 0 HHADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@H]2CCC[C@@H](c3ccccc3)C2)s1 ZINC000486708608 998902559 /nfs/dbraw/zinc/90/25/59/998902559.db2.gz ZOKXQVFBAQHKFJ-CABCVRRESA-N -1 3 409.529 3.548 20 0 HHADHM COc1ccc(-c2nc([N-]C(=O)c3cnc(-c4ccsc4)s3)n[nH]2)c(OC)c1 ZINC000487031475 999042547 /nfs/dbraw/zinc/04/25/47/999042547.db2.gz KLXOTRHWNBOIGY-UHFFFAOYSA-N -1 3 413.484 3.926 20 0 HHADHM O=S(=O)([N-]C[C@@H]1SCCc2ccccc21)c1ccc(Br)s1 ZINC000487133850 999077172 /nfs/dbraw/zinc/07/71/72/999077172.db2.gz SUPUDANHBPBOFB-LBPRGKRZSA-N -1 3 404.376 3.820 20 0 HHADHM COc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000487291563 999125922 /nfs/dbraw/zinc/12/59/22/999125922.db2.gz FAAHYLWKRRZEKU-XOBRGWDASA-N -1 3 413.861 3.956 20 0 HHADHM COC[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)c1ccc(Cl)cc1 ZINC000487379779 999154077 /nfs/dbraw/zinc/15/40/77/999154077.db2.gz QFORHEKNADRIAM-CQSZACIVSA-N -1 3 422.703 3.908 20 0 HHADHM Cc1cc(=O)[n-]c([C@H](C)Sc2nnc(-c3ccc(F)cc3)n2C[C@@H]2CCCO2)n1 ZINC000487477679 999192125 /nfs/dbraw/zinc/19/21/25/999192125.db2.gz YZNWDZHALHENJJ-BBRMVZONSA-N -1 3 415.494 3.921 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@H]2CCCc3ccc(F)cc32)cc1OC ZINC000478913115 999206740 /nfs/dbraw/zinc/20/67/40/999206740.db2.gz TYGLJMITILKXQW-KRWDZBQOSA-N -1 3 421.494 3.795 20 0 HHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc([C@H](C)N3CCOCC3)cc2)c(C)c1 ZINC000479310131 999378179 /nfs/dbraw/zinc/37/81/79/999378179.db2.gz IYXZJIFDBCKFCT-KRWDZBQOSA-N -1 3 404.532 3.588 20 0 HHADHM 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1009297800 /nfs/dbraw/zinc/29/78/00/1009297800.db2.gz YJDFSMFFQNYKNM-IUODEOHRSA-N -1 3 407.363 3.747 20 0 HHADHM CCc1cccc(C(=O)N2CCC[C@@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)c1[O-] ZINC000543711619 1009315707 /nfs/dbraw/zinc/31/57/07/1009315707.db2.gz DCSGATRVEGYGMA-GOSISDBHSA-N -1 3 418.497 3.950 20 0 HHADHM CS(=O)(=O)[N-]c1ccc(-c2nc(Cc3ccc(OC(F)(F)F)cc3)no2)cc1 ZINC000546318327 1009335677 /nfs/dbraw/zinc/33/56/77/1009335677.db2.gz QTMZEMMDHWQDRQ-UHFFFAOYSA-N -1 3 413.377 3.598 20 0 HHADHM CCCCN(CCOC)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000520270977 1009388292 /nfs/dbraw/zinc/38/82/92/1009388292.db2.gz QNHCMSYAVRMASA-UHFFFAOYSA-N -1 3 422.522 3.824 20 0 HHADHM O=C(Nc1nc2cc3c(cc2s1)OC(F)(F)O3)c1c[n-]c2ccccc2c1=O ZINC000520293038 1009417208 /nfs/dbraw/zinc/41/72/08/1009417208.db2.gz RDBFTOKDYUEIRQ-UHFFFAOYSA-N -1 3 401.350 3.712 20 0 HHADHM O=C(N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1c(F)ccc([O-])c1F ZINC000520459652 1009569412 /nfs/dbraw/zinc/56/94/12/1009569412.db2.gz BCDOGSJYDFWJAT-ZDUSSCGKSA-N -1 3 400.347 3.694 20 0 HHADHM COc1ccc(C)cc1-n1ccc(C(=O)Nc2ccc(Br)cc2[O-])n1 ZINC000520483412 1009586604 /nfs/dbraw/zinc/58/66/04/1009586604.db2.gz SVJHWPOEARVCOG-UHFFFAOYSA-N -1 3 402.248 3.910 20 0 HHADHM Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000520593734 1009671081 /nfs/dbraw/zinc/67/10/81/1009671081.db2.gz MURPZUZHJVHJIU-AWEZNQCLSA-N -1 3 410.518 3.551 20 0 HHADHM CC(C)CCN1Cc2cccc([N-]S(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)c2C1 ZINC000544078437 1009684217 /nfs/dbraw/zinc/68/42/17/1009684217.db2.gz HYTMLMXROIMHBG-UHFFFAOYSA-N -1 3 411.527 3.691 20 0 HHADHM C[C@@H](O)CC(C)(C)C[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000544103901 1009714367 /nfs/dbraw/zinc/71/43/67/1009714367.db2.gz AWOWKSMMVVLNCD-SECBINFHSA-N -1 3 418.275 3.543 20 0 HHADHM Cc1nc(-c2ccc(CNC(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])cc2)cs1 ZINC000520750805 1009819748 /nfs/dbraw/zinc/81/97/48/1009819748.db2.gz DPEIIFPMQRWQMX-HXUWFJFHSA-N -1 3 421.522 3.745 20 0 HHADHM Cc1nc(-c2ccc(CNC(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])cc2)cs1 ZINC000520750804 1009820195 /nfs/dbraw/zinc/82/01/95/1009820195.db2.gz DPEIIFPMQRWQMX-FQEVSTJZSA-N -1 3 421.522 3.745 20 0 HHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)Nc3scnc3C3CC3)cs2)c1 ZINC000546917116 1009875271 /nfs/dbraw/zinc/87/52/71/1009875271.db2.gz RFRAJYLISYIOQH-UHFFFAOYSA-N -1 3 414.512 3.925 20 0 HHADHM CC(C)c1ccccc1NC(=O)[C@H](C)S(=O)(=O)c1nc(CCC2CCCC2)n[n-]1 ZINC000520840777 1009895242 /nfs/dbraw/zinc/89/52/42/1009895242.db2.gz URVNSNPSORDWAZ-HNNXBMFYSA-N -1 3 418.563 3.852 20 0 HHADHM CC(C)c1ccccc1NC(=O)[C@H](C)S(=O)(=O)c1nnc(CCC2CCCC2)[n-]1 ZINC000520840777 1009895261 /nfs/dbraw/zinc/89/52/61/1009895261.db2.gz URVNSNPSORDWAZ-HNNXBMFYSA-N -1 3 418.563 3.852 20 0 HHADHM O=C(NCCc1c[nH]c2ccc(Br)cc12)c1cc(=O)c2ccccc2[n-]1 ZINC000544306127 1009926992 /nfs/dbraw/zinc/92/69/92/1009926992.db2.gz VINYDIMJLOAUMM-UHFFFAOYSA-N -1 3 410.271 3.744 20 0 HHADHM CC(C)Oc1ccc([N-]S(=O)(=O)Cc2nc(Cc3c(F)cccc3F)no2)cc1 ZINC000547022039 1009979828 /nfs/dbraw/zinc/97/98/28/1009979828.db2.gz YRXGQJUTBPMSCM-UHFFFAOYSA-N -1 3 423.441 3.668 20 0 HHADHM COCc1cccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccc(Cl)cc3)n2)c1 ZINC000547046744 1010004015 /nfs/dbraw/zinc/00/40/15/1010004015.db2.gz WADRVUJTIDWUIC-LBPRGKRZSA-N -1 3 407.879 3.576 20 0 HHADHM CC(C)Oc1ccc([N-]S(=O)(=O)Cc2nc(COCc3ccccc3)no2)cc1 ZINC000547067613 1010021087 /nfs/dbraw/zinc/02/10/87/1010021087.db2.gz DSXFUQKNNGBWJN-UHFFFAOYSA-N -1 3 417.487 3.516 20 0 HHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3n[nH]c(C(C)C)c3Br)cc2)n1 ZINC000521000229 1010037617 /nfs/dbraw/zinc/03/76/17/1010037617.db2.gz OOGADLYTHDDVLZ-UHFFFAOYSA-N -1 3 416.279 3.607 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H](Cc3ccc(F)cc3)C2)c1 ZINC000544494039 1010118163 /nfs/dbraw/zinc/11/81/63/1010118163.db2.gz PMQOEVBPEPNHOR-MRXNPFEDSA-N -1 3 423.444 3.785 20 0 HHADHM Cc1ccc(-c2noc(-c3ccc([N-]S(C)(=O)=O)cc3)n2)cc1Br ZINC000547199854 1010143751 /nfs/dbraw/zinc/14/37/51/1010143751.db2.gz FVVLGHMADKZRFD-UHFFFAOYSA-N -1 3 408.277 3.846 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCCCCOCc2ccccc2)c1 ZINC000544522063 1010151348 /nfs/dbraw/zinc/15/13/48/1010151348.db2.gz HTDDWWCGWIFJPJ-UHFFFAOYSA-N -1 3 423.469 3.668 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C2CCCC2)C(F)(F)F)c1 ZINC000544556005 1010185269 /nfs/dbraw/zinc/18/52/69/1010185269.db2.gz WCGWVBLDBSDPQM-INIZCTEOSA-N -1 3 411.380 3.792 20 0 HHADHM COCCOc1ccccc1S(=O)(=O)[N-]c1cc(F)c(F)cc1Br ZINC000547243734 1010189593 /nfs/dbraw/zinc/18/95/93/1010189593.db2.gz QLRPNFYHYCCHHH-UHFFFAOYSA-N -1 3 422.247 3.553 20 0 HHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)N3CCCOCC3)ccc2C)c(C)c1 ZINC000521178114 1010211845 /nfs/dbraw/zinc/21/18/45/1010211845.db2.gz BESJNSVWFLDDDO-UHFFFAOYSA-N -1 3 416.543 3.584 20 0 HHADHM COCCOc1ccccc1S(=O)(=O)[N-][C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000547270619 1010216035 /nfs/dbraw/zinc/21/60/35/1010216035.db2.gz AYBZFUGBALLOQD-INIZCTEOSA-N -1 3 423.840 3.947 20 0 HHADHM CN(C)CCN(Cc1cccs1)C(=O)N=c1nc(-c2ccccc2Cl)[n-]s1 ZINC000544636191 1010260192 /nfs/dbraw/zinc/26/01/92/1010260192.db2.gz XFLNFIHYJFPQQV-UHFFFAOYSA-N -1 3 421.979 3.938 20 0 HHADHM O=S(=O)([N-]c1ccc(-n2nccc2C(F)(F)F)cc1)c1ccc2c(c1)COC2 ZINC000550965600 1010285486 /nfs/dbraw/zinc/28/54/86/1010285486.db2.gz BNYIQQDHVGXNQC-UHFFFAOYSA-N -1 3 409.389 3.722 20 0 HHADHM COC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)c2cccc(C(F)(F)F)c2)s1 ZINC000551018061 1010319280 /nfs/dbraw/zinc/31/92/80/1010319280.db2.gz QCCSDEKAPLHPDO-UHFFFAOYSA-N -1 3 407.435 3.767 20 0 HHADHM CC(=O)[C@@H]1C[C@H](CC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)C1(C)C ZINC000547535853 1010343092 /nfs/dbraw/zinc/34/30/92/1010343092.db2.gz APYVWLLYKDXNLN-WBVHZDCISA-N -1 3 420.937 3.864 20 0 HHADHM COc1cccc(Cc2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)c1 ZINC000551067987 1010345638 /nfs/dbraw/zinc/34/56/38/1010345638.db2.gz RZWXXNABZNBHOY-UHFFFAOYSA-N -1 3 412.247 3.884 20 0 HHADHM Brc1cccc(-c2nc(-c3noc(CC[C@@H]4CCCCO4)n3)n[n-]2)c1 ZINC000551071809 1010349525 /nfs/dbraw/zinc/34/95/25/1010349525.db2.gz VFGAHWGOOCUGFW-ZDUSSCGKSA-N -1 3 404.268 3.786 20 0 HHADHM COC(=O)[C@H](C)Cc1ccc(NC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000544797751 1010392995 /nfs/dbraw/zinc/39/29/95/1010392995.db2.gz TVOVMFCNJCSGIF-GFCCVEGCSA-N -1 3 421.291 3.828 20 0 HHADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000521478514 1010398438 /nfs/dbraw/zinc/39/84/38/1010398438.db2.gz KFVOVIUKKZTLDR-HXUWFJFHSA-N -1 3 408.326 3.795 20 0 HHADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(OC(C)C)c2)cc1C ZINC000544844755 1010430801 /nfs/dbraw/zinc/43/08/01/1010430801.db2.gz CPISFXGPLUMLPC-UHFFFAOYSA-N -1 3 409.504 3.617 20 0 HHADHM Cc1ccc([C@H](CC(=O)OC(C)C)[N-]S(=O)(=O)c2cc(F)c(F)cc2F)cc1 ZINC000521558128 1010461569 /nfs/dbraw/zinc/46/15/69/1010461569.db2.gz QZCOVAZQLKIYDI-KRWDZBQOSA-N -1 3 415.433 3.774 20 0 HHADHM O=C([N-]c1nnc(-c2ccc(Cl)cc2F)s1)c1cnc(OCC2CC2)cn1 ZINC000551282485 1010492555 /nfs/dbraw/zinc/49/25/55/1010492555.db2.gz HHYSSCJHBBWULX-UHFFFAOYSA-N -1 3 405.842 3.829 20 0 HHADHM Cc1ccccc1OCc1noc(CS(=O)(=O)[N-]c2ccc(OC(C)C)cc2)n1 ZINC000545017337 1010559563 /nfs/dbraw/zinc/55/95/63/1010559563.db2.gz LJUNFVDXNKLOTG-UHFFFAOYSA-N -1 3 417.487 3.686 20 0 HHADHM O=C(CCc1c2cc(F)ccc2[nH]c1-c1ccccc1)N1CCc2c(=O)[n-]cnc2C1 ZINC000548387231 1010610076 /nfs/dbraw/zinc/61/00/76/1010610076.db2.gz AVHZWZNNQRFRLK-UHFFFAOYSA-N -1 3 416.456 3.987 20 0 HHADHM Cc1ccc(C(=O)N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)c([O-])c1 ZINC000548395005 1010612737 /nfs/dbraw/zinc/61/27/37/1010612737.db2.gz IMANAZJYTREOMS-UHFFFAOYSA-N -1 3 407.392 3.709 20 0 HHADHM Cn1ccc([C@H]([N-]S(=O)(=O)c2cc(F)ccc2Cl)c2ccc(Cl)cc2)n1 ZINC000545123634 1010630455 /nfs/dbraw/zinc/63/04/55/1010630455.db2.gz JSBKDHSKFWRJLL-QGZVFWFLSA-N -1 3 414.289 3.934 20 0 HHADHM COc1cc(C(=O)N2Cc3cc(Br)ccc3C[C@@H]2C)cc(OC)c1[O-] ZINC000545137188 1010640917 /nfs/dbraw/zinc/64/09/17/1010640917.db2.gz ARYASFDDHIHXNA-NSHDSACASA-N -1 3 406.276 3.759 20 0 HHADHM COc1ccc(-c2nc3c(s2)[C@H](NC(=O)Cc2c(C)nc(C)[n-]c2=O)CCC3)cc1 ZINC000521860387 1010668349 /nfs/dbraw/zinc/66/83/49/1010668349.db2.gz MQQXMVDDOMUKAV-QGZVFWFLSA-N -1 3 424.526 3.667 20 0 HHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)[C@H]2CCc3cccc(O)c32)CC1 ZINC000551614774 1010698431 /nfs/dbraw/zinc/69/84/31/1010698431.db2.gz KYQKOKMOQRQCLS-INIZCTEOSA-N -1 3 414.889 3.658 20 0 HHADHM Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)c2cc([O-])ccc2Cl)c1C ZINC000551686781 1010741201 /nfs/dbraw/zinc/74/12/01/1010741201.db2.gz QLXBHVYMCOLASU-QGZVFWFLSA-N -1 3 416.905 3.922 20 0 HHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000521992861 1010753157 /nfs/dbraw/zinc/75/31/57/1010753157.db2.gz VJXIWFHLBLZDKW-UHFFFAOYSA-N -1 3 415.297 3.834 20 0 HHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000521992861 1010753161 /nfs/dbraw/zinc/75/31/61/1010753161.db2.gz VJXIWFHLBLZDKW-UHFFFAOYSA-N -1 3 415.297 3.834 20 0 HHADHM COC(=O)C1(CS(=O)(=O)[N-]c2cc3sc(C)nc3cc2Cl)CCCC1 ZINC000522045893 1010775831 /nfs/dbraw/zinc/77/58/31/1010775831.db2.gz LNOSJHFROADPBY-UHFFFAOYSA-N -1 3 402.925 3.733 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCC3)c2C)c(C)c1 ZINC000522148231 1010833674 /nfs/dbraw/zinc/83/36/74/1010833674.db2.gz KLOFSYJHRZYALG-UHFFFAOYSA-N -1 3 402.516 3.657 20 0 HHADHM C[C@@H]1CCC[C@H](OCC(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)C1 ZINC000522153280 1010836630 /nfs/dbraw/zinc/83/66/30/1010836630.db2.gz PMCLLJSZDPPGFH-YPMHNXCESA-N -1 3 408.442 3.611 20 0 HHADHM CN(Cc1ccc(C(C)(C)C)cc1)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000522215461 1010870439 /nfs/dbraw/zinc/87/04/39/1010870439.db2.gz LAUIHTLCPXXNDD-UHFFFAOYSA-N -1 3 414.980 3.636 20 0 HHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1c2c(nc3ccccc31)C(=Cc1ccco1)CC2 ZINC000522262749 1010893786 /nfs/dbraw/zinc/89/37/86/1010893786.db2.gz RTWWXCAOQYTTCX-AKMXKPQHSA-N -1 3 414.465 3.556 20 0 HHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H](Oc1cc(Cl)ccc1Cl)c1ccccc1 ZINC000522262206 1010894119 /nfs/dbraw/zinc/89/41/19/1010894119.db2.gz IOBDSULNUFUYNV-MAUKXSAKSA-N -1 3 420.296 3.742 20 0 HHADHM O=[S@](Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)c1)c1ccccc1 ZINC000522360087 1010956476 /nfs/dbraw/zinc/95/64/76/1010956476.db2.gz WPKQUHMUXQWJST-HHHXNRCGSA-N -1 3 413.520 3.730 20 0 HHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(C[S@@](=O)C3CCOCC3)c2)c(C)c1 ZINC000522360540 1010957091 /nfs/dbraw/zinc/95/70/91/1010957091.db2.gz DGSZBTZIUPACDO-HHHXNRCGSA-N -1 3 421.584 3.840 20 0 HHADHM O=S(=O)([N-][C@@H]1CCCN(c2ccccc2)C1)c1cc(Br)ccc1F ZINC000522371042 1010963602 /nfs/dbraw/zinc/96/36/02/1010963602.db2.gz YXOABOCYTGSADA-CQSZACIVSA-N -1 3 413.312 3.536 20 0 HHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](Cc2ccc(C)cc2)c2ccccn2)s1 ZINC000522374158 1010965417 /nfs/dbraw/zinc/96/54/17/1010965417.db2.gz KOGXEDBRMNACMA-KRWDZBQOSA-N -1 3 416.524 3.500 20 0 HHADHM Cc1nc(C)c(CCC(=O)Nc2cccc(C[S@](=O)Cc3ccccc3)c2)c(=O)[n-]1 ZINC000522517089 1011059887 /nfs/dbraw/zinc/05/98/87/1011059887.db2.gz 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O=C(Nc1ccc(Br)cc1[O-])c1ccccc1CSc1nc[nH]n1 ZINC000523123564 1011589689 /nfs/dbraw/zinc/58/96/89/1011589689.db2.gz PTXVGHPVGCUOKO-UHFFFAOYSA-N -1 3 405.277 3.817 20 0 HHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CCc2ccccc2[C@@H]1Cc1ccccc1 ZINC000536388673 1011597685 /nfs/dbraw/zinc/59/76/85/1011597685.db2.gz CGQHOVAUFQGWAA-QFIPXVFZSA-N -1 3 411.461 3.944 20 0 HHADHM CCOC(=O)c1cc(NC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3C(C)C)[n-]n1 ZINC000540974871 1011609913 /nfs/dbraw/zinc/60/99/13/1011609913.db2.gz PFPBLTKKBRGLHL-UHFFFAOYSA-N -1 3 409.368 3.788 20 0 HHADHM CCOC(=O)c1cc(NC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3C(C)C)n[n-]1 ZINC000540974871 1011609923 /nfs/dbraw/zinc/60/99/23/1011609923.db2.gz PFPBLTKKBRGLHL-UHFFFAOYSA-N -1 3 409.368 3.788 20 0 HHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H](C)C[C@H]3CCCO3)c2)cc1 ZINC000523263361 1011745311 /nfs/dbraw/zinc/74/53/11/1011745311.db2.gz PPPWNOYGUSYFQM-PKOBYXMFSA-N -1 3 416.543 3.792 20 0 HHADHM Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)Nc1ccc(-c2nnn[n-]2)cc1 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O=S(=O)([N-][C@@H]1CCO[C@H]1c1ccc(Cl)cc1)c1ccc(Br)s1 ZINC000552888133 1012891955 /nfs/dbraw/zinc/89/19/55/1012891955.db2.gz OMZSRKHJAZOFSE-RISCZKNCSA-N -1 3 422.753 3.973 20 0 HHADHM COC(=O)CCCc1nnc([N-]C(=O)c2cc3cc(Br)ccc3o2)s1 ZINC000524147011 1012933424 /nfs/dbraw/zinc/93/34/24/1012933424.db2.gz MGBKMCPVIIWAGS-UHFFFAOYSA-N -1 3 424.276 3.795 20 0 HHADHM Cn1ccnc1-c1noc([N-]Cc2csc(-c3cccc(Br)c3)n2)n1 ZINC000537507236 1013019796 /nfs/dbraw/zinc/01/97/96/1013019796.db2.gz QBANGVWDRGHTPV-UHFFFAOYSA-N -1 3 417.292 3.968 20 0 HHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(-c3nc(N(C)C)no3)ccc2C)c(C)c1 ZINC000904660704 1071842927 /nfs/dbraw/zinc/84/29/27/1071842927.db2.gz FHIVXMPMVAYZGD-UHFFFAOYSA-N -1 3 400.504 3.837 20 0 HHADHM O=S(=O)([N-]C[C@H]1CCN(c2ccccc2F)C1)c1csnc1-c1ccccc1 ZINC001212001326 1071875315 /nfs/dbraw/zinc/87/53/15/1071875315.db2.gz LHLOHAWLVAVBIS-OAHLLOKOSA-N -1 3 417.531 3.754 20 0 HHADHM COC1(C[N-]S(=O)(=O)c2ccc(Br)cc2C(F)(F)F)CCCC1 ZINC001212015089 1071904355 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415.808 3.974 20 0 HHADHM CN(C(=O)c1[nH]c(=O)[n-]c(=O)c1N)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000488237334 1072152978 /nfs/dbraw/zinc/15/29/78/1072152978.db2.gz ZILMZHMWMXQCRM-UHFFFAOYSA-N -1 3 419.268 3.638 20 0 HHADHM CCCN(Cc1ccc(C)cc1)C(=O)C[C@@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000760337024 1072254734 /nfs/dbraw/zinc/25/47/34/1072254734.db2.gz UTOCXSBNLRYSKB-MRXNPFEDSA-N -1 3 423.966 3.539 20 0 HHADHM Cc1cc(Cl)ccc1NC(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000729833866 1072405304 /nfs/dbraw/zinc/40/53/04/1072405304.db2.gz MULYEIUPEMCMCP-UHFFFAOYSA-N -1 3 400.834 3.620 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H]1C[C@@H](C)C[C@H](c2ccccc2)C1 ZINC001212145061 1072521229 /nfs/dbraw/zinc/52/12/29/1072521229.db2.gz HNTAAAOSNLDREO-BHYGNILZSA-N -1 3 405.491 3.863 20 0 HHADHM COCCC[C@@H](CNC(=O)CCc1c(C)nc(C)[n-]c1=O)c1ccc(Cl)cc1 ZINC000571232332 1072587810 /nfs/dbraw/zinc/58/78/10/1072587810.db2.gz ZCYRBIRRZVZNRX-KRWDZBQOSA-N -1 3 405.926 3.712 20 0 HHADHM Cc1cc2[nH]ncc2cc1[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000479134227 1072744043 /nfs/dbraw/zinc/74/40/43/1072744043.db2.gz YDXXJFAZKUWOGE-ZDUSSCGKSA-N -1 3 421.906 3.741 20 0 HHADHM COc1ccc([O-])c(C(=O)Nc2ccc(Oc3ccc(S(C)(=O)=O)cc3)cc2)c1 ZINC000588071696 1072777475 /nfs/dbraw/zinc/77/74/75/1072777475.db2.gz PVNIBIPJDRBDSH-UHFFFAOYSA-N -1 3 413.451 3.849 20 0 HHADHM COc1cccc(Cn2ccc3ccc([N-]S(=O)(=O)C[C@@H]4CCCO4)cc32)c1 ZINC000479381986 1072790840 /nfs/dbraw/zinc/79/08/40/1072790840.db2.gz WLGCUFHSHVUUOG-FQEVSTJZSA-N -1 3 400.500 3.619 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NCC2(c3ccccc3C)CC2)cc1OC ZINC000588182943 1072888055 /nfs/dbraw/zinc/88/80/55/1072888055.db2.gz MBJCLXNHOVUDAA-UHFFFAOYSA-N -1 3 417.531 3.619 20 0 HHADHM CCc1ccc(CC)c(NC(=O)C[C@@H](C)[N-]S(=O)(=O)c2cccnc2Cl)c1 ZINC000760687581 1072950654 /nfs/dbraw/zinc/95/06/54/1072950654.db2.gz FXYQJYIAKMNVPW-CYBMUJFWSA-N -1 3 409.939 3.555 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3cc(F)c[nH]3)ccc2C)cc1 ZINC000554971274 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3 422.522 3.880 20 0 HHADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)N1CCO[C@@H]2[C@H](OCC3CCCC3)CC[C@H]21 ZINC001164661635 719343492 /nfs/dbraw/zinc/34/34/92/719343492.db2.gz MADOWZIAJFPOAM-IOASZLSFSA-N -1 3 419.925 3.907 20 0 HHADHM CC1CCN([C@@H](CNC(=O)N[C@@H](C(=O)[O-])C2CCCCC2)c2cccs2)CC1 ZINC000780344981 939107202 /nfs/dbraw/zinc/10/72/02/939107202.db2.gz AUFDXKWCWICXOZ-PKOBYXMFSA-N -1 3 407.580 3.854 20 0 HHADHM Cc1cccc(OCCCCC(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c1 ZINC001123371853 939821594 /nfs/dbraw/zinc/82/15/94/939821594.db2.gz CVVSIOVDFFKLLU-VWLOTQADSA-N -1 3 424.541 3.780 20 0 HHADHM O=C([O-])[C@@]1(NC(=O)CCc2ccc(Cl)s2)CCCN(Cc2ccccc2)C1 ZINC001263627264 939828201 /nfs/dbraw/zinc/82/82/01/939828201.db2.gz GATHIXROJZCOLX-HXUWFJFHSA-N -1 3 406.935 3.570 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3CC(=O)N(C)[C@@H]3c3ccc(Cl)cc3)nc2)n1 ZINC000301913708 971113775 /nfs/dbraw/zinc/11/37/75/971113775.db2.gz FDSPKFDXGIZQDG-LAUBAEHRSA-N -1 3 423.904 3.844 20 0 HHADHM 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Cc1sc(CNC(=O)NCc2cnc(C)[n-]c2=O)nc1-c1ccc(Cl)cc1 ZINC000542274943 1013234815 /nfs/dbraw/zinc/23/48/15/1013234815.db2.gz QTCGAQBSYOWCTH-UHFFFAOYSA-N -1 3 403.895 3.575 20 0 HHADHM COc1cc(OC)c(C(=O)O[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)cc1OC ZINC000007647001 961270520 /nfs/dbraw/zinc/27/05/20/961270520.db2.gz NWGMLMCIGFYYDS-JTQLQIEISA-N -1 3 418.471 3.545 20 0 HHADHM C[C@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)c1ccc2n[nH]cc2c1 ZINC000553304799 1013259920 /nfs/dbraw/zinc/25/99/20/1013259920.db2.gz QVIGOZIJVBFQLR-JTQLQIEISA-N -1 3 411.259 3.658 20 0 HHADHM CC[C@@H](NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1nccn1C ZINC000553314678 1013267404 /nfs/dbraw/zinc/26/74/04/1013267404.db2.gz TYEJAUNDQXJETD-LJQANCHMSA-N -1 3 402.495 3.601 20 0 HHADHM COC(=O)c1sc2[n-]c(CN3CC[C@H](c4cc(C)cc(C)c4)C3)nc(=O)c2c1C ZINC000542318327 1013274466 /nfs/dbraw/zinc/27/44/66/1013274466.db2.gz QVFMTJCGHQYDFD-HNNXBMFYSA-N -1 3 411.527 3.686 20 0 HHADHM COc1nnc(NC(=O)c2c(C)c(C3CC3)nc3ccc(Br)cc32)[n-]1 ZINC000537733537 1013294240 /nfs/dbraw/zinc/29/42/40/1013294240.db2.gz LCUKXIVTFHATJQ-UHFFFAOYSA-N -1 3 402.252 3.562 20 0 HHADHM COc1nc(NC(=O)c2c(C)c(C3CC3)nc3ccc(Br)cc32)n[n-]1 ZINC000537733537 1013294247 /nfs/dbraw/zinc/29/42/47/1013294247.db2.gz LCUKXIVTFHATJQ-UHFFFAOYSA-N -1 3 402.252 3.562 20 0 HHADHM COc1n[n-]c(NC(=O)c2c(C)c(C3CC3)nc3ccc(Br)cc32)n1 ZINC000537733537 1013294252 /nfs/dbraw/zinc/29/42/52/1013294252.db2.gz LCUKXIVTFHATJQ-UHFFFAOYSA-N -1 3 402.252 3.562 20 0 HHADHM O=S(=O)([N-]Cc1ccccc1OC(F)(F)F)c1ccc(Br)s1 ZINC000010757467 961904756 /nfs/dbraw/zinc/90/47/56/961904756.db2.gz UQKBMPCWJFKIJI-UHFFFAOYSA-N -1 3 416.240 3.888 20 0 HHADHM O=S(=O)(Cc1ccc(Cl)c(Cl)c1)[N-]Cc1noc(-c2cccs2)n1 ZINC000553361476 1013301343 /nfs/dbraw/zinc/30/13/43/1013301343.db2.gz FMSYNDRQBIKANU-UHFFFAOYSA-N -1 3 404.300 3.725 20 0 HHADHM O=C(NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000553365267 1013304596 /nfs/dbraw/zinc/30/45/96/1013304596.db2.gz YCVTYCQDRKYJMF-UHFFFAOYSA-N -1 3 421.419 3.557 20 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20 0 HHADHM CCN(CC(=O)Nc1c(F)cccc1F)Cc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000016559905 963063546 /nfs/dbraw/zinc/06/35/46/963063546.db2.gz HABCPQYKSIIJNP-UHFFFAOYSA-N -1 3 402.397 3.546 20 0 HHADHM CC(C)(C)OC(=O)C1([N-]S(=O)(=O)Cc2cccc(Br)c2)CCCC1 ZINC000553491134 1013394864 /nfs/dbraw/zinc/39/48/64/1013394864.db2.gz BLBSEIWOCQBTLO-UHFFFAOYSA-N -1 3 418.353 3.523 20 0 HHADHM O=C1[N-]C(=O)C(=CNc2ccnn2Cc2cccc(Cl)c2Cl)c2ccccc21 ZINC000016721942 963092572 /nfs/dbraw/zinc/09/25/72/963092572.db2.gz RBQISGBBIYVTJK-XNTDXEJSSA-N -1 3 413.264 3.961 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCC(C)C)ccc2C)cc1 ZINC000017172609 963166622 /nfs/dbraw/zinc/16/66/22/963166622.db2.gz NUEUNOOSMFHZLT-UHFFFAOYSA-N -1 3 404.532 3.970 20 0 HHADHM Cn1ccnc1[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccc(Cl)cc1 ZINC000017521431 963206294 /nfs/dbraw/zinc/20/62/94/963206294.db2.gz AELSHVVKFBFNFL-MRXNPFEDSA-N -1 3 415.824 3.559 20 0 HHADHM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Br)CO2 ZINC000542467638 1013415639 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3.644 20 0 HHADHM C[C@]1(CCc2ccccc2)NC(=O)N([N-]C(=O)c2cc(Cl)cc(Cl)c2)C1=O ZINC000023946718 963906414 /nfs/dbraw/zinc/90/64/14/963906414.db2.gz MDOOWJDDXRMVIM-LJQANCHMSA-N -1 3 406.269 3.582 20 0 HHADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]Cc1ccc(C)cc1 ZINC000024248721 963967703 /nfs/dbraw/zinc/96/77/03/963967703.db2.gz MCPDEMNNSNCXSP-UHFFFAOYSA-N -1 3 404.713 3.898 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cc(-c3nnc4n3CCCCC4)ccc2C)cc1 ZINC000024433793 963998623 /nfs/dbraw/zinc/99/86/23/963998623.db2.gz KINHPUCNRJTBTR-UHFFFAOYSA-N -1 3 412.515 3.789 20 0 HHADHM CCCc1cc(C(=O)N[N-]C(=O)c2cc(OC)ccc2Br)sc1C ZINC000024456277 964002871 /nfs/dbraw/zinc/00/28/71/964002871.db2.gz DZKXLPJNQZVXGW-UHFFFAOYSA-N -1 3 411.321 3.855 20 0 HHADHM O=S(=O)([N-]C(C1CC1)C1CC1)c1cc(Br)ccc1Br ZINC000024474939 964006244 /nfs/dbraw/zinc/00/62/44/964006244.db2.gz JMSJYZPPCBXMJT-UHFFFAOYSA-N -1 3 409.143 3.679 20 0 HHADHM O=C(Nc1ccc(-c2nccs2)cc1)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000024739779 964061515 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HHADHM CC(C)CCC[C@H](C)NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000025344397 964248346 /nfs/dbraw/zinc/24/83/46/964248346.db2.gz ORVKOMWTJRIKPY-ZDUSSCGKSA-N -1 3 409.379 3.993 20 0 HHADHM COc1ccc(C(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)c([O-])c1 ZINC000025548429 964303703 /nfs/dbraw/zinc/30/37/03/964303703.db2.gz FCJNYSSTFWGJIP-UHFFFAOYSA-N -1 3 401.260 3.843 20 0 HHADHM COc1cccc(NC(=S)N[N-]C(=O)c2ccc(Br)cc2Cl)c1 ZINC000050856308 964411317 /nfs/dbraw/zinc/41/13/17/964411317.db2.gz WZHZQWHVKSJBLX-UHFFFAOYSA-N -1 3 414.712 3.743 20 0 HHADHM COC(=O)c1sc2[n-]c(CN3CCCc4cc(Cl)ccc43)nc(=O)c2c1C ZINC000026340169 964530471 /nfs/dbraw/zinc/53/04/71/964530471.db2.gz TYDDCFSUZRBLGQ-UHFFFAOYSA-N -1 3 403.891 3.686 20 0 HHADHM CC[C@@H](C)C[C@H](C)NC(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000537927487 1013511853 /nfs/dbraw/zinc/51/18/53/1013511853.db2.gz IRBCDLKBISNODN-MNOVXSKESA-N -1 3 412.271 3.687 20 0 HHADHM CCCc1cc(NC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)n(C)n1 ZINC000537935383 1013521426 /nfs/dbraw/zinc/52/14/26/1013521426.db2.gz MHRGYJPFQYDLQC-UHFFFAOYSA-N -1 3 419.913 3.614 20 0 HHADHM CCc1c(C(=O)O[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)[nH]c(C)c1C(C)=O ZINC000052030443 964787676 /nfs/dbraw/zinc/78/76/76/964787676.db2.gz AYJWWSGIZKSUAQ-NSHDSACASA-N -1 3 401.488 3.921 20 0 HHADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000052620511 964938914 /nfs/dbraw/zinc/93/89/14/964938914.db2.gz FUEAHXMBWGDPOV-QFBILLFUSA-N -1 3 419.481 3.544 20 0 HHADHM O=C([N-]NC(=O)c1ccc2ccccc2n1)c1cc(Br)ccc1Cl ZINC000027683278 964943789 /nfs/dbraw/zinc/94/37/89/964943789.db2.gz LQGMJVHNMZKWEW-UHFFFAOYSA-N -1 3 404.651 3.726 20 0 HHADHM Cc1cc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)c(C)n1-c1ccc(F)cc1 ZINC000028020828 965022772 /nfs/dbraw/zinc/02/27/72/965022772.db2.gz LCJUCPLLQIIRRH-UHFFFAOYSA-N -1 3 401.463 3.857 20 0 HHADHM COC(=O)c1sc2[n-]c(CSc3nc4ccccc4nc3C)nc(=O)c2c1C ZINC000028190996 965054390 /nfs/dbraw/zinc/05/43/90/965054390.db2.gz UUILGVUDHSUJJK-UHFFFAOYSA-N -1 3 412.496 3.624 20 0 HHADHM O=C(NCc1ccnc(Oc2ccccc2)c1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000053279122 965115537 /nfs/dbraw/zinc/11/55/37/965115537.db2.gz PAVCXSIPCDAOTP-HXUWFJFHSA-N -1 3 417.465 3.501 20 0 HHADHM COCc1cccc(CNC(=O)CSc2nnc([N-]c3ccccc3F)s2)c1 ZINC000053368697 965146055 /nfs/dbraw/zinc/14/60/55/965146055.db2.gz UIQDVZHMAAECCU-UHFFFAOYSA-N -1 3 418.519 3.976 20 0 HHADHM O=C(CSc1nnc([N-]c2ccccc2F)s1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000053368663 965146094 /nfs/dbraw/zinc/14/60/94/965146094.db2.gz LBHLSCDLPKALCJ-LSDHHAIUSA-N -1 3 408.524 3.683 20 0 HHADHM Cc1ccc(NC(=O)CC[C@@H]2CCCO2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000028965353 965226946 /nfs/dbraw/zinc/22/69/46/965226946.db2.gz PPANPUHMZSDKKB-INIZCTEOSA-N -1 3 406.479 3.833 20 0 HHADHM COc1ccc(-n2ccc(C[N-]S(=O)(=O)c3c(Cl)cccc3Cl)n2)cc1 ZINC000057015082 965251268 /nfs/dbraw/zinc/25/12/68/965251268.db2.gz UQALFZFWEATALQ-UHFFFAOYSA-N -1 3 412.298 3.666 20 0 HHADHM O=C(Nc1ccc(SC(F)F)cc1)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000029082479 965258616 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COC(=O)Cc1sc(NC(=O)c2c[n-]c3ccccc3c2=O)nc1-c1ccccc1 ZINC000054315014 965473386 /nfs/dbraw/zinc/47/33/86/965473386.db2.gz CPJHDXGSCGCRBD-UHFFFAOYSA-N -1 3 419.462 3.619 20 0 HHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc3ncccc32)ccc1F ZINC000029756672 965486108 /nfs/dbraw/zinc/48/61/08/965486108.db2.gz ZDJUKYPZZLOVBN-UHFFFAOYSA-N -1 3 401.463 3.703 20 0 HHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2Cc2ccccc2)ccc1F ZINC000029783877 965498657 /nfs/dbraw/zinc/49/86/57/965498657.db2.gz FRZZYHLNEPMTOX-GOSISDBHSA-N -1 3 418.534 3.750 20 0 HHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2Cc2ccccc2)ccc1F ZINC000029783878 965498997 /nfs/dbraw/zinc/49/89/97/965498997.db2.gz FRZZYHLNEPMTOX-SFHVURJKSA-N -1 3 418.534 3.750 20 0 HHADHM COc1cc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(F)cc2)cc(Cl)c1[O-] ZINC000057906311 965581323 /nfs/dbraw/zinc/58/13/23/965581323.db2.gz WSIHSCCRZTZMQL-MRXNPFEDSA-N -1 3 421.881 3.625 20 0 HHADHM CCCOc1cccc(NC(=O)CS(=O)(=O)[N-]c2ccc(OC(C)C)cc2)c1 ZINC000058122804 965631944 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HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)Nc1ccc(-c2nccs2)cc1 ZINC000109758650 969559639 /nfs/dbraw/zinc/55/96/39/969559639.db2.gz SIOKTTBFNCURBX-UHFFFAOYSA-N -1 3 417.494 3.835 20 0 HHADHM CCOCCC(=O)Nc1ccc(OC)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000110874111 969732147 /nfs/dbraw/zinc/73/21/47/969732147.db2.gz TZLITVLDOGAGIU-UHFFFAOYSA-N -1 3 412.895 3.515 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(NCCNc3ncc(Cl)cc3Cl)nc2)n1 ZINC000111221078 969808431 /nfs/dbraw/zinc/80/84/31/969808431.db2.gz BHSASGNZOUPFSU-UHFFFAOYSA-N -1 3 405.289 3.620 20 0 HHADHM CN(Cc1nc2c3ccccc3oc2c(=O)[n-]1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000112585486 969816824 /nfs/dbraw/zinc/81/68/24/969816824.db2.gz RBTICZZIYNIFAV-MRXNPFEDSA-N -1 3 422.872 3.560 20 0 HHADHM CCCc1ccc([C@@H](C)N(CC(N)=O)Cc2cc(=O)oc3c(C)c([O-])ccc23)cc1 ZINC000115842413 969856488 /nfs/dbraw/zinc/85/64/88/969856488.db2.gz MFFMDFDIUHEDIY-MRXNPFEDSA-N -1 3 408.498 3.808 20 0 HHADHM C[C@@H]1CCc2[nH]c3ccc(C(=O)N4CCN(C(=O)c5ccccc5[O-])CC4)cc3c2C1 ZINC000195672398 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417.512 3.651 20 0 HHADHM CC(=O)Nc1ccc(F)c(C(=O)O[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)c1 ZINC000164480453 970448850 /nfs/dbraw/zinc/44/88/50/970448850.db2.gz UUISGCFKYWJRRY-VIFPVBQESA-N -1 3 403.435 3.617 20 0 HHADHM CC(C)Oc1ccc([C@@H](CNC(=O)c2ccc(Br)c([O-])c2)N(C)C)cc1 ZINC000554652291 1014001552 /nfs/dbraw/zinc/00/15/52/1014001552.db2.gz CXGCAGFEBGTMBI-GOSISDBHSA-N -1 3 421.335 3.975 20 0 HHADHM COCCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)OC(C)C)c2)c(C)c1 ZINC000554684366 1014012077 /nfs/dbraw/zinc/01/20/77/1014012077.db2.gz XOAVXESCRXGCAZ-UHFFFAOYSA-N -1 3 421.515 3.695 20 0 HHADHM COc1ccccc1-c1noc([C@@H](C)[N-]S(=O)(=O)Cc2cccc(Cl)c2)n1 ZINC000554701278 1014019497 /nfs/dbraw/zinc/01/94/97/1014019497.db2.gz OYSBBAMNCAQVTJ-GFCCVEGCSA-N -1 3 407.879 3.579 20 0 HHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000261421468 970668788 /nfs/dbraw/zinc/66/87/88/970668788.db2.gz FYYPHKNKSRGPOA-UHFFFAOYSA-N -1 3 401.199 3.502 20 0 HHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000261421468 970668796 /nfs/dbraw/zinc/66/87/96/970668796.db2.gz FYYPHKNKSRGPOA-UHFFFAOYSA-N -1 3 401.199 3.502 20 0 HHADHM O=C(c1ccccc1[O-])N1CCN(c2nc3ccccc3c(-c3ccccc3)n2)CC1 ZINC000301074115 970735407 /nfs/dbraw/zinc/73/54/07/970735407.db2.gz IAQTXNZZTJEEGM-UHFFFAOYSA-N -1 3 410.477 3.965 20 0 HHADHM Cc1cnc(Br)c([N-]S(=O)(=O)c2cccc(Br)c2)c1 ZINC000311701631 972627300 /nfs/dbraw/zinc/62/73/00/972627300.db2.gz MCNDJSXQOKGXIC-UHFFFAOYSA-N -1 3 406.099 3.716 20 0 HHADHM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Br)cc1F ZINC000321800499 972694960 /nfs/dbraw/zinc/69/49/60/972694960.db2.gz YDXIHJYSFHSJOF-UHFFFAOYSA-N -1 3 407.192 3.745 20 0 HHADHM O=S(=O)([N-]c1ccccc1CN1CCCC1)c1ccc(F)cc1Br ZINC000324812746 972725998 /nfs/dbraw/zinc/72/59/98/972725998.db2.gz VGDCASVVIRPKEU-UHFFFAOYSA-N -1 3 413.312 3.985 20 0 HHADHM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1CC(=O)Nc1ccc(Br)cc1Cl ZINC000325707358 972734268 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Brc1cccc(-c2nc(-c3noc(C4(C5CC5)CCOCC4)n3)n[n-]2)c1 ZINC000554838018 1014069562 /nfs/dbraw/zinc/06/95/62/1014069562.db2.gz WVYQNJOQRDFVRZ-UHFFFAOYSA-N -1 3 416.279 3.742 20 0 HHADHM Cc1ccc(NC(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)c(F)c1 ZINC000409652436 973102887 /nfs/dbraw/zinc/10/28/87/973102887.db2.gz OUCPCQWMTGCLLW-UHFFFAOYSA-N -1 3 409.446 3.699 20 0 HHADHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N1CCC(F)(c2ccccc2C(F)(F)F)CC1 ZINC000410099089 973574087 /nfs/dbraw/zinc/57/40/87/973574087.db2.gz YRDSXPOOFXHAOH-UHFFFAOYSA-N -1 3 420.362 3.690 20 0 HHADHM CC(=O)Nc1cccc([C@@H](C)NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)c1 ZINC000410287195 973814221 /nfs/dbraw/zinc/81/42/21/973814221.db2.gz XHWMDYIPTZWCDG-CYBMUJFWSA-N -1 3 405.458 3.999 20 0 HHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(Br)c(C(F)(F)F)c1 ZINC000426434666 974446752 /nfs/dbraw/zinc/44/67/52/974446752.db2.gz ZUFLHKBWLRHNLT-UHFFFAOYSA-N -1 3 412.169 3.900 20 0 HHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(Br)c(C(F)(F)F)c1 ZINC000426434666 974446756 /nfs/dbraw/zinc/44/67/56/974446756.db2.gz ZUFLHKBWLRHNLT-UHFFFAOYSA-N -1 3 412.169 3.900 20 0 HHADHM COc1cc(Br)c(CNC[C@@H](Cc2ccccc2C)C(=O)[O-])c(OC)c1 ZINC000426661127 974588474 /nfs/dbraw/zinc/58/84/74/974588474.db2.gz CTIYZSKBKPWEFQ-OAHLLOKOSA-N -1 3 422.319 3.808 20 0 HHADHM O=C([O-])C[C@H](NCc1cc(Br)c2c(c1)OCCCO2)c1ccsc1 ZINC000426683437 974597745 /nfs/dbraw/zinc/59/77/45/974597745.db2.gz SAOJCCGXBOTOTH-AWEZNQCLSA-N -1 3 412.305 3.978 20 0 HHADHM Cc1nc(CCCC(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)cs1 ZINC000426709103 974609248 /nfs/dbraw/zinc/60/92/48/974609248.db2.gz ARCAVIXZBOALPE-UHFFFAOYSA-N -1 3 421.466 3.803 20 0 HHADHM O=C([O-])[C@@H](Cn1ccc(C(F)(F)F)n1)NCc1ccc(-c2ccccc2)cc1F ZINC000426725884 974617737 /nfs/dbraw/zinc/61/77/37/974617737.db2.gz FVISILDBSAINRU-QGZVFWFLSA-N -1 3 407.367 3.951 20 0 HHADHM O=C([O-])[C@H](CN1CCCc2ccccc21)NCc1ccc(F)cc1Br ZINC000426732364 974621975 /nfs/dbraw/zinc/62/19/75/974621975.db2.gz IFYCKIOAEGXFSN-KRWDZBQOSA-N -1 3 407.283 3.584 20 0 HHADHM COc1cc(CN[C@H](C(=O)[O-])c2cccc(Cl)c2)cc(Br)c1O ZINC000426739682 974626580 /nfs/dbraw/zinc/62/65/80/974626580.db2.gz DORHOCDKIPNFQY-AWEZNQCLSA-N -1 3 400.656 3.732 20 0 HHADHM O=C([O-])[C@@H](Cc1cn(-c2ccccc2)nn1)NCc1cc(C(F)(F)F)ccc1Cl ZINC000426746158 974631445 /nfs/dbraw/zinc/63/14/45/974631445.db2.gz IYGSNHZTAZPLCM-QGZVFWFLSA-N -1 3 424.810 3.725 20 0 HHADHM COc1ccc(CN[C@@H](Cc2c(F)cccc2Cl)C(=O)[O-])c(Cl)c1OC ZINC000426758110 974638980 /nfs/dbraw/zinc/63/89/80/974638980.db2.gz RCROPWAGJHFEES-AWEZNQCLSA-N -1 3 402.249 3.935 20 0 HHADHM O=C([O-])[C@@H](Cn1ccc(C(F)(F)F)n1)NCc1cc(C(F)(F)F)ccc1Cl ZINC000426761367 974640541 /nfs/dbraw/zinc/64/05/41/974640541.db2.gz ZZVUPMYHFWTXJO-LLVKDONJSA-N -1 3 415.721 3.817 20 0 HHADHM Cc1nc(COc2ccc(CN[C@H](CC(=O)[O-])c3ccc(Cl)cc3)cc2)no1 ZINC000426789710 974662014 /nfs/dbraw/zinc/66/20/14/974662014.db2.gz XBWRPVVYFWTGOG-GOSISDBHSA-N -1 3 401.850 3.916 20 0 HHADHM O=C([O-])[C@@H](Cc1ccc(OC(F)F)cc1)NCc1cc(F)ccc1Br ZINC000426791268 974662592 /nfs/dbraw/zinc/66/25/92/974662592.db2.gz DEAAXDQCHOUYNC-OAHLLOKOSA-N -1 3 418.209 3.975 20 0 HHADHM CCOc1c(Br)cc(CN[C@@H](C(=O)[O-])c2cccs2)cc1OC ZINC000426805452 974674257 /nfs/dbraw/zinc/67/42/57/974674257.db2.gz BNRCXZPCZRMKQE-CQSZACIVSA-N -1 3 400.294 3.833 20 0 HHADHM CCC[C@H](C)C[C@H](NCc1ncc(Br)cc1Br)C(=O)[O-] ZINC000426819572 974684891 /nfs/dbraw/zinc/68/48/91/974684891.db2.gz IKMFNVNUDVVLCF-CABZTGNLSA-N -1 3 408.134 3.976 20 0 HHADHM COc1ccc([C@@H](NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C(=O)[O-])cc1F ZINC000426820215 974685928 /nfs/dbraw/zinc/68/59/28/974685928.db2.gz KIGILYNJIZQOFJ-GOSISDBHSA-N -1 3 423.366 3.954 20 0 HHADHM CSc1cc2c(cc1CN[C@H](C(=O)[O-])c1ccc(Br)cc1)OCCO2 ZINC000426824690 974690050 /nfs/dbraw/zinc/69/00/50/974690050.db2.gz JCUGZHWVJMTDMQ-KRWDZBQOSA-N -1 3 424.316 3.858 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)Nc1ccnn1[C@@H](C)CC(C)C ZINC000426878889 974727257 /nfs/dbraw/zinc/72/72/57/974727257.db2.gz MMXVGQXGIGDXID-HNNXBMFYSA-N -1 3 408.506 3.515 20 0 HHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NC[C@H](Cc1ccccc1)C(F)(F)F ZINC000427091049 974894957 /nfs/dbraw/zinc/89/49/57/974894957.db2.gz BEXWPBZPPRRBGY-AWEZNQCLSA-N -1 3 418.419 3.702 20 0 HHADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000427612959 975211154 /nfs/dbraw/zinc/21/11/54/975211154.db2.gz AUDUMHPGKZLGEG-OAHLLOKOSA-N -1 3 423.694 3.938 20 0 HHADHM O=S(=O)([N-]c1ccnc(N2CCc3ccccc3C2)c1)c1cccc2ncccc21 ZINC000427628278 975215658 /nfs/dbraw/zinc/21/56/58/975215658.db2.gz GVZLSWAMLNQSOC-UHFFFAOYSA-N -1 3 416.506 3.993 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2ccnc(N3CCc4ccccc4C3)c2)c(C)c1 ZINC000427639949 975220788 /nfs/dbraw/zinc/22/07/88/975220788.db2.gz SSKQWEWLAKUZIZ-UHFFFAOYSA-N -1 3 409.511 3.762 20 0 HHADHM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1CC[C@@H](C(=O)Nc2ccc(O)c(Cl)c2)O1 ZINC000427649329 975224001 /nfs/dbraw/zinc/22/40/01/975224001.db2.gz XBJLWGIXYKNVOP-HOTGVXAUSA-N -1 3 411.241 3.529 20 0 HHADHM Cc1nnc(N(C)C(=O)c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)ccc2C)s1 ZINC000427717638 975250480 /nfs/dbraw/zinc/25/04/80/975250480.db2.gz IGDLJHPEEMXGKT-UHFFFAOYSA-N -1 3 416.528 3.541 20 0 HHADHM O=S(=O)([N-][C@@H]1CCO[C@@]2(CCSC2)C1)c1ccc(Cl)cc1C(F)(F)F ZINC000427774470 975281558 /nfs/dbraw/zinc/28/15/58/975281558.db2.gz ABWWCSKDEQBIEG-RISCZKNCSA-N -1 3 415.886 3.692 20 0 HHADHM CC(C)[C@H]([N-]S(=O)(=O)C[C@@H](C)c1ccccc1)c1nc(-c2cccnc2)no1 ZINC000427846594 975319085 /nfs/dbraw/zinc/31/90/85/975319085.db2.gz AHSBGHYEYWNGEK-QAPCUYQASA-N -1 3 400.504 3.552 20 0 HHADHM Cc1cc(Br)cc(Cl)c1C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000428003176 975382327 /nfs/dbraw/zinc/38/23/27/975382327.db2.gz AVNJQUCYQQLXFM-UHFFFAOYSA-N -1 3 424.682 3.559 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)[C@@H]3CC3(C)C)c2)cc1 ZINC000428203438 975527957 /nfs/dbraw/zinc/52/79/57/975527957.db2.gz XNFOEZPGIQYXKJ-LJQANCHMSA-N -1 3 402.516 3.675 20 0 HHADHM COC(=O)c1cc(C)nc2nc(S[C@@H](C)c3nnc(-c4ccccc4)o3)[n-]c(=O)c21 ZINC000428268121 975582479 /nfs/dbraw/zinc/58/24/79/975582479.db2.gz PRCAAFPXFXPJTD-NSHDSACASA-N -1 3 423.454 3.729 20 0 HHADHM C[C@H]([N-]S(=O)(=O)c1cnc2ccccc2c1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000428311479 975618480 /nfs/dbraw/zinc/61/84/80/975618480.db2.gz BXIQSXRJKHZEFY-LBPRGKRZSA-N -1 3 414.874 3.978 20 0 HHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)c1Cl ZINC000428394544 975715314 /nfs/dbraw/zinc/71/53/14/975715314.db2.gz BMAMTVPLAVCOQG-RDTXWAMCSA-N -1 3 418.317 3.885 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC3CC(F)(F)C3)ccc2C)cc1 ZINC000428432490 975746296 /nfs/dbraw/zinc/74/62/96/975746296.db2.gz ZCFJQNPKUBIEPY-UHFFFAOYSA-N -1 3 424.469 3.722 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CC[C@@H]4CCC[C@H]43)ccc2C)cc1 ZINC000428544966 975849823 /nfs/dbraw/zinc/84/98/23/975849823.db2.gz YZSRUNVJXHLHSW-OXJNMPFZSA-N -1 3 414.527 3.819 20 0 HHADHM CCOC(=O)C(=C([O-])Cn1c2ccccc2nc1C(F)(F)F)c1nc(C)cs1 ZINC000428648094 975949100 /nfs/dbraw/zinc/94/91/00/975949100.db2.gz KRLGRVZIXFASGE-CQSZACIVSA-N -1 3 411.405 3.736 20 0 HHADHM O=C([N-]c1nnc(Cc2ccccc2F)s1)c1cnc(OCc2ccccc2)cn1 ZINC000428722178 976010618 /nfs/dbraw/zinc/01/06/18/976010618.db2.gz OSUXIGBUTAUEFX-UHFFFAOYSA-N -1 3 421.457 3.889 20 0 HHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CCC[C@H](CSC)C3)nc(=O)c2c1C ZINC000429269953 976557294 /nfs/dbraw/zinc/55/72/94/976557294.db2.gz CZSGFULPSIICNO-STQMWFEESA-N -1 3 409.577 3.606 20 0 HHADHM Cc1ncc(CNC(=O)Nc2ccnn2[C@@H](C)c2cc(Cl)ccc2Cl)c(=O)[n-]1 ZINC000429712938 977004899 /nfs/dbraw/zinc/00/48/99/977004899.db2.gz COWCAPHIQXIMFC-JTQLQIEISA-N -1 3 421.288 3.925 20 0 HHADHM CC1(C)[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Br)[C@@H]2CCCO[C@@H]21 ZINC000429825316 977095590 /nfs/dbraw/zinc/09/55/90/977095590.db2.gz FUJNXLNRDLFXTB-GDLCADMTSA-N -1 3 408.745 3.584 20 0 HHADHM O=S(=O)([N-]CCOCc1ccccc1)c1cc(Cl)ccc1Br ZINC000429829663 977099714 /nfs/dbraw/zinc/09/97/14/977099714.db2.gz LYPKUBKAFHGXBN-UHFFFAOYSA-N -1 3 404.713 3.598 20 0 HHADHM CCOC(=O)c1sc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)nc1C ZINC000429874115 977148887 /nfs/dbraw/zinc/14/88/87/977148887.db2.gz UGEYBUXFHZNAHU-SECBINFHSA-N -1 3 423.343 3.975 20 0 HHADHM COc1cc(Br)c(S(=O)(=O)[N-]C[C@@H]2CCC(F)(F)C2)cc1Cl ZINC000429877640 977153000 /nfs/dbraw/zinc/15/30/00/977153000.db2.gz CGCZRQOEEICRPF-MRVPVSSYSA-N -1 3 418.687 3.825 20 0 HHADHM CC(C)OC(=O)CC[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429902959 977177847 /nfs/dbraw/zinc/17/78/47/977177847.db2.gz NMHYUFBFUCGVKF-SNVBAGLBSA-N -1 3 412.733 3.501 20 0 HHADHM O=S(=O)([N-][C@H]1COc2ccc(F)cc21)c1cc(Cl)ccc1Br ZINC000429901774 977178005 /nfs/dbraw/zinc/17/80/05/977178005.db2.gz VMQAWOAUKKTQED-LBPRGKRZSA-N -1 3 406.660 3.654 20 0 HHADHM CN(C(=O)[C@H]1CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C1)c1ccccc1 ZINC000430323839 977477061 /nfs/dbraw/zinc/47/70/61/977477061.db2.gz PCZXOWVBBOSTKB-HNNXBMFYSA-N -1 3 402.454 3.567 20 0 HHADHM O=C(Nc1ccc(-n2cnnn2)cc1)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430406735 977527772 /nfs/dbraw/zinc/52/77/72/977527772.db2.gz MTZZDRKCQZSYQK-UHFFFAOYSA-N -1 3 424.420 3.548 20 0 HHADHM CNC(=O)c1ccc(NC(=O)c2c[n-]c3ccc(Oc4ccccc4)cc3c2=O)cc1 ZINC000430416466 977532152 /nfs/dbraw/zinc/53/21/52/977532152.db2.gz RNCAHTUBNDOZMI-UHFFFAOYSA-N -1 3 413.433 3.932 20 0 HHADHM O=C(Nc1ccc(-n2cncn2)nc1)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430448462 977558181 /nfs/dbraw/zinc/55/81/81/977558181.db2.gz LQFOBTWWVQUWGQ-UHFFFAOYSA-N -1 3 424.420 3.548 20 0 HHADHM O=C(NCC1CCSCC1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430645378 977666006 /nfs/dbraw/zinc/66/60/06/977666006.db2.gz BHYPRMAEJGSCKF-UHFFFAOYSA-N -1 3 415.740 3.817 20 0 HHADHM O=C([O-])[C@@H]1CCN(CC(=O)N(Cc2ccc(F)cc2)C23CC4CC(CC(C4)C2)C3)C1 ZINC000430654837 977670333 /nfs/dbraw/zinc/67/03/33/977670333.db2.gz SKHFSKRMBPNNQN-LOXVZWDBSA-N -1 3 414.521 3.530 20 0 HHADHM CCc1occc1C(=O)NCc1cccc([N-]S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000430701565 977703142 /nfs/dbraw/zinc/70/31/42/977703142.db2.gz PGDIUJSYWRCSSY-UHFFFAOYSA-N -1 3 414.483 3.581 20 0 HHADHM O=C(CCc1cc(Cl)ccc1Br)Nc1cccc(-c2nnn[n-]2)c1 ZINC000431167050 978067717 /nfs/dbraw/zinc/06/77/17/978067717.db2.gz KUSFWACFBSRRQS-UHFFFAOYSA-N -1 3 406.671 3.854 20 0 HHADHM O=C(CCc1cc(Cl)ccc1Br)Nc1cccc(-c2nn[n-]n2)c1 ZINC000431167050 978067720 /nfs/dbraw/zinc/06/77/20/978067720.db2.gz KUSFWACFBSRRQS-UHFFFAOYSA-N -1 3 406.671 3.854 20 0 HHADHM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2Br)c1Cl ZINC000431185618 978083426 /nfs/dbraw/zinc/08/34/26/978083426.db2.gz ZQVLTDLDGXYVFK-UHFFFAOYSA-N -1 3 418.696 3.998 20 0 HHADHM CCOc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(C(=O)OC)[n-]3)cc2)cc1 ZINC000431257129 978143111 /nfs/dbraw/zinc/14/31/11/978143111.db2.gz SLRBBVCOTXUWPX-UHFFFAOYSA-N -1 3 407.426 3.705 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@H](C[C@@H](C)O)c2ccccc2)s1 ZINC000431313880 978198856 /nfs/dbraw/zinc/19/88/56/978198856.db2.gz NWHFZSBNAKVMKO-RISCZKNCSA-N -1 3 418.378 3.652 20 0 HHADHM COCCNc1ccccc1CNC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000431528530 978348476 /nfs/dbraw/zinc/34/84/76/978348476.db2.gz NHTRESCLIWKCLX-UHFFFAOYSA-N -1 3 407.474 3.538 20 0 HHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C[C@H](c2ccccc2)C2CC2)cc1Cl ZINC000431601289 978376924 /nfs/dbraw/zinc/37/69/24/978376924.db2.gz DHLDWZGFUJIRAL-OAHLLOKOSA-N -1 3 410.898 3.910 20 0 HHADHM CCCCN(C)C(=O)c1ccccc1S(=O)(=O)[N-][C@H](c1ccccc1)C(F)F ZINC000431637404 978399684 /nfs/dbraw/zinc/39/96/84/978399684.db2.gz ZAZNLBKXJCKUIE-GOSISDBHSA-N -1 3 410.486 3.843 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@H](c2ccccc2)C(F)F)cc1OC ZINC000431702985 978446660 /nfs/dbraw/zinc/44/66/60/978446660.db2.gz PXKQUPUKAMPOFM-MRXNPFEDSA-N -1 3 413.446 3.585 20 0 HHADHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](Cc2ccccc2)c2cccs2)oc1C ZINC000431826159 978539602 /nfs/dbraw/zinc/53/96/02/978539602.db2.gz ZGIVNVOECFJYKJ-INIZCTEOSA-N -1 3 405.497 3.698 20 0 HHADHM Cc1cnc(C(C)(C)[N-]S(=O)(=O)c2cc(Br)c(F)cc2F)s1 ZINC000431906391 978590567 /nfs/dbraw/zinc/59/05/67/978590567.db2.gz YEHVQGQYVSXXKJ-UHFFFAOYSA-N -1 3 411.293 3.706 20 0 HHADHM COc1cc(F)c(S(=O)(=O)[N-]CC[C@@H](c2ccccc2)C(F)(F)F)cc1OC ZINC000432287585 978745350 /nfs/dbraw/zinc/74/53/50/978745350.db2.gz SYHHJRYSANYPFF-ZDUSSCGKSA-N -1 3 421.412 3.857 20 0 HHADHM CC[C@@H](CNC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)Oc1cccc(C(F)(F)F)c1 ZINC000432345942 978769668 /nfs/dbraw/zinc/76/96/68/978769668.db2.gz JCCPHUWSLGJYLN-ZDUSSCGKSA-N -1 3 421.375 3.568 20 0 HHADHM CN(C)[C@H]1CCOc2c([N-]S(=O)(=O)c3ccc(CC(F)(F)F)cc3)cccc21 ZINC000432471825 978832102 /nfs/dbraw/zinc/83/21/02/978832102.db2.gz YWTGVVQRJLMDHD-KRWDZBQOSA-N -1 3 414.449 3.977 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc3c2OCC[C@H]3N(C)C)cc1Cl ZINC000432490927 978845312 /nfs/dbraw/zinc/84/53/12/978845312.db2.gz UKEPNDQZAPZPOL-MRXNPFEDSA-N -1 3 410.923 3.843 20 0 HHADHM CN(C)c1ccc(S(=O)(=O)[N-]c2cccc(CSC3CCOCC3)c2)cc1 ZINC000432764268 978965217 /nfs/dbraw/zinc/96/52/17/978965217.db2.gz UFQFDKNSIMHNJE-UHFFFAOYSA-N -1 3 406.573 3.966 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(NC(=O)[C@@H](C)OC)c2)cc1C(C)C ZINC000432767107 978967022 /nfs/dbraw/zinc/96/70/22/978967022.db2.gz SAJVWSIHHSCDMD-OAHLLOKOSA-N -1 3 420.531 3.901 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(CN(C(C)=O)C3CC3)cc2)cc1Cl ZINC000432772900 978970139 /nfs/dbraw/zinc/97/01/39/978970139.db2.gz YNTMRQUVXIBPEK-UHFFFAOYSA-N -1 3 422.934 3.969 20 0 HHADHM CCC[C@@](C)(O)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(OCC)cc2)c1 ZINC000432839160 978988554 /nfs/dbraw/zinc/98/85/54/978988554.db2.gz JZTLMIOMJWVPNI-OAQYLSRUSA-N -1 3 420.531 3.684 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)Nc3ccc(F)c(Cl)c3)c2)[n-]1 ZINC000432898386 979004588 /nfs/dbraw/zinc/00/45/88/979004588.db2.gz IRCYDQPSBJYJIY-UHFFFAOYSA-N -1 3 417.828 3.763 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)Nc3ccc(F)c(Cl)c3)c2)n[n-]1 ZINC000432898386 979004591 /nfs/dbraw/zinc/00/45/91/979004591.db2.gz IRCYDQPSBJYJIY-UHFFFAOYSA-N -1 3 417.828 3.763 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)Nc3ccc(C)c(Cl)c3)c2)[n-]1 ZINC000432900451 979005416 /nfs/dbraw/zinc/00/54/16/979005416.db2.gz BLUCRBMZLIWRTK-UHFFFAOYSA-N -1 3 413.865 3.932 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)Nc3ccc(C)c(Cl)c3)c2)n[n-]1 ZINC000432900451 979005421 /nfs/dbraw/zinc/00/54/21/979005421.db2.gz BLUCRBMZLIWRTK-UHFFFAOYSA-N -1 3 413.865 3.932 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNc3ncnc4sc(CC)cc43)c2)[n-]1 ZINC000432940699 979017427 /nfs/dbraw/zinc/01/74/27/979017427.db2.gz WBAXUZGKPYZTRZ-UHFFFAOYSA-N -1 3 408.487 3.828 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNc3ncnc4sc(CC)cc43)c2)n[n-]1 ZINC000432940699 979017432 /nfs/dbraw/zinc/01/74/32/979017432.db2.gz WBAXUZGKPYZTRZ-UHFFFAOYSA-N -1 3 408.487 3.828 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc([C@H](C)N3CCOCC3)cc2)cc1Cl ZINC000432952502 979021349 /nfs/dbraw/zinc/02/13/49/979021349.db2.gz ZHAYQKYEUPALLD-HNNXBMFYSA-N -1 3 424.950 3.851 20 0 HHADHM Cc1c[nH]c(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(Cl)ccc3F)c2)n1 ZINC000433042236 979050242 /nfs/dbraw/zinc/05/02/42/979050242.db2.gz YKBRLPSTDOQMJJ-UHFFFAOYSA-N -1 3 422.869 3.872 20 0 HHADHM Cc1ccc(NC(=O)N2CCN(C(=O)c3cc([O-])ccc3Cl)CC2)cc1Cl ZINC000433122956 979084752 /nfs/dbraw/zinc/08/47/52/979084752.db2.gz SREBEZSBFKMRFE-UHFFFAOYSA-N -1 3 408.285 3.997 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)Nc3ccc(OC(C)C)cc3)c2)[n-]1 ZINC000433242908 979173538 /nfs/dbraw/zinc/17/35/38/979173538.db2.gz FHHHVMNTPMCZED-UHFFFAOYSA-N -1 3 423.473 3.757 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)Nc3ccc(OC(C)C)cc3)c2)n[n-]1 ZINC000433242908 979173546 /nfs/dbraw/zinc/17/35/46/979173546.db2.gz FHHHVMNTPMCZED-UHFFFAOYSA-N -1 3 423.473 3.757 20 0 HHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3cccc(C(=O)Nc4ccccn4)c3)c[n-]c12 ZINC000433356748 979254519 /nfs/dbraw/zinc/25/45/19/979254519.db2.gz ZZGSUAPYENZCTD-UHFFFAOYSA-N -1 3 416.412 3.875 20 0 HHADHM O=S(=O)([N-]c1ncccc1Br)c1ccc(OCC(F)(F)F)cc1 ZINC000433394495 979273422 /nfs/dbraw/zinc/27/34/22/979273422.db2.gz MNSILRWIWCVJHW-UHFFFAOYSA-N -1 3 411.199 3.586 20 0 HHADHM O=S(=O)([N-][C@@H]1CCOC2(CCSCC2)C1)c1cc(C(F)(F)F)ccc1F ZINC000433478857 979327641 /nfs/dbraw/zinc/32/76/41/979327641.db2.gz DYPANGNRTMFIBJ-GFCCVEGCSA-N -1 3 413.458 3.568 20 0 HHADHM O=S(=O)([N-][C@@H]1CCOC2(CCSCC2)C1)c1ccc(F)cc1C(F)(F)F ZINC000433484160 979330201 /nfs/dbraw/zinc/33/02/01/979330201.db2.gz PBWRQMDWOJTRAW-GFCCVEGCSA-N -1 3 413.458 3.568 20 0 HHADHM COC(=O)COc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2C)cc1Cl ZINC000433605323 979419893 /nfs/dbraw/zinc/41/98/93/979419893.db2.gz BRNYBFCOUBRDTH-UHFFFAOYSA-N -1 3 404.271 3.654 20 0 HHADHM COc1ccc(C[N-]S(=O)(=O)c2cc(Br)sc2Cl)cc1F ZINC000433650262 979452375 /nfs/dbraw/zinc/45/23/75/979452375.db2.gz RESCOXDTWOJILQ-UHFFFAOYSA-N -1 3 414.705 3.790 20 0 HHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)CC[C@@H]2CCOC2)cc1 ZINC000433867871 979637368 /nfs/dbraw/zinc/63/73/68/979637368.db2.gz FIXTWNQPWINZJZ-QGZVFWFLSA-N -1 3 402.516 3.859 20 0 HHADHM CCCN(C(=O)c1cc(S(=O)(=O)[N-]C)oc1C)[C@H](C)c1cc2ccccc2o1 ZINC000434081357 979827237 /nfs/dbraw/zinc/82/72/37/979827237.db2.gz CEDLYDPOQROTBS-CYBMUJFWSA-N -1 3 404.488 3.856 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(OCC3CCCCC3)cc2)c(C)o1 ZINC000434094055 979843129 /nfs/dbraw/zinc/84/31/29/979843129.db2.gz ZKHHOOCRFGSRRY-UHFFFAOYSA-N -1 3 406.504 3.708 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)N(C)c2ccc(Oc3ccccc3)cc2)c(C)o1 ZINC000434099920 979850123 /nfs/dbraw/zinc/85/01/23/979850123.db2.gz MZQGWTAWCPAGDH-UHFFFAOYSA-N -1 3 400.456 3.565 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2Oc2cccc(F)c2)c(C)o1 ZINC000434192110 979958513 /nfs/dbraw/zinc/95/85/13/979958513.db2.gz VAPZZNOVYKOSCE-UHFFFAOYSA-N -1 3 404.419 3.680 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)c(C)o1 ZINC000434202903 979969499 /nfs/dbraw/zinc/96/94/99/979969499.db2.gz LBFSPCHYCBFVGL-HNNXBMFYSA-N -1 3 417.314 3.780 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H]3C[C@@H]3C3CC3)ccc2C)cc1 ZINC000434228982 980000087 /nfs/dbraw/zinc/00/00/87/980000087.db2.gz QGNZOFLCXBWLGT-RTBURBONSA-N -1 3 400.500 3.789 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CC[C@H]3CCOC3)ccc2C)cc1 ZINC000434230601 980001422 /nfs/dbraw/zinc/00/14/22/980001422.db2.gz XCRRGFQFJSFGPL-INIZCTEOSA-N -1 3 418.515 3.560 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H](C)c2ccc(-c3ccccc3)cc2)c(C)o1 ZINC000434359043 980113843 /nfs/dbraw/zinc/11/38/43/980113843.db2.gz KAUAKKNOXLISSX-HNNXBMFYSA-N -1 3 412.511 3.996 20 0 HHADHM COc1cc(NC(C)=O)ccc1NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000435136730 980667957 /nfs/dbraw/zinc/66/79/57/980667957.db2.gz GRIQWYMLJUCXSO-UHFFFAOYSA-N -1 3 407.430 3.769 20 0 HHADHM CCCc1c(NC(=O)NCc2ncccc2[O-])cnn1-c1cc(F)c(OC)cc1F ZINC000435178917 980701544 /nfs/dbraw/zinc/70/15/44/980701544.db2.gz SRJONJHHIJMYRH-UHFFFAOYSA-N -1 3 417.416 3.534 20 0 HHADHM O=S(=O)([N-][C@H]1CCOC2(CCCCC2)C1)c1cc(F)ccc1Br ZINC000435206895 980721828 /nfs/dbraw/zinc/72/18/28/980721828.db2.gz JGYBMCVDVFSCOA-ZDUSSCGKSA-N -1 3 406.317 3.748 20 0 HHADHM O=S(=O)([N-][C@@H](c1ccccc1)[C@@H]1CCCO1)c1cc(F)ccc1Br ZINC000435210020 980723421 /nfs/dbraw/zinc/72/34/21/980723421.db2.gz ZVBJDMZDBMIHDB-RDJZCZTQSA-N -1 3 414.296 3.787 20 0 HHADHM O=S(=O)([N-][C@H]1CCOc2ccc(F)cc21)c1cc(F)ccc1Br ZINC000435221228 980730326 /nfs/dbraw/zinc/73/03/26/980730326.db2.gz WQGQAMHURPCDFE-ZDUSSCGKSA-N -1 3 404.232 3.529 20 0 HHADHM CC(C)(C)[C@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000435225418 980733562 /nfs/dbraw/zinc/73/35/62/980733562.db2.gz JJADDSKONMBYGJ-NHYWBVRUSA-N -1 3 408.333 3.708 20 0 HHADHM CC(C)c1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435432939 980860151 /nfs/dbraw/zinc/86/01/51/980860151.db2.gz PGBGYWVDOFQHKT-GFCCVEGCSA-N -1 3 407.298 3.661 20 0 HHADHM COC(=O)[C@@H](C)[C@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)c1ccccc1 ZINC000435440310 980863875 /nfs/dbraw/zinc/86/38/75/980863875.db2.gz VNRNQBCVUZGDKF-BONVTDFDSA-N -1 3 420.289 3.961 20 0 HHADHM O=S(=O)([N-][C@H]1C[C@H](c2ccccc2F)C1)c1cc(F)ccc1Br ZINC000435603448 980958078 /nfs/dbraw/zinc/95/80/78/980958078.db2.gz IMTWJYXLTZGRCO-UMSPYCQHSA-N -1 3 402.260 3.952 20 0 HHADHM CCn1cc(C(=O)[N-]c2nnc(Cc3cccc(OC)c3)s2)c(C(F)(F)F)n1 ZINC000435681316 980984907 /nfs/dbraw/zinc/98/49/07/980984907.db2.gz KALSAGUFUJBKAQ-UHFFFAOYSA-N -1 3 411.409 3.625 20 0 HHADHM Cn1ncc2c1ncc(C(=O)N1CCC[C@H]1c1ccc(Br)c(F)c1)c2[O-] ZINC000435967528 981120115 /nfs/dbraw/zinc/12/01/15/981120115.db2.gz UFHDYKVUARENNJ-HNNXBMFYSA-N -1 3 419.254 3.553 20 0 HHADHM Cc1nc(C)c(CC(=O)N2CCC[C@@H]2c2ccc(Br)c(F)c2)c(=O)[n-]1 ZINC000435973410 981124271 /nfs/dbraw/zinc/12/42/71/981124271.db2.gz FRSGGUQABYLWOR-MRXNPFEDSA-N -1 3 408.271 3.607 20 0 HHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(Cl)c(CN2CCOCC2)c1 ZINC000436040143 981174684 /nfs/dbraw/zinc/17/46/84/981174684.db2.gz MERKMESJMNHQDG-UHFFFAOYSA-N -1 3 418.925 3.526 20 0 HHADHM COc1cc(S(=O)(=O)[N-]c2ccccc2Cl)c(OC)cc1Br ZINC000436058771 981182645 /nfs/dbraw/zinc/18/26/45/981182645.db2.gz ZIIZNGZXZUFHQV-UHFFFAOYSA-N -1 3 406.685 3.921 20 0 HHADHM COC[C@@H]([N-]S(=O)(=O)c1sc(C)cc1Br)c1ccc(F)cc1 ZINC000436190864 981242625 /nfs/dbraw/zinc/24/26/25/981242625.db2.gz OJCKVVDJKZNPBL-CYBMUJFWSA-N -1 3 408.314 3.624 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccnc(C)c3)ccc2C)cc1 ZINC000436272966 981279365 /nfs/dbraw/zinc/27/93/65/981279365.db2.gz HQVUZFMYFILYDY-UHFFFAOYSA-N -1 3 411.483 3.760 20 0 HHADHM C[C@H](CC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(F)cc1F ZINC000436481940 981395472 /nfs/dbraw/zinc/39/54/72/981395472.db2.gz FYTNNSYIVPQGTJ-CQSZACIVSA-N -1 3 402.441 3.585 20 0 HHADHM CCCN(C(=O)c1cc(OC)c([O-])c(OC)c1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000436497772 981401955 /nfs/dbraw/zinc/40/19/55/981401955.db2.gz UVOQOHQNIURITL-HNNXBMFYSA-N -1 3 400.475 3.679 20 0 HHADHM Cc1cc(F)cc([C@@]2(F)CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])C2)c1 ZINC000436515410 981411926 /nfs/dbraw/zinc/41/19/26/981411926.db2.gz QWUSMNPWULUILH-WMZHIEFXSA-N -1 3 414.452 3.542 20 0 HHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1csc(-c2cccs2)n1 ZINC000436526966 981419856 /nfs/dbraw/zinc/41/98/56/981419856.db2.gz JYWZCOWKSZSUDH-UHFFFAOYSA-N -1 3 413.524 3.612 20 0 HHADHM CC(C)[C@H]1CN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCS1 ZINC000436527453 981420195 /nfs/dbraw/zinc/42/01/95/981420195.db2.gz LIRRAFPVBJLYLZ-NHCUHLMSSA-N -1 3 412.555 3.853 20 0 HHADHM CC(C)[C@@H]1CN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCS1 ZINC000436527454 981420293 /nfs/dbraw/zinc/42/02/93/981420293.db2.gz LIRRAFPVBJLYLZ-RTWAWAEBSA-N -1 3 412.555 3.853 20 0 HHADHM Cc1ccc(OCCCC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c(C)c1 ZINC000436531112 981423524 /nfs/dbraw/zinc/42/35/24/981423524.db2.gz CLGCFPYAHNRBDY-UHFFFAOYSA-N -1 3 410.514 3.589 20 0 HHADHM COC(=O)c1occc1CN(C(=O)c1ccc(OC)cc1[O-])[C@H](C)c1ccccn1 ZINC000436531577 981423608 /nfs/dbraw/zinc/42/36/08/981423608.db2.gz DDHOUXIEILTZNQ-CQSZACIVSA-N -1 3 410.426 3.579 20 0 HHADHM COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)c1ccc(O)cc1[O-])CC2 ZINC000436552824 981437944 /nfs/dbraw/zinc/43/79/44/981437944.db2.gz AMSWVPZNHWNAHO-NRFANRHFSA-N -1 3 411.479 3.964 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCc2cc(F)ccc2C1 ZINC000436552667 981438015 /nfs/dbraw/zinc/43/80/15/981438015.db2.gz APLIAMGMSPQGFV-HSZRJFAPSA-N -1 3 418.468 3.977 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCCC[C@H]1CCCC[C@@H]1O ZINC000436552852 981438080 /nfs/dbraw/zinc/43/80/80/981438080.db2.gz ASGJDMQCWWFNBU-OIBXWCBGSA-N -1 3 424.541 3.701 20 0 HHADHM CSCC[C@@H](C)N(C)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436553557 981438662 /nfs/dbraw/zinc/43/86/62/981438662.db2.gz CXFQZJOFHOROMV-OXQOHEQNSA-N -1 3 400.544 3.853 20 0 HHADHM CSCC[C@@H](C)N(C)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436553559 981438964 /nfs/dbraw/zinc/43/89/64/981438964.db2.gz CXFQZJOFHOROMV-UZLBHIALSA-N -1 3 400.544 3.853 20 0 HHADHM CS[C@@H]1CCCCN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000436554193 981439516 /nfs/dbraw/zinc/43/95/16/981439516.db2.gz DYAIXMCAQUMHFH-NHCUHLMSSA-N -1 3 412.555 3.998 20 0 HHADHM COc1ccc(O)c(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC000436558780 981443398 /nfs/dbraw/zinc/44/33/98/981443398.db2.gz XHSDUHHINXMJQA-IBGZPJMESA-N -1 3 406.438 3.606 20 0 HHADHM CC1(C)C[C@H](NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C(C)(C)O1 ZINC000436559623 981444011 /nfs/dbraw/zinc/44/40/11/981444011.db2.gz ALPLIYQJUQWRDX-UXHICEINSA-N -1 3 410.514 3.716 20 0 HHADHM CC(C)C[C@@H]1OCCC[C@H]1NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436560424 981444656 /nfs/dbraw/zinc/44/46/56/981444656.db2.gz FQLPFCRAHQRQOU-ZLNRFVROSA-N -1 3 424.541 3.963 20 0 HHADHM Cc1ccccc1-c1nnc(N2CCN(C(=O)c3ccccc3[O-])CC2)n1CC(C)C ZINC000436562118 981446372 /nfs/dbraw/zinc/44/63/72/981446372.db2.gz JRUCZGRVCPYFAJ-UHFFFAOYSA-N -1 3 419.529 3.578 20 0 HHADHM CC(C)C[C@@H]1C[C@@H](NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCO1 ZINC000436562710 981446438 /nfs/dbraw/zinc/44/64/38/981446438.db2.gz NVXHPGAWRQIIEW-MDNUFGMLSA-N -1 3 424.541 3.963 20 0 HHADHM CS(=O)(=O)Cc1ccc(CNC(=O)c2cc(Oc3ccccc3)ccc2[O-])cc1 ZINC000436566205 981448496 /nfs/dbraw/zinc/44/84/96/981448496.db2.gz WSASHZYSDHOVKS-UHFFFAOYSA-N -1 3 411.479 3.659 20 0 HHADHM COc1ccc(C(=O)N(CC(=O)Nc2ccccc2C(F)(F)F)C(C)C)c([O-])c1 ZINC000436566081 981448514 /nfs/dbraw/zinc/44/85/14/981448514.db2.gz UVPKSBLPJSWSQP-UHFFFAOYSA-N -1 3 410.392 3.909 20 0 HHADHM COc1ccc([O-])c(-c2nc(COc3ccc(I)cc3)no2)c1 ZINC000436579149 981457300 /nfs/dbraw/zinc/45/73/00/981457300.db2.gz BWYXHSIHIWGFBU-UHFFFAOYSA-N -1 3 424.194 3.634 20 0 HHADHM COc1cccc(-c2nc(COc3ccc(I)cc3)no2)c1[O-] ZINC000436580712 981458096 /nfs/dbraw/zinc/45/80/96/981458096.db2.gz HKQYSVHHADDZHP-UHFFFAOYSA-N -1 3 424.194 3.634 20 0 HHADHM Cc1noc(C)c1CN1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000436582947 981459490 /nfs/dbraw/zinc/45/94/90/981459490.db2.gz MLGGYFFYFONILD-UHFFFAOYSA-N -1 3 419.525 3.740 20 0 HHADHM O=C(CCc1cc(Cl)cc(Cl)c1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436597865 981466810 /nfs/dbraw/zinc/46/68/10/981466810.db2.gz XBOLVBPCKGVUAX-UHFFFAOYSA-N -1 3 407.297 3.616 20 0 HHADHM COc1ccc(OC)c(CN(CCO)C(=O)c2cc(Oc3ccccc3)ccc2[O-])c1 ZINC000436606904 981470903 /nfs/dbraw/zinc/47/09/03/981470903.db2.gz RFBKOYYGBGYJCU-UHFFFAOYSA-N -1 3 423.465 3.836 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@@H]1CCc2ccccc2C1 ZINC000436606274 981470917 /nfs/dbraw/zinc/47/09/17/981470917.db2.gz RBSXUTAFEKYQMN-ISKFKSNPSA-N -1 3 414.505 3.927 20 0 HHADHM Cn1cc(C(=O)C[C@@H]2CCCN2C(=O)c2cc(CCc3ccccc3)ccc2[O-])cn1 ZINC000436607056 981470951 /nfs/dbraw/zinc/47/09/51/981470951.db2.gz RRKAGRPPALPEAK-NRFANRHFSA-N -1 3 417.509 3.789 20 0 HHADHM CCSc1cc(Cl)ccc1C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436610153 981473358 /nfs/dbraw/zinc/47/33/58/981473358.db2.gz MPZFVPBBMIPRPP-UHFFFAOYSA-N -1 3 404.919 3.756 20 0 HHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000436611868 981474162 /nfs/dbraw/zinc/47/41/62/981474162.db2.gz YYENISPHZNNCDZ-HKUYNNGSSA-N -1 3 407.432 3.810 20 0 HHADHM Cn1cnc(-c2ccc(Br)cc2)c1NC(=O)c1cc2c(cc1[O-])OCO2 ZINC000436613021 981474790 /nfs/dbraw/zinc/47/47/90/981474790.db2.gz ZSGCRGLZIVQSDP-UHFFFAOYSA-N -1 3 416.231 3.536 20 0 HHADHM O=C(Nc1ccccc1CN1C(=O)CCC1=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436617419 981476740 /nfs/dbraw/zinc/47/67/40/981476740.db2.gz ICPKIDCWILWOKX-UHFFFAOYSA-N -1 3 414.461 3.884 20 0 HHADHM O=C(c1ccsc1)N1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000436618525 981477747 /nfs/dbraw/zinc/47/77/47/981477747.db2.gz RWUWPBZMKRKBAA-UHFFFAOYSA-N -1 3 420.534 3.837 20 0 HHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCN(c2ncccc2Cl)CC1 ZINC000436619432 981477806 /nfs/dbraw/zinc/47/78/06/981477806.db2.gz WKTMNTFDSNUYLI-UHFFFAOYSA-N -1 3 407.901 3.994 20 0 HHADHM Cc1ccc2nc(C3CC3)cc(C(=O)Nc3cc4c(cc3[O-])n(C)c(=O)n4C)c2c1 ZINC000436619544 981477944 /nfs/dbraw/zinc/47/79/44/981477944.db2.gz PQHJANDEBNJCSK-UHFFFAOYSA-N -1 3 402.454 3.569 20 0 HHADHM CC[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])Oc1cccc(Cl)c1 ZINC000436620968 981478355 /nfs/dbraw/zinc/47/83/55/981478355.db2.gz AEZFIQFYSKXSCG-LPHOPBHVSA-N -1 3 416.905 3.624 20 0 HHADHM O=C(N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436621153 981479142 /nfs/dbraw/zinc/47/91/42/981479142.db2.gz CLUZTDNGLWXBNJ-NXHRZFHOSA-N -1 3 418.415 3.688 20 0 HHADHM Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000436622172 981479618 /nfs/dbraw/zinc/47/96/18/981479618.db2.gz WYYBERQHYKSPCG-WPYKKVEZSA-N -1 3 422.525 3.589 20 0 HHADHM COCc1ccccc1NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000436626006 981481506 /nfs/dbraw/zinc/48/15/06/981481506.db2.gz HARDRHLDUSLLRK-UHFFFAOYSA-N -1 3 411.483 3.737 20 0 HHADHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1c(F)cc(F)cc1-c1ccccc1 ZINC000436628699 981482660 /nfs/dbraw/zinc/48/26/60/981482660.db2.gz HHWJJOSZQXIGFG-UHFFFAOYSA-N -1 3 411.408 3.889 20 0 HHADHM COCc1cccc(NC(=O)Cc2csc(NC(=O)c3cc(C)ccc3[O-])n2)c1 ZINC000436636349 981486372 /nfs/dbraw/zinc/48/63/72/981486372.db2.gz PVWNYKKVPZVLGW-UHFFFAOYSA-N -1 3 411.483 3.737 20 0 HHADHM CCC[C@H]1SCCN1C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000436636990 981487163 /nfs/dbraw/zinc/48/71/63/981487163.db2.gz XVPKSBDFGVONGT-QGZVFWFLSA-N -1 3 405.545 3.654 20 0 HHADHM CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2c([O-])cccc2O)CC1 ZINC000436650868 981492654 /nfs/dbraw/zinc/49/26/54/981492654.db2.gz XZUXTAWJHJFQPA-MRXNPFEDSA-N -1 3 419.319 3.769 20 0 HHADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)c2ccccc2Nc2ccccc2)CC1 ZINC000436652836 981493200 /nfs/dbraw/zinc/49/32/00/981493200.db2.gz AINYXAAZXAORGS-UHFFFAOYSA-N -1 3 401.466 3.734 20 0 HHADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 ZINC000436654946 981494024 /nfs/dbraw/zinc/49/40/24/981494024.db2.gz KQQNFLVDLOWILR-UHFFFAOYSA-N -1 3 400.478 3.509 20 0 HHADHM O=C(c1ccccc1[O-])N1CCN(C(=O)c2ccccc2CCc2ccccc2)CC1 ZINC000436660813 981497673 /nfs/dbraw/zinc/49/76/73/981497673.db2.gz BHFKJUCLCWIGJG-UHFFFAOYSA-N -1 3 414.505 3.776 20 0 HHADHM CCc1c(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cnn1C(CC)CC ZINC000436664938 981499953 /nfs/dbraw/zinc/49/99/53/981499953.db2.gz LHLRLDOYDFHQDA-UHFFFAOYSA-N -1 3 413.522 3.502 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2C[C@@H](C)O[C@H](c3ccccc3)C2)c1 ZINC000436665505 981500038 /nfs/dbraw/zinc/50/00/38/981500038.db2.gz PDYITNRROCSMQF-SZNDQCEHSA-N -1 3 421.453 3.543 20 0 HHADHM O=C(NC[C@H]1CCCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1)c1ccco1 ZINC000436668171 981501361 /nfs/dbraw/zinc/50/13/61/981501361.db2.gz WODZVQZHZYXSLO-HXUWFJFHSA-N -1 3 418.493 3.858 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)N2CC=C(c3c[nH]c4cc(F)ccc43)CC2)c([O-])c1 ZINC000436669023 981501433 /nfs/dbraw/zinc/50/14/33/981501433.db2.gz ZBLDIOJYAXVHQR-UHFFFAOYSA-N -1 3 421.472 3.757 20 0 HHADHM Cc1nc(C(C)(C)NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])sc1C ZINC000436669359 981501981 /nfs/dbraw/zinc/50/19/81/981501981.db2.gz KIIBNGQXGIHTOU-UHFFFAOYSA-N -1 3 414.487 3.679 20 0 HHADHM Cc1cnc([C@@H](NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])C2CC2)s1 ZINC000436669320 981502060 /nfs/dbraw/zinc/50/20/60/981502060.db2.gz JSJOBBUGZLKQEJ-KRWDZBQOSA-N -1 3 412.471 3.587 20 0 HHADHM CCC(CC)c1cc(CNC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])on1 ZINC000436671081 981503464 /nfs/dbraw/zinc/50/34/64/981503464.db2.gz UHNPZSPTYNWOKE-UHFFFAOYSA-N -1 3 412.446 3.763 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC[C@@H](C)Sc2ccccc2)c1 ZINC000436672455 981504113 /nfs/dbraw/zinc/50/41/13/981504113.db2.gz YXXBAVVEIHUZSD-CYBMUJFWSA-N -1 3 411.483 3.852 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)Nc2cc(-c3cncc(F)c3)ccc2C)c([O-])c1 ZINC000436677351 981506695 /nfs/dbraw/zinc/50/66/95/981506695.db2.gz XHTZIBMTKNAVCZ-UHFFFAOYSA-N -1 3 407.445 3.969 20 0 HHADHM O=C(CC(Cc1ccccc1)Cc1ccccc1)NCCNC(=O)c1ccc([O-])cc1 ZINC000436680284 981508163 /nfs/dbraw/zinc/50/81/63/981508163.db2.gz NMKLLNSMPMCNLW-UHFFFAOYSA-N -1 3 416.521 3.730 20 0 HHADHM Cc1ccc(-c2nsc(NC(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])n2)s1 ZINC000436680389 981508794 /nfs/dbraw/zinc/50/87/94/981508794.db2.gz JHLCUFNAKINZAW-CYBMUJFWSA-N -1 3 414.512 3.524 20 0 HHADHM CCO[C@H]1C[C@H](NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])C1(CC)CC ZINC000436680348 981508877 /nfs/dbraw/zinc/50/88/77/981508877.db2.gz NZIUBMKABPZGNZ-OALUTQOASA-N -1 3 415.490 3.655 20 0 HHADHM Cc1cc(C)n(-c2ccc(NC(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])cc2F)n1 ZINC000436680728 981509020 /nfs/dbraw/zinc/50/90/20/981509020.db2.gz OFKRDCXQOJEHTH-HXUWFJFHSA-N -1 3 422.460 3.577 20 0 HHADHM O=C(NCCNC(=O)C1(c2ccc(Cl)cc2)CCCCC1)c1ccc([O-])cc1 ZINC000436682152 981509608 /nfs/dbraw/zinc/50/96/08/981509608.db2.gz PWTTUDZFRHIGRW-UHFFFAOYSA-N -1 3 400.906 3.794 20 0 HHADHM Cc1ccc(C(=O)NCCc2nc(Cc3ccc(Cl)c(Cl)c3)no2)c([O-])c1 ZINC000436687734 981512307 /nfs/dbraw/zinc/51/23/07/981512307.db2.gz IVHJSERKGPSPGO-UHFFFAOYSA-N -1 3 406.269 3.954 20 0 HHADHM COc1cc(-c2nc(-c3ccc(C(=O)N4CCC[C@H]4C)cc3)no2)cc(OC)c1[O-] ZINC000436689767 981513765 /nfs/dbraw/zinc/51/37/65/981513765.db2.gz OGSIOUGYDZMGMG-CYBMUJFWSA-N -1 3 409.442 3.751 20 0 HHADHM O=C(Nc1nnc(CC2CCCCC2)s1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436690774 981514564 /nfs/dbraw/zinc/51/45/64/981514564.db2.gz QWUBSBBXKAQVPH-MRXNPFEDSA-N -1 3 414.531 3.610 20 0 HHADHM COc1cc(-c2nc(Cc3ccc(Br)c(F)c3)no2)cc(OC)c1[O-] ZINC000436691892 981515154 /nfs/dbraw/zinc/51/51/54/981515154.db2.gz UOJFXWCYSDWRMP-UHFFFAOYSA-N -1 3 409.211 3.952 20 0 HHADHM Cc1ccc(C(=O)NCCc2nc(-c3cccnc3Oc3ccccc3)no2)c([O-])c1 ZINC000436692890 981515987 /nfs/dbraw/zinc/51/59/87/981515987.db2.gz YSKWYFBBGDSADJ-UHFFFAOYSA-N -1 3 416.437 3.910 20 0 HHADHM CSc1cc(Br)ccc1CN1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436699639 981519740 /nfs/dbraw/zinc/51/97/40/981519740.db2.gz VWNWWBWENMEXNH-UHFFFAOYSA-N -1 3 421.360 3.835 20 0 HHADHM COc1cccc(C(=O)Nc2ccc3c(c2)N(C(=O)Cc2ccccc2)CC3)c1[O-] ZINC000436705941 981522068 /nfs/dbraw/zinc/52/20/68/981522068.db2.gz BCBJHPJLPJYIKS-UHFFFAOYSA-N -1 3 402.450 3.785 20 0 HHADHM O=C(N[C@@H]1CCC[C@H](c2ccccc2)C1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436711867 981525497 /nfs/dbraw/zinc/52/54/97/981525497.db2.gz CEAGHXHBMZHHDU-LEWJYISDSA-N -1 3 407.514 3.586 20 0 HHADHM C[C@]1(C2CC2)NC(=O)N(c2cccc(NC(=O)c3ccc4c(c3[O-])CCCC4)c2)C1=O ZINC000436718180 981528860 /nfs/dbraw/zinc/52/88/60/981528860.db2.gz YLPPMFMWUFRSEK-XMMPIXPASA-N -1 3 419.481 3.748 20 0 HHADHM CCCCOc1ccc(C(=O)N2CCN(c3ccc(F)c(OC)c3)CC2)c([O-])c1 ZINC000436719645 981529569 /nfs/dbraw/zinc/52/95/69/981529569.db2.gz IHFKRBSDXQRPPN-UHFFFAOYSA-N -1 3 402.466 3.681 20 0 HHADHM CC1(C)CC[C@H](NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c2ccccc21 ZINC000436728247 981534612 /nfs/dbraw/zinc/53/46/12/981534612.db2.gz JIMZZPDVEYXOCX-NRFANRHFSA-N -1 3 407.514 3.672 20 0 HHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000436731683 981536032 /nfs/dbraw/zinc/53/60/32/981536032.db2.gz QPAQFKAMNXTLMX-DENIHFKCSA-N -1 3 404.510 3.599 20 0 HHADHM CCC[C@H](CCc1ccccc1)NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436733492 981536879 /nfs/dbraw/zinc/53/68/79/981536879.db2.gz XQCXEYSAFKYGOE-HXUWFJFHSA-N -1 3 409.530 3.661 20 0 HHADHM C[C@H](NC(=O)c1cc(CCc2ccccc2)ccc1[O-])c1nnnn1-c1ccccc1 ZINC000436736393 981538282 /nfs/dbraw/zinc/53/82/82/981538282.db2.gz GQMLFBFQUUUQEE-KRWDZBQOSA-N -1 3 413.481 3.644 20 0 HHADHM O=C(N[C@@H]1CCCc2sc(Cl)cc21)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436739787 981539623 /nfs/dbraw/zinc/53/96/23/981539623.db2.gz QMLUXCHOFOGUCP-CABCVRRESA-N -1 3 404.919 3.906 20 0 HHADHM CCOc1cc(-c2nc3cc(C(=O)OC)ccc3n2C)cc(Br)c1[O-] ZINC000436741829 981540695 /nfs/dbraw/zinc/54/06/95/981540695.db2.gz TXZHLTKDMRHYTL-UHFFFAOYSA-N -1 3 405.248 3.894 20 0 HHADHM CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)c2cc(OC)c([O-])c(OC)c2)cc1 ZINC000436742352 981540959 /nfs/dbraw/zinc/54/09/59/981540959.db2.gz VWOQGHFPYFSJJO-AWEZNQCLSA-N -1 3 415.490 3.774 20 0 HHADHM CN(C)c1noc([C@H]2CCCN(C(=O)c3cc(CCc4ccccc4)ccc3[O-])C2)n1 ZINC000436745251 981541959 /nfs/dbraw/zinc/54/19/59/981541959.db2.gz SVRRWYGSJLVFAO-IBGZPJMESA-N -1 3 420.513 3.646 20 0 HHADHM CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436747710 981543376 /nfs/dbraw/zinc/54/33/76/981543376.db2.gz BRYIUODDBUVKMG-KRWDZBQOSA-N -1 3 422.403 3.554 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1cccc2c1OCO2 ZINC000436748267 981543930 /nfs/dbraw/zinc/54/39/30/981543930.db2.gz OKYBYXJPNGXXPQ-IBGZPJMESA-N -1 3 404.422 3.621 20 0 HHADHM Cc1ccc(-c2cncc(C(=O)NC3CCN(C(=O)c4ccccc4[O-])CC3)c2)cc1 ZINC000436751877 981545329 /nfs/dbraw/zinc/54/53/29/981545329.db2.gz VXMIPHXNHAQSBD-UHFFFAOYSA-N -1 3 415.493 3.797 20 0 HHADHM Cc1nc(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])sc1SCC(N)=O ZINC000436761376 981550438 /nfs/dbraw/zinc/55/04/38/981550438.db2.gz YVSUTLZGSRYLJE-UHFFFAOYSA-N -1 3 415.496 3.779 20 0 HHADHM CC(C)CCOc1ccc(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436770236 981554479 /nfs/dbraw/zinc/55/44/79/981554479.db2.gz LQIKQXVGBWZXLH-UHFFFAOYSA-N -1 3 411.502 3.807 20 0 HHADHM CC[C@@H](Oc1ccccc1C(C)C)C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436772979 981555714 /nfs/dbraw/zinc/55/57/14/981555714.db2.gz PRYXZYIGTWLQHB-OAQYLSRUSA-N -1 3 410.514 3.658 20 0 HHADHM O=C(c1cc2c(s1)-c1ccccc1OC2)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436774464 981556063 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20 0 HHADHM C[C@]12CCN(C(=O)C[C@@H](NC(=O)c3ccc([O-])cc3)c3ccccc3)C[C@H]1C2(F)F ZINC000436789894 981562543 /nfs/dbraw/zinc/56/25/43/981562543.db2.gz MCARUOGGHJBZLQ-KNKQGSTJSA-N -1 3 414.452 3.757 20 0 HHADHM COc1ccc(C(=O)N(Cc2cccc(Br)c2)C2CCOCC2)c([O-])c1 ZINC000436790270 981562707 /nfs/dbraw/zinc/56/27/07/981562707.db2.gz GLYCRLXRZRCRDV-UHFFFAOYSA-N -1 3 420.303 3.985 20 0 HHADHM Cc1occc1C(=O)NC1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000436794134 981564881 /nfs/dbraw/zinc/56/48/81/981564881.db2.gz AFAOALVJSNFPEH-UHFFFAOYSA-N -1 3 418.493 3.919 20 0 HHADHM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436797109 981566326 /nfs/dbraw/zinc/56/63/26/981566326.db2.gz DJEBGVNNTMFTHF-SFHVURJKSA-N -1 3 415.921 3.534 20 0 HHADHM Cc1nc(-c2ccccc2)sc1CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436797873 981566984 /nfs/dbraw/zinc/56/69/84/981566984.db2.gz PTTYXZFKOAEXLM-GOSISDBHSA-N -1 3 421.522 3.745 20 0 HHADHM O=C(c1cc(-c2ccc(Cl)cc2)c[nH]1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436797914 981567103 /nfs/dbraw/zinc/56/71/03/981567103.db2.gz IOKLTVPAFFRVDI-UHFFFAOYSA-N -1 3 409.873 3.639 20 0 HHADHM CC(C)(C)[C@H]1CN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCO1 ZINC000436806277 981570300 /nfs/dbraw/zinc/57/03/00/981570300.db2.gz UNGQNODZXFVTDW-NHCUHLMSSA-N -1 3 410.514 3.527 20 0 HHADHM O=C(c1cc2c(cc1[O-])OCO2)N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000436809678 981571103 /nfs/dbraw/zinc/57/11/03/981571103.db2.gz PHDHNZVEBLNUIQ-AWEZNQCLSA-N -1 3 419.275 3.600 20 0 HHADHM Cc1ccc(C(=O)Nc2cc(Br)cc(C(=O)N3CCCC3)c2)c([O-])c1 ZINC000436809825 981571170 /nfs/dbraw/zinc/57/11/70/981571170.db2.gz VGQXRLHYGJMQGC-UHFFFAOYSA-N -1 3 403.276 3.951 20 0 HHADHM O=C(c1cc2c(cc1[O-])OCO2)N1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000436810519 981571718 /nfs/dbraw/zinc/57/17/18/981571718.db2.gz BIUUKHGSPKGMJN-AWEZNQCLSA-N -1 3 408.223 4.000 20 0 HHADHM CCc1ccc(C(=O)N2CCN([C@@H](C)c3nc(-c4ccccc4)no3)CC2)c([O-])c1 ZINC000436811860 981572360 /nfs/dbraw/zinc/57/23/60/981572360.db2.gz LCQUTAUARQSRDY-INIZCTEOSA-N -1 3 406.486 3.524 20 0 HHADHM CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2ccc3ccccc3c2[O-])c1 ZINC000436823166 981577227 /nfs/dbraw/zinc/57/72/27/981577227.db2.gz ZTMISKWYTHXKEA-UHFFFAOYSA-N -1 3 414.483 3.534 20 0 HHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000436826622 981578604 /nfs/dbraw/zinc/57/86/04/981578604.db2.gz AXXGVSCTPZJOGI-UHFFFAOYSA-N -1 3 404.470 3.747 20 0 HHADHM CCc1ccc(C(=O)Nc2cnn(CC(=O)Nc3ccc(SC)cc3)c2)c([O-])c1 ZINC000436828627 981579520 /nfs/dbraw/zinc/57/95/20/981579520.db2.gz ZELJECXFLHYROB-UHFFFAOYSA-N -1 3 410.499 3.764 20 0 HHADHM O=C(N[C@@H]1CCCN(Cc2ccccn2)C1=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436829418 981579539 /nfs/dbraw/zinc/57/95/39/981579539.db2.gz BBRVDMDJEXCZFD-OAQYLSRUSA-N -1 3 417.465 3.501 20 0 HHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000436828901 981579677 /nfs/dbraw/zinc/57/96/77/981579677.db2.gz JTJPGXVTGCHLLE-UHFFFAOYSA-N -1 3 416.525 3.740 20 0 HHADHM O=C(c1ccccc1[O-])N1CCN(CCCc2ccccc2Br)CC1 ZINC000436837062 981583646 /nfs/dbraw/zinc/58/36/46/981583646.db2.gz NKVUJAXCGHZSCD-UHFFFAOYSA-N -1 3 403.320 3.545 20 0 HHADHM CCC1(CC)CN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CCS1(=O)=O ZINC000436840816 981585256 /nfs/dbraw/zinc/58/52/56/981585256.db2.gz RVBCIECCYBKUFW-UHFFFAOYSA-N -1 3 403.500 3.614 20 0 HHADHM O=C(c1ccccc1[O-])N1CCN(C(=O)[C@H]2C[C@H]2c2cccc(Cl)c2Cl)CC1 ZINC000436844214 981586607 /nfs/dbraw/zinc/58/66/07/981586607.db2.gz DYYGUPVXSLYBLX-HOTGVXAUSA-N -1 3 419.308 3.787 20 0 HHADHM CCc1ccc(C(=O)N2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)c([O-])c1 ZINC000436844950 981586731 /nfs/dbraw/zinc/58/67/31/981586731.db2.gz QONRTYZXVVEMLT-QGZVFWFLSA-N -1 3 410.518 3.826 20 0 HHADHM O=C(c1ccccc1[O-])N1CCN(Cc2c(-c3ccccc3)nc3ccccn32)CC1 ZINC000436848909 981588872 /nfs/dbraw/zinc/58/88/72/981588872.db2.gz XILAYFTZZUTRMM-UHFFFAOYSA-N -1 3 412.493 3.665 20 0 HHADHM CSC[C@H]1CCCN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000436852035 981591382 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AYZMZJDHYRPWRG-HNNXBMFYSA-N -1 3 420.431 3.889 20 0 HHADHM COc1ccc2sc(C(=O)N3CCN(C(=O)c4ccc([O-])cc4)CC3)c(C)c2c1 ZINC000436884625 981601086 /nfs/dbraw/zinc/60/10/86/981601086.db2.gz LBCWKWXZXNOKAV-UHFFFAOYSA-N -1 3 410.495 3.522 20 0 HHADHM CC(C)c1cc(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c2ccccc2n1 ZINC000436886887 981601862 /nfs/dbraw/zinc/60/18/62/981601862.db2.gz UXDPJZTUXDFDJR-UHFFFAOYSA-N -1 3 403.482 3.662 20 0 HHADHM O=C(NCCNC(=O)c1ccc(Oc2ccc(F)cc2F)cc1)c1ccc([O-])cc1 ZINC000436901239 981607803 /nfs/dbraw/zinc/60/78/03/981607803.db2.gz AOXYRDYYZUFWAX-UHFFFAOYSA-N -1 3 412.392 3.623 20 0 HHADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000436904771 981610956 /nfs/dbraw/zinc/61/09/56/981610956.db2.gz ZZFQKWQPAZXDIA-UHFFFAOYSA-N -1 3 412.795 3.663 20 0 HHADHM O=C(N[C@@H](CCc1ccccc1)C(F)(F)F)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436905370 981611061 /nfs/dbraw/zinc/61/10/61/981611061.db2.gz NZFPPXMAJZRAJE-HKUYNNGSSA-N -1 3 420.431 3.677 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)N[C@H](CCc2ccccc2)C(F)(F)F)c([O-])c1 ZINC000436907838 981613270 /nfs/dbraw/zinc/61/32/70/981613270.db2.gz UADUQOUNDXLOPX-GOSISDBHSA-N -1 3 408.420 3.500 20 0 HHADHM CO[C@@]1(C)CCCN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC1 ZINC000436907682 981613287 /nfs/dbraw/zinc/61/32/87/981613287.db2.gz STNYAZCYIHIPER-URXFXBBRSA-N -1 3 410.514 3.671 20 0 HHADHM CC(=O)Nc1ccc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cc1 ZINC000436907903 981613339 /nfs/dbraw/zinc/61/33/39/981613339.db2.gz ZFGVNUWUSUWWRB-QFIPXVFZSA-N -1 3 417.465 3.851 20 0 HHADHM COc1cccc(CCNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC000436908793 981613817 /nfs/dbraw/zinc/61/38/17/981613817.db2.gz KBEOGQADIRMTRF-HSZRJFAPSA-N -1 3 418.493 3.621 20 0 HHADHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000436909205 981614397 /nfs/dbraw/zinc/61/43/97/981614397.db2.gz XXTOTUQCZKSNJC-UTKZUKDTSA-N -1 3 410.489 3.932 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1ccc2oc(=O)[nH]c2c1 ZINC000436911209 981617003 /nfs/dbraw/zinc/61/70/03/981617003.db2.gz FIGGMMYJBQTVPQ-SFHVURJKSA-N -1 3 417.421 3.739 20 0 HHADHM COc1ccc(CN(CCc2ccccn2)C(=O)c2cc(OC)c([O-])c(OC)c2)cc1 ZINC000436914087 981619926 /nfs/dbraw/zinc/61/99/26/981619926.db2.gz KIPWVKKPIZBRPY-UHFFFAOYSA-N -1 3 422.481 3.698 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1ccc2c[nH]nc2c1 ZINC000436914111 981620396 /nfs/dbraw/zinc/62/03/96/981620396.db2.gz KNMJDWYRHVDKKW-HXUWFJFHSA-N -1 3 400.438 3.768 20 0 HHADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)C2(Cc3cccs3)CCCCC2)CC1 ZINC000436915024 981620442 /nfs/dbraw/zinc/62/04/42/981620442.db2.gz MQCUCNQIIPUOCU-UHFFFAOYSA-N -1 3 412.555 3.931 20 0 HHADHM NC(=O)c1cccc(Cc2noc(-c3cc(OCc4ccccc4)ccc3[O-])n2)c1 ZINC000436918409 981622901 /nfs/dbraw/zinc/62/29/01/981622901.db2.gz HWKFETULBNSVRI-UHFFFAOYSA-N -1 3 401.422 3.711 20 0 HHADHM O=C(Nc1ccccc1Br)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436921926 981624974 /nfs/dbraw/zinc/62/49/74/981624974.db2.gz YCWBHKOTMDSSJZ-UHFFFAOYSA-N -1 3 418.291 3.581 20 0 HHADHM COCCCCc1noc(-c2cc(CN3C(=O)c4ccccc4C3=O)cc(C)c2[O-])n1 ZINC000436921919 981625087 /nfs/dbraw/zinc/62/50/87/981625087.db2.gz XZYPOSYOEGJVDH-UHFFFAOYSA-N -1 3 421.453 3.516 20 0 HHADHM CC(C)(C)CC[C@H](CO)NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436924194 981626988 /nfs/dbraw/zinc/62/69/88/981626988.db2.gz BNGKHPWIFYVDEO-TZIWHRDSSA-N -1 3 412.530 3.557 20 0 HHADHM Cc1nc(C)c(CCNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)s1 ZINC000436926470 981628746 /nfs/dbraw/zinc/62/87/46/981628746.db2.gz LSFOANPQJANOLP-HXUWFJFHSA-N -1 3 423.538 3.686 20 0 HHADHM CC(C)c1ncc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cn1 ZINC000436928162 981629321 /nfs/dbraw/zinc/62/93/21/981629321.db2.gz QGIKJZAEDVWEAY-FQEVSTJZSA-N -1 3 404.470 3.806 20 0 HHADHM CC1(C)CN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)[C@@H]1[C@@H]1CCCO1 ZINC000436929298 981629379 /nfs/dbraw/zinc/62/93/79/981629379.db2.gz TZJLMSSAWDFYHM-QNWVGRARSA-N -1 3 422.525 3.669 20 0 HHADHM Cc1cc(NC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c(Cl)cc1F ZINC000436932207 981630976 /nfs/dbraw/zinc/63/09/76/981630976.db2.gz OEELDQRXMBZSLN-UHFFFAOYSA-N -1 3 405.857 3.919 20 0 HHADHM O=C(NC[C@H](Cc1ccccc1)C(F)(F)F)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436937578 981633776 /nfs/dbraw/zinc/63/37/76/981633776.db2.gz GDINVXSOKLOPCW-WMZOPIPTSA-N -1 3 420.431 3.534 20 0 HHADHM O=C(NC[C@@H](Cc1ccccc1)C(F)(F)F)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436937575 981633879 /nfs/dbraw/zinc/63/38/79/981633879.db2.gz GDINVXSOKLOPCW-AEFFLSMTSA-N -1 3 420.431 3.534 20 0 HHADHM CC(C)c1cccc(O[C@H](C)C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000436945168 981637725 /nfs/dbraw/zinc/63/77/25/981637725.db2.gz MFNVUOVIUPPOPO-QGZVFWFLSA-N -1 3 410.514 3.704 20 0 HHADHM C[C@@H](C(=O)Nc1cccc(NC(=O)c2ccc3c(c2[O-])CCCC3)c1)n1cccn1 ZINC000436946445 981638509 /nfs/dbraw/zinc/63/85/09/981638509.db2.gz AXNMDMIPFJNIHL-HNNXBMFYSA-N -1 3 404.470 3.920 20 0 HHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000436946961 981638528 /nfs/dbraw/zinc/63/85/28/981638528.db2.gz QAUCHINYKDRFPO-UHFFFAOYSA-N -1 3 412.489 3.998 20 0 HHADHM C[C@H](Sc1ccc(Cl)cc1)C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436949734 981640063 /nfs/dbraw/zinc/64/00/63/981640063.db2.gz ZASGQSJGSFOWBE-AWEZNQCLSA-N -1 3 418.946 3.947 20 0 HHADHM C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436950030 981640626 /nfs/dbraw/zinc/64/06/26/981640626.db2.gz XWDUHPPXFDONGB-QGZVFWFLSA-N -1 3 424.541 3.878 20 0 HHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCOC[C@H]1[C@@H]1CCCCC1=O ZINC000436951788 981641952 /nfs/dbraw/zinc/64/19/52/981641952.db2.gz TVNAWDMDNZFBFV-UNMCSNQZSA-N -1 3 407.510 3.778 20 0 HHADHM COC1(c2noc(-c3cc(CN4C(=O)c5ccccc5C4=O)cc(C)c3[O-])n2)CCC1 ZINC000436953105 981642944 /nfs/dbraw/zinc/64/29/44/981642944.db2.gz LOHNLNBSBRLTNO-UHFFFAOYSA-N -1 3 419.437 3.572 20 0 HHADHM Cc1[nH]c2ccc(CNC(=O)c3cc(NC(=O)c4cnoc4C)ccc3[O-])cc2c1C ZINC000436953530 981643609 /nfs/dbraw/zinc/64/36/09/981643609.db2.gz QKTZTESSBCMDQX-UHFFFAOYSA-N -1 3 418.453 3.969 20 0 HHADHM O=C(N[C@@H]1CCN(Cc2ccccc2)C1=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436954516 981644275 /nfs/dbraw/zinc/64/42/75/981644275.db2.gz WOTOBXWLAWISPM-OAQYLSRUSA-N -1 3 402.450 3.715 20 0 HHADHM COc1cc(-c2nc(-c3cn4ccc(Br)cc4n3)no2)cc(OC)c1[O-] ZINC000436955517 981645075 /nfs/dbraw/zinc/64/50/75/981645075.db2.gz KVMPISNTNGGNMX-UHFFFAOYSA-N -1 3 417.219 3.537 20 0 HHADHM COCCN(C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-])[C@H](C)c1ccccc1 ZINC000436957436 981646617 /nfs/dbraw/zinc/64/66/17/981646617.db2.gz URMGOQCNMYGUKP-OAHLLOKOSA-N -1 3 423.469 3.791 20 0 HHADHM O=C(Nc1nnc(C2CCC2)[nH]1)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436958829 981648101 /nfs/dbraw/zinc/64/81/01/981648101.db2.gz DGUVAVPPYYGYCV-UHFFFAOYSA-N -1 3 413.384 3.561 20 0 HHADHM O=C(Nc1nc(C2CCC2)n[nH]1)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436958829 981648105 /nfs/dbraw/zinc/64/81/05/981648105.db2.gz DGUVAVPPYYGYCV-UHFFFAOYSA-N -1 3 413.384 3.561 20 0 HHADHM O=C(c1cc2c(cc1[O-])OCO2)N1CCCCC[C@H]1c1noc(-c2ccccc2)n1 ZINC000436959487 981648640 /nfs/dbraw/zinc/64/86/40/981648640.db2.gz DAGMAJQRARUKLW-INIZCTEOSA-N -1 3 407.426 3.928 20 0 HHADHM COc1cc2c(cc1CNC(=O)Nc1ccc(-c3cc(=O)[n-]c(C)n3)cc1)O[C@H](C)C2 ZINC000448243556 981649949 /nfs/dbraw/zinc/64/99/49/981649949.db2.gz SMOMZRJKEVURPT-CYBMUJFWSA-N -1 3 420.469 3.811 20 0 HHADHM O=C(Nc1cccc(C[S@@](=O)C2CCOCC2)c1)c1ccc2c(c1[O-])CCCC2 ZINC000436962144 981650371 /nfs/dbraw/zinc/65/03/71/981650371.db2.gz BGRNYJUHMBFFRR-GDLZYMKVSA-N -1 3 413.539 3.951 20 0 HHADHM COc1ccccc1[C@@H]1CCCN1C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000436965274 981652844 /nfs/dbraw/zinc/65/28/44/981652844.db2.gz SWGFWQKAYIZBSW-IBGZPJMESA-N -1 3 421.453 3.927 20 0 HHADHM CCCCOc1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3O)CC2)c([O-])c1 ZINC000436970347 981656056 /nfs/dbraw/zinc/65/60/56/981656056.db2.gz DVSQCAQNWRGLEE-UHFFFAOYSA-N -1 3 412.486 3.768 20 0 HHADHM CCCCOc1ccc(C(=O)N2CCC(NC(=O)c3ccccc3C)CC2)c([O-])c1 ZINC000436973320 981658492 /nfs/dbraw/zinc/65/84/92/981658492.db2.gz SWPAFBTXMCVHSY-UHFFFAOYSA-N -1 3 410.514 3.914 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H](c3ccccc3)[C@H]2C)c1 ZINC000436975810 981661310 /nfs/dbraw/zinc/66/13/10/981661310.db2.gz NEMFGIDBSVLKIK-KDOFPFPSSA-N -1 3 405.454 3.959 20 0 HHADHM Cc1csc([C@@H](C)NC(=O)Cc2csc(NC(=O)c3cc(C)ccc3[O-])n2)n1 ZINC000436978606 981662819 /nfs/dbraw/zinc/66/28/19/981662819.db2.gz IOEZWAVBCFKUIG-GFCCVEGCSA-N -1 3 416.528 3.594 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCOc3c(C)cccc32)c1 ZINC000436986242 981668461 /nfs/dbraw/zinc/66/84/61/981668461.db2.gz GUVUVVLMLSWPSG-GOSISDBHSA-N -1 3 407.426 3.503 20 0 HHADHM Cn1ccc([C@@H](NC2CCN(C(=O)c3ccccc3[O-])CC2)c2ccc(Cl)cc2)n1 ZINC000436987148 981669199 /nfs/dbraw/zinc/66/91/99/981669199.db2.gz SQTVKJUWECYSOT-QFIPXVFZSA-N -1 3 424.932 3.763 20 0 HHADHM COc1cccc(-c2nc(Cc3cc(OC)c(OC)cc3Br)no2)c1[O-] ZINC000436998288 981676156 /nfs/dbraw/zinc/67/61/56/981676156.db2.gz ISAPMHIDGYMPSE-UHFFFAOYSA-N -1 3 421.247 3.821 20 0 HHADHM CC(C)(c1ccc(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1)C(F)(F)F ZINC000437001543 981678409 /nfs/dbraw/zinc/67/84/09/981678409.db2.gz PYOOLXXLPKVVNL-UHFFFAOYSA-N -1 3 420.431 3.830 20 0 HHADHM O=C(c1cc2c(cc1[O-])OCO2)N1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000437007148 981681917 /nfs/dbraw/zinc/68/19/17/981681917.db2.gz ZMOXPKRVHJTDRP-CQSZACIVSA-N -1 3 408.223 4.000 20 0 HHADHM CC(C)[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)CCS1 ZINC000437201578 981859521 /nfs/dbraw/zinc/85/95/21/981859521.db2.gz KVJPHIDFBUQWRR-IBGZPJMESA-N -1 3 422.547 3.840 20 0 HHADHM CCc1ccc(CC)c(NC(=O)CS(=O)(=O)[N-]c2ccc(OC(C)C)cc2)c1 ZINC000437376031 982021076 /nfs/dbraw/zinc/02/10/76/982021076.db2.gz QOMHAKVYPYBNJX-UHFFFAOYSA-N -1 3 404.532 3.979 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@@H](C)Cc2cc(C)cc(C)c2)cc1OC ZINC000437853779 982410960 /nfs/dbraw/zinc/41/09/60/982410960.db2.gz XQOJEAXXNMZSFE-INIZCTEOSA-N -1 3 419.547 3.826 20 0 HHADHM COc1cc(Oc2ccccc2)ccc1NC(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000437873016 982425978 /nfs/dbraw/zinc/42/59/78/982425978.db2.gz OUVFMYWSSHLHNC-UHFFFAOYSA-N -1 3 421.453 3.745 20 0 HHADHM CC(C)(CC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)Cc1ccc(Cl)cc1 ZINC000437883552 982434015 /nfs/dbraw/zinc/43/40/15/982434015.db2.gz OJOUJIUPZWVSCP-UHFFFAOYSA-N -1 3 414.933 3.989 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCC=C(C)C3)c2)cc1 ZINC000437981098 982504873 /nfs/dbraw/zinc/50/48/73/982504873.db2.gz BAWUFFGXHCOHSC-UHFFFAOYSA-N -1 3 400.500 3.597 20 0 HHADHM CCc1ncc(S(=O)(=O)[N-][C@@H](C)c2ccc(NC(=O)N(CC)CC)cc2)s1 ZINC000460889719 982628000 /nfs/dbraw/zinc/62/80/00/982628000.db2.gz PBDOYQRMCFDCEW-ZDUSSCGKSA-N -1 3 410.565 3.619 20 0 HHADHM O=S(=O)([N-]Cc1ncc(-c2ccccc2)cn1)c1cc(C(F)(F)F)ccc1F ZINC000460926722 982664478 /nfs/dbraw/zinc/66/44/78/982664478.db2.gz VCNCJVLNSRNQQF-UHFFFAOYSA-N -1 3 411.380 3.780 20 0 HHADHM CCc1ncc(S(=O)(=O)[N-]Cc2ccc(COCc3ccccc3)cc2)s1 ZINC000460959215 982690967 /nfs/dbraw/zinc/69/09/67/982690967.db2.gz CMNPPGKQOROINQ-UHFFFAOYSA-N -1 3 402.541 3.901 20 0 HHADHM O=S(=O)(CCc1ccccc1Br)[N-]c1nccn1-c1ccccc1 ZINC000461104699 982795547 /nfs/dbraw/zinc/79/55/47/982795547.db2.gz ALXWQNBAMFGCPV-UHFFFAOYSA-N -1 3 406.305 3.619 20 0 HHADHM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)Nc2c(C)cccc2Cl)cc1F ZINC000461115727 982808626 /nfs/dbraw/zinc/80/86/26/982808626.db2.gz XWRUPQCZWAQTPK-UHFFFAOYSA-N -1 3 420.915 3.740 20 0 HHADHM CCN1CCN(c2cccc([N-]S(=O)(=O)c3ccc(C(F)(F)F)s3)c2)CC1 ZINC000461118254 982813199 /nfs/dbraw/zinc/81/31/99/982813199.db2.gz HNNRJJJBTLMDGR-UHFFFAOYSA-N -1 3 419.494 3.710 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1C[C@@H](C)C[C@H]1c1cccc(F)c1 ZINC000461308585 983006922 /nfs/dbraw/zinc/00/69/22/983006922.db2.gz NIPJRJKYOZGJOR-BTYIYWSLSA-N -1 3 420.488 3.822 20 0 HHADHM CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000438697232 983009709 /nfs/dbraw/zinc/00/97/09/983009709.db2.gz PKDNNPXQNPRBHP-MSOLQXFVSA-N -1 3 409.530 3.691 20 0 HHADHM CCCCn1ncc([N-]S(=O)(=O)CCc2ccccc2Br)c1C ZINC000461340303 983027504 /nfs/dbraw/zinc/02/75/04/983027504.db2.gz QRMWGCOTOTWCLP-UHFFFAOYSA-N -1 3 400.342 3.739 20 0 HHADHM O=c1c([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)cccn1Cc1ccccc1 ZINC000461339902 983027621 /nfs/dbraw/zinc/02/76/21/983027621.db2.gz GGUJGUVPZAOSEH-UHFFFAOYSA-N -1 3 414.430 3.778 20 0 HHADHM Cc1c([N-]S(=O)(=O)CCc2ccccc2Br)cnn1CCC(C)C ZINC000461341635 983028644 /nfs/dbraw/zinc/02/86/44/983028644.db2.gz LJAMAECTPKUNSR-UHFFFAOYSA-N -1 3 414.369 3.985 20 0 HHADHM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000461355775 983035025 /nfs/dbraw/zinc/03/50/25/983035025.db2.gz UBMPVKOXXBQVQO-NRFANRHFSA-N -1 3 418.541 3.861 20 0 HHADHM Cc1ccc(C(=O)NCC2CC2)cc1[N-]S(=O)(=O)c1ccc(OCC(C)C)cc1 ZINC000438863294 983129101 /nfs/dbraw/zinc/12/91/01/983129101.db2.gz VZAOWSBKNPPZKV-UHFFFAOYSA-N -1 3 416.543 3.970 20 0 HHADHM C[C@@H](c1ccncc1)N1CCC([N-]S(=O)(=O)c2cc(Cl)sc2Cl)CC1 ZINC000438948694 983172952 /nfs/dbraw/zinc/17/29/52/983172952.db2.gz AXPGFADVMFXYAE-NSHDSACASA-N -1 3 420.387 3.954 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccc(C(F)(F)F)c(F)c2)cc1OC ZINC000438962195 983180214 /nfs/dbraw/zinc/18/02/14/983180214.db2.gz CCMUBWOONRFOMB-UHFFFAOYSA-N -1 3 420.384 3.867 20 0 HHADHM O=C(Nc1ccc(F)c(Br)c1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000439060475 983232309 /nfs/dbraw/zinc/23/23/09/983232309.db2.gz PMKGNEDNHDNPNY-HNNXBMFYSA-N -1 3 407.239 3.537 20 0 HHADHM Cn1c2cc([O-])c(NC(=O)CCCCc3nc4ccccc4s3)cc2n(C)c1=O ZINC000461610023 983237604 /nfs/dbraw/zinc/23/76/04/983237604.db2.gz PPFMQOZUGSTGDK-UHFFFAOYSA-N -1 3 410.499 3.544 20 0 HHADHM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000461616509 983241134 /nfs/dbraw/zinc/24/11/34/983241134.db2.gz XHBSVEXRPOIIKS-SNVBAGLBSA-N -1 3 408.285 3.707 20 0 HHADHM Cn1c2cc([O-])c(NC(=O)CCCOc3cccc(Cl)c3Cl)cc2n(C)c1=O ZINC000461615902 983241146 /nfs/dbraw/zinc/24/11/46/983241146.db2.gz VIBIYMIBRCIXQI-UHFFFAOYSA-N -1 3 424.284 3.687 20 0 HHADHM COC(=O)c1cc(C(=O)[N-]c2nc(-c3ccc(Br)cc3)c(C)s2)no1 ZINC000439262479 983336955 /nfs/dbraw/zinc/33/69/55/983336955.db2.gz UUJUTONEHFSTJE-UHFFFAOYSA-N -1 3 422.260 3.908 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCC([C@H]2CCCO2)CC1 ZINC000439893402 983573410 /nfs/dbraw/zinc/57/34/10/983573410.db2.gz KVFGBENJMPWVFF-DHIUTWEWSA-N -1 3 422.525 3.671 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C[C@H](C)c2cccc(OC)c2)cc1OC ZINC000439964199 983597265 /nfs/dbraw/zinc/59/72/65/983597265.db2.gz AIXMAIYYYRFQJB-AWEZNQCLSA-N -1 3 406.504 3.598 20 0 HHADHM CSc1nsc([N-]C(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)n1 ZINC000440078739 983635558 /nfs/dbraw/zinc/63/55/58/983635558.db2.gz OOLUDEYBRIOYMM-UHFFFAOYSA-N -1 3 403.386 3.856 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)N[C@]3(CO)CCCc4ccccc43)cc2)cc(=O)[n-]1 ZINC000440929782 983984121 /nfs/dbraw/zinc/98/41/21/983984121.db2.gz OVKXSBNTDZTWIA-QHCPKHFHSA-N -1 3 404.470 3.503 20 0 HHADHM COC[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)c1ccc(F)c(F)c1 ZINC000462055637 985029349 /nfs/dbraw/zinc/02/93/49/985029349.db2.gz IVVYXURACBIWSH-NSHDSACASA-N -1 3 401.378 3.711 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)Nc3ccc(N4CCNC4=O)cc3C)cc2)cc(=O)[n-]1 ZINC000442577230 985064670 /nfs/dbraw/zinc/06/46/70/985064670.db2.gz DYLDARXDROCQJN-UHFFFAOYSA-N -1 3 418.457 3.640 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H]2CCCN(c3ccccc3)C2)s1 ZINC000462128497 985098761 /nfs/dbraw/zinc/09/87/61/985098761.db2.gz HIZVDSSDBZERHO-ZDUSSCGKSA-N -1 3 415.378 3.766 20 0 HHADHM C[C@H](Cc1ccc(C(F)(F)F)cc1)[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000462143645 985114902 /nfs/dbraw/zinc/11/49/02/985114902.db2.gz XMFKLWVVHWWWEC-SNVBAGLBSA-N -1 3 423.254 3.772 20 0 HHADHM O=S(=O)([N-]CCCc1nc(-c2ccncc2)cs1)c1cc(F)c(F)c(F)c1 ZINC000462161626 985136511 /nfs/dbraw/zinc/13/65/11/985136511.db2.gz DOVLBKBEADJCIG-UHFFFAOYSA-N -1 3 413.446 3.534 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H](C)COc2cccc(C)c2)s1 ZINC000462182195 985161931 /nfs/dbraw/zinc/16/19/31/985161931.db2.gz SLKGIZDUBGMUPR-LLVKDONJSA-N -1 3 404.351 3.873 20 0 HHADHM COc1ccccc1[C@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)c1ccccn1 ZINC000442736075 985194125 /nfs/dbraw/zinc/19/41/25/985194125.db2.gz KHXBBZAAZPDTHC-SFHVURJKSA-N -1 3 423.416 3.572 20 0 HHADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@@H](C)c1ccccc1C(F)(F)F ZINC000442751000 985202254 /nfs/dbraw/zinc/20/22/54/985202254.db2.gz BLFRIALLAFXTQL-JTQLQIEISA-N -1 3 407.435 3.901 20 0 HHADHM O=S(=O)([N-][C@H]1COc2c1ccc(Cl)c2Cl)c1cnccc1C(F)(F)F ZINC000442758849 985206184 /nfs/dbraw/zinc/20/61/84/985206184.db2.gz JVVSXYWJJHYQHI-JTQLQIEISA-N -1 3 413.204 3.819 20 0 HHADHM COc1ccccc1[C@@H](C[N-]S(=O)(=O)c1cnccc1C(F)(F)F)OC(C)C ZINC000442768436 985210272 /nfs/dbraw/zinc/21/02/72/985210272.db2.gz LOZJSLXXKUSVOV-MRXNPFEDSA-N -1 3 418.437 3.554 20 0 HHADHM O=S(=O)([N-]c1cc(F)cc(F)c1Br)c1ccc(C(F)(F)F)nc1 ZINC000442831975 985234723 /nfs/dbraw/zinc/23/47/23/985234723.db2.gz CFTODRFVKSIVGG-UHFFFAOYSA-N -1 3 417.153 3.942 20 0 HHADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2Br)cc1 ZINC000442835440 985236865 /nfs/dbraw/zinc/23/68/65/985236865.db2.gz DVRJJSMXMNRGTE-UHFFFAOYSA-N -1 3 420.231 3.705 20 0 HHADHM CC(C)c1nc([C@@H](C)NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)cs1 ZINC000442859761 985248888 /nfs/dbraw/zinc/24/88/88/985248888.db2.gz KIYRGFSPJPLDBO-LLVKDONJSA-N -1 3 405.948 3.688 20 0 HHADHM O=S(=O)(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CCC[C@H]1c1ccccc1Cl ZINC000442927526 985283629 /nfs/dbraw/zinc/28/36/29/985283629.db2.gz NUSRLHIVJAWMDG-INIZCTEOSA-N -1 3 424.313 3.699 20 0 HHADHM O=S(=O)(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CCC[C@H]1c1ccccc1Cl ZINC000442927526 985283641 /nfs/dbraw/zinc/28/36/41/985283641.db2.gz NUSRLHIVJAWMDG-INIZCTEOSA-N -1 3 424.313 3.699 20 0 HHADHM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2cc(C)c(Br)cc2C)o1 ZINC000462300051 985286099 /nfs/dbraw/zinc/28/60/99/985286099.db2.gz RQCIUPOXGWWXSV-OAHLLOKOSA-N -1 3 416.337 3.887 20 0 HHADHM CC(C)[C@H](c1ccccc1)N(C)S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000442943690 985294128 /nfs/dbraw/zinc/29/41/28/985294128.db2.gz RYNMYNXLJJMQLT-QGZVFWFLSA-N -1 3 405.911 3.538 20 0 HHADHM CC(C)[C@H](c1ccccc1)N(C)S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000442943690 985294136 /nfs/dbraw/zinc/29/41/36/985294136.db2.gz RYNMYNXLJJMQLT-QGZVFWFLSA-N -1 3 405.911 3.538 20 0 HHADHM CN1CCC[C@@H](C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)[C@H]1c1cccs1 ZINC000462310546 985297859 /nfs/dbraw/zinc/29/78/59/985297859.db2.gz CSOOVAWPWXJKFZ-GTNSWQLSSA-N -1 3 404.479 3.527 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H]1CCc2cc(F)ccc21 ZINC000443006788 985331902 /nfs/dbraw/zinc/33/19/02/985331902.db2.gz JOEDLWPPAGOJLP-HNNXBMFYSA-N -1 3 405.472 3.793 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](C)CCc1ccc(OC(C)C)cc1 ZINC000443023947 985341267 /nfs/dbraw/zinc/34/12/67/985341267.db2.gz YWNGTDQEONUHEB-HNNXBMFYSA-N -1 3 423.506 3.699 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]Cc1ccc(OC2CCCCC2)cc1 ZINC000443034958 985347494 /nfs/dbraw/zinc/34/74/94/985347494.db2.gz SXWNTYHMOXXKMQ-UHFFFAOYSA-N -1 3 421.490 3.802 20 0 HHADHM C[C@H]([N-]S(=O)(=O)c1ccc(Br)cn1)c1ncc(-c2ccccc2)o1 ZINC000462364460 985351713 /nfs/dbraw/zinc/35/17/13/985351713.db2.gz WAPGLDWFPLGTGO-NSHDSACASA-N -1 3 408.277 3.539 20 0 HHADHM CC(C)[C@H](C)N1Cc2cccc([N-]S(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)c2C1 ZINC000462366039 985352588 /nfs/dbraw/zinc/35/25/88/985352588.db2.gz OUKMEQBQSSZAJA-HNNXBMFYSA-N -1 3 411.527 3.689 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCCCCF)c2)cc1 ZINC000462372576 985357601 /nfs/dbraw/zinc/35/76/01/985357601.db2.gz YLWLTJAAHRODLV-UHFFFAOYSA-N -1 3 408.495 3.674 20 0 HHADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000443087743 985368593 /nfs/dbraw/zinc/36/85/93/985368593.db2.gz LBGXKFWIWMHSPT-INIZCTEOSA-N -1 3 422.915 3.651 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCc2c1ccc(Cl)c2Cl ZINC000443088230 985368609 /nfs/dbraw/zinc/36/86/09/985368609.db2.gz UJNCTTCUJVQUSV-ZDUSSCGKSA-N -1 3 418.273 3.885 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000443094510 985372228 /nfs/dbraw/zinc/37/22/28/985372228.db2.gz LNPBTWWTJCRCOE-SNVBAGLBSA-N -1 3 421.368 3.550 20 0 HHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](c1ccccc1)c1ccccn1 ZINC000443096989 985373437 /nfs/dbraw/zinc/37/34/37/985373437.db2.gz WWBISMQPAWKSIS-LJQANCHMSA-N -1 3 416.886 3.590 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](C)c1ccc(Cl)cc1Cl ZINC000443102730 985376613 /nfs/dbraw/zinc/37/66/13/985376613.db2.gz PRXZYQGHOZBARC-VIFPVBQESA-N -1 3 406.262 3.959 20 0 HHADHM Cc1cnc([C@H]([N-]S(=O)(=O)c2ccc(F)cc2Br)C2CC2)s1 ZINC000462401509 985379438 /nfs/dbraw/zinc/37/94/38/985379438.db2.gz JGPUJDLXLMQFHF-CYBMUJFWSA-N -1 3 405.314 3.783 20 0 HHADHM O=S(=O)([N-][C@H](c1ccc(Cl)cc1)C1CC1)c1ccc(Br)cn1 ZINC000462449365 985413869 /nfs/dbraw/zinc/41/38/69/985413869.db2.gz VYAQJXLRKVVBJB-HNNXBMFYSA-N -1 3 401.713 3.927 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)N[C@H]3CCCN(C4CCCCC4)C3=O)cc2)cc(=O)[n-]1 ZINC000443161477 985417223 /nfs/dbraw/zinc/41/72/23/985417223.db2.gz KTFOFQUWELBNLT-IBGZPJMESA-N -1 3 423.517 3.603 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@H](c2ccco2)N2CCCC2)s1 ZINC000462470024 985428194 /nfs/dbraw/zinc/42/81/94/985428194.db2.gz CDSWGWLUHVMUDX-ZDUSSCGKSA-N -1 3 419.366 3.527 20 0 HHADHM O=S(=O)([N-][C@H]1CCOc2ccc(Br)cc21)c1cc(F)c(F)c(F)c1 ZINC000462529680 985478496 /nfs/dbraw/zinc/47/84/96/985478496.db2.gz QFNZSAIGANFTEC-ZDUSSCGKSA-N -1 3 422.222 3.669 20 0 HHADHM O=S(=O)([N-]Cc1ccccc1OC1CCCC1)c1ccc(Br)cn1 ZINC000462536644 985484413 /nfs/dbraw/zinc/48/44/13/985484413.db2.gz STZFCOABBPHIGE-UHFFFAOYSA-N -1 3 411.321 3.644 20 0 HHADHM O=S(=O)([N-]Cc1nc2cc(Cl)ccc2s1)c1ccc(Br)cn1 ZINC000462549505 985497408 /nfs/dbraw/zinc/49/74/08/985497408.db2.gz FXILYCKYWYNANF-UHFFFAOYSA-N -1 3 418.725 3.586 20 0 HHADHM COC(=O)c1nscc1S(=O)(=O)[N-]Cc1ccc(C)cc1Oc1ccccc1 ZINC000443374758 985535219 /nfs/dbraw/zinc/53/52/19/985535219.db2.gz MGMBZRRBVBREHH-UHFFFAOYSA-N -1 3 418.496 3.509 20 0 HHADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@H](c1ccc(C(F)(F)F)cc1)C(C)C ZINC000443384414 985543059 /nfs/dbraw/zinc/54/30/59/985543059.db2.gz IRMTZSPHXUZPNF-ZDUSSCGKSA-N -1 3 422.450 3.624 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000467927604 985560836 /nfs/dbraw/zinc/56/08/36/985560836.db2.gz PSTUTPCGMTTYEZ-WDEREUQCSA-N -1 3 400.194 3.992 20 0 HHADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(F)c2)cc1 ZINC000443414853 985571080 /nfs/dbraw/zinc/57/10/80/985571080.db2.gz JNSJTBZBZPQDIZ-UHFFFAOYSA-N -1 3 423.384 3.593 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)[C@H](C)CC(C)C)c2)cc1 ZINC000462634409 985576081 /nfs/dbraw/zinc/57/60/81/985576081.db2.gz YNCIYGNHDZFSDP-MRXNPFEDSA-N -1 3 404.532 3.794 20 0 HHADHM O=C(NCCCCc1nc(-c2cccnc2)cs1)c1cc(=O)c2ccccc2[n-]1 ZINC000443420933 985577746 /nfs/dbraw/zinc/57/77/46/985577746.db2.gz AOVOFJOCUYYLKE-UHFFFAOYSA-N -1 3 404.495 3.799 20 0 HHADHM COc1cc(F)c([N-]S(=O)(=O)c2ccc(Br)c(OC)c2)cc1F ZINC000467946596 985582723 /nfs/dbraw/zinc/58/27/23/985582723.db2.gz AXINCOFUDYODFZ-UHFFFAOYSA-N -1 3 408.220 3.545 20 0 HHADHM COc1ccccc1-c1noc([C@@H](C)[N-]S(=O)(=O)c2ccc3c(c2)CCCC3)n1 ZINC000462667115 985605908 /nfs/dbraw/zinc/60/59/08/985605908.db2.gz PURUQIVCGODVAR-CQSZACIVSA-N -1 3 413.499 3.664 20 0 HHADHM COc1cccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3cccc(C(C)C)c3)n2)c1 ZINC000462675226 985612802 /nfs/dbraw/zinc/61/28/02/985612802.db2.gz JFYCYRJWOOFNLE-AWEZNQCLSA-N -1 3 401.488 3.908 20 0 HHADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1 ZINC000462701406 985644159 /nfs/dbraw/zinc/64/41/59/985644159.db2.gz HXOSRNNQYMUADB-SJKOYZFVSA-N -1 3 413.326 3.607 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]CCc2nc3ccccc3n2C(F)F)c(F)cc1F ZINC000443477962 985652808 /nfs/dbraw/zinc/65/28/08/985652808.db2.gz SDRXKLNCLJEMDF-UHFFFAOYSA-N -1 3 401.385 3.539 20 0 HHADHM O=C(NCc1ncccc1[O-])N[C@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F ZINC000468011901 985664343 /nfs/dbraw/zinc/66/43/43/985664343.db2.gz OHOKRVNFCKBEHS-CYBMUJFWSA-N -1 3 409.286 3.789 20 0 HHADHM CO[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000462718641 985665953 /nfs/dbraw/zinc/66/59/53/985665953.db2.gz KJZHULHDXWKCDJ-NWDGAFQWSA-N -1 3 416.259 3.704 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(N(CC)Cc3ccc(C(=O)N(C)C)cc3)nc2)n1 ZINC000443511967 985682749 /nfs/dbraw/zinc/68/27/49/985682749.db2.gz SAQZIPROBLNINV-UHFFFAOYSA-N -1 3 405.502 3.535 20 0 HHADHM Cc1nc(C2([N-]S(=O)(=O)c3ccc(Br)c(Cl)c3)CCCC2)no1 ZINC000443682850 985894059 /nfs/dbraw/zinc/89/40/59/985894059.db2.gz NABXKVXVFSGXGB-UHFFFAOYSA-N -1 3 420.716 3.542 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc(C)cc2O[C@@H](C)CC(C)C)c(C)o1 ZINC000468246111 985942613 /nfs/dbraw/zinc/94/26/13/985942613.db2.gz UNZXGDWZUGRIPQ-HNNXBMFYSA-N -1 3 422.547 3.548 20 0 HHADHM Cc1noc(C)c1[C@H](C)C[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000443745984 985960098 /nfs/dbraw/zinc/96/00/98/985960098.db2.gz JROMPKHBIHRUTH-MRVPVSSYSA-N -1 3 407.717 3.789 20 0 HHADHM Cc1noc(C2CC2)c1NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000468292362 985990869 /nfs/dbraw/zinc/99/08/69/985990869.db2.gz SXGFGYFHDVMTOS-UHFFFAOYSA-N -1 3 412.471 3.764 20 0 HHADHM CN(CC(=O)Nc1ccccc1Br)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000468389651 986089795 /nfs/dbraw/zinc/08/97/95/986089795.db2.gz KELBGKFFKXXDCE-UHFFFAOYSA-N -1 3 423.282 3.714 20 0 HHADHM C[C@@H](C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)N1CCCCCC1 ZINC000468477716 986172495 /nfs/dbraw/zinc/17/24/95/986172495.db2.gz DYECHOPZSMISTK-KRWDZBQOSA-N -1 3 401.532 3.690 20 0 HHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)NCCCCCO)ccc2C)c(C)c1 ZINC000468483365 986180587 /nfs/dbraw/zinc/18/05/87/986180587.db2.gz KHHBNWNQLCRMLI-UHFFFAOYSA-N -1 3 418.559 3.613 20 0 HHADHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)c2ccccc2C)c1 ZINC000443980537 986185084 /nfs/dbraw/zinc/18/50/84/986185084.db2.gz MYMPIMTUSILMJQ-INIZCTEOSA-N -1 3 419.396 3.893 20 0 HHADHM Cc1c(CN2CCSCC2)cccc1[N-]S(=O)(=O)c1ccc2ncccc2c1 ZINC000444027694 986221972 /nfs/dbraw/zinc/22/19/72/986221972.db2.gz DGJKOZUEOCQCKA-UHFFFAOYSA-N -1 3 413.568 3.893 20 0 HHADHM 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3 410.518 3.677 20 0 HHADHM CCOC(=O)c1nnc(C2CCN(C(=O)C[C@@H]3C[C@H](C)c4c3cccc4C)CC2)[n-]1 ZINC000444758574 986919906 /nfs/dbraw/zinc/91/99/06/986919906.db2.gz YRPLLMJKZLFSGH-RDJZCZTQSA-N -1 3 410.518 3.677 20 0 HHADHM CCOC(=O)c1nc(C2CCN(C(=O)[C@H](c3cccc(Cl)c3)C(C)C)CC2)n[n-]1 ZINC000444761276 986922014 /nfs/dbraw/zinc/92/20/14/986922014.db2.gz WFJIAGQJIKARNU-KRWDZBQOSA-N -1 3 418.925 3.781 20 0 HHADHM CCOC(=O)c1nnc(C2CCN(C(=O)[C@H](c3cccc(Cl)c3)C(C)C)CC2)[n-]1 ZINC000444761276 986922028 /nfs/dbraw/zinc/92/20/28/986922028.db2.gz WFJIAGQJIKARNU-KRWDZBQOSA-N -1 3 418.925 3.781 20 0 HHADHM CC[C@H](c1nnc([N-]C(=O)c2cn(CC(=O)C(C)(C)C)nn2)s1)c1ccccc1 ZINC000469199769 986923961 /nfs/dbraw/zinc/92/39/61/986923961.db2.gz IQDHOLJBEVCUKH-AWEZNQCLSA-N -1 3 412.519 3.539 20 0 HHADHM Cn1c(CCNC(=O)c2cc(Oc3ccccc3)ccc2[O-])nnc1-c1ccccc1 ZINC000444766930 986926517 /nfs/dbraw/zinc/92/65/17/986926517.db2.gz PTNYYKRASPSHPH-UHFFFAOYSA-N -1 3 414.465 3.953 20 0 HHADHM CO[C@@H](CC[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1)C(F)(F)F ZINC000469295064 987011199 /nfs/dbraw/zinc/01/11/99/987011199.db2.gz NTOSMRFDAJXYOB-HNNXBMFYSA-N -1 3 415.861 3.765 20 0 HHADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC)c1nccs1 ZINC000469302519 987017146 /nfs/dbraw/zinc/01/71/46/987017146.db2.gz UBDJRDQMSGAAGN-DGCLKSJQSA-N -1 3 404.941 3.640 20 0 HHADHM COc1cc(N[C@H]2CCCN(C(=O)CCCc3ccc([O-])c(F)c3)C2)cc(OC)c1 ZINC000469326012 987035372 /nfs/dbraw/zinc/03/53/72/987035372.db2.gz QRUVQUBZJUTWFC-KRWDZBQOSA-N -1 3 416.493 3.974 20 0 HHADHM CCOC(=O)c1nc(C2CCN(C(=O)Nc3cccc(SCC)c3)CC2)n[n-]1 ZINC000444895332 987044472 /nfs/dbraw/zinc/04/44/72/987044472.db2.gz JRMGJIXHGFVVPZ-UHFFFAOYSA-N -1 3 403.508 3.505 20 0 HHADHM CCOC(=O)c1nnc(C2CCN(C(=O)Nc3cccc(SCC)c3)CC2)[n-]1 ZINC000444895332 987044482 /nfs/dbraw/zinc/04/44/82/987044482.db2.gz JRMGJIXHGFVVPZ-UHFFFAOYSA-N -1 3 403.508 3.505 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000469383323 987080209 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O=C(CCCC(=O)c1ccc(Br)cc1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000445245294 987304726 /nfs/dbraw/zinc/30/47/26/987304726.db2.gz AXSXBTGBEQDPIT-UHFFFAOYSA-N -1 3 414.263 3.621 20 0 HHADHM O=C(CCCC(=O)c1ccc(Br)cc1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000445245294 987304733 /nfs/dbraw/zinc/30/47/33/987304733.db2.gz AXSXBTGBEQDPIT-UHFFFAOYSA-N -1 3 414.263 3.621 20 0 HHADHM COCCOc1cnc(-c2noc(-c3cc(OCc4ccccc4)ccc3[O-])n2)cn1 ZINC000445296081 987351280 /nfs/dbraw/zinc/35/12/80/987351280.db2.gz IMADZUZOTCFDFQ-UHFFFAOYSA-N -1 3 420.425 3.503 20 0 HHADHM CC[C@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)C(F)(F)F ZINC000469923760 987551614 /nfs/dbraw/zinc/55/16/14/987551614.db2.gz BPSZONLEKDSDDX-HNNXBMFYSA-N -1 3 404.385 3.697 20 0 HHADHM CC(C)(C)N1CC[C@H]([N-]S(=O)(=O)c2ccco2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000445717368 987782045 /nfs/dbraw/zinc/78/20/45/987782045.db2.gz CUIANVMFJUXRQS-DOTOQJQBSA-N -1 3 400.903 3.965 20 0 HHADHM COc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)c(C)n1 ZINC000470229438 988163054 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HHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H](C)c1nnc2n1CCCCC2 ZINC000470606704 988625944 /nfs/dbraw/zinc/62/59/44/988625944.db2.gz NZTDFORIZUXIOX-GFCCVEGCSA-N -1 3 408.911 3.752 20 0 HHADHM CC[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)C1CCOCC1 ZINC000470672538 988695028 /nfs/dbraw/zinc/69/50/28/988695028.db2.gz LVJZJPWGJSIQRK-LJQANCHMSA-N -1 3 420.506 3.562 20 0 HHADHM CC(C)Oc1ccc(-c2cccc([C@H](C)N(C)C(=O)c3[nH]c(=O)[n-]c(=O)c3N)c2)cc1 ZINC000470879609 988949234 /nfs/dbraw/zinc/94/92/34/988949234.db2.gz JSNZJHQFUBOZEF-AWEZNQCLSA-N -1 3 422.485 3.757 20 0 HHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc2cccc(Br)c2n1 ZINC000465076618 989396158 /nfs/dbraw/zinc/39/61/58/989396158.db2.gz XRPSDWDBLVOMOQ-UHFFFAOYSA-N -1 3 405.277 3.776 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cc(C(F)(F)F)ccc2F)cc1OC ZINC000471375812 989551909 /nfs/dbraw/zinc/55/19/09/989551909.db2.gz HVEQTSUTHUXXMY-UHFFFAOYSA-N -1 3 420.384 3.867 20 0 HHADHM CO[C@]1(C)C[C@H](NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)C1(C)C ZINC000465270974 989627386 /nfs/dbraw/zinc/62/73/86/989627386.db2.gz UUHYMBFZWNPWIB-GHTZIAJQSA-N -1 3 420.506 3.560 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@@H](c1cccc(F)c1)C1CCCC1 ZINC000465279225 989636533 /nfs/dbraw/zinc/63/65/33/989636533.db2.gz YBVKDXIGBMHSLS-JOCHJYFZSA-N -1 3 420.488 3.870 20 0 HHADHM O=C(NCc1ncccc1[O-])N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000471605884 989810643 /nfs/dbraw/zinc/81/06/43/989810643.db2.gz LAOMHPIKTXAVIK-LJQANCHMSA-N -1 3 405.433 3.517 20 0 HHADHM Cc1cccc(NC(=O)Nc2cccc(CNC(=O)NCc3ncccc3[O-])c2)c1 ZINC000471682905 989886624 /nfs/dbraw/zinc/88/66/24/989886624.db2.gz NSLJXCACIZLSCR-UHFFFAOYSA-N -1 3 405.458 3.739 20 0 HHADHM CCC(O)(CC)CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C ZINC000471694341 989897709 /nfs/dbraw/zinc/89/77/09/989897709.db2.gz SWZJDDDAAUPVRZ-UHFFFAOYSA-N -1 3 418.559 3.775 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccc(N3CCCCC3)cc2)cc1OC ZINC000471780709 989970016 /nfs/dbraw/zinc/97/00/16/989970016.db2.gz MNEIBZQVXFXYTK-UHFFFAOYSA-N -1 3 417.531 3.699 20 0 HHADHM COCCOc1ccc(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)c(Cl)c1 ZINC000471783800 989972977 /nfs/dbraw/zinc/97/29/77/989972977.db2.gz YKDQYYFGODSDHW-UHFFFAOYSA-N -1 3 413.861 3.676 20 0 HHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000471795358 989980587 /nfs/dbraw/zinc/98/05/87/989980587.db2.gz ZWSODTJUKGWRNL-ZDUSSCGKSA-N -1 3 400.435 3.501 20 0 HHADHM CCc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3cccc4cnccc43)n2)cc1 ZINC000471869186 990041546 /nfs/dbraw/zinc/04/15/46/990041546.db2.gz JCSRHQQKCXSNDM-AWEZNQCLSA-N -1 3 408.483 3.887 20 0 HHADHM O=C(Cc1csc2ccc(Br)cc12)Nc1nnc(C(F)(F)F)[n-]1 ZINC000471869175 990041616 /nfs/dbraw/zinc/04/16/16/990041616.db2.gz IZDSHURAHROWTF-UHFFFAOYSA-N -1 3 405.199 3.982 20 0 HHADHM O=C(Cc1csc2ccc(Br)cc12)Nc1nc(C(F)(F)F)n[n-]1 ZINC000471869175 990041621 /nfs/dbraw/zinc/04/16/21/990041621.db2.gz IZDSHURAHROWTF-UHFFFAOYSA-N -1 3 405.199 3.982 20 0 HHADHM COc1ccc(O[C@@H](C)CNC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)cc1 ZINC000466216519 991428485 /nfs/dbraw/zinc/42/84/85/991428485.db2.gz HYIXIDCQDWQARH-AWEZNQCLSA-N -1 3 408.458 3.755 20 0 HHADHM CCOCCOCc1cccc([N-]S(=O)(=O)c2cc(C)c(OC)cc2C)c1C ZINC000467079434 992386179 /nfs/dbraw/zinc/38/61/79/992386179.db2.gz NNCUXKHARJJKPH-UHFFFAOYSA-N -1 3 407.532 3.974 20 0 HHADHM O=S(=O)([N-][C@@H]1CCN(c2ncccc2Cl)C1)c1c(Cl)cccc1Cl ZINC000467124311 992439703 /nfs/dbraw/zinc/43/97/03/992439703.db2.gz GLJFVQYZYAWYKX-SNVBAGLBSA-N -1 3 406.722 3.599 20 0 HHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CCCC[C@@H](CCOC)C3)nc(=O)c2c1C ZINC000467271454 992592784 /nfs/dbraw/zinc/59/27/84/992592784.db2.gz OBCSNFHDHONRGH-GJZGRUSLSA-N -1 3 421.563 3.669 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)NC[C@]1(C)CCCS1 ZINC000467328001 992649543 /nfs/dbraw/zinc/64/95/43/992649543.db2.gz QFKQOXDCSMPVPD-FQEVSTJZSA-N -1 3 422.547 3.950 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3[C@@H](C)CC[C@@H]3C)ccc2C)cc1 ZINC000467501792 992785622 /nfs/dbraw/zinc/78/56/22/992785622.db2.gz KVIXZTBKMIFTDV-HOTGVXAUSA-N -1 3 402.516 3.817 20 0 HHADHM O=S(=O)([N-][C@H]1CCCC[C@@H]1n1cccn1)c1cc(Br)ccc1Cl ZINC000467782362 993019788 /nfs/dbraw/zinc/01/97/88/993019788.db2.gz CUWHJYQDCMWFGK-KBPBESRZSA-N -1 3 418.744 3.761 20 0 HHADHM O=S(=O)([N-]Cc1ncoc1-c1ccccc1)c1cc(C(F)(F)F)ccc1F ZINC000472314532 993326224 /nfs/dbraw/zinc/32/62/24/993326224.db2.gz SCVGHRABEKYRLS-UHFFFAOYSA-N -1 3 400.353 3.978 20 0 HHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1nnc(-c2ccccc2)s1 ZINC000472334408 993342977 /nfs/dbraw/zinc/34/29/77/993342977.db2.gz IILPOSYZNKGOAP-UHFFFAOYSA-N -1 3 403.460 3.877 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC000472391547 993386438 /nfs/dbraw/zinc/38/64/38/993386438.db2.gz XOOZRXWCJKARGG-RXVVDRJESA-N -1 3 416.525 3.553 20 0 HHADHM COc1ccc(OC)c([C@H]2C[C@H]2C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)c1 ZINC000472456123 993458548 /nfs/dbraw/zinc/45/85/48/993458548.db2.gz RAZGDNHIWJFDAB-IEBWSBKVSA-N -1 3 405.454 3.505 20 0 HHADHM O=S(=O)([N-][C@H]1CCCc2c(O)cccc21)c1ccc(Br)cc1F ZINC000480851282 993724079 /nfs/dbraw/zinc/72/40/79/993724079.db2.gz JMIMXHGGMFXBDC-AWEZNQCLSA-N -1 3 400.269 3.650 20 0 HHADHM Cc1c(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)cccc1C(F)(F)F ZINC000472803953 993740622 /nfs/dbraw/zinc/74/06/22/993740622.db2.gz COKQOAFLHJEPNM-UHFFFAOYSA-N -1 3 412.842 3.646 20 0 HHADHM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C(C)C)cc1)c1ccc(OC)c(Cl)c1 ZINC000472929870 993857468 /nfs/dbraw/zinc/85/74/68/993857468.db2.gz ITOIONMSMIRDIU-SFHVURJKSA-N -1 3 411.907 3.665 20 0 HHADHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(CC(F)(F)F)cc1)c1nc(C2CC2)no1 ZINC000481027550 993871488 /nfs/dbraw/zinc/87/14/88/993871488.db2.gz VXHUGHXGONYUIQ-CQSZACIVSA-N -1 3 403.426 3.727 20 0 HHADHM O=C(NCc1ncccc1[O-])C(=O)Nc1cccc(Sc2ccc(Cl)cc2)c1 ZINC000473056043 993975997 /nfs/dbraw/zinc/97/59/97/993975997.db2.gz FDOHKKBAQUCEHN-UHFFFAOYSA-N -1 3 413.886 3.847 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCC3(C(F)F)CC3)ccc2C)cc1 ZINC000473280181 994129231 /nfs/dbraw/zinc/12/92/31/994129231.db2.gz YYUSKISSQDQMBO-UHFFFAOYSA-N -1 3 424.469 3.580 20 0 HHADHM CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)N2CC3(CCC3)c3ccccc32)cc1 ZINC000481466977 994301617 /nfs/dbraw/zinc/30/16/17/994301617.db2.gz SRSJMVBCJZKQHG-UHFFFAOYSA-N -1 3 414.527 3.684 20 0 HHADHM O=c1[n-]c(CN2CCC(O)(Cc3ccc(F)cc3)CC2)nc2c3ccccc3oc21 ZINC000481605022 994455376 /nfs/dbraw/zinc/45/53/76/994455376.db2.gz DKLYKKRFCHQQPZ-UHFFFAOYSA-N -1 3 407.445 3.790 20 0 HHADHM Cc1nc(CCC(=O)NCc2ncccc2[O-])oc1-c1ccc(Br)cc1 ZINC000473632245 994512825 /nfs/dbraw/zinc/51/28/25/994512825.db2.gz XWUNZEFRWANXRD-UHFFFAOYSA-N -1 3 416.275 3.762 20 0 HHADHM O=C(NCc1ncccc1[O-])[C@@H]1CCC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000473638930 994520227 /nfs/dbraw/zinc/52/02/27/994520227.db2.gz GTTXZMCPGDQXTF-HYBUGGRVSA-N -1 3 415.493 3.584 20 0 HHADHM CCOC(=O)CSc1nnc([N-]C(=O)c2ccc(-c3ccccc3F)o2)s1 ZINC000481770734 994621783 /nfs/dbraw/zinc/62/17/83/994621783.db2.gz OVDPMTJBGSAUHI-UHFFFAOYSA-N -1 3 407.448 3.845 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)c(Br)c1 ZINC000481855936 994712873 /nfs/dbraw/zinc/71/28/73/994712873.db2.gz FQYFFHODOOSHAE-UHFFFAOYSA-N -1 3 412.092 3.960 20 0 HHADHM Cc1cc2c(cc1S(=O)(=O)[N-]c1cc(F)cc(Br)c1F)OCO2 ZINC000481865235 994725979 /nfs/dbraw/zinc/72/59/79/994725979.db2.gz UZALGPYORNESIV-UHFFFAOYSA-N -1 3 406.204 3.565 20 0 HHADHM Cc1ccsc1-c1nc(=NC(=O)NC2CCN(Cc3ccccc3)CC2)s[n-]1 ZINC000473829147 994759951 /nfs/dbraw/zinc/75/99/51/994759951.db2.gz MVTMUWJXMZZDLY-UHFFFAOYSA-N -1 3 413.572 3.783 20 0 HHADHM Cc1nc(CSc2ccccc2C(=O)NCc2nc(C(F)(F)F)n[n-]2)cs1 ZINC000481904426 994776219 /nfs/dbraw/zinc/77/62/19/994776219.db2.gz KNDAQJNBZDIOTM-UHFFFAOYSA-N -1 3 413.450 3.811 20 0 HHADHM O=C(CCCSc1ccc(Br)cc1)NCc1nc(C(F)(F)F)n[n-]1 ZINC000481911715 994784065 /nfs/dbraw/zinc/78/40/65/994784065.db2.gz ZEUSKMOLEDGBSI-UHFFFAOYSA-N -1 3 423.258 3.775 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]CC2CCN(C(=O)c3ccccc3)CC2)sc1Cl ZINC000473859522 994797185 /nfs/dbraw/zinc/79/71/85/994797185.db2.gz OKLKJWPBBROKKJ-UHFFFAOYSA-N -1 3 412.964 3.541 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]Cc2cc3c(cc2OC(F)F)OCO3)sc1Cl ZINC000473862037 994799509 /nfs/dbraw/zinc/79/95/09/994799509.db2.gz YQYDBBSIBFBKDG-UHFFFAOYSA-N -1 3 411.835 3.519 20 0 HHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cccc(CN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000473877978 994824033 /nfs/dbraw/zinc/82/40/33/994824033.db2.gz OPXHCJAAXZYJNH-GJZGRUSLSA-N -1 3 412.534 3.650 20 0 HHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(NC[C@H]2CCCO2)c(F)c1 ZINC000473888980 994839228 /nfs/dbraw/zinc/83/92/28/994839228.db2.gz UTBMCRYLGKFPGU-CQSZACIVSA-N -1 3 402.470 3.770 20 0 HHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCCCC(C)(C)CO)c2)cc1 ZINC000473890321 994841665 /nfs/dbraw/zinc/84/16/65/994841665.db2.gz CQCHIZZNRBNDSS-UHFFFAOYSA-N -1 3 418.559 3.633 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]Cc2cccnc2OCC(F)(F)F)sc1Cl ZINC000473914573 994881256 /nfs/dbraw/zinc/88/12/56/994881256.db2.gz YZIDMDFUSYLNOK-UHFFFAOYSA-N -1 3 400.831 3.525 20 0 HHADHM Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000473934536 994908086 /nfs/dbraw/zinc/90/80/86/994908086.db2.gz YBNHZDAGXLURNO-UHFFFAOYSA-N -1 3 418.404 3.980 20 0 HHADHM Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000473934536 994908096 /nfs/dbraw/zinc/90/80/96/994908096.db2.gz YBNHZDAGXLURNO-UHFFFAOYSA-N -1 3 418.404 3.980 20 0 HHADHM Cc1cc(Br)ccc1SCC(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000473941356 994916663 /nfs/dbraw/zinc/91/66/63/994916663.db2.gz OOGOUKVSDIJATF-UHFFFAOYSA-N -1 3 418.320 3.592 20 0 HHADHM Cc1cc(Br)ccc1SCC(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000473941356 994916673 /nfs/dbraw/zinc/91/66/73/994916673.db2.gz OOGOUKVSDIJATF-UHFFFAOYSA-N -1 3 418.320 3.592 20 0 HHADHM Cc1cn(C2CCCCC2)[nH]c1=NC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482112770 995060221 /nfs/dbraw/zinc/06/02/21/995060221.db2.gz IOQAGEARCZREFU-UHFFFAOYSA-N -1 3 417.311 3.595 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C[C@@H]3CCC(=O)[C@H]3C)cc2)cc1 ZINC000474091062 995073767 /nfs/dbraw/zinc/07/37/67/995073767.db2.gz ZTPZVMLHBBKXSG-HOTGVXAUSA-N -1 3 400.500 3.740 20 0 HHADHM Cc1nc2cc(F)cc(C(=O)[N-]c3ncn(Cc4ccc(Cl)cc4)n3)c2nc1C ZINC000482177080 995141142 /nfs/dbraw/zinc/14/11/42/995141142.db2.gz KOZBDPZYJPNEEK-UHFFFAOYSA-N -1 3 410.840 3.931 20 0 HHADHM CC(C)n1c2ccc(C(=O)NCc3nc(C(F)(F)F)n[n-]3)cc2nc1C(F)(F)F ZINC000482214012 995198552 /nfs/dbraw/zinc/19/85/52/995198552.db2.gz PLCCDSFGNLWAJN-UHFFFAOYSA-N -1 3 420.317 3.703 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)[C@H](Oc1ccc(Cl)cc1)c1ccccc1 ZINC000482227186 995211379 /nfs/dbraw/zinc/21/13/79/995211379.db2.gz BZGKSONLWNVQGA-OAHLLOKOSA-N -1 3 410.783 3.913 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1cccnc1SCc1ccc(F)cc1 ZINC000482231970 995215086 /nfs/dbraw/zinc/21/50/86/995215086.db2.gz YFAXGXBUMPWBCT-UHFFFAOYSA-N -1 3 411.384 3.580 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)[C@@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000482242412 995224106 /nfs/dbraw/zinc/22/41/06/995224106.db2.gz MXWFZEQTRBDUSZ-IAGOWNOFSA-N -1 3 416.403 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403.280 3.982 20 0 HHADHM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(F)cc(Br)c2F)c1 ZINC000486559740 998825605 /nfs/dbraw/zinc/82/56/05/998825605.db2.gz ASJZIOGIFAKWEG-UHFFFAOYSA-N -1 3 420.231 3.623 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cc(F)cc(Br)c2F)c(C)c1F ZINC000486564004 998828452 /nfs/dbraw/zinc/82/84/52/998828452.db2.gz POUYLBCIJXYUTD-UHFFFAOYSA-N -1 3 410.211 3.984 20 0 HHADHM CN1CCc2ccc(S(=O)(=O)[N-]c3cc(F)cc(Br)c3F)cc21 ZINC000486574846 998835769 /nfs/dbraw/zinc/83/57/69/998835769.db2.gz MEYXGDJLIJKQJK-UHFFFAOYSA-N -1 3 403.248 3.520 20 0 HHADHM COCCN(CCc1ccccc1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000486644236 998872754 /nfs/dbraw/zinc/87/27/54/998872754.db2.gz GBFRGGQCAXOKGP-UHFFFAOYSA-N -1 3 407.308 3.555 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCCN(c2ccccc2)CC1 ZINC000486649463 998875515 /nfs/dbraw/zinc/87/55/15/998875515.db2.gz HGVKBDOSFWPGJC-UHFFFAOYSA-N -1 3 404.308 3.577 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2ccc(OC(C)(C)C)nc2)s1 ZINC000486656129 998878998 /nfs/dbraw/zinc/87/89/98/998878998.db2.gz JGLOOOCPPBRFRZ-UHFFFAOYSA-N -1 3 419.366 3.870 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N(Cc1ccccc1F)CC(C)C ZINC000486774253 998934662 /nfs/dbraw/zinc/93/46/62/998934662.db2.gz QCNVQUHSDATRGT-UHFFFAOYSA-N -1 3 422.504 3.897 20 0 HHADHM COc1cc2c(cc1F)[n-]cc(C(=O)Nc1cccc(C)c1Br)c2=O ZINC000487180861 999089630 /nfs/dbraw/zinc/08/96/30/999089630.db2.gz JHOQQXVNCFYFLF-UHFFFAOYSA-N -1 3 405.223 3.999 20 0 HHADHM COC(=O)c1cc(F)cc([N-]S(=O)(=O)c2ccc(C)c(Br)c2)c1F ZINC000478694684 999092493 /nfs/dbraw/zinc/09/24/93/999092493.db2.gz AEPOJIIDRQDHPG-UHFFFAOYSA-N -1 3 420.231 3.623 20 0 HHADHM Cc1[n-]c(S(=O)(=O)CCCc2nc(-c3ccccc3)no2)nc1-c1ccccc1 ZINC000478762289 999128114 /nfs/dbraw/zinc/12/81/14/999128114.db2.gz OMVCAWUENDSSLE-UHFFFAOYSA-N -1 3 408.483 3.842 20 0 HHADHM Cc1nc(S(=O)(=O)CCCc2nc(-c3ccccc3)no2)[n-]c1-c1ccccc1 ZINC000478762289 999128117 /nfs/dbraw/zinc/12/81/17/999128117.db2.gz OMVCAWUENDSSLE-UHFFFAOYSA-N -1 3 408.483 3.842 20 0 HHADHM O=C([N-]c1nnc(-c2c(F)cccc2Cl)s1)c1cn(Cc2cccs2)nn1 ZINC000478786735 999140323 /nfs/dbraw/zinc/14/03/23/999140323.db2.gz XSXWEAUCLSRWSZ-UHFFFAOYSA-N -1 3 420.882 3.951 20 0 HHADHM Cc1ccccc1[C@H](C(C)C)N(C)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000487744571 999274464 /nfs/dbraw/zinc/27/44/64/999274464.db2.gz UEJDNBTZVFDBGO-SFHVURJKSA-N -1 3 414.980 3.844 20 0 HHADHM CCc1cccc(NC(=O)C(=O)NCc2ccc([O-])c(Br)c2)c1CC ZINC000487760701 999280231 /nfs/dbraw/zinc/28/02/31/999280231.db2.gz HOSDBQAUFKDJTI-UHFFFAOYSA-N -1 3 405.292 3.534 20 0 HHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@H](C)Cc3ccncc3)c2)cc1 ZINC000487875454 999301230 /nfs/dbraw/zinc/30/12/30/999301230.db2.gz LHWPHJUDCHQGJZ-GOSISDBHSA-N -1 3 423.538 3.860 20 0 HHADHM Cc1cc2c(cc1S(=O)(=O)[N-]c1cc(Br)c(F)cc1C)OCO2 ZINC000479233405 999336589 /nfs/dbraw/zinc/33/65/89/999336589.db2.gz DGWDTFQNHYWVLK-UHFFFAOYSA-N -1 3 402.241 3.735 20 0 HHADHM C[C@@H](c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1)N1CCOCC1 ZINC000479244970 999343586 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409.895 3.741 20 0 HHADHM COc1c(C)cc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3CC2CC2)cc1C ZINC000479572756 999484711 /nfs/dbraw/zinc/48/47/11/999484711.db2.gz HJCBPJACWHMQCV-UHFFFAOYSA-N -1 3 414.527 3.802 20 0 HHADHM CC(C)N1CC[C@@H](NC(=O)NCc2ccc([O-])c(F)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000488558091 999527269 /nfs/dbraw/zinc/52/72/69/999527269.db2.gz LPEGWWSAGNVADE-UYAOXDASSA-N -1 3 407.436 3.833 20 0 HHADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2nnc(N3CCC[C@H](C)C3)n2Cc2ccco2)n1 ZINC000488598156 999540946 /nfs/dbraw/zinc/54/09/46/999540946.db2.gz GLCJUQJOPNCXPC-DZGCQCFKSA-N -1 3 414.535 3.813 20 0 HHADHM COC(=O)c1cnc(SCc2ccc(I)cc2Cl)[n-]1 ZINC000479711667 999550548 /nfs/dbraw/zinc/55/05/48/999550548.db2.gz IQZUSBXRKRWOJR-UHFFFAOYSA-N -1 3 408.648 3.747 20 0 HHADHM Cc1nn(C)c2nc(C3CC3)cc(C(=O)NCc3ccc([O-])c(Br)c3)c12 ZINC000488657470 999561594 /nfs/dbraw/zinc/56/15/94/999561594.db2.gz MLMHYCKNIGBYIC-UHFFFAOYSA-N -1 3 415.291 3.552 20 0 HHADHM O=S(=O)([N-]Cc1cc(-c2ccccc2)on1)c1ccc(F)cc1C(F)(F)F 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ZINC000489105630 999700691 /nfs/dbraw/zinc/70/06/91/999700691.db2.gz UKMNWLFFZMNTTD-CYBMUJFWSA-N -1 3 418.412 3.529 20 0 HHADHM O=S(=O)([N-]Cc1cccc2cccnc21)c1cccc(OC(F)(F)F)c1F ZINC000489238656 999728486 /nfs/dbraw/zinc/72/84/86/999728486.db2.gz VZQZMFNPFATBDX-UHFFFAOYSA-N -1 3 400.353 3.751 20 0 HHADHM Cc1cc(F)c(Br)cc1S(=O)(=O)[N-]c1ccc2c(c1)CCC(=O)N2 ZINC000480189386 999740297 /nfs/dbraw/zinc/74/02/97/999740297.db2.gz ISSFFDQXBNBTIS-UHFFFAOYSA-N -1 3 413.268 3.582 20 0 HHADHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)c(F)cc1F ZINC000480244145 999754954 /nfs/dbraw/zinc/75/49/54/999754954.db2.gz WYYRDOJMGUDJRR-UHFFFAOYSA-N -1 3 409.332 3.657 20 0 HHADHM Cc1ccc(CN2CCCC2)cc1[N-]S(=O)(=O)c1cnn(Cc2ccccc2)c1 ZINC000489493341 999777804 /nfs/dbraw/zinc/77/78/04/999777804.db2.gz FBKIIOSJDOWZQP-UHFFFAOYSA-N -1 3 410.543 3.636 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NCC(C)(C)c2ccc(F)cc2)cc1OC ZINC000489534821 999786655 /nfs/dbraw/zinc/78/66/55/999786655.db2.gz DJFKGERRCINPEB-UHFFFAOYSA-N -1 3 423.510 3.695 20 0 HHADHM CN(C(=O)c1cc(=O)c2ccccc2[n-]1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000480426022 999796070 /nfs/dbraw/zinc/79/60/70/999796070.db2.gz LJCDJMHMDDMUJO-RBUKOAKNSA-N -1 3 403.265 3.565 20 0 HHADHM Cc1cnc([C@@H]([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)C2CC2)s1 ZINC000489596053 999799636 /nfs/dbraw/zinc/79/96/36/999799636.db2.gz BJCNRMQQSAXJRZ-ZDUSSCGKSA-N -1 3 410.414 3.919 20 0 HHADHM COCC[C@H]([N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)c1ccc(C)o1 ZINC000489700613 999820210 /nfs/dbraw/zinc/82/02/10/999820210.db2.gz NSEWYLSYGNHMDA-NSHDSACASA-N -1 3 411.373 3.682 20 0 HHADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CCC(OCCc2ccccc2)CC1 ZINC000489733170 999827282 /nfs/dbraw/zinc/82/72/82/999827282.db2.gz JMQBRBZBRRHUCI-UHFFFAOYSA-N -1 3 412.436 3.670 20 0 HHADHM COc1cc(C(=O)N(Cc2ccc(OC(F)F)c(OC)c2)C2CC2)cc(OC)c1[O-] ZINC000480581351 999831983 /nfs/dbraw/zinc/83/19/83/999831983.db2.gz LLMBPYJUZVXERH-UHFFFAOYSA-N -1 3 423.412 3.824 20 0 HHADHM 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/nfs/dbraw/zinc/95/56/05/999955605.db2.gz YJSVEEXWDMCZCZ-LLVKDONJSA-N -1 3 419.341 3.515 20 0 HHADHM Cc1nc(S(=O)(=O)[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)[n-]c1-c1ccccc1 ZINC000490452751 999959775 /nfs/dbraw/zinc/95/97/75/999959775.db2.gz RFKYOYWZABRHFY-GDBMZVCRSA-N -1 3 409.511 3.525 20 0 HHADHM CCC[C@H](NC(=O)CS(=O)(=O)c1nc(C)c(-c2ccccc2)[n-]1)c1ccccc1 ZINC000490453562 999959951 /nfs/dbraw/zinc/95/99/51/999959951.db2.gz NQDCKVWYBDPYLN-IBGZPJMESA-N -1 3 411.527 3.816 20 0 HHADHM CCC[C@H](NC(=O)CS(=O)(=O)c1nc(-c2ccccc2)c(C)[n-]1)c1ccccc1 ZINC000490453562 999959952 /nfs/dbraw/zinc/95/99/52/999959952.db2.gz NQDCKVWYBDPYLN-IBGZPJMESA-N -1 3 411.527 3.816 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCc3ccc(-c4ccccc4)cc32)c(C)o1 ZINC000490462053 999961329 /nfs/dbraw/zinc/96/13/29/999961329.db2.gz XQHARCVYUCNFDR-FQEVSTJZSA-N -1 3 410.495 3.580 20 0 HHADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)[C@@H]2OCCc3sccc32)sc1Br ZINC000490501851 999968053 /nfs/dbraw/zinc/96/80/53/999968053.db2.gz 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ZINC000614853045 1071770750 /nfs/dbraw/zinc/77/07/50/1071770750.db2.gz LRTHYLMIWBOVLB-UHFFFAOYSA-N -1 3 416.478 3.797 20 0 HHADHM C[C@H]1C(=O)CC[C@H](C(=O)Nc2cc(I)ccc2[O-])C1(C)C ZINC000614860304 1071783888 /nfs/dbraw/zinc/78/38/88/1071783888.db2.gz HDNNEOUKFPSAQV-GXSJLCMTSA-N -1 3 401.244 3.577 20 0 HHADHM C[C@H]1[C@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)CCN1Cc1ccccc1 ZINC001212064268 1071941987 /nfs/dbraw/zinc/94/19/87/1071941987.db2.gz MURFUPOJLFNEAA-WCQYABFASA-N -1 3 405.372 3.996 20 0 HHADHM CC(C)Cc1ccc([C@H](C[N-]S(=O)(=O)c2cnc(Cl)c(F)c2)N(C)C)cc1 ZINC001212067823 1071947876 /nfs/dbraw/zinc/94/78/76/1071947876.db2.gz ZNLXYAKXSNSMRF-SFHVURJKSA-N -1 3 413.946 3.654 20 0 HHADHM CC(C)(C)OC(=O)NC1(c2noc(-c3ccc(C(=O)OCc4ccccc4)[n-]3)n2)CC1 ZINC000904987374 1071960150 /nfs/dbraw/zinc/96/01/50/1071960150.db2.gz HAXVCSVPCYXXDI-UHFFFAOYSA-N -1 3 424.457 3.936 20 0 HHADHM O=S(=O)([N-]CCc1ccc(Cl)nc1)c1cc(Br)ccc1Cl ZINC000760605706 1072018892 /nfs/dbraw/zinc/01/88/92/1072018892.db2.gz AUGBKBYXXAYYFJ-UHFFFAOYSA-N -1 3 410.120 3.672 20 0 HHADHM O=S(=O)([N-][C@@H]1CCO[C@@H](c2cccs2)C1)c1ccc(Br)s1 ZINC001212088469 1072073715 /nfs/dbraw/zinc/07/37/15/1072073715.db2.gz SLOCVVJKSCSKMC-NXEZZACHSA-N -1 3 408.364 3.771 20 0 HHADHM N[C@@H](CCc1cc(=O)oc2cc([O-])ccc12)c1nc(-c2ccc(Cl)c(F)c2)no1 ZINC001212097630 1072074520 /nfs/dbraw/zinc/07/45/20/1072074520.db2.gz BDDZRSLLIXJWSI-INIZCTEOSA-N -1 3 415.808 3.974 20 0 HHADHM CCOc1ccc(-c2noc([C@@H](N)CCc3cc(=O)oc4cc([O-])ccc34)n2)cc1 ZINC001212097967 1072076007 /nfs/dbraw/zinc/07/60/07/1072076007.db2.gz RTINHUNVLAISJV-SFHVURJKSA-N -1 3 407.426 3.580 20 0 HHADHM COc1ccc(CC[N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)cc1OC ZINC000615130758 1072180602 /nfs/dbraw/zinc/18/06/02/1072180602.db2.gz GALCTBADRHCSMN-UHFFFAOYSA-N -1 3 404.315 3.840 20 0 HHADHM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-][C@@H](c1ccc(C(C)C)cc1)C(C)C ZINC000912528019 1072245883 /nfs/dbraw/zinc/24/58/83/1072245883.db2.gz LWDHOHHDHXSEAX-GOSISDBHSA-N -1 3 407.536 3.694 20 0 HHADHM C[C@@H](CC(=O)N[C@@H](c1ccccc1)C(C)(C)C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000760399174 1072322565 /nfs/dbraw/zinc/32/25/65/1072322565.db2.gz XPOQZFAGVCFFBB-KSSFIOAISA-N -1 3 423.966 3.696 20 0 HHADHM COc1cc(Br)c(COC(=O)c2cc(-c3ccco3)[n-]n2)cc1OC ZINC000913298387 1072360420 /nfs/dbraw/zinc/36/04/20/1072360420.db2.gz JDIYAPGAEQPBFH-UHFFFAOYSA-N -1 3 407.220 3.806 20 0 HHADHM COc1cc(Br)c(COC(=O)c2cc(-c3ccco3)n[n-]2)cc1OC ZINC000913298387 1072360429 /nfs/dbraw/zinc/36/04/29/1072360429.db2.gz JDIYAPGAEQPBFH-UHFFFAOYSA-N -1 3 407.220 3.806 20 0 HHADHM Cc1cc(F)ccc1Cc1noc(CS(=O)(=O)[N-]c2ccc(OC(C)C)cc2)n1 ZINC000570909225 1072409365 /nfs/dbraw/zinc/40/93/65/1072409365.db2.gz DONHCJNIXZDXAP-UHFFFAOYSA-N -1 3 419.478 3.837 20 0 HHADHM CC(C)(C)C(=O)N1CCC(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000586751854 1072415823 /nfs/dbraw/zinc/41/58/23/1072415823.db2.gz GGRBMUXHUBETNY-UHFFFAOYSA-N -1 3 408.542 3.944 20 0 HHADHM O=C(Nc1ccccn1)[C@H]1CCCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000586752710 1072417138 /nfs/dbraw/zinc/41/71/38/1072417138.db2.gz XMNQZZMELXXDRN-FQEVSTJZSA-N -1 3 415.493 3.869 20 0 HHADHM CCC[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC)c1ccccn1 ZINC000586759088 1072419843 /nfs/dbraw/zinc/41/98/43/1072419843.db2.gz CJBPRLXMOQTYSF-OAHLLOKOSA-N -1 3 417.314 3.995 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H]1C[C@H](C)C[C@@H](c2ccccc2)C1 ZINC001212145062 1072521157 /nfs/dbraw/zinc/52/11/57/1072521157.db2.gz HNTAAAOSNLDREO-DJIMGWMZSA-N -1 3 405.491 3.863 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H]1C[C@H](C)C[C@H](c2ccccc2)C1 ZINC001212145063 1072521277 /nfs/dbraw/zinc/52/12/77/1072521277.db2.gz HNTAAAOSNLDREO-HYVNUMGLSA-N -1 3 405.491 3.863 20 0 HHADHM COc1cc2c(cc1F)[n-]cc(C(=O)N1CCCc3c(OC(F)F)cccc31)c2=O ZINC000571118184 1072567128 /nfs/dbraw/zinc/56/71/28/1072567128.db2.gz QAWQNHREXNOTOP-UHFFFAOYSA-N -1 3 418.371 3.870 20 0 HHADHM COc1ccc(Br)c(CN(C)C(=O)c2c(C)nc(C(C)C)[n-]c2=O)c1 ZINC000760557075 1072579347 /nfs/dbraw/zinc/57/93/47/1072579347.db2.gz UJPCWHBIZOADPQ-UHFFFAOYSA-N -1 3 408.296 3.657 20 0 HHADHM CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)c1c[n-]c2ccccc2c1=O ZINC001126816905 1072665824 /nfs/dbraw/zinc/66/58/24/1072665824.db2.gz GOHCKVMDCISWAX-UHFFFAOYSA-N -1 3 419.481 3.805 20 0 HHADHM Cc1cnc([C@@H](C)OC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)o1 ZINC000785418148 1072715871 /nfs/dbraw/zinc/71/58/71/1072715871.db2.gz WETFCCAOULBHRI-CYBMUJFWSA-N -1 3 404.419 3.841 20 0 HHADHM CCCCCc1nnc([N-]C(=O)c2oc3ccccc3c2CS(C)(=O)=O)s1 ZINC000588016162 1072755015 /nfs/dbraw/zinc/75/50/15/1072755015.db2.gz GWZBMKWARBAEQR-UHFFFAOYSA-N -1 3 407.517 3.814 20 0 HHADHM COc1cc(OC)cc(S(=O)(=O)[N-][C@](C)(c2ccc(F)cc2)C(F)(F)F)c1 ZINC000479152439 1072774996 /nfs/dbraw/zinc/77/49/96/1072774996.db2.gz DSHXHWHGEPZQBP-MRXNPFEDSA-N -1 3 407.385 3.599 20 0 HHADHM Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCCCCN(Cc3ccccc3)C2)c(F)c1 ZINC001670865380 1072795246 /nfs/dbraw/zinc/79/52/46/1072795246.db2.gz WPQQXXTXYUOICC-SFHVURJKSA-N -1 3 408.514 3.996 20 0 HHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2cccnc2OCC(F)F)c1Cl ZINC000479386460 1072797631 /nfs/dbraw/zinc/79/76/31/1072797631.db2.gz HPFBQCXPDIKVJZ-UHFFFAOYSA-N -1 3 411.257 3.819 20 0 HHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)c1 ZINC000588219358 1072919519 /nfs/dbraw/zinc/91/95/19/1072919519.db2.gz KEZIGEDROKBXDZ-HNNXBMFYSA-N -1 3 424.432 3.560 20 0 HHADHM [O-]c1cccnc1CN1CCC[C@H]1c1nc(-c2ccccc2Br)no1 ZINC000554864530 1072923879 /nfs/dbraw/zinc/92/38/79/1072923879.db2.gz AEGQQIGXGNNNBX-HNNXBMFYSA-N -1 3 401.264 3.937 20 0 HHADHM Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2 ZINC000554930983 1072965720 /nfs/dbraw/zinc/96/57/20/1072965720.db2.gz QYKWIFRRCPBMRI-UHFFFAOYSA-N -1 3 414.527 3.808 20 0 HHADHM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(=O)c1cccc2c[nH]nc21 ZINC000589968154 1073412397 /nfs/dbraw/zinc/41/23/97/1073412397.db2.gz WTUPFGNRKWJQTF-UHFFFAOYSA-N -1 3 420.494 3.636 20 0 HHADHM O=C(CCCCc1ccc(Br)cc1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000589972892 1073418596 /nfs/dbraw/zinc/41/85/96/1073418596.db2.gz WOBSEWYWWSUONE-UHFFFAOYSA-N -1 3 400.280 3.981 20 0 HHADHM O=C(CCCCc1ccc(Br)cc1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000589972892 1073418603 /nfs/dbraw/zinc/41/86/03/1073418603.db2.gz WOBSEWYWWSUONE-UHFFFAOYSA-N -1 3 400.280 3.981 20 0 HHADHM O=S(=O)([N-][C@@H](c1nccs1)C(F)(F)F)c1ccc(OC(F)F)c(Cl)c1 ZINC000555414767 1073439453 /nfs/dbraw/zinc/43/94/53/1073439453.db2.gz HJSZQMBKPXWDBE-VIFPVBQESA-N -1 3 422.784 3.980 20 0 HHADHM CCc1noc(-c2ccc(CC[N-]S(=O)(=O)c3ccc(Cl)cc3F)cc2)n1 ZINC000590068556 1073543398 /nfs/dbraw/zinc/54/33/98/1073543398.db2.gz ACIQOJIRSZFSTI-UHFFFAOYSA-N -1 3 409.870 3.613 20 0 HHADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)N[C@@H]3CC34CCCC4)c2)c1 ZINC000760589963 1073787138 /nfs/dbraw/zinc/78/71/38/1073787138.db2.gz QDLZAXIYXPISQY-HXUWFJFHSA-N -1 3 410.470 3.724 20 0 HHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1nc2cc(F)c(F)cc2s1 ZINC000590496765 1073858045 /nfs/dbraw/zinc/85/80/45/1073858045.db2.gz XTJXQEPPIVOHJF-UHFFFAOYSA-N -1 3 401.398 3.692 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(Cl)c2)cc1OC ZINC000590530284 1073908505 /nfs/dbraw/zinc/90/85/05/1073908505.db2.gz GBYIXENPQGPYKD-UHFFFAOYSA-N -1 3 407.879 3.652 20 0 HHADHM O=C(NC[C@H]1CC1(Cl)Cl)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000760787261 1073953941 /nfs/dbraw/zinc/95/39/41/1073953941.db2.gz JQLGXGULWSGTGL-ZCFIWIBFSA-N -1 3 424.509 3.868 20 0 HHADHM C[C@H](Cc1ccco1)NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000760788687 1073980016 /nfs/dbraw/zinc/98/00/16/1073980016.db2.gz JVIRQJVUAZHDMQ-SECBINFHSA-N -1 3 409.667 3.898 20 0 HHADHM CCOc1cn(-c2ccccc2)nc1C(=O)[N-]c1n[nH]c(-c2ccc(Cl)cc2)n1 ZINC000590837993 1074012426 /nfs/dbraw/zinc/01/24/26/1074012426.db2.gz VUXYNRYBHHFLML-UHFFFAOYSA-N -1 3 408.849 3.962 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]CC(C)(C)c2ncccc2C)sc1Br ZINC000573048030 1074072113 /nfs/dbraw/zinc/07/21/13/1074072113.db2.gz LFGSHQJPIJRNGC-UHFFFAOYSA-N -1 3 403.367 3.779 20 0 HHADHM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccncc3)cc2)cc1 ZINC000591045802 1074090844 /nfs/dbraw/zinc/09/08/44/1074090844.db2.gz IOCOXSLKKSUCKE-UHFFFAOYSA-N -1 3 411.483 3.922 20 0 HHADHM O=S(=O)([N-][C@@H](CN1CCCC1)c1ccccc1)c1sccc1Br ZINC000615196554 1074103513 /nfs/dbraw/zinc/10/35/13/1074103513.db2.gz YPVUYFTYBHSDEW-HNNXBMFYSA-N -1 3 415.378 3.626 20 0 HHADHM O=C(NC[C@H]1CC2c3ccccc3C1c1ccccc12)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000591095958 1074110067 /nfs/dbraw/zinc/11/00/67/1074110067.db2.gz ICKHXNHQZKGBBR-UWFASSMRSA-N -1 3 408.457 3.597 20 0 HHADHM O=C(CCCc1cccnc1)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001649005993 1074180456 /nfs/dbraw/zinc/18/04/56/1074180456.db2.gz LSZLJVATPXJHJC-INIZCTEOSA-N -1 3 405.420 3.603 20 0 HHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N1CCC(c2ccc(F)c(F)c2)CC1 ZINC000591255804 1074189890 /nfs/dbraw/zinc/18/98/90/1074189890.db2.gz LDJNVTSRBUUXAH-UHFFFAOYSA-N -1 3 412.440 3.849 20 0 HHADHM CSCC[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1)c1nc(Cc2cccs2)no1 ZINC000904339403 1074199876 /nfs/dbraw/zinc/19/98/76/1074199876.db2.gz QSWADZDSOXRLEK-MRXNPFEDSA-N -1 3 423.585 3.803 20 0 HHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CCCc2ccc(C)cc2C)cc1Cl ZINC000591386727 1074261788 /nfs/dbraw/zinc/26/17/88/1074261788.db2.gz WNXKDDOIEMPCMP-UHFFFAOYSA-N -1 3 412.914 3.965 20 0 HHADHM CC[C@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)c1nc(C)cs1 ZINC000591352251 1074264671 /nfs/dbraw/zinc/26/46/71/1074264671.db2.gz MOVCDCFACGGNKR-AWEZNQCLSA-N -1 3 422.507 3.601 20 0 HHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)C(=O)c1ccc(Cl)cc1 ZINC000591367630 1074268339 /nfs/dbraw/zinc/26/83/39/1074268339.db2.gz CTVFPIBANMAENR-UHFFFAOYSA-N -1 3 420.796 3.552 20 0 HHADHM Cc1nc(C)c(CC(=O)N[C@H]2c3cc(Br)ccc3SC[C@@H]2C)c(=O)[n-]1 ZINC000591370245 1074270623 /nfs/dbraw/zinc/27/06/23/1074270623.db2.gz OBQJQJZMQYYEII-HUTHGQBESA-N -1 3 422.348 3.703 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)N2CCC(c3ccc(F)c(F)c3)CC2)c([O-])c1 ZINC000591463877 1074310106 /nfs/dbraw/zinc/31/01/06/1074310106.db2.gz WRLWNFHKKBYTLV-UHFFFAOYSA-N -1 3 402.441 3.505 20 0 HHADHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1ccc(C(F)(F)C(F)(F)F)cc1 ZINC000591840838 1074582768 /nfs/dbraw/zinc/58/27/68/1074582768.db2.gz ILHDOSUSRQDSSL-UHFFFAOYSA-N -1 3 417.334 3.598 20 0 HHADHM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(Sc4nccn4C)cc3)ccc2O1 ZINC000592003124 1074664648 /nfs/dbraw/zinc/66/46/48/1074664648.db2.gz HTRZWMQSNWSTKV-CYBMUJFWSA-N -1 3 401.513 3.696 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCCc3ccc4[nH]c(=O)[nH]c4c3)c2)n1 ZINC000592743006 1075103542 /nfs/dbraw/zinc/10/35/42/1075103542.db2.gz QHCKXIVFQFDEKN-UHFFFAOYSA-N -1 3 417.469 3.955 20 0 HHADHM O=C(c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)N1CCCc2sccc2C1 ZINC000593247108 1075187725 /nfs/dbraw/zinc/18/77/25/1075187725.db2.gz LEQXASSESXYRPH-UHFFFAOYSA-N -1 3 419.503 3.605 20 0 HHADHM CCOc1ccccc1C1=N/C(=C/c2ccc(OC)c([O-])c2Br)C(=O)O1 ZINC000761015636 1075188361 /nfs/dbraw/zinc/18/83/61/1075188361.db2.gz PRPACTOQHAKRIF-JLHYYAGUSA-N -1 3 418.243 3.907 20 0 HHADHM COCCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2C)cc1C ZINC000574256737 1075195753 /nfs/dbraw/zinc/19/57/53/1075195753.db2.gz NXXXCQHTVJIYMB-UHFFFAOYSA-N -1 3 402.472 3.784 20 0 HHADHM Cc1ccnc2nc(C(=O)[N-]c3sc4c(c3C(=O)c3cccs3)CCCC4)nn21 ZINC000669527365 1075289577 /nfs/dbraw/zinc/28/95/77/1075289577.db2.gz TVGXUROTECKLNZ-UHFFFAOYSA-N -1 3 423.523 3.918 20 0 HHADHM COCCC1(C)CN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)ccc2C)C1 ZINC000574563795 1075292057 /nfs/dbraw/zinc/29/20/57/1075292057.db2.gz QJZKZOHBIGLEHE-UHFFFAOYSA-N -1 3 416.543 3.603 20 0 HHADHM O=C(NCCCc1c[n-][nH]c1=O)[C@H](Sc1ccc(F)c(Cl)c1)c1ccccc1 ZINC001168404777 1075329222 /nfs/dbraw/zinc/32/92/22/1075329222.db2.gz NNWXARNWUBROII-RDTXWAMCSA-N -1 3 419.909 3.941 20 0 HHADHM Cc1ccc(Cc2nnc([N-]C(=O)c3cn(-c4ccc(Cl)cc4)nn3)s2)cc1 ZINC000594572184 1075336775 /nfs/dbraw/zinc/33/67/75/1075336775.db2.gz MCRSVPGDFFNCFE-UHFFFAOYSA-N -1 3 410.890 3.924 20 0 HHADHM COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)c(Cl)c1 ZINC000594607115 1075346991 /nfs/dbraw/zinc/34/69/91/1075346991.db2.gz KHKLEXCQVVMROY-UHFFFAOYSA-N -1 3 422.812 3.991 20 0 HHADHM Cc1c(C(=O)Nc2cccc(-c3nnn[n-]3)c2)nnn1-c1ccc(-c2ccccc2)cc1 ZINC000595381018 1075453324 /nfs/dbraw/zinc/45/33/24/1075453324.db2.gz QMMSCGUTBKZNFP-UHFFFAOYSA-N -1 3 422.452 3.675 20 0 HHADHM Cc1c(C(=O)Nc2cccc(-c3nn[n-]n3)c2)nnn1-c1ccc(-c2ccccc2)cc1 ZINC000595381018 1075453325 /nfs/dbraw/zinc/45/33/25/1075453325.db2.gz QMMSCGUTBKZNFP-UHFFFAOYSA-N -1 3 422.452 3.675 20 0 HHADHM Cc1ncsc1CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000595479177 1075462048 /nfs/dbraw/zinc/46/20/48/1075462048.db2.gz DYSAMVGEZVPFMI-UHFFFAOYSA-N -1 3 419.503 3.664 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)O[C@H](C)c2sc(-c3ccccc3)nc2C)c(C)o1 ZINC000761177015 1075562893 /nfs/dbraw/zinc/56/28/93/1075562893.db2.gz FAJOPVGVCDEPRK-CYBMUJFWSA-N -1 3 420.512 3.846 20 0 HHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1 ZINC000641862636 1075566599 /nfs/dbraw/zinc/56/65/99/1075566599.db2.gz QZTAKBXJWMCKDL-GFCCVEGCSA-N -1 3 403.552 3.729 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)O[C@@H](C)c2ccc3cc(OC)ccc3c2)c(C)o1 ZINC000761235048 1075686108 /nfs/dbraw/zinc/68/61/08/1075686108.db2.gz OECWVQKYSZCXRI-LBPRGKRZSA-N -1 3 403.456 3.576 20 0 HHADHM CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)Nc2cccc(N(C)C(C)C)c2)cc1 ZINC000597802368 1075709532 /nfs/dbraw/zinc/70/95/32/1075709532.db2.gz MZNNBBFIOANPCK-UHFFFAOYSA-N -1 3 419.547 3.699 20 0 HHADHM O=C(CSCc1ccc(Br)cc1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000602242546 1075722936 /nfs/dbraw/zinc/72/29/36/1075722936.db2.gz NSMFCRKVYROSBI-UHFFFAOYSA-N -1 3 404.293 3.501 20 0 HHADHM O=C(CSCc1ccc(Br)cc1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000602242546 1075722941 /nfs/dbraw/zinc/72/29/41/1075722941.db2.gz NSMFCRKVYROSBI-UHFFFAOYSA-N -1 3 404.293 3.501 20 0 HHADHM CC1CCN([C@@H](CNC(=O)N[C@H](C(=O)[O-])c2ccccc2)c2cccs2)CC1 ZINC000780345055 939107114 /nfs/dbraw/zinc/10/71/14/939107114.db2.gz BXASNOAYLUVEEA-HKUYNNGSSA-N -1 3 401.532 3.646 20 0 HHADHM CC[C@H](CC(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)c1ccc(OC)cc1 ZINC001123372430 939822524 /nfs/dbraw/zinc/82/25/24/939822524.db2.gz SQDYWZHIDHJBKD-NLFFAJNJSA-N -1 3 424.541 3.815 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(NCC3(CN4CCOCC4)CCCCC3)nc2)n1 ZINC000301591758 970994145 /nfs/dbraw/zinc/99/41/45/970994145.db2.gz UIZPOPPYDAYHRN-UHFFFAOYSA-N -1 3 411.550 3.501 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3ccc(C)cc3O[C@@H]3CCOC3)nc2)n1 ZINC000301618142 971004625 /nfs/dbraw/zinc/00/46/25/971004625.db2.gz BECFBULAOAFXDP-LJQANCHMSA-N -1 3 406.486 3.895 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@H](n4ccc(C(F)(F)F)n4)C3)nc2)n1 ZINC000302143997 971186763 /nfs/dbraw/zinc/18/67/63/971186763.db2.gz GDEKDGSZDDOZCU-HNNXBMFYSA-N -1 3 418.423 3.863 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC(C)(NC(=O)OC(C)(C)C)CC3)nc2)n1 ZINC000302465547 971241007 /nfs/dbraw/zinc/24/10/07/971241007.db2.gz BJWAOTHCDHMBIP-UHFFFAOYSA-N -1 3 413.522 3.690 20 0 HHADHM O=C(NC1CC1)[C@@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)c1ccccc1 ZINC000302640135 971269346 /nfs/dbraw/zinc/26/93/46/971269346.db2.gz OMGITMWJSUCLLF-SFHVURJKSA-N 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1013103191 /nfs/dbraw/zinc/10/31/91/1013103191.db2.gz QTWXBNQXPSBRIT-UHFFFAOYSA-N -1 3 401.264 3.664 20 0 HHADHM O=C1[C@H](Sc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)CCN1c1ccccc1F ZINC000303488209 971787376 /nfs/dbraw/zinc/78/73/76/971787376.db2.gz VKZBKNVJYMEKSY-QGZVFWFLSA-N -1 3 421.457 3.558 20 0 HHADHM C[C@H](C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccccc1)N1CCCCCC1 ZINC000303591464 971884025 /nfs/dbraw/zinc/88/40/25/971884025.db2.gz VEQKJGMGIHDTAP-QGZVFWFLSA-N -1 3 401.532 3.690 20 0 HHADHM Cc1cccnc1[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C(C)C ZINC000303668467 971947139 /nfs/dbraw/zinc/94/71/39/971947139.db2.gz YCMVUDUSTQWJOZ-SFHVURJKSA-N -1 3 421.538 3.733 20 0 HHADHM CC(C)Oc1c(Cl)cccc1NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000303674904 971953604 /nfs/dbraw/zinc/95/36/04/971953604.db2.gz HLCLBGFJPUQXNL-UHFFFAOYSA-N -1 3 423.343 3.759 20 0 HHADHM O=c1[n-]nc(SCC/C=C/c2ccc(Br)cc2)n1C[C@@H]1CCCO1 ZINC000303690615 971966396 /nfs/dbraw/zinc/96/63/96/971966396.db2.gz PNSNDJJLBZKMOA-AWXVTKJVSA-N -1 3 410.337 3.709 20 0 HHADHM O=S(=O)([N-]CCOc1ccc(F)cc1)c1cc(Br)ccc1Cl ZINC000524313249 1013129213 /nfs/dbraw/zinc/12/92/13/1013129213.db2.gz IZCFEIFDMKDYNU-UHFFFAOYSA-N -1 3 408.676 3.599 20 0 HHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3nccnc3Sc3ccccc3)nc21 ZINC000542229750 1013183981 /nfs/dbraw/zinc/18/39/81/1013183981.db2.gz QGABQFUKFJWUHR-UHFFFAOYSA-N -1 3 405.439 3.543 20 0 HHADHM C[C@@H](CC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1cccc(C(F)(F)F)c1 ZINC000303852019 972392267 /nfs/dbraw/zinc/39/22/67/972392267.db2.gz VCTWUMMZQUGQDJ-HNNXBMFYSA-N -1 3 420.431 3.889 20 0 HHADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(-c3nnnn3C3CC3)c2)cc1 ZINC000542236695 1013193986 /nfs/dbraw/zinc/19/39/86/1013193986.db2.gz NCVCMVMTOCQTAM-UHFFFAOYSA-N -1 3 413.503 3.573 20 0 HHADHM Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000007095145 961012404 /nfs/dbraw/zinc/01/24/04/961012404.db2.gz DMEYVLUZVLGOOG-OAHLLOKOSA-N -1 3 419.510 3.845 20 0 HHADHM O=C(COC(=O)c1csc(-c2cccc(Cl)c2)n1)[N-]C(=O)c1cccs1 ZINC000007106461 961018101 /nfs/dbraw/zinc/01/81/01/961018101.db2.gz VJRQWRBCQDNIIQ-UHFFFAOYSA-N -1 3 406.872 3.638 20 0 HHADHM CC(C)CCC[C@@H](C)NC(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000007154261 961040666 /nfs/dbraw/zinc/04/06/66/961040666.db2.gz WWVCLONZPIFJMW-OAHLLOKOSA-N -1 3 413.547 3.532 20 0 HHADHM CCOc1ccc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1OCC ZINC000007378282 961153923 /nfs/dbraw/zinc/15/39/23/961153923.db2.gz ZFVPPVGNULLPMF-UHFFFAOYSA-N -1 3 401.887 3.798 20 0 HHADHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2Br)c1 ZINC000007404753 961162212 /nfs/dbraw/zinc/16/22/12/961162212.db2.gz CTBSVTBKYXAWPY-UHFFFAOYSA-N -1 3 404.669 3.690 20 0 HHADHM O=C(NCc1ccco1)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1Cl ZINC000008180806 961465193 /nfs/dbraw/zinc/46/51/93/961465193.db2.gz MSFOVMSJUCSYRG-UHFFFAOYSA-N -1 3 408.838 3.803 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](C)c3ccc(S(=O)(=O)CC)cc3)nc2)n1 ZINC000553344806 1013287458 /nfs/dbraw/zinc/28/74/58/1013287458.db2.gz BULPIZZSFGWYGI-AWEZNQCLSA-N -1 3 412.515 3.773 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(F)(F)F)c2)cc1NC(C)=O ZINC000010514353 961836970 /nfs/dbraw/zinc/83/69/70/961836970.db2.gz QJNVEPRAVMBJDZ-UHFFFAOYSA-N -1 3 402.394 3.782 20 0 HHADHM N#Cc1cccc(NC(=O)c2cc(S(=O)(=O)[N-]C3CC3)c(Cl)cc2Cl)c1 ZINC000011373776 962069892 /nfs/dbraw/zinc/06/98/92/962069892.db2.gz LQEOOKHXQCNGOK-UHFFFAOYSA-N -1 3 410.282 3.558 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CC[C@@H](c3ccc(C)cc3)C2)cc1OC ZINC000542360350 1013317194 /nfs/dbraw/zinc/31/71/94/1013317194.db2.gz MSNKXYFWFWZZBT-QGZVFWFLSA-N -1 3 417.531 3.787 20 0 HHADHM Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000011809903 962194261 /nfs/dbraw/zinc/19/42/61/962194261.db2.gz CKXAAZDEVLKRPY-UHFFFAOYSA-N -1 3 407.257 3.920 20 0 HHADHM Cc1ccc(COc2ccc(C[C@@H](C)NC(=O)NCc3cnc(C)[n-]c3=O)cc2)cc1 ZINC000542371015 1013325913 /nfs/dbraw/zinc/32/59/13/1013325913.db2.gz DOYZKEGNVFAFBI-QGZVFWFLSA-N -1 3 420.513 3.808 20 0 HHADHM Cc1cc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)ccc1N1CCCC1=O ZINC000012652503 962307552 /nfs/dbraw/zinc/30/75/52/962307552.db2.gz KZGMIEPWUQZSSZ-UHFFFAOYSA-N -1 3 414.405 3.821 20 0 HHADHM CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000014223896 962449727 /nfs/dbraw/zinc/44/97/27/962449727.db2.gz QSSRXBRHCZJHOQ-UHFFFAOYSA-N -1 3 402.925 3.683 20 0 HHADHM O=C(NC[C@@H]1CCCCS1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000542398874 1013351919 /nfs/dbraw/zinc/35/19/19/1013351919.db2.gz IVTSLFMEMONNEQ-HNNXBMFYSA-N -1 3 408.520 3.642 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3C[C@H](C)C[C@H](C)C3)ccc2C)cc1 ZINC000015434218 962760820 /nfs/dbraw/zinc/76/08/20/962760820.db2.gz YBKQJTZBXAKLHH-IYBDPMFKSA-N -1 3 416.543 3.923 20 0 HHADHM Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000015469494 962768464 /nfs/dbraw/zinc/76/84/64/962768464.db2.gz CXNHSFBAHGZRIX-UHFFFAOYSA-N -1 3 416.846 3.755 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)Cc3ccco3)ccc2C)cc1 ZINC000015617879 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1013651437 /nfs/dbraw/zinc/65/14/37/1013651437.db2.gz WLIFAQJJTMRIEB-UHFFFAOYSA-N -1 3 421.238 3.831 20 0 HHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)CSCc1cc(-c2cccs2)on1 ZINC000061375281 966444049 /nfs/dbraw/zinc/44/40/49/966444049.db2.gz OWRXXQUIEWCMBB-UHFFFAOYSA-N -1 3 423.541 3.647 20 0 HHADHM CCc1cc2c(CSc3nc4sccc4c(=O)n3C)cc(=O)oc2cc1[O-] ZINC000036818989 966461195 /nfs/dbraw/zinc/46/11/95/966461195.db2.gz LLPAJODXORHYLU-UHFFFAOYSA-N -1 3 400.481 3.662 20 0 HHADHM O=S(=O)([N-]Cc1cccc(F)c1)c1cc(Br)ccc1Br ZINC000037404180 966474755 /nfs/dbraw/zinc/47/47/55/966474755.db2.gz KNJDIJYLUCXPFQ-UHFFFAOYSA-N -1 3 423.101 3.829 20 0 HHADHM Cc1ccc(-c2ncc(C(=O)N3CCN(C(=O)c4ccccc4[O-])CC3)s2)c(C)c1 ZINC000061621192 966514949 /nfs/dbraw/zinc/51/49/49/966514949.db2.gz SPIAPLOJQRQRRG-UHFFFAOYSA-N -1 3 421.522 3.731 20 0 HHADHM CCO[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)ccc2C)C1 ZINC000062305293 966644581 /nfs/dbraw/zinc/64/45/81/966644581.db2.gz LNCLDOVXJCZHIK-LJQANCHMSA-N -1 3 416.543 3.745 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cccc4[nH]ncc43)cc2)cc1 ZINC000042008931 966687630 /nfs/dbraw/zinc/68/76/30/966687630.db2.gz LIWHZYCULMWOMV-UHFFFAOYSA-N -1 3 406.467 3.924 20 0 HHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000062513297 966694987 /nfs/dbraw/zinc/69/49/87/966694987.db2.gz HGHPLAOMXUAZFM-LJQANCHMSA-N -1 3 413.271 3.504 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3cc(C)on3)ccc2C)cc1 ZINC000042084681 966711258 /nfs/dbraw/zinc/71/12/58/966711258.db2.gz BFVOLYNFFARLCJ-UHFFFAOYSA-N -1 3 415.471 3.743 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000042091725 966714695 /nfs/dbraw/zinc/71/46/95/966714695.db2.gz RJKCAZIZRYMEPU-LLVKDONJSA-N -1 3 417.296 3.867 20 0 HHADHM Cc1cccc(NC(=O)[C@H](C)Sc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)c1C ZINC000042095168 966715469 /nfs/dbraw/zinc/71/54/69/966715469.db2.gz FLQXYSMDVZXKCL-HNNXBMFYSA-N -1 3 419.510 3.845 20 0 HHADHM CCN(C[C@H]1CCOC1)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C 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ZUPXMESSJXSHJC-NSHDSACASA-N -1 3 419.330 3.749 20 0 HHADHM O=S(=O)([N-]C1CC(C(F)(F)F)C1)c1cc(Br)cc2cccnc21 ZINC000553908647 1013692692 /nfs/dbraw/zinc/69/26/92/1013692692.db2.gz WPIOQCKRJZJMLV-UHFFFAOYSA-N -1 3 409.227 3.617 20 0 HHADHM O=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000043717913 967019044 /nfs/dbraw/zinc/01/90/44/967019044.db2.gz KYNFTXHCYDATLA-HXUWFJFHSA-N -1 3 413.905 3.664 20 0 HHADHM O=C(NC[C@H]1CC2c3ccccc3C1c1ccccc12)NNC(=O)c1ccccc1[O-] ZINC000043725895 967019840 /nfs/dbraw/zinc/01/98/40/967019840.db2.gz OXSPGKHAXWPOMM-UWFASSMRSA-N -1 3 413.477 3.634 20 0 HHADHM C[C@@H](/N=C/c1cc(Br)ccc1[O-])c1ccc(OCC(=O)NC2CC2)cc1 ZINC000044012119 967092351 /nfs/dbraw/zinc/09/23/51/967092351.db2.gz ZYTBOLQJNQTZNV-XIJPWPHISA-N -1 3 417.303 3.992 20 0 HHADHM Cc1nn(-c2ccccc2)cc1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000542837742 1013699576 /nfs/dbraw/zinc/69/95/76/1013699576.db2.gz WNDAIXQLGVDMKF-UHFFFAOYSA-N -1 3 401.264 3.971 20 0 HHADHM Cc1noc(C(C)C)c1C(=O)[N-]c1ncn(Cc2cccc(Br)c2)n1 ZINC000064463234 967197728 /nfs/dbraw/zinc/19/77/28/967197728.db2.gz CRFLZLBIEWAUBP-UHFFFAOYSA-N -1 3 404.268 3.761 20 0 HHADHM O=C(c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl)N1CCCCCCC1 ZINC000044515933 967227800 /nfs/dbraw/zinc/22/78/00/967227800.db2.gz GMZULYTYXPOGRK-UHFFFAOYSA-N -1 3 405.347 3.840 20 0 HHADHM CN(Cc1ccc(Cl)cc1Cl)C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000044851824 967302421 /nfs/dbraw/zinc/30/24/21/967302421.db2.gz CZMJEZHCMQQOQN-QGZVFWFLSA-N -1 3 407.297 3.962 20 0 HHADHM O=C(Nc1cccc2cccnc21)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000045015175 967332125 /nfs/dbraw/zinc/33/21/25/967332125.db2.gz BCXSKJQHHGNALX-UHFFFAOYSA-N -1 3 410.430 3.755 20 0 HHADHM O=C(NCc1ccc(-c2nc3ccccc3s2)o1)N[N-]C(=O)c1ccccc1F ZINC000045345109 967430225 /nfs/dbraw/zinc/43/02/25/967430225.db2.gz OHVOKOMHWBORNM-UHFFFAOYSA-N -1 3 410.430 3.840 20 0 HHADHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(-c3cnc(C)o3)cc2)ccc1F ZINC000045357985 967436784 /nfs/dbraw/zinc/43/67/84/967436784.db2.gz UQCYGCMVQQXPBE-UHFFFAOYSA-N -1 3 415.446 3.506 20 0 HHADHM CN(C(=O)Cc1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1)c1ccccc1 ZINC000065502050 967496873 /nfs/dbraw/zinc/49/68/73/967496873.db2.gz TWESEAZPPSTLJJ-UHFFFAOYSA-N -1 3 411.461 3.986 20 0 HHADHM CC(C)c1cccc(O[C@@H](C)C(=O)N[N-]C(=O)c2ccccc2Br)c1 ZINC000045583893 967502785 /nfs/dbraw/zinc/50/27/85/967502785.db2.gz FVVWYOHVOLHTPN-ZDUSSCGKSA-N -1 3 405.292 3.801 20 0 HHADHM C[C@@H]([N-]S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl)c1cc2ccccc2o1 ZINC000045742208 967546451 /nfs/dbraw/zinc/54/64/51/967546451.db2.gz FKIGKQFTVCAJFX-LLVKDONJSA-N -1 3 413.904 3.529 20 0 HHADHM COc1ccc2[nH]cc(C3=CCN(C(=O)c4cc(NC(C)=O)ccc4[O-])CC3)c2c1 ZINC000065646776 967550741 /nfs/dbraw/zinc/55/07/41/967550741.db2.gz ZKHZGJRRRFZJRB-UHFFFAOYSA-N -1 3 405.454 3.770 20 0 HHADHM O=C(NCc1ccc(N2CCCC2)nc1)NN=c1[n-]c(Cl)c(Cl)cc1Cl ZINC000045845041 967571984 /nfs/dbraw/zinc/57/19/84/967571984.db2.gz QAIKAGUUOHUPFN-UHFFFAOYSA-N -1 3 415.712 3.863 20 0 HHADHM CCNC(=O)c1ccc(CNC(=O)NN=c2[n-]c(Cl)c(Cl)cc2Cl)cc1 ZINC000045842997 967572006 /nfs/dbraw/zinc/57/20/06/967572006.db2.gz RCGAFHOJMXAILI-UHFFFAOYSA-N -1 3 416.696 3.618 20 0 HHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(Cl)ccc2F)ccc1F ZINC000045887767 967586697 /nfs/dbraw/zinc/58/66/97/967586697.db2.gz CCACHVJNVAGLAN-UHFFFAOYSA-N -1 3 402.850 3.947 20 0 HHADHM CCc1nc2ccccc2n1CC(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000046065818 967650979 /nfs/dbraw/zinc/65/09/79/967650979.db2.gz QXACDEBKFLTMTL-UHFFFAOYSA-N -1 3 401.470 3.550 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cnn(-c4ccc(F)cc4)c3C)c2)n1 ZINC000046066802 967651048 /nfs/dbraw/zinc/65/10/48/967651048.db2.gz HHRMPGBEZHWUTN-UHFFFAOYSA-N -1 3 417.444 3.885 20 0 HHADHM CC(C)[C@H]1C[C@H](CC(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)CCO1 ZINC000542892472 1013737436 /nfs/dbraw/zinc/73/74/36/1013737436.db2.gz WTJLYCHIGBRNQY-MLGOLLRUSA-N -1 3 422.469 3.857 20 0 HHADHM COc1cc[n-]c(=NNC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)c(C)c2)n1 ZINC000046364182 967765668 /nfs/dbraw/zinc/76/56/68/967765668.db2.gz IBYIGQZGNZCTDU-UHFFFAOYSA-N -1 3 414.469 3.712 20 0 HHADHM COc1cc[n-]c(=NNC(=O)[C@@](C)(Cc2nc3ccccc3s2)c2ccccc2)n1 ZINC000046365267 967765862 /nfs/dbraw/zinc/76/58/62/967765862.db2.gz QMQCLKZNFMAUAG-QFIPXVFZSA-N -1 3 419.510 3.739 20 0 HHADHM COc1cc[n-]c(=NNC(=O)CCc2c3ccccc3[nH]c2-c2ccc(F)cc2)n1 ZINC000046364256 967765933 /nfs/dbraw/zinc/76/59/33/967765933.db2.gz PIMXYEKAKPTLTL-UHFFFAOYSA-N -1 3 405.433 3.849 20 0 HHADHM C[C@@H]1CCCN(S(=O)(=O)c2cc(C([O-])=C(C#N)c3ccccn3)ccc2Cl)C1 ZINC000046440424 967802679 /nfs/dbraw/zinc/80/26/79/967802679.db2.gz SWWRUFNHTTWJPE-ZBFHGGJFSA-N -1 3 417.918 3.646 20 0 HHADHM N#Cc1ccc(COC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cc1 ZINC000046451744 967807360 /nfs/dbraw/zinc/80/73/60/967807360.db2.gz WPEFYJIHFSJSIQ-QFIPXVFZSA-N -1 3 400.434 3.868 20 0 HHADHM CC(C)(CNC(=O)N[N-]C(=O)c1ccccc1F)c1ccc(Br)cc1 ZINC000047084395 968050075 /nfs/dbraw/zinc/05/00/75/968050075.db2.gz BZENSMWRJRZXLW-UHFFFAOYSA-N -1 3 408.271 3.510 20 0 HHADHM CCCCOc1ccc([C@H](C)NC(=O)N[N-]C(=O)c2ccccc2F)cc1OC ZINC000047159636 968069639 /nfs/dbraw/zinc/06/96/39/968069639.db2.gz KYTJWSJQHCRXOW-AWEZNQCLSA-N -1 3 403.454 3.718 20 0 HHADHM O=C(NC12CC3CC(CC(C3)C1)C2)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000047271674 968113975 /nfs/dbraw/zinc/11/39/75/968113975.db2.gz IWHXTPOAWSFPFF-UHFFFAOYSA-N -1 3 417.506 3.653 20 0 HHADHM COc1ccc(NC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)cc1 ZINC000047323943 968139117 /nfs/dbraw/zinc/13/91/17/968139117.db2.gz QFOAEWIOSYMMCW-UHFFFAOYSA-N -1 3 403.866 3.937 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)/C=C/c2ccc3ccccc3n2)cc1OC ZINC000065659033 968577236 /nfs/dbraw/zinc/57/72/36/968577236.db2.gz ORDYWMVYOPOUFB-ACCUITESSA-N -1 3 411.483 3.657 20 0 HHADHM CC1CCC(CNC(=O)c2cc(S(=O)(=O)[N-]C3CC3)c(Cl)cc2Cl)CC1 ZINC000065694223 968593988 /nfs/dbraw/zinc/59/39/88/968593988.db2.gz JWUJILJQLUCIHB-UHFFFAOYSA-N -1 3 419.374 3.990 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@H](C)c1cccc(OC(C)C)c1 ZINC000065737729 968619983 /nfs/dbraw/zinc/61/99/83/968619983.db2.gz PQWSOFGBNBIOOJ-INIZCTEOSA-N -1 3 420.513 3.738 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NCCc2ccc(C(C)C)cc2)cc1OC ZINC000065752903 968624974 /nfs/dbraw/zinc/62/49/74/968624974.db2.gz SPTZSQMAJSJPOY-UHFFFAOYSA-N -1 3 419.547 3.944 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N(C)[C@@H](C)c2ccc(OC)cc2)cc1OC ZINC000065787376 968642925 /nfs/dbraw/zinc/64/29/25/968642925.db2.gz UOWIRKREAIYBEE-AWEZNQCLSA-N -1 3 421.519 3.690 20 0 HHADHM O=C(NCc1cccc(COCc2ccccc2)c1)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000065790793 968645379 /nfs/dbraw/zinc/64/53/79/968645379.db2.gz DPIRZXGBOUZSAE-UHFFFAOYSA-N -1 3 415.449 3.609 20 0 HHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]Cc1ccc(N(C)C2CCCCC2)cc1 ZINC000065793983 968647472 /nfs/dbraw/zinc/64/74/72/968647472.db2.gz MPYDBAYJFGWZPZ-UHFFFAOYSA-N -1 3 410.971 3.629 20 0 HHADHM O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)Nc1ncccc1[O-] ZINC000071814856 968862532 /nfs/dbraw/zinc/86/25/32/968862532.db2.gz APXPSVVAHFWXSC-UHFFFAOYSA-N -1 3 403.467 3.766 20 0 HHADHM Cc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)cc1C(F)(F)F ZINC000071863266 968876439 /nfs/dbraw/zinc/87/64/39/968876439.db2.gz GARKUDUMPDVLDL-UHFFFAOYSA-N -1 3 416.396 3.846 20 0 HHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000078515316 969002583 /nfs/dbraw/zinc/00/25/83/969002583.db2.gz XSMKDONFZMYSAD-KBPBESRZSA-N -1 3 416.396 3.958 20 0 HHADHM CN1CCN(c2ccc(Cl)cc2[N-]S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000098068723 969188821 /nfs/dbraw/zinc/18/88/21/969188821.db2.gz LANVHQMFKQFYSD-UHFFFAOYSA-N -1 3 400.331 3.546 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@H]3COc4ccccc4C3)cc2)cc1 ZINC000105187937 969224953 /nfs/dbraw/zinc/22/49/53/969224953.db2.gz GPGJDLQMPAZHGW-GOSISDBHSA-N -1 3 422.506 3.986 20 0 HHADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Br)c2)cc1C ZINC000106089556 969288688 /nfs/dbraw/zinc/28/86/88/969288688.db2.gz MVDBCJZKQTXIRF-UHFFFAOYSA-N -1 3 414.321 3.892 20 0 HHADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(Sc3nncs3)cc2)cc1 ZINC000108052567 969354367 /nfs/dbraw/zinc/35/43/67/969354367.db2.gz NZZLSEYMUUDYMS-UHFFFAOYSA-N -1 3 423.541 3.515 20 0 HHADHM Cc1ccc2nc(NC(=O)CS(=O)(=O)[N-]c3ccc(OC(C)C)cc3)sc2c1 ZINC000108057619 969355035 /nfs/dbraw/zinc/35/50/35/969355035.db2.gz RWBOIGYHOUDLOY-UHFFFAOYSA-N -1 3 419.528 3.772 20 0 HHADHM CC(C)Oc1ccc(C[N-]S(=O)(=O)c2cc(Br)cnc2Cl)cc1 ZINC000108398515 969379686 /nfs/dbraw/zinc/37/96/86/969379686.db2.gz UWEIKALDMYUOBP-UHFFFAOYSA-N -1 3 419.728 3.763 20 0 HHADHM CCc1ccc(C(=O)CCC(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)cc1 ZINC000108545265 969392587 /nfs/dbraw/zinc/39/25/87/969392587.db2.gz UZSCFZCIAVGUMU-UHFFFAOYSA-N -1 3 418.515 3.621 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1OC ZINC000108546699 969392605 /nfs/dbraw/zinc/39/26/05/969392605.db2.gz QRCZORSWGTYATI-GFCCVEGCSA-N -1 3 412.895 3.516 20 0 HHADHM CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)Nc2ccc(Cl)c(F)c2)cc1 ZINC000108650172 969405813 /nfs/dbraw/zinc/40/58/13/969405813.db2.gz XJZOJOSZBOEBDU-UHFFFAOYSA-N -1 3 400.859 3.647 20 0 HHADHM CCN(CC)c1ccc(NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)cc1 ZINC000109198721 969477910 /nfs/dbraw/zinc/47/79/10/969477910.db2.gz PKTNYKCCZUWFHS-UHFFFAOYSA-N -1 3 405.502 3.558 20 0 HHADHM CCN(c1ccc(C(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)cc1)C(C)C ZINC000109771977 969563079 /nfs/dbraw/zinc/56/30/79/969563079.db2.gz RJHNRXVVCWFAEU-UHFFFAOYSA-N -1 3 419.547 3.944 20 0 HHADHM CN(C)c1ccc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000110253108 969643751 /nfs/dbraw/zinc/64/37/51/969643751.db2.gz SFTIQRDGRLDGKG-UHFFFAOYSA-N -1 3 406.857 3.946 20 0 HHADHM COC(=O)c1cc(C)nc2nc(S[C@H](C)c3ccc(OC(F)F)cc3)[n-]c(=O)c21 ZINC000110968061 969749390 /nfs/dbraw/zinc/74/93/90/969749390.db2.gz TVKZXLFHIWTTJS-SNVBAGLBSA-N -1 3 421.425 3.868 20 0 HHADHM CC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000111210419 969804312 /nfs/dbraw/zinc/80/43/12/969804312.db2.gz JJYIIJBDQWXHFH-UHFFFAOYSA-N -1 3 410.923 3.650 20 0 HHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)Cc3cscn3)c2)cc1 ZINC000115871535 969858483 /nfs/dbraw/zinc/85/84/83/969858483.db2.gz CMCGDJXMDCFZPZ-UHFFFAOYSA-N -1 3 415.540 3.833 20 0 HHADHM COCCOC(=O)c1sc2[n-]c(C(Cl)=Cc3cccnc3)nc(=O)c2c1C ZINC000206138091 970007451 /nfs/dbraw/zinc/00/74/51/970007451.db2.gz NNMHXJDDQBRVKE-XYOKQWHBSA-N -1 3 405.863 3.640 20 0 HHADHM O=C(N[C@@H]1C[C@H]1c1ccccc1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000138980346 970017618 /nfs/dbraw/zinc/01/76/18/970017618.db2.gz OJMRDESURCJFIJ-GHTZIAJQSA-N -1 3 410.470 3.912 20 0 HHADHM O=C(N[C@H]1C[C@@H]1c1ccccc1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000138979862 970017708 /nfs/dbraw/zinc/01/77/08/970017708.db2.gz ZDZAGXXHEGRHLK-NQIIRXRSSA-N -1 3 410.470 3.912 20 0 HHADHM COc1ccc(C(=O)N(Cc2ccco2)Cc2ccc(C(=O)NC3CC3)cc2)c([O-])c1 ZINC000219948310 970095812 /nfs/dbraw/zinc/09/58/12/970095812.db2.gz SQAVYQNUGJPXKJ-UHFFFAOYSA-N -1 3 420.465 3.729 20 0 HHADHM CC[C@@H](CNC(=O)c1ccccc1S[C@@H](C)C(=O)[O-])N1CCc2ccccc2C1 ZINC000236978991 970198950 /nfs/dbraw/zinc/19/89/50/970198950.db2.gz AXGAHKPHQXYEGB-LPHOPBHVSA-N -1 3 412.555 3.819 20 0 HHADHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1cc(C)cc([N+](=O)[O-])c1 ZINC000146890542 970312222 /nfs/dbraw/zinc/31/22/22/970312222.db2.gz DYEQRDMZQMLUSH-AWEZNQCLSA-N -1 3 401.806 3.835 20 0 HHADHM COCCOc1ccccc1C(=O)O[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000148701877 970369586 /nfs/dbraw/zinc/36/95/86/970369586.db2.gz UBDOYRRYXOJZJG-LBPRGKRZSA-N -1 3 402.472 3.545 20 0 HHADHM COCCOc1cccc(C(=O)O[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)c1 ZINC000148801407 970371410 /nfs/dbraw/zinc/37/14/10/970371410.db2.gz SRYDHPPQTRRSKO-LBPRGKRZSA-N -1 3 402.472 3.545 20 0 HHADHM C[C@@H]1CN(C(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)[C@H]2CCCC[C@@H]12 ZINC000554663212 1014004991 /nfs/dbraw/zinc/00/49/91/1014004991.db2.gz BCUKRTNUUIRDHV-WWGRRREGSA-N -1 3 419.374 3.699 20 0 HHADHM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cc(C[S@](C)=O)ccc2Cl)c1 ZINC000554736929 1014035009 /nfs/dbraw/zinc/03/50/09/1014035009.db2.gz MZUPOLPKNOXMAP-VWLOTQADSA-N -1 3 408.932 3.876 20 0 HHADHM COc1ccccc1CC[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000319471158 972670944 /nfs/dbraw/zinc/67/09/44/972670944.db2.gz DEIGYIGDFWGZEJ-UHFFFAOYSA-N -1 3 404.713 3.632 20 0 HHADHM CC(C)N1CC[C@@H]([N-]S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)C1 ZINC000390061949 972820229 /nfs/dbraw/zinc/82/02/29/972820229.db2.gz KBIDFRDAFDBMSY-SNVBAGLBSA-N -1 3 416.168 3.517 20 0 HHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1ccc(Br)c(C(F)(F)F)c1 ZINC000392711971 972856347 /nfs/dbraw/zinc/85/63/47/972856347.db2.gz UZRQSISZCIDMIO-UHFFFAOYSA-N -1 3 412.169 3.900 20 0 HHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1ccc(Br)c(C(F)(F)F)c1 ZINC000392711971 972856355 /nfs/dbraw/zinc/85/63/55/972856355.db2.gz UZRQSISZCIDMIO-UHFFFAOYSA-N -1 3 412.169 3.900 20 0 HHADHM CN(C)CC1([N-]S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)CCC1 ZINC000393515687 972861195 /nfs/dbraw/zinc/86/11/95/972861195.db2.gz CJERTXYLQKCUPC-UHFFFAOYSA-N -1 3 416.168 3.519 20 0 HHADHM Cc1cccc(CCNC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c1 ZINC000409537753 972994076 /nfs/dbraw/zinc/99/40/76/972994076.db2.gz WDVHSNSRJAGJQP-UHFFFAOYSA-N -1 3 415.921 3.957 20 0 HHADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H]3CCO[C@H]3c3ccc(Cl)c(F)c3)nc21 ZINC000409845499 973314123 /nfs/dbraw/zinc/31/41/23/973314123.db2.gz VYMKJODVXXHFBF-PXAZEXFGSA-N -1 3 417.824 3.858 20 0 HHADHM COC(=O)c1cccc2[n-]c(NC(=O)Cc3c(F)ccc(Br)c3F)nc21 ZINC000409996111 973470203 /nfs/dbraw/zinc/47/02/03/973470203.db2.gz DHWPXNHRJNVMAY-UHFFFAOYSA-N -1 3 424.201 3.571 20 0 HHADHM Cc1cc(C)cc(CS(=O)(=O)[N-][C@H](c2nc(-c3ccncc3)no2)C(C)C)c1 ZINC000410102170 973578248 /nfs/dbraw/zinc/57/82/48/973578248.db2.gz BJJLFOYYSHYUKR-SFHVURJKSA-N -1 3 400.504 3.565 20 0 HHADHM Cn1nccc1[C@H]1CCCCN1C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC000410293663 973825724 /nfs/dbraw/zinc/82/57/24/973825724.db2.gz KZQJGFNPSRIBNQ-OAHLLOKOSA-N -1 3 420.391 3.528 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2F)cc1C(=O)N(C)C ZINC000410420101 974018043 /nfs/dbraw/zinc/01/80/43/974018043.db2.gz NYNQIQAHAPUXKU-UHFFFAOYSA-N -1 3 421.277 3.644 20 0 HHADHM CCS[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000426644740 974579471 /nfs/dbraw/zinc/57/94/71/974579471.db2.gz AHFLHSXMKRJYAJ-DOTOQJQBSA-N -1 3 415.581 3.643 20 0 HHADHM CCS[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000426644742 974579600 /nfs/dbraw/zinc/57/96/00/974579600.db2.gz AHFLHSXMKRJYAJ-RDJZCZTQSA-N -1 3 415.581 3.643 20 0 HHADHM O=C([O-])[C@H](CNCc1cn(-c2ccc(F)c(Cl)c2)nn1)Cc1ccccc1Cl ZINC000426705452 974606979 /nfs/dbraw/zinc/60/69/79/974606979.db2.gz WNGXOAVPSDMFSL-ZDUSSCGKSA-N -1 3 423.275 3.746 20 0 HHADHM O=C([O-])[C@@H](CN1CCCc2ccccc21)NCc1cc(F)ccc1Br ZINC000426747806 974632468 /nfs/dbraw/zinc/63/24/68/974632468.db2.gz RVYARRSFYVAWFE-QGZVFWFLSA-N -1 3 407.283 3.584 20 0 HHADHM COc1ccc(CN[C@@H](Cc2cc(C)cc(C)c2)C(=O)[O-])c(Br)c1O ZINC000426770893 974647094 /nfs/dbraw/zinc/64/70/94/974647094.db2.gz WZVUDROQHUOYKI-HNNXBMFYSA-N -1 3 408.292 3.566 20 0 HHADHM COc1cc(CN[C@@H](C(=O)[O-])c2ccccc2)cc(Br)c1OC(F)F ZINC000426781687 974654790 /nfs/dbraw/zinc/65/47/90/974654790.db2.gz CRSILKYWKKSTHW-CQSZACIVSA-N -1 3 416.218 3.975 20 0 HHADHM COc1ccc([C@@H](CC(=O)[O-])NCc2ccc(Oc3cnccn3)cc2)cc1OC ZINC000426786883 974659534 /nfs/dbraw/zinc/65/95/34/974659534.db2.gz ZFGOQEAZQPCTNN-GOSISDBHSA-N -1 3 409.442 3.592 20 0 HHADHM Cc1nn(-c2cccc(Cl)c2)c(C)c1[C@H](NCc1ccc2c(c1)ncn2C)C(=O)[O-] ZINC000426798973 974668506 /nfs/dbraw/zinc/66/85/06/974668506.db2.gz KDSWIWAZTNJPCB-NRFANRHFSA-N -1 3 423.904 3.945 20 0 HHADHM CCc1c(C(=O)Nc2cc(Br)ccc2[O-])nnn1Cc1ccc(F)cc1 ZINC000426953448 974775172 /nfs/dbraw/zinc/77/51/72/974775172.db2.gz IHUACRFFITVTOJ-UHFFFAOYSA-N -1 3 419.254 3.748 20 0 HHADHM O=C(CCCc1ccccc1Br)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000427064141 974870166 /nfs/dbraw/zinc/87/01/66/974870166.db2.gz ITCYYZPFWKUNBW-UHFFFAOYSA-N -1 3 400.280 3.514 20 0 HHADHM O=C(CCCc1ccccc1Br)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000427064141 974870171 /nfs/dbraw/zinc/87/01/71/974870171.db2.gz ITCYYZPFWKUNBW-UHFFFAOYSA-N -1 3 400.280 3.514 20 0 HHADHM COc1cccc(Nc2ccccc2C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)c1 ZINC000427065423 974870870 /nfs/dbraw/zinc/87/08/70/974870870.db2.gz TXUIASDRAVXZSI-UHFFFAOYSA-N -1 3 400.442 3.795 20 0 HHADHM COc1cccc(Nc2ccccc2C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)c1 ZINC000427065423 974870874 /nfs/dbraw/zinc/87/08/74/974870874.db2.gz TXUIASDRAVXZSI-UHFFFAOYSA-N -1 3 400.442 3.795 20 0 HHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)[C@@H](c1ccccc1)N1CCc2ccccc21 ZINC000427066822 974872573 /nfs/dbraw/zinc/87/25/73/974872573.db2.gz IPZZWBNTMXNZAB-HSZRJFAPSA-N -1 3 410.481 3.533 20 0 HHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)[C@@H](c1ccccc1)N1CCc2ccccc21 ZINC000427066822 974872578 /nfs/dbraw/zinc/87/25/78/974872578.db2.gz IPZZWBNTMXNZAB-HSZRJFAPSA-N -1 3 410.481 3.533 20 0 HHADHM Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000427074620 974880219 /nfs/dbraw/zinc/88/02/19/974880219.db2.gz PFUMLPVHWMTMAC-UHFFFAOYSA-N -1 3 424.461 3.526 20 0 HHADHM Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000427074620 974880222 /nfs/dbraw/zinc/88/02/22/974880222.db2.gz PFUMLPVHWMTMAC-UHFFFAOYSA-N -1 3 424.461 3.526 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC[C@H]2CC[C@@H](c3ccccc3)O2)c1 ZINC000427151374 974941861 /nfs/dbraw/zinc/94/18/61/974941861.db2.gz VTBGNODTWFGDSG-UTKZUKDTSA-N -1 3 421.453 3.591 20 0 HHADHM COc1ccc(F)c([N-]S(=O)(=O)c2ccc(C)c(I)c2)c1 ZINC000427265225 975013586 /nfs/dbraw/zinc/01/35/86/975013586.db2.gz BDBZELUNUTZKSC-UHFFFAOYSA-N -1 3 421.231 3.548 20 0 HHADHM CN(C(=O)c1cc(=O)c2ccccc2[n-]1)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000427464084 975132133 /nfs/dbraw/zinc/13/21/33/975132133.db2.gz HYKZZDFWYBNLHO-OAQYLSRUSA-N -1 3 404.857 3.833 20 0 HHADHM O=C(Nc1ccc(Cl)cc1[O-])[C@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000427695995 975241758 /nfs/dbraw/zinc/24/17/58/975241758.db2.gz NBRVYXQMKVECOD-OAHLLOKOSA-N -1 3 423.694 3.938 20 0 HHADHM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1cnc2ccsc2c1)c1ccco1 ZINC000427791124 975290714 /nfs/dbraw/zinc/29/07/14/975290714.db2.gz VMIYVDURAJGCSL-LJQANCHMSA-N -1 3 400.481 3.966 20 0 HHADHM CC(C)COC[C@@H]([N-]S(=O)(=O)c1ccc2c(cnn2C(C)C)c1)c1ccco1 ZINC000427847271 975319535 /nfs/dbraw/zinc/31/95/35/975319535.db2.gz UWSQGLSWPNTFCX-GOSISDBHSA-N -1 3 405.520 3.902 20 0 HHADHM CC(C)N1CCCN(Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)CC1 ZINC000428253112 975567197 /nfs/dbraw/zinc/56/71/97/975567197.db2.gz PBVVHEZOJQCYOZ-UHFFFAOYSA-N -1 3 400.523 3.707 20 0 HHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc(Br)c(F)cc3F)nc21 ZINC000428508577 975803627 /nfs/dbraw/zinc/80/36/27/975803627.db2.gz GCFSKAZYCWKRDR-UHFFFAOYSA-N -1 3 410.174 3.643 20 0 HHADHM Cc1cc(C2CCN(C(=O)Cc3c(C)nc(C)[n-]c3=O)CC2)ccc1Br ZINC000428783892 976058873 /nfs/dbraw/zinc/05/88/73/976058873.db2.gz RZGDNURKLRBVEM-UHFFFAOYSA-N -1 3 418.335 3.819 20 0 HHADHM CSCc1nc2ccccc2n1CC(=O)NCc1ccc([O-])c(Br)c1 ZINC000428856756 976146951 /nfs/dbraw/zinc/14/69/51/976146951.db2.gz ONVRSVJIILOFHB-UHFFFAOYSA-N -1 3 420.332 3.684 20 0 HHADHM CC(C)CC(=O)N[C@@H](C(=O)NCc1ccc([O-])c(Br)c1)c1ccccc1 ZINC000428865019 976155483 /nfs/dbraw/zinc/15/54/83/976155483.db2.gz FPTDYUMYRJRDEV-LJQANCHMSA-N -1 3 419.319 3.675 20 0 HHADHM Cc1nn(-c2ccccc2C)c2sc(C(=O)[N-]c3nc4ccc(F)cn4n3)cc12 ZINC000429621554 976908915 /nfs/dbraw/zinc/90/89/15/976908915.db2.gz UYVRIFPWHOQXEF-UHFFFAOYSA-N -1 3 406.446 4.138 20 0 HHADHM CO[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Br)c1ccc(F)cc1 ZINC000429827870 977097832 /nfs/dbraw/zinc/09/78/32/977097832.db2.gz RGLFOSNKLGFZRN-AWEZNQCLSA-N -1 3 422.703 3.908 20 0 HHADHM CO[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Br)c1ccc(F)cc1 ZINC000429827873 977097970 /nfs/dbraw/zinc/09/79/70/977097970.db2.gz RGLFOSNKLGFZRN-CQSZACIVSA-N -1 3 422.703 3.908 20 0 HHADHM CC[C@@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2Br)n[nH]1 ZINC000429876391 977151897 /nfs/dbraw/zinc/15/18/97/977151897.db2.gz HBGLIIHCYUQDLL-BDAKNGLRSA-N -1 3 421.748 3.774 20 0 HHADHM C[C@@H](Cc1ccncc1)NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430606668 977653367 /nfs/dbraw/zinc/65/33/67/977653367.db2.gz XMIRSPIUCSMFLY-JTQLQIEISA-N -1 3 420.694 3.700 20 0 HHADHM C[C@@H]1CCSCCN1C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430615715 977656323 /nfs/dbraw/zinc/65/63/23/977656323.db2.gz CYTAJDOQPXGDHB-SECBINFHSA-N -1 3 415.740 3.912 20 0 HHADHM CCOC[C@@H](NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O)C(C)C ZINC000430628273 977659813 /nfs/dbraw/zinc/65/98/13/977659813.db2.gz VGXZOSLFLSFQED-CQSZACIVSA-N -1 3 415.715 3.735 20 0 HHADHM CCCC[C@H](COC)NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430655389 977671373 /nfs/dbraw/zinc/67/13/73/977671373.db2.gz UNSFPGSDBRVBNM-LLVKDONJSA-N -1 3 415.715 3.879 20 0 HHADHM O=C(c1cc([O-])ccc1Cl)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000430892000 977858418 /nfs/dbraw/zinc/85/84/18/977858418.db2.gz YZXXHBUMZUZAPY-UHFFFAOYSA-N -1 3 415.740 3.828 20 0 HHADHM COC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)c1Cl ZINC000431180410 978079220 /nfs/dbraw/zinc/07/92/20/978079220.db2.gz HBKVMXQBHIKUAC-UHFFFAOYSA-N -1 3 409.769 3.826 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CCC[C@@H](c3ccccc3)C2)cc1OC ZINC000431716930 978455426 /nfs/dbraw/zinc/45/54/26/978455426.db2.gz CTOWQGHNXNQZBI-QGZVFWFLSA-N -1 3 417.531 3.868 20 0 HHADHM O=C1[C@@H](Cc2ccccc2)N(C2CC2)C(=O)N1Cc1ccc([O-])c(Br)c1 ZINC000431869727 978564376 /nfs/dbraw/zinc/56/43/76/978564376.db2.gz GKAFWGVKUGIBNF-QGZVFWFLSA-N -1 3 415.287 3.693 20 0 HHADHM O=C1CCc2cc(Cl)c([N-]S(=O)(=O)c3cc4c(cc3Cl)OCCO4)cc21 ZINC000432075728 978670626 /nfs/dbraw/zinc/67/06/26/978670626.db2.gz FYSOORRSXLTTEX-UHFFFAOYSA-N -1 3 414.266 3.694 20 0 HHADHM COc1ccccc1-c1noc([C@H](C)[N-]S(=O)(=O)CC23CCC(CC2)CC3)n1 ZINC000432223667 978721082 /nfs/dbraw/zinc/72/10/82/978721082.db2.gz QLTYIBLCANFWEA-BQTBQCLESA-N -1 3 405.520 3.696 20 0 HHADHM Cc1nc([C@](C)([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)no1 ZINC000432272475 978738044 /nfs/dbraw/zinc/73/80/44/978738044.db2.gz UIBYSKCOXIAWBU-CQSZACIVSA-N -1 3 409.817 3.654 20 0 HHADHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]CC[C@H](c1ccccc1)C(F)(F)F ZINC000432280610 978742037 /nfs/dbraw/zinc/74/20/37/978742037.db2.gz SDBVSJQQNILBIP-CQSZACIVSA-N -1 3 419.421 3.698 20 0 HHADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]CC[C@@H](c1ccccc1)C(F)(F)F ZINC000432304228 978753801 /nfs/dbraw/zinc/75/38/01/978753801.db2.gz WNNUOARGLPPUAL-HNNXBMFYSA-N -1 3 419.396 3.627 20 0 HHADHM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3cccc4c3OCC[C@H]4N(C)C)cc(Cl)c2O1 ZINC000432480955 978838873 /nfs/dbraw/zinc/83/88/73/978838873.db2.gz XQPBSJMCULAXMT-KPZWWZAWSA-N -1 3 422.934 3.849 20 0 HHADHM CN(C)[C@H]1CCOc2c([N-]S(=O)(=O)c3ccc4c(c3)CC(C)(C)O4)cccc21 ZINC000432493751 978847261 /nfs/dbraw/zinc/84/72/61/978847261.db2.gz MKFVNKACPOMQCP-SFHVURJKSA-N -1 3 402.516 3.586 20 0 HHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1nnc([C@H]2CCCc3ccccc32)s1 ZINC000432577288 978897328 /nfs/dbraw/zinc/89/73/28/978897328.db2.gz YMYSUXBRORXXRW-ZDUSSCGKSA-N -1 3 413.528 3.785 20 0 HHADHM Cc1cc(C(=O)[N-]c2nnc([C@H]3CCCc4ccccc43)s2)nc(C(F)(F)F)n1 ZINC000432616898 978912230 /nfs/dbraw/zinc/91/22/30/978912230.db2.gz MYBXWEDBIQJLAN-ZDUSSCGKSA-N -1 3 419.432 4.376 20 0 HHADHM CN(C)c1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)c3ccccc3)c2)cc1 ZINC000432765193 978965688 /nfs/dbraw/zinc/96/56/88/978965688.db2.gz AYGGZRCBJALVMH-UHFFFAOYSA-N -1 3 409.511 3.830 20 0 HHADHM CN(C)c1ccc(S(=O)(=O)[N-]c2cccc3c2CN(c2nccs2)C3)cc1 ZINC000432779158 978972067 /nfs/dbraw/zinc/97/20/67/978972067.db2.gz JNFVZBDIIMTIPL-UHFFFAOYSA-N -1 3 400.529 3.530 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)Nc3c(C)cccc3CC)c2)[n-]1 ZINC000432898851 979004733 /nfs/dbraw/zinc/00/47/33/979004733.db2.gz SXNNTXAAZHWSIE-UHFFFAOYSA-N -1 3 407.474 3.841 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)Nc3c(C)cccc3CC)c2)n[n-]1 ZINC000432898851 979004739 /nfs/dbraw/zinc/00/47/39/979004739.db2.gz SXNNTXAAZHWSIE-UHFFFAOYSA-N -1 3 407.474 3.841 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)Nc3cc(Cl)ccc3C)c2)[n-]1 ZINC000432899521 979004927 /nfs/dbraw/zinc/00/49/27/979004927.db2.gz DLNMXMLRZHZWNY-UHFFFAOYSA-N -1 3 413.865 3.932 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)Nc3cc(Cl)ccc3C)c2)n[n-]1 ZINC000432899521 979004929 /nfs/dbraw/zinc/00/49/29/979004929.db2.gz DLNMXMLRZHZWNY-UHFFFAOYSA-N -1 3 413.865 3.932 20 0 HHADHM Cn1[n-]c(-c2cccs2)nc1=NS(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000432962882 979026220 /nfs/dbraw/zinc/02/62/20/979026220.db2.gz XWJOSJVMUOWDBS-UHFFFAOYSA-N -1 3 404.904 3.573 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)Nc3ccc(C)cc3OCC)c2)[n-]1 ZINC000433265031 979200038 /nfs/dbraw/zinc/20/00/38/979200038.db2.gz FUUCJGDYPSNKJE-UHFFFAOYSA-N -1 3 423.473 3.677 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)Nc3ccc(C)cc3OCC)c2)n[n-]1 ZINC000433265031 979200041 /nfs/dbraw/zinc/20/00/41/979200041.db2.gz FUUCJGDYPSNKJE-UHFFFAOYSA-N -1 3 423.473 3.677 20 0 HHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)c1cc(O)ccc1Cl ZINC000433352681 979253529 /nfs/dbraw/zinc/25/35/29/979253529.db2.gz JRNDXYUSVDRPER-UHFFFAOYSA-N -1 3 408.785 3.688 20 0 HHADHM CSC1(C[N-]S(=O)(=O)c2ccc(Br)cc2C(F)(F)F)CC1 ZINC000433362157 979256209 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ZINC000436524222 981417458 /nfs/dbraw/zinc/41/74/58/981417458.db2.gz ZNIVOJFMQDMESP-WZONZLPQSA-N -1 3 418.493 3.837 20 0 HHADHM CC(C)C[C@H]1COCCN1C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436524265 981417493 /nfs/dbraw/zinc/41/74/93/981417493.db2.gz FZMYAPPULSFAOS-RBBKRZOGSA-N -1 3 410.514 3.527 20 0 HHADHM Cc1nc(CNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)sc1C ZINC000436525956 981418330 /nfs/dbraw/zinc/41/83/30/981418330.db2.gz HRXAWOUINQLOBF-IBGZPJMESA-N -1 3 409.511 3.643 20 0 HHADHM O=C(NC[C@H]1CC(=O)N(Cc2ccccc2)C1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436527251 981420358 /nfs/dbraw/zinc/42/03/58/981420358.db2.gz SUSOXSQVNBTGSF-LJQANCHMSA-N -1 3 416.477 3.963 20 0 HHADHM CC[C@H](NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1nccs1 ZINC000436527737 981421014 /nfs/dbraw/zinc/42/10/14/981421014.db2.gz UYJRBTZMIQOPMD-RBUKOAKNSA-N -1 3 409.511 3.977 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCCOCc1ccccc1 ZINC000436531006 981423537 /nfs/dbraw/zinc/42/35/37/981423537.db2.gz VCKXVODIPIQDFN-QHCPKHFHSA-N -1 3 418.493 3.586 20 0 HHADHM CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436531709 981423557 /nfs/dbraw/zinc/42/35/57/981423557.db2.gz DNJXBKVAEZMVNV-KBXCAEBGSA-N -1 3 400.500 3.614 20 0 HHADHM CCCOc1ccc(NC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c(C)c1 ZINC000436535378 981426640 /nfs/dbraw/zinc/42/66/40/981426640.db2.gz KEISKMXYAYWTBZ-UHFFFAOYSA-N -1 3 411.502 3.916 20 0 HHADHM CC(C)(C)[C@@H]1C[C@H](NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCO1 ZINC000436536741 981427605 /nfs/dbraw/zinc/42/76/05/981427605.db2.gz QAYWZZAQEHVDSD-FCEUIQTBSA-N -1 3 424.541 3.963 20 0 HHADHM COC(=O)CN(CCc1ccc(Cl)cc1Cl)C(=O)c1ccc(OC)cc1[O-] ZINC000436539381 981429030 /nfs/dbraw/zinc/42/90/30/981429030.db2.gz SWAXVSCXPJYHMR-UHFFFAOYSA-N -1 3 412.269 3.566 20 0 HHADHM CS(=O)(=O)Cc1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])cc1 ZINC000436540848 981430340 /nfs/dbraw/zinc/43/03/40/981430340.db2.gz UMEGCPDWLSVQHQ-UHFFFAOYSA-N -1 3 411.479 3.768 20 0 HHADHM COc1ccc(NC(=O)c2cc3c(cc2[O-])OCO3)cc1NC(=O)C1CCCCC1 ZINC000436542894 981431784 /nfs/dbraw/zinc/43/17/84/981431784.db2.gz BSIKVHXRTMIPIB-UHFFFAOYSA-N -1 3 412.442 3.901 20 0 HHADHM Cn1c2ccccc2nc1[C@@H](NC(=O)c1cc2c(cc1[O-])OCO2)c1ccccc1 ZINC000436548328 981434946 /nfs/dbraw/zinc/43/49/46/981434946.db2.gz QPXIMFJZDCKUSE-NRFANRHFSA-N -1 3 401.422 3.527 20 0 HHADHM O=C(Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1)c1cc(F)ccc1[O-] ZINC000436548434 981435438 /nfs/dbraw/zinc/43/54/38/981435438.db2.gz BZLTVMHKCYKYSA-UHFFFAOYSA-N -1 3 406.461 3.501 20 0 HHADHM O=C(N[C@H](CC(=O)N1CCC(C(F)F)CC1)c1ccccc1)c1ccc([O-])cc1 ZINC000436552769 981437910 /nfs/dbraw/zinc/43/79/10/981437910.db2.gz BBVDRJBSKJWSOI-LJQANCHMSA-N -1 3 402.441 3.757 20 0 HHADHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000436553776 981439424 /nfs/dbraw/zinc/43/94/24/981439424.db2.gz HAFVGCVRFNBHNG-FQEVSTJZSA-N -1 3 423.900 3.716 20 0 HHADHM COCCC1(CNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCC1 ZINC000436553738 981439616 /nfs/dbraw/zinc/43/96/16/981439616.db2.gz CMPDLKIKZAKEFB-OAQYLSRUSA-N -1 3 410.514 3.576 20 0 HHADHM O=C(CCc1cccc(OC2CCCC2)c1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436554630 981440086 /nfs/dbraw/zinc/44/00/86/981440086.db2.gz GNSQYAICYDRZHV-UHFFFAOYSA-N -1 3 422.525 3.631 20 0 HHADHM Cc1ccc(C(=O)Nc2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)c([O-])c1C ZINC000436556869 981441642 /nfs/dbraw/zinc/44/16/42/981441642.db2.gz MLFPPKHFWYBXJE-UHFFFAOYSA-N -1 3 417.512 3.756 20 0 HHADHM CCN1CCN([C@@H]2CCN(C(=O)c3cc(-c4ccccc4)cc(Cl)c3[O-])C2)CC1 ZINC000436556909 981441721 /nfs/dbraw/zinc/44/17/21/981441721.db2.gz MTMZZZHXLZTMOW-LJQANCHMSA-N -1 3 413.949 3.565 20 0 HHADHM COc1ccc(O)c(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC000436558782 981443105 /nfs/dbraw/zinc/44/31/05/981443105.db2.gz XHSDUHHINXMJQA-LJQANCHMSA-N -1 3 406.438 3.606 20 0 HHADHM C[C@@H]1CN(C)CCN1C(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436558924 981443427 /nfs/dbraw/zinc/44/34/27/981443427.db2.gz RQCKCJRGGBEHFX-GFCCVEGCSA-N -1 3 422.312 3.727 20 0 HHADHM CC1(C)C[C@H](NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C(C)(C)O1 ZINC000436559622 981444179 /nfs/dbraw/zinc/44/41/79/981444179.db2.gz ALPLIYQJUQWRDX-PMACEKPBSA-N -1 3 410.514 3.716 20 0 HHADHM Cc1cc(CN2C(=O)c3ccccc3C2=O)cc(C(=O)N(C)c2ccc(F)cc2)c1[O-] ZINC000436560503 981444825 /nfs/dbraw/zinc/44/48/25/981444825.db2.gz FZMBLYUDUBZDGN-UHFFFAOYSA-N -1 3 418.424 3.913 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H](C(F)(F)F)[C@@H]2C)c1 ZINC000436560942 981445507 /nfs/dbraw/zinc/44/55/07/981445507.db2.gz DMVRCHLPUMOIJX-ZUZCIYMTSA-N -1 3 411.380 3.744 20 0 HHADHM CC[C@H](C)n1nc(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cc1C ZINC000436564720 981447922 /nfs/dbraw/zinc/44/79/22/981447922.db2.gz RWSWKBJGVZLGMQ-HRAATJIYSA-N -1 3 420.513 4.368 20 0 HHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCNC(=O)C[C@H]1c1ccccc1 ZINC000436566242 981448784 /nfs/dbraw/zinc/44/87/84/981448784.db2.gz WWRIDCLBRPFASO-QFIPXVFZSA-N -1 3 400.478 3.686 20 0 HHADHM NC(=O)CCOc1ccccc1NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436567040 981449170 /nfs/dbraw/zinc/44/91/70/981449170.db2.gz WODAOUXXPORNSN-UHFFFAOYSA-N -1 3 404.466 3.684 20 0 HHADHM CS(=O)(=O)Nc1ccc(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])cc1 ZINC000436572200 981451897 /nfs/dbraw/zinc/45/18/97/981451897.db2.gz DNNNYTWABDSMJF-UHFFFAOYSA-N -1 3 410.495 3.801 20 0 HHADHM COc1cc(C(=O)N(C)C)ccc1NC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436573676 981453243 /nfs/dbraw/zinc/45/32/43/981453243.db2.gz KCLSNVZCALIRJV-UHFFFAOYSA-N -1 3 420.465 3.934 20 0 HHADHM Cn1c2ccc(NC(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])cc2nc1C(C)(C)C ZINC000436584174 981460093 /nfs/dbraw/zinc/46/00/93/981460093.db2.gz PIMDNZKMAZALRM-LJQANCHMSA-N -1 3 420.513 3.820 20 0 HHADHM COCCC1(CNC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])CCCCC1 ZINC000436583524 981460161 /nfs/dbraw/zinc/46/01/61/981460161.db2.gz NZFRLVHNOZGIOE-UHFFFAOYSA-N -1 3 415.490 3.658 20 0 HHADHM CN(C(=O)c1cc(CCc2ccccc2)ccc1[O-])[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000436588829 981462660 /nfs/dbraw/zinc/46/26/60/981462660.db2.gz ODPCBDNFTFRHBP-RBBKRZOGSA-N -1 3 415.555 3.605 20 0 HHADHM O=C(NC1CCN(C(=O)c2ccoc2)CC1)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436593380 981464839 /nfs/dbraw/zinc/46/48/39/981464839.db2.gz AZPNTUAYURVYDY-UHFFFAOYSA-N -1 3 418.493 3.805 20 0 HHADHM CNC(=O)c1ccc(CN(C)C(=O)c2cc(CCc3ccccc3)ccc2[O-])cc1 ZINC000436595027 981465673 /nfs/dbraw/zinc/46/56/73/981465673.db2.gz HKKSAEOYGIZNIZ-UHFFFAOYSA-N -1 3 402.494 3.809 20 0 HHADHM CN(C)C(=O)c1cccc(CNC(=O)c2cc(CCc3ccccc3)ccc2[O-])c1 ZINC000436597053 981466388 /nfs/dbraw/zinc/46/63/88/981466388.db2.gz OSHBTARHJKFDHQ-UHFFFAOYSA-N -1 3 402.494 3.809 20 0 HHADHM CNS(=O)(=O)c1cccc(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])c1C ZINC000436597803 981466759 /nfs/dbraw/zinc/46/67/59/981466759.db2.gz WXSYMGSSPYUTNY-UHFFFAOYSA-N -1 3 412.467 3.653 20 0 HHADHM Cc1cn(-c2ncccc2F)nc1NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436599849 981467379 /nfs/dbraw/zinc/46/73/79/981467379.db2.gz CMUZRSKLIMKLCA-UHFFFAOYSA-N -1 3 402.429 4.264 20 0 HHADHM O=C(NCc1nccn1CC(F)(F)F)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436602016 981468554 /nfs/dbraw/zinc/46/85/54/981468554.db2.gz JKQUFRHBUYDPPI-UHFFFAOYSA-N -1 3 403.404 3.866 20 0 HHADHM CC[C@H](NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(Cl)cc1 ZINC000436606643 981470946 /nfs/dbraw/zinc/47/09/46/981470946.db2.gz HUBLAEPWPUWVCU-SFHVURJKSA-N -1 3 401.894 3.664 20 0 HHADHM COc1ccc(OC)c(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC000436609991 981472934 /nfs/dbraw/zinc/47/29/34/981472934.db2.gz WVMKFMWYQGBRCS-FQEVSTJZSA-N -1 3 420.465 3.909 20 0 HHADHM CCN(CC)C(=O)C1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000436615912 981475879 /nfs/dbraw/zinc/47/58/79/981475879.db2.gz HRMCFKTWJOEGOL-UHFFFAOYSA-N -1 3 408.542 3.898 20 0 HHADHM CCOc1ccc(CN(CCCn2ccnc2)C(=O)c2ccc(OC)cc2[O-])cc1 ZINC000436619096 981477791 /nfs/dbraw/zinc/47/77/91/981477791.db2.gz USAOKLSFKKTMGZ-UHFFFAOYSA-N -1 3 409.486 3.729 20 0 HHADHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000436623959 981480162 /nfs/dbraw/zinc/48/01/62/981480162.db2.gz IATPJYVEZDFNHV-NRFANRHFSA-N -1 3 410.489 3.617 20 0 HHADHM Cc1ccnc(Oc2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])cc2)n1 ZINC000436624635 981480825 /nfs/dbraw/zinc/48/08/25/981480825.db2.gz KJZMXIFFHUAUGB-IBGZPJMESA-N -1 3 418.453 3.526 20 0 HHADHM CC(=O)c1ccc(C(=O)Nc2cccc(NC(=O)NCc3ccncc3)c2)cc1[O-] ZINC000436624490 981480836 /nfs/dbraw/zinc/48/08/36/981480836.db2.gz BPQYROVJJALXEU-UHFFFAOYSA-N -1 3 404.426 3.564 20 0 HHADHM Cc1ccc(NC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1-c1ncco1 ZINC000436625084 981480893 /nfs/dbraw/zinc/48/08/93/981480893.db2.gz NUBMYRFATIRMMO-UHFFFAOYSA-N -1 3 420.469 3.782 20 0 HHADHM Cc1cc(Br)ccc1NC(=O)CNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436627901 981482548 /nfs/dbraw/zinc/48/25/48/981482548.db2.gz VUQVRSIFFVSNCY-UHFFFAOYSA-N -1 3 405.292 3.955 20 0 HHADHM Cc1cc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])ccc1OCC(F)(F)F ZINC000436628262 981482640 /nfs/dbraw/zinc/48/26/40/981482640.db2.gz XXGJIUWMMBKOIW-MRXNPFEDSA-N -1 3 422.403 3.885 20 0 HHADHM CC1(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)Cc2ccccc2C1 ZINC000436630484 981483714 /nfs/dbraw/zinc/48/37/14/981483714.db2.gz OAGUFNKDYMFKHG-QHCPKHFHSA-N -1 3 414.505 3.927 20 0 HHADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000436636285 981486471 /nfs/dbraw/zinc/48/64/71/981486471.db2.gz QNLIUSUXEXIWDJ-GOSISDBHSA-N -1 3 419.308 3.889 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc(OCc3ccccn3)c(F)c2)c([O-])c1 ZINC000436639717 981488983 /nfs/dbraw/zinc/48/89/83/981488983.db2.gz QOQGJQWMOZBETC-UHFFFAOYSA-N -1 3 423.444 3.572 20 0 HHADHM Cc1cccc(C2(C(=O)NC3CCN(C(=O)c4ccccc4[O-])CC3)CCCC2)c1 ZINC000436646810 981491095 /nfs/dbraw/zinc/49/10/95/981491095.db2.gz HQXFNIQQRVOJJB-UHFFFAOYSA-N -1 3 406.526 3.933 20 0 HHADHM O=C(Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1)c1c([O-])cccc1O ZINC000436649202 981491666 /nfs/dbraw/zinc/49/16/66/981491666.db2.gz UBCDAZABAXWLQX-UHFFFAOYSA-N -1 3 419.405 3.602 20 0 HHADHM O=C(CCc1nc[nH]n1)Nc1ccc(NC(=O)c2cc(Cl)ccc2[O-])c(Cl)c1 ZINC000436655080 981493996 /nfs/dbraw/zinc/49/39/96/981493996.db2.gz CAOCCWXZMVQUAL-UHFFFAOYSA-N -1 3 420.256 3.641 20 0 HHADHM Cn1cc(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c(C2CC2)n1 ZINC000436656183 981494685 /nfs/dbraw/zinc/49/46/85/981494685.db2.gz PEOQYAVQIJFCAC-LJQANCHMSA-N -1 3 404.470 3.503 20 0 HHADHM O=C(c1cc2c(ccc(Cl)c2Cl)[nH]1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436660264 981497101 /nfs/dbraw/zinc/49/71/01/981497101.db2.gz RZDWUHFOPKUNGA-UHFFFAOYSA-N -1 3 418.280 3.779 20 0 HHADHM O=C(Nc1nc(-c2cccc(F)c2)cs1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436662600 981498528 /nfs/dbraw/zinc/49/85/28/981498528.db2.gz JHBBLVPOWHYPGK-KRWDZBQOSA-N -1 3 411.458 3.898 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)N[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)c([O-])c1 ZINC000436664167 981499329 /nfs/dbraw/zinc/49/93/29/981499329.db2.gz HXXRTVSKDIZWBG-WBVHZDCISA-N -1 3 406.404 3.512 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)Nc2cccc(OCC(F)(F)F)c2C)c([O-])c1 ZINC000436668696 981501353 /nfs/dbraw/zinc/50/13/53/981501353.db2.gz ZBQWKUQUJFVSJE-UHFFFAOYSA-N -1 3 410.392 3.709 20 0 HHADHM COc1ccc([C@H](C)N(C)C(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])cc1 ZINC000436672520 981504027 /nfs/dbraw/zinc/50/40/27/981504027.db2.gz DUGVFHFYUUVMGN-ZDUSSCGKSA-N -1 3 409.442 3.783 20 0 HHADHM CCN(Cc1ccc(OC)cc1)C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000436673729 981504824 /nfs/dbraw/zinc/50/48/24/981504824.db2.gz KUINNOSTBRHTFN-UHFFFAOYSA-N -1 3 409.442 3.612 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(OC(C)C)cc2)c1 ZINC000436674174 981505368 /nfs/dbraw/zinc/50/53/68/981505368.db2.gz OJXONQMPEMZFCH-UHFFFAOYSA-N -1 3 409.442 3.658 20 0 HHADHM CCc1ccc([C@H]2CCCN(C(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])C2)cc1 ZINC000436685259 981511712 /nfs/dbraw/zinc/51/17/12/981511712.db2.gz LFOZPGFOBFCEHS-RBBKRZOGSA-N -1 3 406.526 3.965 20 0 HHADHM Cc1ccc(C(=O)NCCc2nc(-c3cccc(Br)c3C)no2)c([O-])c1 ZINC000436686699 981512482 /nfs/dbraw/zinc/51/24/82/981512482.db2.gz PFEFHABAZHOTKE-UHFFFAOYSA-N -1 3 416.275 3.794 20 0 HHADHM Cc1ccc(C(=O)NCCc2nc(-c3cc(Br)ccc3C)no2)c([O-])c1 ZINC000436688535 981513127 /nfs/dbraw/zinc/51/31/27/981513127.db2.gz UCBKZKJNIOTMHW-UHFFFAOYSA-N -1 3 416.275 3.794 20 0 HHADHM C[C@@H](NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1ccncc1F ZINC000436692963 981516038 /nfs/dbraw/zinc/51/60/38/981516038.db2.gz ZGGFTNQAHISHFF-QVKFZJNVSA-N -1 3 407.445 3.665 20 0 HHADHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CCc2c(ccc(Cl)c2Cl)C1 ZINC000436699948 981519812 /nfs/dbraw/zinc/51/98/12/981519812.db2.gz XQKSNVYZTYMSDT-KRWDZBQOSA-N -1 3 419.308 3.889 20 0 HHADHM O=C(CCSc1cccc(Cl)c1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436704318 981521514 /nfs/dbraw/zinc/52/15/14/981521514.db2.gz OJNYWIHDUWZCRX-UHFFFAOYSA-N -1 3 404.919 3.512 20 0 HHADHM Cc1nc2c(c(=O)[nH]n2C)c(C)c1CNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436705240 981522228 /nfs/dbraw/zinc/52/22/28/981522228.db2.gz OMMPKPCAINZOAB-UHFFFAOYSA-N -1 3 416.481 3.517 20 0 HHADHM O=C(N[C@@H](c1ccccc1)C1CCCC1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436709132 981523532 /nfs/dbraw/zinc/52/35/32/981523532.db2.gz LYEHVNHPIIDZSY-QFIPXVFZSA-N -1 3 407.514 3.791 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1cccc(CCCO)c1 ZINC000436713532 981526097 /nfs/dbraw/zinc/52/60/97/981526097.db2.gz CCLOOMMUMVVLOD-QHCPKHFHSA-N -1 3 418.493 3.817 20 0 HHADHM O=C(N[C@@H]1CCCC[C@@H]1c1ccccc1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436714126 981526736 /nfs/dbraw/zinc/52/67/36/981526736.db2.gz HGGIXQMIPGJKIY-FGZHOGPDSA-N -1 3 407.514 3.586 20 0 HHADHM Cc1ccc(-c2nnc(NC(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])s2)c(C)c1 ZINC000436714191 981526944 /nfs/dbraw/zinc/52/69/44/981526944.db2.gz LJYVWDLMXRSHSB-KRWDZBQOSA-N -1 3 422.510 3.771 20 0 HHADHM Cc1cc(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c2nccc(C)c2c1 ZINC000436716739 981528071 /nfs/dbraw/zinc/52/80/71/981528071.db2.gz QVQRCJLPPQAHOF-UHFFFAOYSA-N -1 3 403.482 3.592 20 0 HHADHM O=C(N[C@@H]1CCCC[C@@H]1c1ccccc1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436716552 981528301 /nfs/dbraw/zinc/52/83/01/981528301.db2.gz QPXWIQMVGCPXGS-TZIWHRDSSA-N -1 3 407.514 3.586 20 0 HHADHM Cc1csc(-c2cccc(NC(=O)N3CCN(C(=O)c4ccccc4[O-])CC3)c2)n1 ZINC000436719575 981529464 /nfs/dbraw/zinc/52/94/64/981529464.db2.gz AKEDMWPTAZNUGT-UHFFFAOYSA-N -1 3 422.510 3.814 20 0 HHADHM C[C@H](CC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(C(F)(F)F)cc1 ZINC000436731190 981536256 /nfs/dbraw/zinc/53/62/56/981536256.db2.gz ZWVHDOCFYQZULH-OAHLLOKOSA-N -1 3 420.431 3.889 20 0 HHADHM CC(C)c1ccc(C(=O)N2CCN(C(=O)c3c(F)cccc3Cl)CC2)c([O-])c1 ZINC000436733949 981537540 /nfs/dbraw/zinc/53/75/40/981537540.db2.gz ZUSOVOACLIBDFZ-UHFFFAOYSA-N -1 3 404.869 3.906 20 0 HHADHM Cc1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(O)cc2[O-])c(Br)c1 ZINC000436740808 981540215 /nfs/dbraw/zinc/54/02/15/981540215.db2.gz RLENUVHYQFAVEN-INIZCTEOSA-N -1 3 420.303 3.990 20 0 HHADHM CC(C)[C@H](NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccccc1Cl ZINC000436743842 981541586 /nfs/dbraw/zinc/54/15/86/981541586.db2.gz YTUZYXACYYEWCX-FQEVSTJZSA-N -1 3 415.921 3.910 20 0 HHADHM COc1ccccc1[C@H](CNC(=O)c1cc(Cl)c([O-])c(OC)c1)N1CCCC1 ZINC000436744768 981542052 /nfs/dbraw/zinc/54/20/52/981542052.db2.gz PNEJGVCVQABTID-KRWDZBQOSA-N -1 3 404.894 3.630 20 0 HHADHM O=C(Nc1nccs1)[C@H]1CCCN1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436755812 981547629 /nfs/dbraw/zinc/54/76/29/981547629.db2.gz ADXNZIYMFZGDOZ-LJQANCHMSA-N -1 3 421.522 3.877 20 0 HHADHM O=C(Nc1cc(Cl)ccc1NC(=O)c1cc2c(cc1[O-])OCO2)c1ccco1 ZINC000436759466 981549828 /nfs/dbraw/zinc/54/98/28/981549828.db2.gz BOQQTVMBGRQBTI-UHFFFAOYSA-N -1 3 400.774 3.872 20 0 HHADHM Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436762251 981550794 /nfs/dbraw/zinc/55/07/94/981550794.db2.gz BHXUPRCVHYOQAK-QFIPXVFZSA-N -1 3 419.525 3.741 20 0 HHADHM COc1ccc([C@@H](CNC(=O)c2cc(Cl)c([O-])c(OC)c2)N2CCCC2)cc1 ZINC000436765665 981552874 /nfs/dbraw/zinc/55/28/74/981552874.db2.gz QLWUCUBBAYNANM-GOSISDBHSA-N -1 3 404.894 3.630 20 0 HHADHM COc1ccc([C@H](CNC(=O)c2cc(Cl)c([O-])c(OC)c2)N2CCCC2)cc1 ZINC000436765669 981553007 /nfs/dbraw/zinc/55/30/07/981553007.db2.gz QLWUCUBBAYNANM-SFHVURJKSA-N -1 3 404.894 3.630 20 0 HHADHM O=C(Nc1cccc(CCC(F)(F)F)c1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436770973 981554464 /nfs/dbraw/zinc/55/44/64/981554464.db2.gz RKOYKLZILVRTHT-UHFFFAOYSA-N -1 3 421.419 3.877 20 0 HHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@@H]3c4ccccc4O[C@H]3C)cs2)c1 ZINC000436773954 981556066 /nfs/dbraw/zinc/55/60/66/981556066.db2.gz LLJLQSDGPNYLSG-RBZFPXEDSA-N -1 3 423.494 3.590 20 0 HHADHM O=C(c1occc1CSc1ccccc1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436775156 981556127 /nfs/dbraw/zinc/55/61/27/981556127.db2.gz OXAOCNJCYFLBFG-UHFFFAOYSA-N -1 3 422.506 3.876 20 0 HHADHM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000436776952 981557068 /nfs/dbraw/zinc/55/70/68/981557068.db2.gz AYSDITHEEWQUBQ-SFHVURJKSA-N -1 3 410.514 3.576 20 0 HHADHM CC1CCN(c2nnc(SCc3noc(-c4ccccc4[O-])n3)n2C2CC2)CC1 ZINC000436779002 981557463 /nfs/dbraw/zinc/55/74/63/981557463.db2.gz UFHWCFGPXQZOGE-UHFFFAOYSA-N -1 3 412.519 3.897 20 0 HHADHM COc1ccccc1-c1csc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])n1 ZINC000436780727 981558615 /nfs/dbraw/zinc/55/86/15/981558615.db2.gz QCARCABAZWJWOV-QGZVFWFLSA-N -1 3 423.494 3.768 20 0 HHADHM CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2cc(NC(C)=O)ccc2[O-])CC1 ZINC000436785692 981560638 /nfs/dbraw/zinc/56/06/38/981560638.db2.gz ABAOBZZTIXIKQF-HXUWFJFHSA-N -1 3 417.456 3.538 20 0 HHADHM CC[C@@H](Cc1ccccc1Br)NC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000436788108 981561350 /nfs/dbraw/zinc/56/13/50/981561350.db2.gz TTZZZAZVQPQPLH-AWEZNQCLSA-N -1 3 405.292 3.864 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCOC[C@H]1CC1CCC1 ZINC000436790602 981562672 /nfs/dbraw/zinc/56/26/72/981562672.db2.gz HLIXDSZRKNPVPU-GGAORHGYSA-N -1 3 422.525 3.671 20 0 HHADHM CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccc(CC)cc1[O-] ZINC000436797427 981567030 /nfs/dbraw/zinc/56/70/30/981567030.db2.gz NFNVXWJMQLWYQS-UHFFFAOYSA-N -1 3 414.502 3.841 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCc2c(C)oc3ccccc32)c1 ZINC000436816893 981574510 /nfs/dbraw/zinc/57/45/10/981574510.db2.gz QCBXDEABYUMTDW-UHFFFAOYSA-N -1 3 405.410 3.926 20 0 HHADHM CCc1ccc(C(=O)N2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)c([O-])c1 ZINC000436825798 981578218 /nfs/dbraw/zinc/57/82/18/981578218.db2.gz MNLLMDRQYURCLL-UHFFFAOYSA-N -1 3 401.894 3.988 20 0 HHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000436829622 981579781 /nfs/dbraw/zinc/57/97/81/981579781.db2.gz MEINJVRYWOORSF-UHFFFAOYSA-N -1 3 402.498 3.546 20 0 HHADHM CCc1ccc(C(=O)N(CC(=O)Nc2cccc(C)c2C)C[C@@H]2CCCO2)c([O-])c1 ZINC000436832904 981581472 /nfs/dbraw/zinc/58/14/72/981581472.db2.gz UBDJLIQEWVRWIB-IBGZPJMESA-N -1 3 410.514 3.831 20 0 HHADHM O=C(Nc1ccccc1)c1ccc(CN2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436843448 981586203 /nfs/dbraw/zinc/58/62/03/981586203.db2.gz HKZAHMXNQHPILS-UHFFFAOYSA-N -1 3 415.493 3.603 20 0 HHADHM CC(=O)c1ccc(Oc2ccc(C(=O)NCCNC(=O)c3ccc([O-])cc3)cc2)cc1 ZINC000436859292 981595318 /nfs/dbraw/zinc/59/53/18/981595318.db2.gz AOKYPRXLYIUWIC-UHFFFAOYSA-N -1 3 418.449 3.547 20 0 HHADHM CC(C)(C)Cc1nc2cc(NC(=O)NCCNC(=O)c3ccc([O-])cc3)ccc2o1 ZINC000436861457 981596170 /nfs/dbraw/zinc/59/61/70/981596170.db2.gz BFSHXJWPNGWUBD-UHFFFAOYSA-N -1 3 410.474 3.674 20 0 HHADHM C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])c1ccc(-c2ccncc2)cc1 ZINC000436868859 981597327 /nfs/dbraw/zinc/59/73/27/981597327.db2.gz KVMOWNIXTSWFOA-HTAPYJJXSA-N -1 3 415.493 3.936 20 0 HHADHM Cc1cccc(O[C@@H](C)C(=O)N2CCN(C(=O)c3ccc(C(C)C)cc3[O-])CC2)c1 ZINC000436874632 981598776 /nfs/dbraw/zinc/59/87/76/981598776.db2.gz ATAMPOOZUBBBCE-SFHVURJKSA-N -1 3 410.514 3.576 20 0 HHADHM CCc1ccc(-c2nc(CC(=O)NCc3ccccc3Br)no2)c([O-])c1 ZINC000436877666 981599417 /nfs/dbraw/zinc/59/94/17/981599417.db2.gz PXEVESIGJMQENF-UHFFFAOYSA-N -1 3 416.275 3.626 20 0 HHADHM Cc1cc(CN2C(=O)c3ccccc3C2=O)cc(-c2nc(-c3ccn(C)c3)no2)c1[O-] ZINC000436887206 981601745 /nfs/dbraw/zinc/60/17/45/981601745.db2.gz VRTHYGYEZVZFBW-UHFFFAOYSA-N -1 3 414.421 3.552 20 0 HHADHM C[C@H]1CCC[C@@H](OCCCCCC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC000436887984 981602279 /nfs/dbraw/zinc/60/22/79/981602279.db2.gz SAXGCVFLFKTSKY-SIKLNZKXSA-N -1 3 416.562 3.832 20 0 HHADHM O=C(Nc1ccc2nc(C3CC3)oc2c1)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436898223 981605750 /nfs/dbraw/zinc/60/57/50/981605750.db2.gz XAFILWJJLUAYTM-UHFFFAOYSA-N -1 3 420.469 3.837 20 0 HHADHM CN1CCC[C@@H](CNC(=O)C(=O)c2ccc([O-])cc2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000436898532 981606199 /nfs/dbraw/zinc/60/61/99/981606199.db2.gz YNBCTQXETIWYSS-QFBILLFUSA-N -1 3 420.431 3.793 20 0 HHADHM COc1cccc(CN(C)C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC000436900956 981607016 /nfs/dbraw/zinc/60/70/16/981607016.db2.gz FSEKIDYPNQNHHV-HSZRJFAPSA-N -1 3 418.493 3.921 20 0 HHADHM O=C(N[C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436901428 981607701 /nfs/dbraw/zinc/60/77/01/981607701.db2.gz MMPGRDQEJHXPMS-OFNKIYASSA-N -1 3 404.466 3.538 20 0 HHADHM CNS(=O)(=O)c1cccc(-c2noc(-c3cc(Cc4ccccc4)ccc3[O-])n2)c1 ZINC000436905826 981611932 /nfs/dbraw/zinc/61/19/32/981611932.db2.gz OXMDDGUJFXAXAM-UHFFFAOYSA-N -1 3 421.478 3.608 20 0 HHADHM C[C@H]1c2cccn2CCN1C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436914378 981620338 /nfs/dbraw/zinc/62/03/38/981620338.db2.gz LCKFEZLLOXTPJU-UWJYYQICSA-N -1 3 403.482 3.658 20 0 HHADHM CN(C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C1Cc2ccccc2C1 ZINC000436915861 981621333 /nfs/dbraw/zinc/62/13/33/981621333.db2.gz SQOYETOXPXPJQG-XMMPIXPASA-N -1 3 414.505 3.879 20 0 HHADHM O=C(Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)c1csc(Nc2ccccn2)n1 ZINC000436922045 981626246 /nfs/dbraw/zinc/62/62/46/981626246.db2.gz YHTWQFGWGYLNNY-UHFFFAOYSA-N -1 3 413.850 3.678 20 0 HHADHM CC(C)(Oc1ccc(Cl)cc1)C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436948283 981639357 /nfs/dbraw/zinc/63/93/57/981639357.db2.gz UBXYAOUOCSFWBE-UHFFFAOYSA-N -1 3 416.905 3.624 20 0 HHADHM COc1ccc(C)cc1[C@@H](C)NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000436949529 981640044 /nfs/dbraw/zinc/64/00/44/981640044.db2.gz SIVUOVOTOBDPTA-CYBMUJFWSA-N -1 3 409.442 3.749 20 0 HHADHM O=C(CSCc1cccc(Cl)c1)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436949771 981640051 /nfs/dbraw/zinc/64/00/51/981640051.db2.gz ZGIGPSOIWJUTJL-UHFFFAOYSA-N -1 3 418.946 3.700 20 0 HHADHM O=C(NC[C@H]1CCCO1)Nc1ccc(NC(=O)c2ccc3c(c2[O-])CCCC3)cc1 ZINC000436949860 981640719 /nfs/dbraw/zinc/64/07/19/981640719.db2.gz SPZJHTHRLSGUSZ-GOSISDBHSA-N -1 3 409.486 3.824 20 0 HHADHM CC[C@H](NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-])c1nc2ccccc2[nH]1 ZINC000436964570 981652062 /nfs/dbraw/zinc/65/20/62/981652062.db2.gz RLRHHSMZLKLFRY-INIZCTEOSA-N -1 3 419.441 3.698 20 0 HHADHM COc1ccc(CN(C)C(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])cc1C ZINC000436965409 981653072 /nfs/dbraw/zinc/65/30/72/981653072.db2.gz UEXAZVHIXFRBBU-UHFFFAOYSA-N -1 3 409.442 3.530 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2C[C@@H](C)OC[C@H]2c2ccccc2)c1 ZINC000436968107 981654454 /nfs/dbraw/zinc/65/44/54/981654454.db2.gz UXPCODWJZHFNPA-VLIAUNLRSA-N -1 3 421.453 3.543 20 0 HHADHM CSc1ccc(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1Cl ZINC000436975425 981660334 /nfs/dbraw/zinc/66/03/34/981660334.db2.gz KNXJZXOHPHMJON-UHFFFAOYSA-N -1 3 405.907 3.757 20 0 HHADHM CCOc1cccc(NC(=O)Cc2csc(NC(=O)c3cc(C)ccc3[O-])n2)c1 ZINC000436978336 981662868 /nfs/dbraw/zinc/66/28/68/981662868.db2.gz VFYLMGYDCWHVTA-UHFFFAOYSA-N -1 3 411.483 3.989 20 0 HHADHM O=C(Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)c1c[nH]nc1-c1c(F)cccc1F ZINC000436981237 981665208 /nfs/dbraw/zinc/66/52/08/981665208.db2.gz QFNGUKYRXRETSP-UHFFFAOYSA-N -1 3 416.775 3.751 20 0 HHADHM CCCCOc1ccc(C(=O)N2CCN(Cc3csc(CC)n3)CC2)c([O-])c1 ZINC000436981865 981665305 /nfs/dbraw/zinc/66/53/05/981665305.db2.gz VSZVZRPDLPJWAN-UHFFFAOYSA-N -1 3 403.548 3.548 20 0 HHADHM CSCC[C@@H](C)N(C)C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000436983811 981666527 /nfs/dbraw/zinc/66/65/27/981666527.db2.gz XWXRWJWAGKGIAT-CYBMUJFWSA-N -1 3 407.561 3.552 20 0 HHADHM COC1CCC(CCNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC1 ZINC000436983967 981666790 /nfs/dbraw/zinc/66/67/90/981666790.db2.gz BCDMREXMBJKIBF-CKRJSAQMSA-N -1 3 424.541 3.965 20 0 HHADHM C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436985096 981667371 /nfs/dbraw/zinc/66/73/71/981667371.db2.gz CBDNWBNEQBGLKV-OAHLLOKOSA-N -1 3 420.431 3.574 20 0 HHADHM Cc1csc([C@H](C)CNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)n1 ZINC000436985354 981667496 /nfs/dbraw/zinc/66/74/96/981667496.db2.gz OPHBXSBUJWOZCJ-FOIQADDNSA-N -1 3 423.538 3.938 20 0 HHADHM COc1cccc(C(=O)Nc2nc(-c3ccc(CNC(C)=O)s3)c(C)s2)c1[O-] ZINC000436986796 981669059 /nfs/dbraw/zinc/66/90/59/981669059.db2.gz SHLLZXMLJZNSLO-UHFFFAOYSA-N -1 3 417.512 3.783 20 0 HHADHM CC(C)C[C@@]1(CO)CCCN1C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436987643 981669908 /nfs/dbraw/zinc/66/99/08/981669908.db2.gz ULNVHAPAUURSBK-RCZVLFRGSA-N -1 3 424.541 3.653 20 0 HHADHM CCCCOc1ccc(C(=O)N2CC[C@H](CN(CC)CC(F)(F)F)C2)c([O-])c1 ZINC000436989861 981671850 /nfs/dbraw/zinc/67/18/50/981671850.db2.gz SUSKJBHAVKJYOE-OAHLLOKOSA-N -1 3 402.457 3.917 20 0 HHADHM CC(C)Cn1cc(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c2ccccc21 ZINC000436998323 981676249 /nfs/dbraw/zinc/67/62/49/981676249.db2.gz YPNKEGJXAMFNHT-UHFFFAOYSA-N -1 3 405.498 3.601 20 0 HHADHM [O-]c1ccccc1-c1nc(CSc2nc3cc(Br)cnc3[nH]2)no1 ZINC000436999161 981676754 /nfs/dbraw/zinc/67/67/54/981676754.db2.gz LKTLIVOMVNVXMU-UHFFFAOYSA-N -1 3 404.249 3.768 20 0 HHADHM O=C(Nc1ccccc1N1CCCCCC1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000437003014 981679121 /nfs/dbraw/zinc/67/91/21/981679121.db2.gz OGAAVZCCRKOOGA-UHFFFAOYSA-N -1 3 422.529 3.763 20 0 HHADHM COc1ccccc1-c1noc([C@@H](C)[N-]S(=O)(=O)c2cccc3ccccc32)n1 ZINC000437248830 981907662 /nfs/dbraw/zinc/90/76/62/981907662.db2.gz GVCVEHHTDDSDOW-CQSZACIVSA-N -1 3 409.467 3.938 20 0 HHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000437270312 981926321 /nfs/dbraw/zinc/92/63/21/981926321.db2.gz DESCLDCENADROW-RHSMWYFYSA-N -1 3 412.852 3.560 20 0 HHADHM O=C(N[C@@H]1C[C@H]1c1ccc2ccccc2c1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000437291699 981944792 /nfs/dbraw/zinc/94/47/92/981944792.db2.gz OFEKCUSOKISUPZ-BDTNDASRSA-N -1 3 400.478 3.822 20 0 HHADHM O=S(=O)([N-]CCc1nc(C(F)(F)F)cs1)c1csc(-c2ccccc2)n1 ZINC000437338024 981988533 /nfs/dbraw/zinc/98/85/33/981988533.db2.gz DMMWLXDIXBNMRO-UHFFFAOYSA-N -1 3 419.475 3.806 20 0 HHADHM O=S(=O)([N-]CCc1nc(C(F)(F)F)cs1)c1c(Cl)cccc1Cl ZINC000437338932 981989302 /nfs/dbraw/zinc/98/93/02/981989302.db2.gz SVPIZZUWCIXRCE-UHFFFAOYSA-N -1 3 405.250 3.990 20 0 HHADHM CCC[C@@]1(C)CCCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)C1 ZINC000437372602 982018808 /nfs/dbraw/zinc/01/88/08/982018808.db2.gz KINQWRAXOIJCBV-FQEVSTJZSA-N -1 3 407.511 3.997 20 0 HHADHM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc([C@@H](C)N3CCOCC3)cc2)cc1 ZINC000437405838 982049357 /nfs/dbraw/zinc/04/93/57/982049357.db2.gz NBIZUDSCPMDRHA-QGZVFWFLSA-N -1 3 416.543 3.719 20 0 HHADHM CN(C)S(=O)(=O)c1ccc(F)c([N-]C(=O)c2csc(-c3ccc(F)cc3)n2)c1 ZINC000460374267 982152288 /nfs/dbraw/zinc/15/22/88/982152288.db2.gz KOUTWFYEEBWOJR-UHFFFAOYSA-N -1 3 423.466 3.591 20 0 HHADHM Cn1ccnc1Sc1ccc([N-]S(=O)(=O)CCOc2ccc(F)cc2)cc1 ZINC000460429350 982218467 /nfs/dbraw/zinc/21/84/67/982218467.db2.gz UOBSAZZVROGKKA-UHFFFAOYSA-N -1 3 407.492 3.531 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(-n4cncn4)c(C)c3)c2)n1 ZINC000460744667 982503482 /nfs/dbraw/zinc/50/34/82/982503482.db2.gz DQPTYMFUFWJZGL-UHFFFAOYSA-N -1 3 400.442 3.553 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)c1 ZINC000460820097 982572074 /nfs/dbraw/zinc/57/20/74/982572074.db2.gz LZAMTKXRTRFBAC-UHFFFAOYSA-N -1 3 421.425 3.931 20 0 HHADHM Cc1cc(C(=O)NC2CCCC2)ccc1[N-]S(=O)(=O)CCOc1ccc(F)cc1 ZINC000460836005 982585385 /nfs/dbraw/zinc/58/53/85/982585385.db2.gz IZBMMBJNRKBVLA-UHFFFAOYSA-N -1 3 420.506 3.627 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cc(OC)c(OC)cc2F)c(Cl)c1Cl ZINC000460838974 982587511 /nfs/dbraw/zinc/58/75/11/982587511.db2.gz UCFQXVKGJGPZGZ-UHFFFAOYSA-N -1 3 410.250 3.959 20 0 HHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1ccc2noc(-c3ccc(F)cc3)c2c1 ZINC000438189700 982642303 /nfs/dbraw/zinc/64/23/03/982642303.db2.gz UNKUQSOLGDMXHJ-UHFFFAOYSA-N -1 3 414.400 3.990 20 0 HHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1ccc2noc(-c3ccc(F)cc3)c2c1 ZINC000438189700 982642309 /nfs/dbraw/zinc/64/23/09/982642309.db2.gz UNKUQSOLGDMXHJ-UHFFFAOYSA-N -1 3 414.400 3.990 20 0 HHADHM CCc1ncc(S(=O)(=O)[N-]Cc2cccc(COCc3ccccc3)c2)s1 ZINC000460965201 982695100 /nfs/dbraw/zinc/69/51/00/982695100.db2.gz RHHDCZPUWQVVQQ-UHFFFAOYSA-N -1 3 402.541 3.901 20 0 HHADHM CCCn1ccc2ccc(NC(=O)N3CCN(C(=O)c4ccccc4[O-])CC3)cc21 ZINC000438277312 982695547 /nfs/dbraw/zinc/69/55/47/982695547.db2.gz BVIOXTRWQBKMNX-UHFFFAOYSA-N -1 3 406.486 3.747 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@@H]2CCSc3ccccc32)cc1OC ZINC000460987686 982709790 /nfs/dbraw/zinc/70/97/90/982709790.db2.gz JZZNPKLAHQCBFA-OAHLLOKOSA-N -1 3 406.529 3.675 20 0 HHADHM COC(=O)c1cccc2[n-]c(NC(=O)CCc3ncc(-c4ccc(C)cc4)o3)nc21 ZINC000438358218 982743918 /nfs/dbraw/zinc/74/39/18/982743918.db2.gz UOWALUTUZKBSBT-UHFFFAOYSA-N -1 3 404.426 3.884 20 0 HHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(NC(=O)c4ccccc4)cc3)nc21 ZINC000438359235 982744492 /nfs/dbraw/zinc/74/44/92/982744492.db2.gz PPWRTIHPHBIEKH-UHFFFAOYSA-N -1 3 414.421 3.854 20 0 HHADHM CC1(C)CCC[C@@](O)(CNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000438499495 982841671 /nfs/dbraw/zinc/84/16/71/982841671.db2.gz GONPDUMHCPJHOQ-OFVILXPXSA-N -1 3 424.541 3.701 20 0 HHADHM COCCOc1ccccc1S(=O)(=O)[N-]c1c(C)cc(C)cc1Br ZINC000461138434 982842658 /nfs/dbraw/zinc/84/26/58/982842658.db2.gz FOVFXYZXJXUWMT-UHFFFAOYSA-N -1 3 414.321 3.892 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@H](C)CSCc2ccccc2)cc1OC ZINC000438552772 982892839 /nfs/dbraw/zinc/89/28/39/982892839.db2.gz JBZNTKBHLUTCTM-OAHLLOKOSA-N -1 3 422.572 3.965 20 0 HHADHM COc1cc(C(=O)N(C)[C@@H]2CCOc3ccc(Br)cc32)cc(OC)c1[O-] ZINC000438625730 982946539 /nfs/dbraw/zinc/94/65/39/982946539.db2.gz QWVYTRZNOLYRQT-CQSZACIVSA-N -1 3 422.275 3.768 20 0 HHADHM O=C(Nc1cccc(Oc2ccccn2)c1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000438658290 982976152 /nfs/dbraw/zinc/97/61/52/982976152.db2.gz ZLQJXZZZMQDRAA-UHFFFAOYSA-N -1 3 418.453 3.569 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000438683645 982999150 /nfs/dbraw/zinc/99/91/50/982999150.db2.gz VYBHJLRKRLFAQG-CTNGQTDRSA-N -1 3 416.525 3.601 20 0 HHADHM CC[C@H](C)c1ccccc1NC(=O)[C@H](C)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000438697242 983009639 /nfs/dbraw/zinc/00/96/39/983009639.db2.gz PKDNNPXQNPRBHP-ROUUACIJSA-N -1 3 409.530 3.691 20 0 HHADHM O=S(=O)([N-]c1ccc(O[C@H]2CCOC2)cc1)c1ccc(F)c(Br)c1 ZINC000438776053 983063911 /nfs/dbraw/zinc/06/39/11/983063911.db2.gz MPZQGLXHISFNRL-ZDUSSCGKSA-N -1 3 416.268 3.557 20 0 HHADHM CC(C)C1CCN(C(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000461441620 983105949 /nfs/dbraw/zinc/10/59/49/983105949.db2.gz CEOIQFAVEVROCB-UHFFFAOYSA-N -1 3 407.363 3.556 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NC[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000438924461 983156616 /nfs/dbraw/zinc/15/66/16/983156616.db2.gz XXPOALSQNWDURN-GOEBONIOSA-N -1 3 422.451 3.558 20 0 HHADHM C[C@@H]1CCC[C@@H](N(Cc2c(F)cccc2Cl)C(=O)c2[nH]c(=O)[n-]c(=O)c2N)[C@@H]1C ZINC000438925710 983157636 /nfs/dbraw/zinc/15/76/36/983157636.db2.gz MADMLIHXHIEJAM-UEKVPHQBSA-N -1 3 422.888 3.730 20 0 HHADHM C[C@H](c1ccncc1)N1CCC([N-]S(=O)(=O)c2cc(Cl)sc2Cl)CC1 ZINC000438948687 983172925 /nfs/dbraw/zinc/17/29/25/983172925.db2.gz AXPGFADVMFXYAE-LLVKDONJSA-N -1 3 420.387 3.954 20 0 HHADHM CC(C)n1c2ccccc2nc1[C@H](C)NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000439050391 983227918 /nfs/dbraw/zinc/22/79/18/983227918.db2.gz BCAPVWREGCXQSN-OXJNMPFZSA-N -1 3 420.513 3.805 20 0 HHADHM CC(C)n1c2ccccc2nc1[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000439050390 983228140 /nfs/dbraw/zinc/22/81/40/983228140.db2.gz BCAPVWREGCXQSN-JXFKEZNVSA-N -1 3 420.513 3.805 20 0 HHADHM O=C(CCCCc1ccc(Cl)c(Cl)c1)NCCNC(=O)c1ccc([O-])cc1 ZINC000439057307 983231119 /nfs/dbraw/zinc/23/11/19/983231119.db2.gz JUMZAHNISRCWLP-UHFFFAOYSA-N -1 3 409.313 3.958 20 0 HHADHM O=S(=O)([N-]c1ccccc1F)c1c[nH]c(-c2nc([C@@H]3CCC(F)(F)C3)no2)c1 ZINC000439576409 983457717 /nfs/dbraw/zinc/45/77/17/983457717.db2.gz SVAKJVUUFBGDFZ-SNVBAGLBSA-N -1 3 412.393 3.907 20 0 HHADHM CN1CCC[C@@H](CNC(=O)c2nn(-c3ccccc3F)cc2[O-])[C@H]1c1cccs1 ZINC000439826859 983551773 /nfs/dbraw/zinc/55/17/73/983551773.db2.gz ARPNNUOSRZJMOS-XOBRGWDASA-N -1 3 414.506 3.591 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCC([C@H]2CCCO2)CC1 ZINC000439893466 983573415 /nfs/dbraw/zinc/57/34/15/983573415.db2.gz KVFGBENJMPWVFF-XZOQPEGZSA-N -1 3 422.525 3.671 20 0 HHADHM O=C(c1ccccc1[O-])N1CCN(Cc2csc(CCc3ccccc3)n2)CC1 ZINC000440341336 983728326 /nfs/dbraw/zinc/72/83/26/983728326.db2.gz PLFNZWNBLYWPEK-UHFFFAOYSA-N -1 3 407.539 3.592 20 0 HHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)NC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000440701787 983860135 /nfs/dbraw/zinc/86/01/35/983860135.db2.gz MLSLNPZUCFEIHI-UHFFFAOYSA-N -1 3 403.360 3.790 20 0 HHADHM COc1cccc(-c2ccc(CNC(=O)Nc3ccc4c(c3)C(=O)[N-]C4=O)cc2)c1 ZINC000440713285 983865047 /nfs/dbraw/zinc/86/50/47/983865047.db2.gz ODTDRQYSXOGNAJ-UHFFFAOYSA-N -1 3 401.422 3.568 20 0 HHADHM COc1ccc(NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)c(OC)c1OC ZINC000440718660 983866503 /nfs/dbraw/zinc/86/65/03/983866503.db2.gz VITZWEDCHWCVII-UHFFFAOYSA-N -1 3 410.430 3.827 20 0 HHADHM O=C(Nc1ccc(COCc2ccccc2)cc1)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000440807246 983915284 /nfs/dbraw/zinc/91/52/84/983915284.db2.gz UQCJZJQNDHSNHQ-UHFFFAOYSA-N -1 3 401.422 3.931 20 0 HHADHM O=C(CS(=O)(=O)C1CCCC1)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000440941605 983991572 /nfs/dbraw/zinc/99/15/72/983991572.db2.gz RPUKJCRMDONMNX-UHFFFAOYSA-N -1 3 416.524 3.965 20 0 HHADHM CN(CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)Cc1nc(=O)n(C)[n-]1 ZINC000440954560 983996340 /nfs/dbraw/zinc/99/63/40/983996340.db2.gz FCDBYFLFWXUCHM-SFHVURJKSA-N -1 3 420.435 3.769 20 0 HHADHM O=C(CNC(=O)NCc1ccc(Cl)cc1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000440981142 984010492 /nfs/dbraw/zinc/01/04/92/984010492.db2.gz NVNSKUQGVJUYPK-UHFFFAOYSA-N -1 3 401.772 3.502 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N3CCCC[C@@H]3[C@H](C)CC)c2)n1 ZINC000441105079 984070311 /nfs/dbraw/zinc/07/03/11/984070311.db2.gz PVQLUGXDUCBGBS-DNVCBOLYSA-N -1 3 410.518 3.777 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N3CCCC34CCCCC4)c2)n1 ZINC000441398681 984230827 /nfs/dbraw/zinc/23/08/27/984230827.db2.gz WKIWERJXWDIZMY-UHFFFAOYSA-N -1 3 408.502 3.675 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(N(C)CCCOc3cc(OC)cc(OC)c3)nc2)n1 ZINC000441799916 984462212 /nfs/dbraw/zinc/46/22/12/984462212.db2.gz IREMKOMTFADDCR-UHFFFAOYSA-N -1 3 424.501 3.729 20 0 HHADHM Cn1c(=O)n(C)c2cc(NC(=O)CCCc3cc(Cl)sc3Cl)c([O-])cc21 ZINC000461631316 984652333 /nfs/dbraw/zinc/65/23/33/984652333.db2.gz LEQWJVPLOUOXLT-UHFFFAOYSA-N -1 3 414.314 3.912 20 0 HHADHM Cc1cc(C(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)cc(Cl)c1Br ZINC000461634230 984655262 /nfs/dbraw/zinc/65/52/62/984655262.db2.gz XXSPKIQNDWTKSC-UHFFFAOYSA-N -1 3 424.682 3.559 20 0 HHADHM O=C([N-]c1nc(-c2ccc3c(c2)OCCO3)cs1)c1cc(-c2ccccn2)no1 ZINC000461879235 984903825 /nfs/dbraw/zinc/90/38/25/984903825.db2.gz AFLCDWCMGPNKQH-UHFFFAOYSA-N -1 3 406.423 3.884 20 0 HHADHM Cc1ccc(OCc2ccccc2)c(NC(=O)NCCNC(=O)c2ccc([O-])cc2)c1 ZINC000442437882 984938570 /nfs/dbraw/zinc/93/85/70/984938570.db2.gz FXAGMKCVBAJVAV-UHFFFAOYSA-N -1 3 419.481 3.831 20 0 HHADHM CCC[C@H](NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)C(=O)OC(C)(C)C ZINC000462166681 985142950 /nfs/dbraw/zinc/14/29/50/985142950.db2.gz UMUIOVOTBNQIBL-INIZCTEOSA-N -1 3 400.479 3.790 20 0 HHADHM Cc1nc(C)c(Cc2nc(C3(c4cccc(Br)c4)CC3)no2)c(=O)[n-]1 ZINC000442693835 985163650 /nfs/dbraw/zinc/16/36/50/985163650.db2.gz QCVQRQLARVJGQV-UHFFFAOYSA-N -1 3 401.264 3.615 20 0 HHADHM Cc1cc(C[C@@H](C)[N-]S(=O)(=O)c2cnccc2C(F)(F)F)n(-c2ccccc2)n1 ZINC000442734719 985193615 /nfs/dbraw/zinc/19/36/15/985193615.db2.gz GPNFIARINXTMAQ-CQSZACIVSA-N -1 3 424.448 3.504 20 0 HHADHM Cc1ccc([C@H]2OCCC[C@H]2[N-]S(=O)(=O)c2cnccc2C(F)(F)F)cc1 ZINC000442739790 985196331 /nfs/dbraw/zinc/19/63/31/985196331.db2.gz TVOYEXAMKRIBCA-NVXWUHKLSA-N -1 3 400.422 3.607 20 0 HHADHM Cc1ccc2[nH]c3c(c2c1)C[C@@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)CC3 ZINC000442740650 985197360 /nfs/dbraw/zinc/19/73/60/985197360.db2.gz VRKOKZITBCQYLW-LBPRGKRZSA-N -1 3 409.433 3.726 20 0 HHADHM CC[C@@H](C[N-]S(=O)(=O)c1cnccc1C(F)(F)F)Oc1ccccc1Cl ZINC000442746951 985200599 /nfs/dbraw/zinc/20/05/99/985200599.db2.gz VCQCYMVWVHECNV-NSHDSACASA-N -1 3 408.829 3.890 20 0 HHADHM Cc1ccc([C@@H](C[N-]S(=O)(=O)c2cnccc2C(F)(F)F)N2CCCC2)cc1 ZINC000442807777 985221498 /nfs/dbraw/zinc/22/14/98/985221498.db2.gz FPCZFIXZEGMFBU-QGZVFWFLSA-N -1 3 413.465 3.524 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C[C@H](C)Oc1ccc(F)cc1 ZINC000442817568 985226482 /nfs/dbraw/zinc/22/64/82/985226482.db2.gz MJYWIGDQJMHZGX-LBPRGKRZSA-N -1 3 423.487 3.573 20 0 HHADHM COc1cc(C(=O)NCc2ccccc2CN2C[C@@H](C)O[C@@H](C)C2)cc(Cl)c1[O-] ZINC000442859849 985248548 /nfs/dbraw/zinc/24/85/48/985248548.db2.gz VRBDDMQNHADBBD-GASCZTMLSA-N -1 3 418.921 3.593 20 0 HHADHM O=S(=O)(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000442907336 985272547 /nfs/dbraw/zinc/27/25/47/985272547.db2.gz ZISHZZYODGAEOB-MRXNPFEDSA-N -1 3 424.313 3.699 20 0 HHADHM O=S(=O)(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000442907336 985272555 /nfs/dbraw/zinc/27/25/55/985272555.db2.gz ZISHZZYODGAEOB-MRXNPFEDSA-N -1 3 424.313 3.699 20 0 HHADHM O=S(=O)([N-]C1(c2ccc(Br)cc2)CC1)c1cnccc1C(F)(F)F ZINC000442908236 985273508 /nfs/dbraw/zinc/27/35/08/985273508.db2.gz MHGQXLKLIABEQS-UHFFFAOYSA-N -1 3 421.238 3.831 20 0 HHADHM COc1ccccc1[C@@]1(C)C[C@H]1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000462324470 985314146 /nfs/dbraw/zinc/31/41/46/985314146.db2.gz CQKGNDMXZGVYFX-IUODEOHRSA-N -1 3 402.335 3.528 20 0 HHADHM CC[C@H](c1ccccc1)N(CC)S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000442980959 985316215 /nfs/dbraw/zinc/31/62/15/985316215.db2.gz YDYBHXUACGNZBO-QGZVFWFLSA-N -1 3 405.911 3.682 20 0 HHADHM CC[C@H](c1ccccc1)N(CC)S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000442980959 985316235 /nfs/dbraw/zinc/31/62/35/985316235.db2.gz YDYBHXUACGNZBO-QGZVFWFLSA-N -1 3 405.911 3.682 20 0 HHADHM Cc1c2ccccc2oc1[C@@H](C)NS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000442983224 985318131 /nfs/dbraw/zinc/31/81/31/985318131.db2.gz MHHGIDPGLZKQRU-LLVKDONJSA-N -1 3 417.878 3.614 20 0 HHADHM Cc1c2ccccc2oc1[C@@H](C)NS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000442983224 985318139 /nfs/dbraw/zinc/31/81/39/985318139.db2.gz MHHGIDPGLZKQRU-LLVKDONJSA-N -1 3 417.878 3.614 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]Cc1ccccc1OC(C)C ZINC000443018291 985339011 /nfs/dbraw/zinc/33/90/11/985339011.db2.gz CFDDHSJJUZZZOS-UHFFFAOYSA-N -1 3 419.524 3.954 20 0 HHADHM COc1cccc(OCCC[N-]S(=O)(=O)c2sc(C)cc2Br)c1 ZINC000462359259 985347280 /nfs/dbraw/zinc/34/72/80/985347280.db2.gz IAQONKOUMFAECX-UHFFFAOYSA-N -1 3 420.350 3.575 20 0 HHADHM CC(C)[C@@H](C)N1Cc2cccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)c2C1 ZINC000462366436 985353380 /nfs/dbraw/zinc/35/33/80/985353380.db2.gz SJBPZCBTRWEGAL-OAHLLOKOSA-N -1 3 402.516 3.619 20 0 HHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000443070971 985361260 /nfs/dbraw/zinc/36/12/60/985361260.db2.gz PPMBVDPSHXOLNK-LBPRGKRZSA-N -1 3 420.487 3.775 20 0 HHADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000443075321 985363606 /nfs/dbraw/zinc/36/36/06/985363606.db2.gz WSDJWAZBJXSFPO-OAHLLOKOSA-N -1 3 414.936 3.793 20 0 HHADHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2cccc3c2CN([C@H](C)C(C)C)C3)c1 ZINC000462382085 985365344 /nfs/dbraw/zinc/36/53/44/985365344.db2.gz VWWQBDHMVXSUTP-CQSZACIVSA-N -1 3 420.506 3.773 20 0 HHADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@H](CC1CCCCC1)c1ccccc1 ZINC000443080978 985366122 /nfs/dbraw/zinc/36/61/22/985366122.db2.gz UEOQAKWJTHMYEB-MRXNPFEDSA-N -1 3 408.545 3.920 20 0 HHADHM COC(=O)c1nscc1S(=O)(=O)[N-]Cc1ccccc1-c1ccc(Cl)cc1 ZINC000443084352 985367544 /nfs/dbraw/zinc/36/75/44/985367544.db2.gz YHDMDJVNDMKHAR-UHFFFAOYSA-N -1 3 422.915 3.729 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]CCc1cc(C)ccc1OC ZINC000443088955 985369563 /nfs/dbraw/zinc/36/95/63/985369563.db2.gz SZNHPHSVWZXJHC-UHFFFAOYSA-N -1 3 419.524 3.526 20 0 HHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H]1CCc2c1ccc(Cl)c2Cl ZINC000443090616 985370143 /nfs/dbraw/zinc/37/01/43/985370143.db2.gz YORIRYUYSFFVCP-AWEZNQCLSA-N -1 3 418.273 3.885 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]CCO[C@H]1CCCC[C@@H]1C ZINC000443112182 985382128 /nfs/dbraw/zinc/38/21/28/985382128.db2.gz VZVKEZMZHPPTSH-ZFWWWQNUSA-N -1 3 411.545 3.562 20 0 HHADHM CCOC(=O)[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1ccccc1 ZINC000462413035 985387509 /nfs/dbraw/zinc/38/75/09/985387509.db2.gz WLQCTROSHQZGJY-CYBMUJFWSA-N -1 3 402.299 3.619 20 0 HHADHM O=S(=O)([N-][C@H]1CCc2c1cccc2O)c1cc(Br)ccc1Cl ZINC000443220391 985448254 /nfs/dbraw/zinc/44/82/54/985448254.db2.gz VPWQESIXQWPISX-ZDUSSCGKSA-N -1 3 402.697 3.774 20 0 HHADHM O=S(=O)([N-][C@@H]1CCc2c1cccc2O)c1cc(Br)ccc1Cl ZINC000443220388 985448301 /nfs/dbraw/zinc/44/83/01/985448301.db2.gz VPWQESIXQWPISX-CYBMUJFWSA-N -1 3 402.697 3.774 20 0 HHADHM Cc1cc(S(=O)(=O)[N-][C@H](CCCO)c2ccccc2)sc1Br ZINC000443233338 985455049 /nfs/dbraw/zinc/45/50/49/985455049.db2.gz JNYPLMNICYQFDH-CYBMUJFWSA-N -1 3 404.351 3.611 20 0 HHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000443233693 985455640 /nfs/dbraw/zinc/45/56/40/985455640.db2.gz MFEGUPLRNWROIX-LBPRGKRZSA-N -1 3 420.874 3.821 20 0 HHADHM O=S(=O)([N-][C@@H](CC(F)(F)F)c1ccccc1)c1cnn(-c2ccccc2F)c1 ZINC000462550523 985498065 /nfs/dbraw/zinc/49/80/65/985498065.db2.gz LWVRUIJCUOJFEU-INIZCTEOSA-N -1 3 413.396 3.983 20 0 HHADHM O=S(=O)([N-][C@H](CC(F)(F)F)c1ccccc1)c1cnn(-c2ccccc2F)c1 ZINC000462550524 985498163 /nfs/dbraw/zinc/49/81/63/985498163.db2.gz LWVRUIJCUOJFEU-MRXNPFEDSA-N -1 3 413.396 3.983 20 0 HHADHM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000443343769 985508495 /nfs/dbraw/zinc/50/84/95/985508495.db2.gz JSFKAGHNGXCNJT-ZDUSSCGKSA-N -1 3 414.961 3.845 20 0 HHADHM C=Cc1ccc(CCNC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)cc1 ZINC000462566779 985514825 /nfs/dbraw/zinc/51/48/25/985514825.db2.gz APNNWZQJHFUFNC-UHFFFAOYSA-N -1 3 413.474 3.570 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000443364439 985525313 /nfs/dbraw/zinc/52/53/13/985525313.db2.gz GZAVFCSOYPSJDQ-SNVBAGLBSA-N -1 3 421.368 3.550 20 0 HHADHM CC(C)NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc3c2OC(C)(C)C3)c1 ZINC000443408615 985563654 /nfs/dbraw/zinc/56/36/54/985563654.db2.gz UJUDTSQPRWDPDK-UHFFFAOYSA-N -1 3 422.934 3.993 20 0 HHADHM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(OCC(F)(F)F)c(F)c3)ccc2O1 ZINC000443413730 985568932 /nfs/dbraw/zinc/56/89/32/985568932.db2.gz GPMVAVGCLAVACU-JTQLQIEISA-N -1 3 405.369 3.891 20 0 HHADHM O=C(NCc1ncccc1[O-])Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1 ZINC000467946498 985582484 /nfs/dbraw/zinc/58/24/84/985582484.db2.gz BYKUDBYUEJKEPO-UHFFFAOYSA-N -1 3 416.890 3.754 20 0 HHADHM COc1cccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3cc(C)c(F)c(C)c3)n2)c1 ZINC000462652756 985592806 /nfs/dbraw/zinc/59/28/06/985592806.db2.gz DMKSNMRQPYXMHJ-ZDUSSCGKSA-N -1 3 405.451 3.541 20 0 HHADHM C[C@H]([N-]S(=O)(=O)c1cccc(C(F)(F)F)c1)c1nc(-c2cccc(F)c2)no1 ZINC000462655491 985595634 /nfs/dbraw/zinc/59/56/34/985595634.db2.gz BUWOCCAVLSREKW-JTQLQIEISA-N -1 3 415.368 3.934 20 0 HHADHM COc1ccccc1-c1noc([C@H](C)[N-]S(=O)(=O)Cc2ccccc2Cl)n1 ZINC000462659752 985599608 /nfs/dbraw/zinc/59/96/08/985599608.db2.gz QXHUSRRUBFVHIF-LBPRGKRZSA-N -1 3 407.879 3.579 20 0 HHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(OCc2ccccc2)cc1)c1nc(C(C)(C)C)no1 ZINC000462661701 985600715 /nfs/dbraw/zinc/60/07/15/985600715.db2.gz PNTZWYZOEMPRCM-OAHLLOKOSA-N -1 3 415.515 3.986 20 0 HHADHM C[C@H]1C[C@@H]([N-]S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1 ZINC000462701407 985644336 /nfs/dbraw/zinc/64/43/36/985644336.db2.gz HXOSRNNQYMUADB-YVEFUNNKSA-N -1 3 413.326 3.607 20 0 HHADHM O=S(=O)([N-]CCc1ccn(-c2ccc(F)cc2)n1)c1cccc(Cl)c1Cl ZINC000462705886 985649321 /nfs/dbraw/zinc/64/93/21/985649321.db2.gz RUAGPRHKHWTFEZ-UHFFFAOYSA-N -1 3 414.289 3.839 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H]1COc2ccc(Cl)cc21 ZINC000443505767 985677643 /nfs/dbraw/zinc/67/76/43/985677643.db2.gz AHFTYDHXFQBVFK-CYBMUJFWSA-N -1 3 423.899 3.753 20 0 HHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CCN3c4ccccc4CC[C@@H]3C)cc2)n1 ZINC000468047243 985706667 /nfs/dbraw/zinc/70/66/67/985706667.db2.gz AQLMZNSSCJUUTP-KRWDZBQOSA-N -1 3 402.498 3.915 20 0 HHADHM Cc1cc(CN2CCN(C(=O)c3ccccc3[O-])CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000443575711 985750347 /nfs/dbraw/zinc/75/03/47/985750347.db2.gz ATZLCQAUGYWUHU-UHFFFAOYSA-N -1 3 422.916 3.769 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3ccc(COC4CCOCC4)cc3)nc2)n1 ZINC000443885605 986086372 /nfs/dbraw/zinc/08/63/72/986086372.db2.gz AGJZFOAFVTZAIJ-UHFFFAOYSA-N -1 3 420.513 4.114 20 0 HHADHM COC(=O)[C@](C)([N-]S(=O)(=O)CCc1cccs1)c1ccc(Cl)c(Cl)c1 ZINC000443886170 986086826 /nfs/dbraw/zinc/08/68/26/986086826.db2.gz BUOQPQJICKSIBD-MRXNPFEDSA-N -1 3 422.355 3.605 20 0 HHADHM CC(C)(C(=O)N1CCN(C(=O)CCCc2ccc([O-])c(F)c2)CC1)c1ccccc1 ZINC000468399485 986098905 /nfs/dbraw/zinc/09/89/05/986098905.db2.gz LHCUTMKNVGTZAR-UHFFFAOYSA-N -1 3 412.505 3.503 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(C(F)F)cc2)c1 ZINC000463181599 986153616 /nfs/dbraw/zinc/15/36/16/986153616.db2.gz CDKRSUFZYDMTFW-UHFFFAOYSA-N -1 3 401.369 3.809 20 0 HHADHM CC(C)(C)[C@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)CCO1 ZINC000468521571 986226202 /nfs/dbraw/zinc/22/62/02/986226202.db2.gz DVUJPDWCZDYGML-LJQANCHMSA-N -1 3 420.506 3.514 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N(C)CC2(c3ccccc3)CC2)cc1OC ZINC000444053398 986252551 /nfs/dbraw/zinc/25/25/51/986252551.db2.gz JBKFXNFZTSIZCH-UHFFFAOYSA-N -1 3 417.531 3.652 20 0 HHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N(CCCOc1ccccc1)C1CCOCC1 ZINC000468602505 986314422 /nfs/dbraw/zinc/31/44/22/986314422.db2.gz QAHCNYBITAVLSY-UHFFFAOYSA-N -1 3 406.482 3.618 20 0 HHADHM C[C@H]([N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl)c1ccon1 ZINC000444208350 986389356 /nfs/dbraw/zinc/38/93/56/986389356.db2.gz ACLVDFTUFRFPAY-LURJTMIESA-N -1 3 400.081 3.783 20 0 HHADHM O=S(=O)([N-]C[C@]1(O)CCC[C@@H](C(F)(F)F)C1)c1c(Cl)cccc1Cl ZINC000444219224 986402947 /nfs/dbraw/zinc/40/29/47/986402947.db2.gz HPBGWFHZECPKIR-RNCFNFMXSA-N -1 3 406.253 3.755 20 0 HHADHM CCO[C@@H](C)c1noc(CN(C)Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)n1 ZINC000444235859 986424688 /nfs/dbraw/zinc/42/46/88/986424688.db2.gz GOPBAZPUSMOHFK-NSHDSACASA-N -1 3 415.475 3.769 20 0 HHADHM COC[C@@H](C)[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000463465267 986443741 /nfs/dbraw/zinc/44/37/41/986443741.db2.gz VZCAJSRTXKLRSC-IAGOWNOFSA-N -1 3 404.532 3.961 20 0 HHADHM CC[C@@H](c1ccncc1)N(C)C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000444264441 986460868 /nfs/dbraw/zinc/46/08/68/986460868.db2.gz ZFRVZELYRMFCLN-KRWDZBQOSA-N -1 3 400.276 3.909 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@H]3CC[C@H](C)C3)c2)cc1 ZINC000444312638 986495092 /nfs/dbraw/zinc/49/50/92/986495092.db2.gz CJKRFUCWFWTXMP-YOEHRIQHSA-N -1 3 402.516 3.723 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)C1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000444334571 986512149 /nfs/dbraw/zinc/51/21/49/986512149.db2.gz HXUFKIGECRNTDI-UHFFFAOYSA-N -1 3 412.721 3.844 20 0 HHADHM CC(C)(CNC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(C(F)(F)F)cc1 ZINC000468836580 986547186 /nfs/dbraw/zinc/54/71/86/986547186.db2.gz GDFZMEHZNANZKF-UHFFFAOYSA-N -1 3 405.376 3.688 20 0 HHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccnc(N4CCC[C@H](C)C4)c3)cc2)n1 ZINC000463576304 986552971 /nfs/dbraw/zinc/55/29/71/986552971.db2.gz UPYYSDXRCVLRHP-HNNXBMFYSA-N -1 3 403.486 3.629 20 0 HHADHM COC(=O)C[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccc(SC)cc1 ZINC000468845801 986555921 /nfs/dbraw/zinc/55/59/21/986555921.db2.gz GROIZAWUFKDBAP-GOSISDBHSA-N -1 3 405.491 3.997 20 0 HHADHM COC(=O)[C@@H](C)[C@@H](NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)c1ccccc1 ZINC000444392150 986568241 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O=C(CCCc1ccc([O-])c(F)c1)NCc1cccc(COC2CCOCC2)c1 ZINC000469016729 986725122 /nfs/dbraw/zinc/72/51/22/986725122.db2.gz OEZKBAMKLMXJOS-UHFFFAOYSA-N -1 3 401.478 3.866 20 0 HHADHM CC[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000469031223 986741208 /nfs/dbraw/zinc/74/12/08/986741208.db2.gz SIYDZNBELYSWLQ-REWPJTCUSA-N -1 3 410.493 3.938 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3nnn(CC4CCCC4)c3C)c2)n1 ZINC000469071134 986784348 /nfs/dbraw/zinc/78/43/48/986784348.db2.gz RICQSVLXERMLBQ-UHFFFAOYSA-N -1 3 406.490 3.754 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC(n2cc(Br)cn2)CC1 ZINC000469080924 986793544 /nfs/dbraw/zinc/79/35/44/986793544.db2.gz XDJXPXZMYBNPNS-UHFFFAOYSA-N -1 3 410.287 3.677 20 0 HHADHM CCOC(=O)c1ccn(-c2ccccc2NC(=O)CCCc2ccc([O-])c(F)c2)n1 ZINC000469085321 986797676 /nfs/dbraw/zinc/79/76/76/986797676.db2.gz XWXDKAKORPLSOH-UHFFFAOYSA-N -1 3 411.433 3.855 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1ccnn1Cc1cnn(-c2ccccc2)c1 ZINC000469134209 986854865 /nfs/dbraw/zinc/85/48/65/986854865.db2.gz ZPQNDIFLVOGGJM-UHFFFAOYSA-N -1 3 419.460 3.923 20 0 HHADHM CCOC(=O)c1nc(C2CCN(C(=O)[C@@H](C)c3ccc4ccccc4c3)CC2)n[n-]1 ZINC000444758759 986920728 /nfs/dbraw/zinc/92/07/28/986920728.db2.gz FEXURAMOADFWOA-HNNXBMFYSA-N -1 3 406.486 3.644 20 0 HHADHM CCOC(=O)c1nnc(C2CCN(C(=O)[C@@H](C)c3ccc4ccccc4c3)CC2)[n-]1 ZINC000444758759 986920739 /nfs/dbraw/zinc/92/07/39/986920739.db2.gz FEXURAMOADFWOA-HNNXBMFYSA-N -1 3 406.486 3.644 20 0 HHADHM CCOC(=O)c1nc(C2CCN(C(=O)c3ccccc3SC(C)C)CC2)n[n-]1 ZINC000444760061 986921951 /nfs/dbraw/zinc/92/19/51/986921951.db2.gz KACREUPHBXROKB-UHFFFAOYSA-N -1 3 402.520 3.502 20 0 HHADHM CCOC(=O)c1nnc(C2CCN(C(=O)c3ccccc3SC(C)C)CC2)[n-]1 ZINC000444760061 986921959 /nfs/dbraw/zinc/92/19/59/986921959.db2.gz KACREUPHBXROKB-UHFFFAOYSA-N -1 3 402.520 3.502 20 0 HHADHM CCCn1ccc2ccc(NC(=O)N3CCC(c4n[n-]c(C(=O)OCC)n4)CC3)cc21 ZINC000444905543 987054111 /nfs/dbraw/zinc/05/41/11/987054111.db2.gz VACIFHXELGFHNZ-UHFFFAOYSA-N -1 3 424.505 3.758 20 0 HHADHM CCCn1ccc2ccc(NC(=O)N3CCC(c4nnc(C(=O)OCC)[n-]4)CC3)cc21 ZINC000444905543 987054119 /nfs/dbraw/zinc/05/41/19/987054119.db2.gz VACIFHXELGFHNZ-UHFFFAOYSA-N -1 3 424.505 3.758 20 0 HHADHM CC[C@@H]1Oc2cc([C@H](C)NC(=O)CCCc3ccc([O-])c(F)c3)ccc2NC1=O ZINC000469425947 987114175 /nfs/dbraw/zinc/11/41/75/987114175.db2.gz IHGLFXQRJAKOBY-DJJJIMSYSA-N -1 3 400.450 3.841 20 0 HHADHM CN(Cc1ccncc1)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000469443722 987130870 /nfs/dbraw/zinc/13/08/70/987130870.db2.gz ANPUJGFCYKNMQV-UHFFFAOYSA-N -1 3 406.667 3.611 20 0 HHADHM CCOC(=O)c1nc(C2CCN(C(=O)N[C@H](CC(C)C)c3cccs3)CC2)n[n-]1 ZINC000445002548 987132262 /nfs/dbraw/zinc/13/22/62/987132262.db2.gz XPCHXXPATCMCON-OAHLLOKOSA-N -1 3 419.551 3.719 20 0 HHADHM CCOC(=O)c1nnc(C2CCN(C(=O)N[C@H](CC(C)C)c3cccs3)CC2)[n-]1 ZINC000445002548 987132267 /nfs/dbraw/zinc/13/22/67/987132267.db2.gz XPCHXXPATCMCON-OAHLLOKOSA-N -1 3 419.551 3.719 20 0 HHADHM CC(C)c1ccc(-c2nc(CC(=O)N3CCN(c4ccccc4F)CC3)no2)c([O-])c1 ZINC000445360305 987415603 /nfs/dbraw/zinc/41/56/03/987415603.db2.gz ZLHNHOXUUYTRKQ-UHFFFAOYSA-N -1 3 424.476 3.596 20 0 HHADHM CCOc1cc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccc(Cl)cc3)n2)ccc1O ZINC000445429165 987500237 /nfs/dbraw/zinc/50/02/37/987500237.db2.gz ZTQNDCLOKHDPJR-NSHDSACASA-N -1 3 423.878 3.534 20 0 HHADHM O=C(NCC[C@@H]1CCCCO1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000469880883 987518939 /nfs/dbraw/zinc/51/89/39/987518939.db2.gz KVGDBEQJUMPHQW-NSHDSACASA-N -1 3 413.699 3.633 20 0 HHADHM O=S(=O)([N-]CCc1nc(C2CCSCC2)no1)c1c(Cl)cccc1Cl ZINC000445541346 987597559 /nfs/dbraw/zinc/59/75/59/987597559.db2.gz IPRJMJABXLWUHF-UHFFFAOYSA-N -1 3 422.359 3.508 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc(/C=C\c3nc(-c4cocn4)no3)cc2)cc1 ZINC000445565565 987627703 /nfs/dbraw/zinc/62/77/03/987627703.db2.gz UJOPZVJMIPUITJ-WCIBSUBMSA-N -1 3 424.438 3.704 20 0 HHADHM CC(C)(C)N1CC[C@@H]([N-]S(=O)(=O)c2ccco2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000445717369 987781879 /nfs/dbraw/zinc/78/18/79/987781879.db2.gz CUIANVMFJUXRQS-NVXWUHKLSA-N -1 3 400.903 3.965 20 0 HHADHM CCO[C@@H](c1noc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2)n1)c1ccccc1 ZINC000445780459 987843101 /nfs/dbraw/zinc/84/31/01/987843101.db2.gz DAAZQKBKUBANQI-CXAGYDPISA-N -1 3 421.906 3.888 20 0 HHADHM CCc1c(NC(=O)NCc2ncccc2[O-])cnn1-c1cccc(C(F)(F)F)c1 ZINC000470130676 988035399 /nfs/dbraw/zinc/03/53/99/988035399.db2.gz DGMIBJDTBCGYPL-UHFFFAOYSA-N -1 3 405.380 3.876 20 0 HHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000470550939 988562583 /nfs/dbraw/zinc/56/25/83/988562583.db2.gz GAHWMQSEASLNMR-GFCCVEGCSA-N -1 3 420.252 3.562 20 0 HHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CCc1cccc(C(=O)N(C)C)c1 ZINC000470600252 988617546 /nfs/dbraw/zinc/61/75/46/988617546.db2.gz HOULHRQXXXSLHG-UHFFFAOYSA-N -1 3 420.918 3.617 20 0 HHADHM Cn1nc(C(=O)[N-]c2nnc(-c3ccc(Cl)cc3F)s2)cc1OC(F)F ZINC000470627684 988641523 /nfs/dbraw/zinc/64/15/23/988641523.db2.gz QREUGHZUYFDWJK-UHFFFAOYSA-N -1 3 403.773 3.585 20 0 HHADHM CC[C@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)C1CCOCC1 ZINC000470664026 988684437 /nfs/dbraw/zinc/68/44/37/988684437.db2.gz UDQMMPCSGSJBIB-IBGZPJMESA-N -1 3 420.506 3.562 20 0 HHADHM C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)[C@@H]1c1ccccc1 ZINC000464520654 988696623 /nfs/dbraw/zinc/69/66/23/988696623.db2.gz NONCBCUBRMPGCS-VLIAUNLRSA-N -1 3 413.474 3.788 20 0 HHADHM CC(C)(C)OC(=O)CCC(C)(C)[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000470757491 988799310 /nfs/dbraw/zinc/79/93/10/988799310.db2.gz VUUFYVGOBYPAEY-UHFFFAOYSA-N -1 3 424.332 3.767 20 0 HHADHM CC(C)(C)OC(=O)CCC(C)(C)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000470774135 988821558 /nfs/dbraw/zinc/82/15/58/988821558.db2.gz RUUHJPRUOUQQFS-UHFFFAOYSA-N -1 3 412.371 3.689 20 0 HHADHM O=S(=O)([N-]CCc1nc2ccccc2s1)c1csc(-c2ccccc2)n1 ZINC000470778141 988828213 /nfs/dbraw/zinc/82/82/13/988828213.db2.gz BLMZGFRSSZHIRG-UHFFFAOYSA-N -1 3 401.538 3.941 20 0 HHADHM COCCCn1c(=O)[n-]nc1SCc1cc(Br)cc2cccnc21 ZINC000470818167 988881475 /nfs/dbraw/zinc/88/14/75/988881475.db2.gz VHKMLZWEZODMJB-UHFFFAOYSA-N -1 3 409.309 3.623 20 0 HHADHM COc1cc(Br)ccc1[C@H](C)NC(=O)c1c[n-]c2ccccc2c1=O ZINC000470832716 988906423 /nfs/dbraw/zinc/90/64/23/988906423.db2.gz ARQLCDXDLXFUKQ-NSHDSACASA-N -1 3 401.260 3.790 20 0 HHADHM COC(=O)c1sc2[n-]c(CN3C[C@@H](C)Oc4ccc(Cl)cc43)nc(=O)c2c1C ZINC000464777446 989002521 /nfs/dbraw/zinc/00/25/21/989002521.db2.gz PDPCHJOANSOWJG-SECBINFHSA-N -1 3 419.890 3.521 20 0 HHADHM COC(=O)c1sc2[n-]c(CN3CC[C@@H](C)C[C@@H]3c3ccco3)nc(=O)c2c1C ZINC000464857637 989111922 /nfs/dbraw/zinc/11/19/22/989111922.db2.gz OHHCEKZBBCKKDA-DGCLKSJQSA-N -1 3 401.488 3.646 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N1C[C@@H]2CCC[C@@H]2C1 ZINC000465089423 989412125 /nfs/dbraw/zinc/41/21/25/989412125.db2.gz IJFAEJVGVOMBJD-IYBDPMFKSA-N -1 3 402.491 3.807 20 0 HHADHM CCO[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O)C1=CCCC1 ZINC000465132105 989462390 /nfs/dbraw/zinc/46/23/90/989462390.db2.gz QUEVVULIIJEXNF-INIZCTEOSA-N -1 3 420.453 3.921 20 0 HHADHM CO[C@]1(C)C[C@@H](NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)C1(C)C ZINC000465255989 989607323 /nfs/dbraw/zinc/60/73/23/989607323.db2.gz CTXZTUACMWJVMG-WIYYLYMNSA-N -1 3 420.506 3.560 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)Nc1nc2c(ccc(F)c2C)s1 ZINC000465262651 989615432 /nfs/dbraw/zinc/61/54/32/989615432.db2.gz DRRDKCBDBNOXQY-UHFFFAOYSA-N -1 3 423.473 3.769 20 0 HHADHM CC(C)C[C@@H]1CCN(C(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000465301554 989661413 /nfs/dbraw/zinc/66/14/13/989661413.db2.gz BTVIHDUWNBJBTF-ZDUSSCGKSA-N -1 3 407.363 3.556 20 0 HHADHM COc1cc(NC(=O)NCc2ccc([O-])c(Br)c2)cc(-n2cccn2)c1 ZINC000471478809 989675793 /nfs/dbraw/zinc/67/57/93/989675793.db2.gz BJEABNDOERUJGA-UHFFFAOYSA-N -1 3 417.263 3.671 20 0 HHADHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(-n3cc(C)cn3)c(F)c2)c(C)cc1C ZINC000471584225 989788250 /nfs/dbraw/zinc/78/82/50/989788250.db2.gz FFWROMFKBBJSSZ-UHFFFAOYSA-N -1 3 417.462 3.524 20 0 HHADHM COc1ccccc1N1CC[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000465491013 989839770 /nfs/dbraw/zinc/83/97/70/989839770.db2.gz KPWZEMXVYOMIQO-LBPRGKRZSA-N -1 3 401.315 3.559 20 0 HHADHM COc1ccccc1N1CC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000465496081 989846140 /nfs/dbraw/zinc/84/61/40/989846140.db2.gz LPAXMDMKURKEOM-LBPRGKRZSA-N -1 3 401.315 3.559 20 0 HHADHM C[C@@H](NC(=O)NCc1ncccc1[O-])c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000471690479 989893589 /nfs/dbraw/zinc/89/35/89/989893589.db2.gz ZHGMSTKGMIGIJC-CQSZACIVSA-N -1 3 408.433 3.739 20 0 HHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1cccnc1OCC(F)(F)F ZINC000471780199 989969177 /nfs/dbraw/zinc/96/91/77/989969177.db2.gz LONHEWKMLLLKBI-UHFFFAOYSA-N -1 3 418.368 3.695 20 0 HHADHM O=C(NCCc1cccc(OCCCc2ccccc2)c1)NCc1ncccc1[O-] ZINC000471867642 990040009 /nfs/dbraw/zinc/04/00/09/990040009.db2.gz DKJFSANPBTUHKL-UHFFFAOYSA-N -1 3 405.498 3.841 20 0 HHADHM CCc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccc4c(c3)C[C@@H](C)O4)n2)cc1 ZINC000471874943 990047153 /nfs/dbraw/zinc/04/71/53/990047153.db2.gz HZCPHJKSVWHBTC-KGLIPLIRSA-N -1 3 413.499 3.662 20 0 HHADHM CCc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3ccc4c(c3)C[C@@H](C)O4)n2)cc1 ZINC000471874945 990047375 /nfs/dbraw/zinc/04/73/75/990047375.db2.gz HZCPHJKSVWHBTC-ZIAGYGMSSA-N -1 3 413.499 3.662 20 0 HHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](C)c1noc(-c2ccccc2)n1 ZINC000471877660 990050118 /nfs/dbraw/zinc/05/01/18/990050118.db2.gz SRCALKXMUJFTCW-GFCCVEGCSA-N -1 3 401.419 3.970 20 0 HHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCCc3sccc32)cc1Cl ZINC000466546464 991854869 /nfs/dbraw/zinc/85/48/69/991854869.db2.gz TZPPZENDQQLLBA-CYBMUJFWSA-N -1 3 402.900 3.855 20 0 HHADHM O=S(=O)(Cc1ccc(Cl)cc1Br)[N-][C@H]1COc2ccc(F)cc21 ZINC000466546416 991854987 /nfs/dbraw/zinc/85/49/87/991854987.db2.gz SSZAAIIDDGLECK-AWEZNQCLSA-N -1 3 420.687 3.795 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)N3[C@H](C)CC[C@H]3C)c2)cc1 ZINC000466575509 991890396 /nfs/dbraw/zinc/89/03/96/991890396.db2.gz FXVMTPKKIGDSGA-HZPDHXFCSA-N -1 3 417.531 3.578 20 0 HHADHM O=C([N-]c1cc(Cl)c(Cl)cc1F)c1nc2ncc(Br)cn2n1 ZINC000466575257 991890521 /nfs/dbraw/zinc/89/05/21/991890521.db2.gz RGSXXWCGKYVGQW-UHFFFAOYSA-N -1 3 405.014 3.585 20 0 HHADHM COc1ccc([O-])c(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)c(C)s2)c1 ZINC000466620630 991937148 /nfs/dbraw/zinc/93/71/48/991937148.db2.gz UHDCZVIOCQLYEL-UHFFFAOYSA-N -1 3 409.467 3.970 20 0 HHADHM COC[C@H]1CCCCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)C1 ZINC000466841962 992154218 /nfs/dbraw/zinc/15/42/18/992154218.db2.gz ODQDUJBJSXUKIU-INIZCTEOSA-N -1 3 420.506 3.515 20 0 HHADHM Cc1ccc(-c2nc(C[N-]S(=O)(=O)c3ccccc3Br)co2)cc1 ZINC000466923993 992236877 /nfs/dbraw/zinc/23/68/77/992236877.db2.gz GSPQDBUJZDIISS-UHFFFAOYSA-N -1 3 407.289 3.891 20 0 HHADHM Cc1ccc(-c2nc(C[N-]S(=O)(=O)c3cc4c(cc3Cl)OCCO4)co2)cc1 ZINC000466934266 992245346 /nfs/dbraw/zinc/24/53/46/992245346.db2.gz CBOPGYLWZVBGBZ-UHFFFAOYSA-N -1 3 420.874 3.553 20 0 HHADHM O=S(=O)([N-]c1ccc(OCC2CC2)cc1)c1ccc(OC[C@H]2CCOC2)c(F)c1 ZINC000466964751 992275621 /nfs/dbraw/zinc/27/56/21/992275621.db2.gz QRJQZBBEIWXZMS-INIZCTEOSA-N -1 3 421.490 3.831 20 0 HHADHM CCCCOc1ccc(CNC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cc1Cl ZINC000466967830 992279514 /nfs/dbraw/zinc/27/95/14/992279514.db2.gz RUCNDIQEKQGMLE-UHFFFAOYSA-N -1 3 401.850 3.724 20 0 HHADHM CCCCc1nc2ccc([N-]S(=O)(=O)c3ccc4c(c3)oc(=O)n4CC)cc2[nH]1 ZINC000466972398 992284395 /nfs/dbraw/zinc/28/43/95/992284395.db2.gz DSGGWBOJRMXCQP-UHFFFAOYSA-N -1 3 414.487 3.634 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccccc2CC(=O)OC(C)(C)C)cc1C ZINC000467081746 992388123 /nfs/dbraw/zinc/38/81/23/992388123.db2.gz AKYZZTABTSMZJE-UHFFFAOYSA-N -1 3 405.516 3.997 20 0 HHADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(C(C)(C)C)nc3c2)cc1 ZINC000467413561 992716622 /nfs/dbraw/zinc/71/66/22/992716622.db2.gz XRKSHCRMZCRLEY-UHFFFAOYSA-N -1 3 403.504 3.686 20 0 HHADHM Cc1cc(N2CCCC[C@H]2C)ccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000467425733 992725727 /nfs/dbraw/zinc/72/57/27/992725727.db2.gz RMNVOUZROMEWGC-MRXNPFEDSA-N -1 3 402.516 3.946 20 0 HHADHM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(N3CCCC[C@@H]3C)cc2C)c1 ZINC000467431211 992730240 /nfs/dbraw/zinc/73/02/40/992730240.db2.gz WCMCJNAQTPGAJQ-INIZCTEOSA-N -1 3 402.516 3.961 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N[C@H]3CCCc4sccc43)c2)n1 ZINC000467846534 993079382 /nfs/dbraw/zinc/07/93/82/993079382.db2.gz OFQFEHPBMDGOPZ-KRWDZBQOSA-N -1 3 422.510 3.605 20 0 HHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCN(C(=O)C3CCCCC3)C2)c1Cl ZINC000472313459 993325527 /nfs/dbraw/zinc/32/55/27/993325527.db2.gz KPUPYUXPTMOWTE-AWEZNQCLSA-N -1 3 419.374 3.761 20 0 HHADHM Cc1ncc(C[N-]S(=O)(=O)c2cc(Br)c(Cl)cc2Cl)s1 ZINC000472676355 993598558 /nfs/dbraw/zinc/59/85/58/993598558.db2.gz DZSWKOWWHFMRFT-UHFFFAOYSA-N -1 3 416.149 3.999 20 0 HHADHM C[C@H](O)[C@@](C)(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)Cc1ccccc1 ZINC000480753293 993619612 /nfs/dbraw/zinc/61/96/12/993619612.db2.gz IGWXJJPJLIEYKZ-SCLBCKFNSA-N -1 3 402.343 3.902 20 0 HHADHM Cc1cccc(F)c1NC(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000480768167 993632215 /nfs/dbraw/zinc/63/22/15/993632215.db2.gz WPBFTJNSHLLFAL-UHFFFAOYSA-N -1 3 420.293 3.541 20 0 HHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCc2cc(Br)ccc2C1 ZINC000480793429 993662478 /nfs/dbraw/zinc/66/24/78/993662478.db2.gz DXZGVNNBGAVBQP-UHFFFAOYSA-N -1 3 404.308 3.749 20 0 HHADHM CS(=O)(=O)[N-]c1cncc(C(=O)Nc2ccccc2NCCCc2ccccc2)c1 ZINC000480813360 993686525 /nfs/dbraw/zinc/68/65/25/993686525.db2.gz VARZNDVXVZCIOA-UHFFFAOYSA-N -1 3 424.526 3.750 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2CCCc3c(O)cccc32)s1 ZINC000480852102 993724800 /nfs/dbraw/zinc/72/48/00/993724800.db2.gz LBXMJQPBRPJVQZ-CYBMUJFWSA-N -1 3 402.335 3.881 20 0 HHADHM O=S(=O)([N-]Cc1nc(C2CC2)cs1)c1cc(Br)ccc1Cl ZINC000480862109 993733576 /nfs/dbraw/zinc/73/35/76/993733576.db2.gz BRBMNRVVHJHALS-UHFFFAOYSA-N -1 3 407.742 3.915 20 0 HHADHM Cc1ccc2c(c1)CCN(C(=O)Cc1csc(NC(=O)c3cc(C)ccc3[O-])n1)C2 ZINC000480951647 993793207 /nfs/dbraw/zinc/79/32/07/993793207.db2.gz NQLAFPGAAWFJHI-UHFFFAOYSA-N -1 3 421.522 3.845 20 0 HHADHM CSc1nc(NC(=O)CSc2nnc(-c3ccco3)n2C2CCCCC2)n[n-]1 ZINC000481256593 994079578 /nfs/dbraw/zinc/07/95/78/994079578.db2.gz KMECLSDBCXQISO-UHFFFAOYSA-N -1 3 419.536 3.614 20 0 HHADHM Cc1nc(NC(=O)NCc2ccc([O-])c(Br)c2)ccc1Br ZINC000481340415 994161828 /nfs/dbraw/zinc/16/18/28/994161828.db2.gz LOGMZIKDGRGLKX-UHFFFAOYSA-N -1 3 415.085 3.942 20 0 HHADHM Cc1nc([C@H]2CCCOC2)sc1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000481451639 994287868 /nfs/dbraw/zinc/28/78/68/994287868.db2.gz JAQRTTHUXMJJJZ-LBPRGKRZSA-N -1 3 411.321 3.744 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC3CC(C)C3)ccc2C)cc1 ZINC000473458573 994303620 /nfs/dbraw/zinc/30/36/20/994303620.db2.gz PEPPRGUOJHYHCS-UHFFFAOYSA-N -1 3 402.516 3.723 20 0 HHADHM COc1cccc(C(=O)CCCC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000481474977 994308890 /nfs/dbraw/zinc/30/88/90/994308890.db2.gz SOHFFYQXMZZATJ-UHFFFAOYSA-N -1 3 406.276 3.833 20 0 HHADHM Cc1cccc(S(=O)(=O)[N-][C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)c1F ZINC000481496414 994328561 /nfs/dbraw/zinc/32/85/61/994328561.db2.gz WIJKEEBCIKIAFX-ZDUSSCGKSA-N -1 3 411.804 3.818 20 0 HHADHM COC(=O)c1nc([C@H]2CCCN2C(=O)CCCc2ccc([O-])c(F)c2)sc1C ZINC000473550931 994413918 /nfs/dbraw/zinc/41/39/18/994413918.db2.gz PJEDJYNEXJJLQN-OAHLLOKOSA-N -1 3 406.479 3.769 20 0 HHADHM O=C(Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)NCc1ncccc1[O-] ZINC000473633603 994514532 /nfs/dbraw/zinc/51/45/32/994514532.db2.gz JNGVTKBISFEZHU-UHFFFAOYSA-N -1 3 402.429 3.638 20 0 HHADHM O=C(NCc1ncccc1[O-])c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2 ZINC000473634052 994514681 /nfs/dbraw/zinc/51/46/81/994514681.db2.gz NZDRUWMOIVBHAU-UHFFFAOYSA-N -1 3 403.269 3.698 20 0 HHADHM CN(C(=O)CSc1ccccc1C(=O)NCc1ncccc1[O-])C1CCCCC1 ZINC000473634945 994515208 /nfs/dbraw/zinc/51/52/08/994515208.db2.gz BOMITSJZUUFOEC-UHFFFAOYSA-N -1 3 413.543 3.600 20 0 HHADHM O=C(NCc1ncccc1[O-])c1cccnc1Oc1ccc(Br)cc1 ZINC000473634975 994515537 /nfs/dbraw/zinc/51/55/37/994515537.db2.gz CEICURQHPNWJQX-UHFFFAOYSA-N -1 3 400.232 3.667 20 0 HHADHM O=C(NCc1ncccc1[O-])c1ccc(Oc2ccc(Br)cc2)nc1 ZINC000473635360 994516011 /nfs/dbraw/zinc/51/60/11/994516011.db2.gz ACONMXXTLIGVTC-UHFFFAOYSA-N -1 3 400.232 3.667 20 0 HHADHM COc1ccc(-c2cc(C(=O)NCc3ncccc3[O-])nn2-c2ccccc2)cc1 ZINC000473638781 994520561 /nfs/dbraw/zinc/52/05/61/994520561.db2.gz GCNBFEPVCVSRNK-UHFFFAOYSA-N -1 3 400.438 3.579 20 0 HHADHM O=C(NCc1ccc(C2CC2)cc1)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000481855905 994713174 /nfs/dbraw/zinc/71/31/74/994713174.db2.gz FKQATUJFLIYHBV-UHFFFAOYSA-N -1 3 413.474 3.762 20 0 HHADHM Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccc(Cc4nn[n-]n4)cc3)cc12 ZINC000473891266 994844161 /nfs/dbraw/zinc/84/41/61/994844161.db2.gz ROAODNZNDLFALR-UHFFFAOYSA-N -1 3 415.482 3.752 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]CC2(c3ccc(F)cc3)CCOCC2)sc1Cl ZINC000473904673 994865069 /nfs/dbraw/zinc/86/50/69/994865069.db2.gz UHOAVOWCDDPZBD-UHFFFAOYSA-N -1 3 403.928 3.876 20 0 HHADHM COc1ccccc1N1CC[C@H](C[N-]S(=O)(=O)c2cc(C)c(Cl)s2)C1 ZINC000473906028 994867713 /nfs/dbraw/zinc/86/77/13/994867713.db2.gz HFDTYDXJNDGGDP-CYBMUJFWSA-N -1 3 400.953 3.523 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]Cc2cccc(NC(=O)c3ccccn3)c2)sc1Cl ZINC000473909682 994872958 /nfs/dbraw/zinc/87/29/58/994872958.db2.gz CBOOKKNXGOAPKI-UHFFFAOYSA-N -1 3 421.931 3.836 20 0 HHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCC[C@@H](C(F)(F)F)[C@H]1C ZINC000482015293 994924351 /nfs/dbraw/zinc/92/43/51/994924351.db2.gz JAFGHYNIYVWEDW-CZUORRHYSA-N -1 3 408.424 3.675 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCSC[C@@H]1c1nccs1 ZINC000474010489 995000091 /nfs/dbraw/zinc/00/00/91/995000091.db2.gz NCJXKQQABPTBEO-GFCCVEGCSA-N -1 3 414.350 3.611 20 0 HHADHM CCOc1cccnc1C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000482075751 995012073 /nfs/dbraw/zinc/01/20/73/995012073.db2.gz KALSWWFXMDAWTO-UHFFFAOYSA-N -1 3 411.483 3.842 20 0 HHADHM Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000482236094 995219545 /nfs/dbraw/zinc/21/95/45/995219545.db2.gz ATWANFIDAMSFAG-UHFFFAOYSA-N -1 3 401.801 3.839 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)[C@@H]3CC34CCCC4)c2)cc1 ZINC000474281680 995276656 /nfs/dbraw/zinc/27/66/56/995276656.db2.gz DSNRWIZAONRXBS-FQEVSTJZSA-N -1 3 414.527 3.693 20 0 HHADHM COc1ccc(-c2nc(NC(=O)c3c(C)[n-]c(=O)nc3SC)sc2C)cc1 ZINC000474319356 995303796 /nfs/dbraw/zinc/30/37/96/995303796.db2.gz LRZBZXSUEMDZAE-UHFFFAOYSA-N -1 3 402.501 3.905 20 0 HHADHM Cc1ncc(CNC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)c(=O)[n-]1 ZINC000482326327 995304427 /nfs/dbraw/zinc/30/44/27/995304427.db2.gz FPKBNVNJKMYLKN-LBPRGKRZSA-N -1 3 408.302 3.612 20 0 HHADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCOc3c(C)cccc32)sc1Br ZINC000474391896 995366434 /nfs/dbraw/zinc/36/64/34/995366434.db2.gz DQTSYLVDLPUZFM-GFCCVEGCSA-N -1 3 402.335 3.930 20 0 HHADHM O=C(NCc1cccc(OCC(F)F)c1)NCc1ccc([O-])c(Br)c1 ZINC000482475662 995480177 /nfs/dbraw/zinc/48/01/77/995480177.db2.gz HNOSAHPMZQMDFX-UHFFFAOYSA-N -1 3 415.234 3.798 20 0 HHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 ZINC000474533135 995500368 /nfs/dbraw/zinc/50/03/68/995500368.db2.gz HPHFLDYNZRKMRF-UHFFFAOYSA-N -1 3 402.882 3.586 20 0 HHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1nc(-c2ccc(NC(C)=O)cc2)cs1 ZINC000482532510 995540740 /nfs/dbraw/zinc/54/07/40/995540740.db2.gz OHADEEYILTYSQC-UHFFFAOYSA-N -1 3 415.500 3.547 20 0 HHADHM CC(C)c1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)n1 ZINC000474719232 995656475 /nfs/dbraw/zinc/65/64/75/995656475.db2.gz JEPKBLXJVYBMAA-UHFFFAOYSA-N -1 3 401.410 3.848 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N[C@@H](COc1ccccc1F)c1ccccc1 ZINC000482840799 995784719 /nfs/dbraw/zinc/78/47/19/995784719.db2.gz JPJVXCMWKIFGIR-AWEZNQCLSA-N -1 3 423.370 3.582 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCC(C)=C(C)C3)c2)cc1 ZINC000482884282 995816381 /nfs/dbraw/zinc/81/63/81/995816381.db2.gz BJIIDZGVVMNZEW-UHFFFAOYSA-N -1 3 414.527 3.987 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N[C@@H](COCc1ccccc1)c1ccccc1 ZINC000483086214 995964007 /nfs/dbraw/zinc/96/40/07/995964007.db2.gz HJSHHFBFEGRHLT-INIZCTEOSA-N -1 3 419.407 3.581 20 0 HHADHM CNS(=O)(=O)c1csc(C(=O)[N-]c2cc(-c3ccc(C(C)(C)C)cc3)no2)c1 ZINC000483151365 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20 0 HHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc(F)c(F)cc1C(=O)c1ccccc1 ZINC000475531327 996204881 /nfs/dbraw/zinc/20/48/81/996204881.db2.gz ULSWVFUDUFDBCJ-UHFFFAOYSA-N -1 3 405.364 3.628 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000483551562 996245953 /nfs/dbraw/zinc/24/59/53/996245953.db2.gz MFPPZFGUYICLHE-UHFFFAOYSA-N -1 3 410.375 3.533 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(NCCc3ccc(OCC(F)(F)F)nc3)nc2)n1 ZINC000475729676 996329456 /nfs/dbraw/zinc/32/94/56/996329456.db2.gz GPWHQUCYDVBIHE-UHFFFAOYSA-N -1 3 419.407 3.797 20 0 HHADHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)cc1F ZINC000475746290 996344893 /nfs/dbraw/zinc/34/48/93/996344893.db2.gz ZBVMQZDEIQPLJZ-LBPRGKRZSA-N -1 3 409.458 3.597 20 0 HHADHM Cc1csc(CCCC[N-]S(=O)(=O)c2ccc(Br)cc2F)n1 ZINC000475772131 996361475 /nfs/dbraw/zinc/36/14/75/996361475.db2.gz NIEAHNXRUBKMLQ-UHFFFAOYSA-N -1 3 407.330 3.654 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(NC(=O)N(C)C)c2C)cc1Cl ZINC000475827941 996397094 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LSZZPSISSYVZNG-QGZVFWFLSA-N -1 3 409.408 3.874 20 0 HHADHM Cc1sc2ncn(CCC(=O)Nc3ccc([O-])c(C(F)(F)F)c3)c(=O)c2c1C ZINC000476170410 996651250 /nfs/dbraw/zinc/65/12/50/996651250.db2.gz SZBSIWJRFXFPHQ-UHFFFAOYSA-N -1 3 411.405 3.828 20 0 HHADHM COc1ccc(C)cc1N1C[C@@H](C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)CC1=O ZINC000476175516 996656226 /nfs/dbraw/zinc/65/62/26/996656226.db2.gz UYYOCYDIGAUMJZ-LBPRGKRZSA-N -1 3 408.376 3.720 20 0 HHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@H]1CCCN1c1ncnc2ccccc21 ZINC000476180336 996660267 /nfs/dbraw/zinc/66/02/67/996660267.db2.gz XURPWIXMAFCPGR-MRXNPFEDSA-N -1 3 402.376 3.962 20 0 HHADHM CC[C@H](C)Oc1ccc(NC(=O)C(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000484526029 996857504 /nfs/dbraw/zinc/85/75/04/996857504.db2.gz FGSLSKPSQKKWHF-LBPRGKRZSA-N -1 3 421.291 3.587 20 0 HHADHM CCc1ccc(CC)c(NC(=O)C(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000484526152 996857812 /nfs/dbraw/zinc/85/78/12/996857812.db2.gz KEEGZOMKZXEXIG-UHFFFAOYSA-N -1 3 405.292 3.534 20 0 HHADHM O=S(=O)([N-]C[C@@H](CCO)c1ccccc1)c1ccc(Cl)cc1C(F)(F)F ZINC000476419429 996884833 /nfs/dbraw/zinc/88/48/33/996884833.db2.gz RPGAIKNIDBDXMP-CYBMUJFWSA-N -1 3 407.841 3.803 20 0 HHADHM Cc1c(Br)cccc1S(=O)(=O)[N-]c1ccc(O[C@@H]2CCOC2)cc1 ZINC000476423254 996890407 /nfs/dbraw/zinc/89/04/07/996890407.db2.gz MUPLIFHWYKUJDW-OAHLLOKOSA-N -1 3 412.305 3.726 20 0 HHADHM COCC[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1F)c1ccc(C)o1 ZINC000476518656 997007209 /nfs/dbraw/zinc/00/72/09/997007209.db2.gz YFJNGQCTUNHXMM-ZDUSSCGKSA-N -1 3 406.273 3.546 20 0 HHADHM O=S(=O)([N-]C[C@H]1CCCC[C@H]1C(F)(F)F)c1cnn(-c2ccccc2F)c1 ZINC000484790897 997141764 /nfs/dbraw/zinc/14/17/64/997141764.db2.gz WIDAWZMFKKHNLB-TZMCWYRMSA-N -1 3 405.417 3.658 20 0 HHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000476649258 997180999 /nfs/dbraw/zinc/18/09/99/997180999.db2.gz RCFRHQOVVLULKC-UHFFFAOYSA-N -1 3 410.286 3.957 20 0 HHADHM CC(C)(C)n1ncc(C(=O)[N-]c2nnc(CC(F)(F)F)s2)c1C(F)(F)F ZINC000484957513 997335184 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3.866 20 0 HHADHM O=C(c1ccc(CSc2nc3ccccc3[nH]2)cc1)N1CCc2nc[n-]c(=O)c2C1 ZINC000476972020 997590665 /nfs/dbraw/zinc/59/06/65/997590665.db2.gz TZSDRDMMHQNURM-UHFFFAOYSA-N -1 3 417.494 3.549 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)[C@H]3CCCC3(C)C)c2)cc1 ZINC000477018794 997651579 /nfs/dbraw/zinc/65/15/79/997651579.db2.gz KNZPPYDEFJNYQN-HXUWFJFHSA-N -1 3 416.543 3.939 20 0 HHADHM CCc1c(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)cnn1-c1cccc(Cl)c1 ZINC000485316311 997727042 /nfs/dbraw/zinc/72/70/42/997727042.db2.gz VZMYGHKKFAAGEM-UHFFFAOYSA-N -1 3 413.791 3.547 20 0 HHADHM CCOC(=O)COc1ccc(-c2nc3cc(Cl)c(Cl)cc3c(=O)[n-]2)cc1OC ZINC000485363626 997788373 /nfs/dbraw/zinc/78/83/73/997788373.db2.gz YWFYIMFONXLUML-UHFFFAOYSA-N -1 3 423.252 3.847 20 0 HHADHM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1cccc(CS(=O)(=O)C(C)(C)C)c1 ZINC000485393378 997821419 /nfs/dbraw/zinc/82/14/19/997821419.db2.gz MZJDODLEXJUORV-UHFFFAOYSA-N -1 3 413.536 3.957 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1NC(=O)c1ccccn1 ZINC000485404622 997836034 /nfs/dbraw/zinc/83/60/34/997836034.db2.gz FXTKDCOXZOKQDV-UHFFFAOYSA-N -1 3 411.483 3.760 20 0 HHADHM CCc1[nH]nc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)ccc2C)c1C ZINC000477174385 997842056 /nfs/dbraw/zinc/84/20/56/997842056.db2.gz HGQAPTGTWVKMOA-UHFFFAOYSA-N -1 3 416.478 3.781 20 0 HHADHM CCc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)c3ccccn3)c2)cc1 ZINC000485445093 997886165 /nfs/dbraw/zinc/88/61/65/997886165.db2.gz WESONXDRAYBLKR-UHFFFAOYSA-N -1 3 411.483 3.706 20 0 HHADHM Cn1ccnc1[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)c1ccccc1F ZINC000485445190 997887018 /nfs/dbraw/zinc/88/70/18/997887018.db2.gz ZIDLOWMKOUJQBI-MRXNPFEDSA-N -1 3 414.289 3.934 20 0 HHADHM O=C(c1ccccc1CSc1nc2ccccc2o1)N1CCc2nc[n-]c(=O)c2C1 ZINC000477216000 997888104 /nfs/dbraw/zinc/88/81/04/997888104.db2.gz MOWTZKIHFYEXGB-UHFFFAOYSA-N -1 3 418.478 3.814 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NC1(c2ccc(F)cc2F)CCC1 ZINC000477303894 997990926 /nfs/dbraw/zinc/99/09/26/997990926.db2.gz XNRXVYSGYWPLQM-UHFFFAOYSA-N -1 3 424.451 3.547 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)Nc3ccc(Cl)c(F)c3)c2)n1 ZINC000485598159 998045148 /nfs/dbraw/zinc/04/51/48/998045148.db2.gz WSVCVZAVBOMDIP-UHFFFAOYSA-N -1 3 414.824 3.781 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCC34CCC4)c2)cc1 ZINC000477368990 998057087 /nfs/dbraw/zinc/05/70/87/998057087.db2.gz YZUHQIQWWVIJEV-UHFFFAOYSA-N -1 3 400.500 3.573 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC34CCC4)ccc2C)cc1 ZINC000477380083 998067729 /nfs/dbraw/zinc/06/77/29/998067729.db2.gz NTPRJSLEKDQRMF-UHFFFAOYSA-N -1 3 400.500 3.573 20 0 HHADHM Cc1cc(C(C)(C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)ccc1Br ZINC000485648432 998093788 /nfs/dbraw/zinc/09/37/88/998093788.db2.gz ZGMMJMVWSGXTFG-UHFFFAOYSA-N -1 3 400.280 3.854 20 0 HHADHM Cc1cc(C(C)(C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)ccc1Br ZINC000485648432 998093798 /nfs/dbraw/zinc/09/37/98/998093798.db2.gz ZGMMJMVWSGXTFG-UHFFFAOYSA-N -1 3 400.280 3.854 20 0 HHADHM 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998312734 /nfs/dbraw/zinc/31/27/34/998312734.db2.gz ARVMAQUDBZBANE-SNVBAGLBSA-N -1 3 413.833 3.849 20 0 HHADHM C[C@@H]([N-]S(=O)(=O)c1c[nH]c2cccc(F)c21)c1nc(-c2cccc(F)c2)no1 ZINC000477602533 998318846 /nfs/dbraw/zinc/31/88/46/998318846.db2.gz PSANOMRACBVLSS-SNVBAGLBSA-N -1 3 404.398 3.536 20 0 HHADHM Cc1cccc(-c2noc(CS(=O)(=O)[N-]c3ccc(OC(C)C)cc3)n2)c1F ZINC000485872189 998329348 /nfs/dbraw/zinc/32/93/48/998329348.db2.gz LGICDEQGXBKVRJ-UHFFFAOYSA-N -1 3 405.451 3.913 20 0 HHADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H](c1ccccc1)C(F)(F)F ZINC000485948849 998392342 /nfs/dbraw/zinc/39/23/42/998392342.db2.gz DHZBSKIWDOOSTR-CQSZACIVSA-N -1 3 421.824 3.751 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2cc(COC(C)(C)C)on2)s1 ZINC000485951710 998394226 /nfs/dbraw/zinc/39/42/26/998394226.db2.gz CNOOILLGMNGRNO-UHFFFAOYSA-N -1 3 423.354 3.601 20 0 HHADHM CCOC(=O)c1ccc(NC(=O)[C@]2(C)CCCCN2C(=O)c2ccccc2)c([O-])c1 ZINC000477704312 998422594 /nfs/dbraw/zinc/42/25/94/998422594.db2.gz RNVIDUVIZBGLEK-QHCPKHFHSA-N 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CC(C)(C)C[C@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000510896529 1004918048 /nfs/dbraw/zinc/91/80/48/1004918048.db2.gz UTHFLAOLBQZRTK-AWEZNQCLSA-N -1 3 414.980 3.974 20 0 HHADHM COC(=O)c1csc(S(=O)(=O)[N-]Cc2ccc(OCc3ccccc3)cc2)c1 ZINC000502166978 1004934464 /nfs/dbraw/zinc/93/44/64/1004934464.db2.gz AXFOPRCCRJKAHD-UHFFFAOYSA-N -1 3 417.508 3.592 20 0 HHADHM COC(=O)c1csc(S(=O)(=O)[N-]CC(c2ccccc2)c2ccccc2)c1 ZINC000502209000 1004958915 /nfs/dbraw/zinc/95/89/15/1004958915.db2.gz QVOMPLPWFDLAJD-UHFFFAOYSA-N -1 3 401.509 3.645 20 0 HHADHM C[C@@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C(=O)c1c[nH]c2ncccc12 ZINC000502327983 1005014746 /nfs/dbraw/zinc/01/47/46/1005014746.db2.gz ONZDNCVLKKAQKN-GFCCVEGCSA-N -1 3 416.466 3.761 20 0 HHADHM CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC000511139461 1005040581 /nfs/dbraw/zinc/04/05/81/1005040581.db2.gz BWBAPEJGHLIOBV-UHFFFAOYSA-N -1 3 420.915 3.822 20 0 HHADHM O=C(N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F)c1cc(F)cc2n[n-]nc21 ZINC000502373234 1005042425 /nfs/dbraw/zinc/04/24/25/1005042425.db2.gz LVDGAGAIPOVFEX-CYBMUJFWSA-N -1 3 404.270 3.732 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C3=Cc4cccc(OC)c4OC3)c2)n1 ZINC000513760648 1005113601 /nfs/dbraw/zinc/11/36/01/1005113601.db2.gz JEXAMFISSLAYJT-UHFFFAOYSA-N -1 3 403.438 3.835 20 0 HHADHM CC[C@H]([N-]S(=O)(=O)c1ccc(C)cc1C(=O)OC)c1nc(C(F)(F)F)cs1 ZINC000513850763 1005157927 /nfs/dbraw/zinc/15/79/27/1005157927.db2.gz BMUIEYXWYKNROA-NSHDSACASA-N -1 3 422.450 3.687 20 0 HHADHM Cc1nc2ccc(NC(=O)CCc3c(C)nc(-c4ccncc4)[n-]c3=O)cc2s1 ZINC000511497508 1005201493 /nfs/dbraw/zinc/20/14/93/1005201493.db2.gz KWMWDIMTBCJCCR-UHFFFAOYSA-N -1 3 405.483 3.630 20 0 HHADHM COc1cc(C(=O)NCC2(c3ccccc3Br)CC2)cc(OC)c1[O-] ZINC000513957679 1005202337 /nfs/dbraw/zinc/20/23/37/1005202337.db2.gz CRXBAIPSRQCVIL-UHFFFAOYSA-N -1 3 406.276 3.634 20 0 HHADHM CS(=O)(=O)[N-]c1cncc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)nc2)c1 ZINC000502794706 1005220639 /nfs/dbraw/zinc/22/06/39/1005220639.db2.gz UWFMFBKLMMSQIW-UHFFFAOYSA-N -1 3 418.862 3.546 20 0 HHADHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)cc1)c1ccncc1 ZINC000502836777 1005238831 /nfs/dbraw/zinc/23/88/31/1005238831.db2.gz AKYNEGUPASROSJ-UHFFFAOYSA-N -1 3 423.494 3.924 20 0 HHADHM CC[C@@H]1C[C@H](C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)CCO1 ZINC000502908518 1005269835 /nfs/dbraw/zinc/26/98/35/1005269835.db2.gz ANVGLENUFFBSJY-VQIMIIECSA-N -1 3 402.516 3.940 20 0 HHADHM COc1cccc(Cn2c3ccccc3nc2NC(=O)c2cc(F)cc3n[n-]nc32)c1 ZINC000503285920 1005383780 /nfs/dbraw/zinc/38/37/80/1005383780.db2.gz LSXYJOWPNXAFGS-UHFFFAOYSA-N -1 3 416.416 3.756 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)NCc3cccc(N4CCCC4=O)c3)cc2)cc(=O)[n-]1 ZINC000503291574 1005384640 /nfs/dbraw/zinc/38/46/40/1005384640.db2.gz LAGJWNAVYWEPFS-UHFFFAOYSA-N -1 3 417.469 3.606 20 0 HHADHM O=C([N-]c1nnc(C(F)F)s1)c1cnn(-c2ncccc2Cl)c1C(F)F ZINC000503338696 1005393350 /nfs/dbraw/zinc/39/33/50/1005393350.db2.gz OFKPFWKGHNCISZ-UHFFFAOYSA-N -1 3 406.752 3.900 20 0 HHADHM Cc1ccc(SCC(F)(F)F)c(NC(=O)c2cncc([N-]S(C)(=O)=O)c2)c1 ZINC000503447325 1005423140 /nfs/dbraw/zinc/42/31/40/1005423140.db2.gz PVQUXKSKIKIYEO-UHFFFAOYSA-N -1 3 419.450 3.668 20 0 HHADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@H](C)c1cc(C)oc1C ZINC000503477756 1005432555 /nfs/dbraw/zinc/43/25/55/1005432555.db2.gz NEJNAQAFNNJIHY-SECBINFHSA-N -1 3 406.273 3.846 20 0 HHADHM CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cncc([N-]S(C)(=O)=O)c1 ZINC000503539790 1005447197 /nfs/dbraw/zinc/44/71/97/1005447197.db2.gz CWLBGMQTTAQJNW-UHFFFAOYSA-N -1 3 416.330 3.811 20 0 HHADHM C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)c1cncc([N-]S(C)(=O)=O)c1 ZINC000503566462 1005454379 /nfs/dbraw/zinc/45/43/79/1005454379.db2.gz GVGGOXWCYVINCN-INIZCTEOSA-N -1 3 409.511 3.953 20 0 HHADHM CCCNc1ccc(C(F)(F)F)cc1NC(=O)c1cncc([N-]S(C)(=O)=O)c1 ZINC000503579521 1005457596 /nfs/dbraw/zinc/45/75/96/1005457596.db2.gz OINBTEQUBXVQNW-UHFFFAOYSA-N -1 3 416.425 3.546 20 0 HHADHM COC(=O)c1cccc2[n-]c(NC(=O)CS[C@@H](C)c3nc4ccccc4[nH]3)nc21 ZINC000503584057 1005458737 /nfs/dbraw/zinc/45/87/37/1005458737.db2.gz BOBUFLFDRGUEPB-NSHDSACASA-N -1 3 409.471 3.659 20 0 HHADHM CC(C)(C(=O)Nc1ccc(Cc2nnn[n-]2)cc1)c1csc(-c2cccs2)n1 ZINC000503677113 1005478965 /nfs/dbraw/zinc/47/89/65/1005478965.db2.gz SAFZEMNYUYYYJY-UHFFFAOYSA-N -1 3 410.528 3.892 20 0 HHADHM CC(C)(C(=O)Nc1ccc(Cc2nn[n-]n2)cc1)c1csc(-c2cccs2)n1 ZINC000503677113 1005478967 /nfs/dbraw/zinc/47/89/67/1005478967.db2.gz SAFZEMNYUYYYJY-UHFFFAOYSA-N -1 3 410.528 3.892 20 0 HHADHM CS(=O)(=O)[N-]c1cncc(-c2nc(-c3ccccc3OCc3ccccc3)no2)c1 ZINC000504275683 1005587889 /nfs/dbraw/zinc/58/78/89/1005587889.db2.gz YAHIDBRNUWGDEL-UHFFFAOYSA-N -1 3 422.466 3.749 20 0 HHADHM O=C([N-]c1c2ccccc2oc1C(=O)N1CCOCC1)c1cnc(-c2ccco2)s1 ZINC000504360160 1005606553 /nfs/dbraw/zinc/60/65/53/1005606553.db2.gz QRMRAFCZHYDNKY-UHFFFAOYSA-N -1 3 423.450 3.874 20 0 HHADHM CCc1cccc(C(=O)N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)c1[O-] ZINC000531118919 1006004421 /nfs/dbraw/zinc/00/44/21/1006004421.db2.gz PQUDZGKWWVJYQG-UHFFFAOYSA-N -1 3 406.404 3.572 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NCC2CC(c3ccccc3)C2)cc1OC ZINC000514616749 1006052142 /nfs/dbraw/zinc/05/21/42/1006052142.db2.gz FQHBQKGYSXYBGR-UHFFFAOYSA-N -1 3 417.531 3.772 20 0 HHADHM COc1cccc([C@H](C[N-]S(=O)(=O)c2cc3ccccc3o2)N2CCCC2)c1 ZINC000531247307 1006068297 /nfs/dbraw/zinc/06/82/97/1006068297.db2.gz IPAOPNHDLGXGGM-IBGZPJMESA-N -1 3 400.500 3.557 20 0 HHADHM O=C(Nc1cc(Br)ccc1[O-])c1ncoc1-c1ccc2c(c1)OCCO2 ZINC000531254121 1006072197 /nfs/dbraw/zinc/07/21/97/1006072197.db2.gz HPBBGASGSIMADQ-UHFFFAOYSA-N -1 3 417.215 3.833 20 0 HHADHM O=C(COc1cccc(Br)c1)Nc1ccc(Br)cc1[O-] ZINC000514820592 1006151818 /nfs/dbraw/zinc/15/18/18/1006151818.db2.gz QKKZEZSYYNNVPQ-UHFFFAOYSA-N -1 3 401.054 3.935 20 0 HHADHM Cc1cc(C(C)(C)C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)ccc1Br ZINC000514821761 1006154022 /nfs/dbraw/zinc/15/40/22/1006154022.db2.gz IGCNNTYKBXSQNO-UHFFFAOYSA-N -1 3 414.307 3.778 20 0 HHADHM Cc1cc(C(C)(C)C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)ccc1Br ZINC000514821761 1006154034 /nfs/dbraw/zinc/15/40/34/1006154034.db2.gz IGCNNTYKBXSQNO-UHFFFAOYSA-N -1 3 414.307 3.778 20 0 HHADHM COc1ccc(Cn2cc(C(=O)Nc3cc(Br)ccc3[O-])cn2)cc1 ZINC000531492668 1006229445 /nfs/dbraw/zinc/22/94/45/1006229445.db2.gz JBNGANPVIWJANA-UHFFFAOYSA-N -1 3 402.248 3.660 20 0 HHADHM CCOc1ccccc1C(=O)NCCCC(=O)Nc1cc(Br)ccc1[O-] ZINC000531492598 1006229691 /nfs/dbraw/zinc/22/96/91/1006229691.db2.gz KEITUQANPFSPMZ-UHFFFAOYSA-N -1 3 421.291 3.702 20 0 HHADHM O=C(CNC(=O)c1ccccc1C(F)(F)F)Nc1ccc(Br)cc1[O-] ZINC000531505742 1006238284 /nfs/dbraw/zinc/23/82/84/1006238284.db2.gz RNVLMFYCYMFYRY-UHFFFAOYSA-N -1 3 417.181 3.542 20 0 HHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1ccc(OCC(F)(F)F)nc1 ZINC000531605560 1006302267 /nfs/dbraw/zinc/30/22/67/1006302267.db2.gz KFACOBZUEGAZSI-UHFFFAOYSA-N -1 3 418.368 3.695 20 0 HHADHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)c1 ZINC000531618584 1006308672 /nfs/dbraw/zinc/30/86/72/1006308672.db2.gz VBCOWXGHLVWZOA-UHFFFAOYSA-N -1 3 421.428 3.672 20 0 HHADHM CSc1ccc(N2C[C@@H](C(=O)Nc3ccc(Br)cc3[O-])CC2=O)cc1 ZINC000515205872 1006338956 /nfs/dbraw/zinc/33/89/56/1006338956.db2.gz KCRSMFOKJDHYDN-NSHDSACASA-N -1 3 421.316 3.868 20 0 HHADHM CSc1ccc(N2C[C@H](C(=O)Nc3ccc(Br)cc3[O-])CC2=O)cc1 ZINC000515205871 1006339101 /nfs/dbraw/zinc/33/91/01/1006339101.db2.gz KCRSMFOKJDHYDN-LLVKDONJSA-N -1 3 421.316 3.868 20 0 HHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000515239690 1006352983 /nfs/dbraw/zinc/35/29/83/1006352983.db2.gz MIPZYDHJQUVYCF-NRFANRHFSA-N -1 3 416.403 3.540 20 0 HHADHM O=C(CNC(=O)c1ccc([O-])cc1)NCc1ccc(-c2ccc(Cl)cc2)cc1F ZINC000531758642 1006402670 /nfs/dbraw/zinc/40/26/70/1006402670.db2.gz MUSUYFKVXSQOTK-UHFFFAOYSA-N -1 3 412.848 3.898 20 0 HHADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(OCC(=O)N(C)C)c(Cl)c2)cc1CC ZINC000534499066 1006498042 /nfs/dbraw/zinc/49/80/42/1006498042.db2.gz UCIXUWIOEOXFPE-UHFFFAOYSA-N -1 3 424.950 3.733 20 0 HHADHM O=S(=O)([N-]c1ccc(F)cc1)c1ccc(CNCc2cn3ccccc3n2)cc1 ZINC000531884814 1006498035 /nfs/dbraw/zinc/49/80/35/1006498035.db2.gz ZFVVKKVHYVVVEM-UHFFFAOYSA-N -1 3 410.474 3.564 20 0 HHADHM CC[C@@H]([N-]S(=O)(=O)c1cc(F)c(Br)cc1F)c1c(C)noc1C ZINC000534510510 1006507818 /nfs/dbraw/zinc/50/78/18/1006507818.db2.gz UCRFOQLKIMDGLA-GFCCVEGCSA-N -1 3 409.252 3.762 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)Nc1c[nH]c(=O)c(C)c1 ZINC000534550407 1006541438 /nfs/dbraw/zinc/54/14/38/1006541438.db2.gz SXDKMGSKURBFOA-UHFFFAOYSA-N -1 3 415.446 3.596 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1ccn(Cc2ccccc2)n1 ZINC000531968491 1006551809 /nfs/dbraw/zinc/55/18/09/1006551809.db2.gz STGLBGJJGKUXAS-UHFFFAOYSA-N -1 3 401.264 3.721 20 0 HHADHM Cc1nc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)sc1Cc1ccccc1F ZINC000515634765 1006570973 /nfs/dbraw/zinc/57/09/73/1006570973.db2.gz KIZXZEKUHMYPHA-UHFFFAOYSA-N -1 3 400.479 3.865 20 0 HHADHM CCOC(=O)Cn1ccc2cc(NC(=O)c3c[n-]c4c(C)cc(F)cc4c3=O)ccc21 ZINC000532026871 1006583956 /nfs/dbraw/zinc/58/39/56/1006583956.db2.gz JCXKHWGARKRSGA-UHFFFAOYSA-N -1 3 421.428 3.746 20 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HHADHM O=S(=O)([N-]c1ccccc1F)c1cccc(-c2nc(Cc3cccnc3)no2)c1 ZINC000551037002 1010330502 /nfs/dbraw/zinc/33/05/02/1010330502.db2.gz AWONBJTZBBLPLY-UHFFFAOYSA-N -1 3 410.430 3.662 20 0 HHADHM COCc1nc(C(=O)[N-]c2sc3c(c2C(=O)c2cccc(OC)c2)CCC3)co1 ZINC000547540785 1010345209 /nfs/dbraw/zinc/34/52/09/1010345209.db2.gz PMCSIRZRNVRXLF-UHFFFAOYSA-N -1 3 412.467 3.863 20 0 HHADHM Brc1cccc(-c2nc(-c3noc(Cc4ccc5c(c4)CCO5)n3)n[n-]2)c1 ZINC000551071277 1010348541 /nfs/dbraw/zinc/34/85/41/1010348541.db2.gz HXHMUWGASCNXRX-UHFFFAOYSA-N -1 3 424.258 3.810 20 0 HHADHM O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1cc([O-])ccc1Cl ZINC000551102950 1010367764 /nfs/dbraw/zinc/36/77/64/1010367764.db2.gz XSXCKXLWKFYYGH-INIZCTEOSA-N -1 3 410.804 3.572 20 0 HHADHM CCCN1Cc2cccc(NC(=O)c3ccc(I)c([O-])c3)c2C1 ZINC000544833126 1010424327 /nfs/dbraw/zinc/42/43/27/1010424327.db2.gz PBULOXBKFWZYAA-UHFFFAOYSA-N -1 3 422.266 3.975 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)[C@@H]3CC=CC[C@H]3C)c2)cc1 ZINC000551209647 1010441733 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ZKPUECNUQYZLHL-OAHLLOKOSA-N -1 3 414.506 3.595 20 0 HHADHM COc1ccc([C@@H](C)NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)cc1F ZINC000522149579 1010835036 /nfs/dbraw/zinc/83/50/36/1010835036.db2.gz XZLRASNIUBYMLI-SNVBAGLBSA-N -1 3 419.250 3.929 20 0 HHADHM CC(C)COC[C@@H]([N-]S(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1)c1ccco1 ZINC000522301150 1010916824 /nfs/dbraw/zinc/91/68/24/1010916824.db2.gz GVHAKRQSLQOPTG-GOSISDBHSA-N -1 3 422.547 3.956 20 0 HHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(OCC(=O)N(C)C)c(Cl)c2)c(C)c1 ZINC000522360165 1010956187 /nfs/dbraw/zinc/95/61/87/1010956187.db2.gz XZSCSDFTNLHHBY-UHFFFAOYSA-N -1 3 410.923 3.533 20 0 HHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CSc2ccccc21 ZINC000522818593 1011253013 /nfs/dbraw/zinc/25/30/13/1011253013.db2.gz DOQVCAZCEWFLJX-LBPRGKRZSA-N -1 3 416.446 3.905 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)N3CCO[C@H](Cc4ccccc4)C3)cc2)cc(=O)[n-]1 ZINC000540648068 1011299016 /nfs/dbraw/zinc/29/90/16/1011299016.db2.gz QHSUZFDKRMHEOV-HXUWFJFHSA-N -1 3 404.470 3.633 20 0 HHADHM COC(=O)C1(c2ccc(S(=O)(=O)[N-]c3ccc(OC(C)C)cc3C)cc2)CC1 ZINC000540648234 1011299231 /nfs/dbraw/zinc/29/92/31/1011299231.db2.gz WPLKBKCPQIVOHV-UHFFFAOYSA-N -1 3 403.500 3.788 20 0 HHADHM O=C([O-])c1cnc2ccccc2c1N1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000540700834 1011353557 /nfs/dbraw/zinc/35/35/57/1011353557.db2.gz ZSMGFKIFQMYKTE-UHFFFAOYSA-N -1 3 411.889 3.787 20 0 HHADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000536210326 1011357601 /nfs/dbraw/zinc/35/76/01/1011357601.db2.gz VQWCIJGNOKJIPL-SSDOTTSWSA-N -1 3 404.186 3.640 20 0 HHADHM CSc1ccccc1CC(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000540770141 1011426419 /nfs/dbraw/zinc/42/64/19/1011426419.db2.gz ARYKEDQQNRXXOT-UHFFFAOYSA-N -1 3 418.462 3.980 20 0 HHADHM O=S(=O)([N-]c1ccc(CCN2CCSCC2)cc1)c1ccc(Cl)s1 ZINC000523044432 1011512728 /nfs/dbraw/zinc/51/27/28/1011512728.db2.gz OFDUWTPLIXJHJX-UHFFFAOYSA-N -1 3 402.994 3.794 20 0 HHADHM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000540857670 1011525780 /nfs/dbraw/zinc/52/57/80/1011525780.db2.gz BEELQHKHQJJNRN-UHFFFAOYSA-N -1 3 421.482 3.639 20 0 HHADHM CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1 ZINC000523130395 1011599582 /nfs/dbraw/zinc/59/95/82/1011599582.db2.gz WPKAPLGURMSWCD-UHFFFAOYSA-N -1 3 416.952 3.991 20 0 HHADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000523130395 1011599593 /nfs/dbraw/zinc/59/95/93/1011599593.db2.gz WPKAPLGURMSWCD-UHFFFAOYSA-N -1 3 416.952 3.991 20 0 HHADHM O=C(CSCC(F)(F)F)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000536464396 1011682449 /nfs/dbraw/zinc/68/24/49/1011682449.db2.gz PEJWDZYWNMPBBM-UHFFFAOYSA-N -1 3 410.845 3.518 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000536612763 1011771958 /nfs/dbraw/zinc/77/19/58/1011771958.db2.gz PJIXGAQBMZFFFV-MUJYYYPQSA-N -1 3 420.506 3.621 20 0 HHADHM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)Cc1cccc2c1OCCO2 ZINC000536653575 1011802536 /nfs/dbraw/zinc/80/25/36/1011802536.db2.gz UAAQBDQYJWGFLQ-UHFFFAOYSA-N -1 3 424.522 3.891 20 0 HHADHM CCc1cccc(C(=O)Nc2cc(OC)c(OC)cc2C(=O)N2CCCCC2)c1[O-] ZINC000536694176 1011860360 /nfs/dbraw/zinc/86/03/60/1011860360.db2.gz UTLWWKMRASFZQB-UHFFFAOYSA-N -1 3 412.486 3.850 20 0 HHADHM Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)C1 ZINC000523415034 1011895946 /nfs/dbraw/zinc/89/59/46/1011895946.db2.gz DZAHTBGQIKQVPU-PXNSSMCTSA-N -1 3 416.525 3.786 20 0 HHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cc4cnn(C(C)C)c4nc3C)cc2)n1 ZINC000523419327 1011903569 /nfs/dbraw/zinc/90/35/69/1011903569.db2.gz YLNZUEADQQPHJU-UHFFFAOYSA-N -1 3 402.458 3.632 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N(C)[C@H](C)Cc2ccc(C)cc2)cc1OC ZINC000523422725 1011909071 /nfs/dbraw/zinc/90/90/71/1011909071.db2.gz YIXJKHNTTXBTPW-MRXNPFEDSA-N -1 3 419.547 3.860 20 0 HHADHM O=C(Nc1ncccc1[O-])[C@@H]1CCC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000541237094 1011915454 /nfs/dbraw/zinc/91/54/54/1011915454.db2.gz CWCNUGSOWPBGNU-DENIHFKCSA-N -1 3 401.466 3.906 20 0 HHADHM O=S(=O)([N-]CCc1ccc2ccccc2n1)c1cccc(Br)c1F ZINC000541239834 1011917885 /nfs/dbraw/zinc/91/78/85/1011917885.db2.gz PKWZZVGZJZZSAV-UHFFFAOYSA-N -1 3 409.280 3.657 20 0 HHADHM O=C(NCc1ccc(Cn2cnc3ccccc32)cc1)NCc1ccc([O-])c(F)c1 ZINC000523429979 1011918198 /nfs/dbraw/zinc/91/81/98/1011918198.db2.gz LFTRLRPEWFQBGC-UHFFFAOYSA-N -1 3 404.445 3.929 20 0 HHADHM CC(C)(C(=O)Nc1ccc(Cc2nnn[n-]2)cc1)c1csc(-c2ccccc2F)n1 ZINC000551851587 1012004805 /nfs/dbraw/zinc/00/48/05/1012004805.db2.gz XBJVUJKZNYKUMU-UHFFFAOYSA-N -1 3 422.489 3.969 20 0 HHADHM CC(C)(C(=O)Nc1ccc(Cc2nn[n-]n2)cc1)c1csc(-c2ccccc2F)n1 ZINC000551851587 1012004824 /nfs/dbraw/zinc/00/48/24/1012004824.db2.gz XBJVUJKZNYKUMU-UHFFFAOYSA-N -1 3 422.489 3.969 20 0 HHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1cccc2cccc(Br)c21 ZINC000552109415 1012124992 /nfs/dbraw/zinc/12/49/92/1012124992.db2.gz UMTASLQVJJMDAX-UHFFFAOYSA-N -1 3 408.259 3.959 20 0 HHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1cccc2cccc(Br)c21 ZINC000552109415 1012125001 /nfs/dbraw/zinc/12/50/01/1012125001.db2.gz UMTASLQVJJMDAX-UHFFFAOYSA-N -1 3 408.259 3.959 20 0 HHADHM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(Cc3nnc4ccccn43)cc2)cc1 ZINC000536895904 1012151061 /nfs/dbraw/zinc/15/10/61/1012151061.db2.gz DOXBLZFASCLSHJ-UHFFFAOYSA-N -1 3 422.510 3.908 20 0 HHADHM Cc1ncc(CNC(=O)c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)c(=O)[n-]1 ZINC000541457191 1012217689 /nfs/dbraw/zinc/21/76/89/1012217689.db2.gz RJQPCDKRNURBOJ-UHFFFAOYSA-N -1 3 409.833 3.520 20 0 HHADHM Cc1ncc(CNC(=O)c2ccccc2C(=O)c2ccc(Cl)c(Cl)c2)c(=O)[n-]1 ZINC000541530038 1012311661 /nfs/dbraw/zinc/31/16/61/1012311661.db2.gz RQKPPPWSEYJRCE-UHFFFAOYSA-N -1 3 416.264 3.958 20 0 HHADHM O=S(=O)([N-][C@@H]1CCO[C@@H](c2ccccc2)C1)c1cccc(Br)c1F ZINC000541535359 1012319876 /nfs/dbraw/zinc/31/98/76/1012319876.db2.gz HXCDMQXTACRQCK-UKRRQHHQSA-N -1 3 414.296 3.787 20 0 HHADHM O=S(=O)([N-][C@H](c1ccccc1)[C@@H]1CCOC1)c1cccc(Br)c1F ZINC000541538667 1012322178 /nfs/dbraw/zinc/32/21/78/1012322178.db2.gz LTHOUGOSXDAZAS-CXAGYDPISA-N -1 3 414.296 3.644 20 0 HHADHM COC(=O)[C@@H]([N-]S(=O)(=O)c1cccc(C(C)C)c1)c1ccc(OC(F)F)cc1 ZINC000537018424 1012322984 /nfs/dbraw/zinc/32/29/84/1012322984.db2.gz YQLHIEKKMPJYRF-KRWDZBQOSA-N -1 3 413.442 3.604 20 0 HHADHM CCc1nc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccc(OC)cc3)c2)co1 ZINC000541557584 1012344618 /nfs/dbraw/zinc/34/46/18/1012344618.db2.gz CFGFEPVOVQAKAU-UHFFFAOYSA-N -1 3 415.471 3.607 20 0 HHADHM CN(CCOCc1ccccc1)C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000541561703 1012349379 /nfs/dbraw/zinc/34/93/79/1012349379.db2.gz HVHOELMVWQFOGG-UHFFFAOYSA-N -1 3 415.287 3.579 20 0 HHADHM CCC[C@H](C)N(C)C(=O)NCc1cccc([N-]S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000523770124 1012404464 /nfs/dbraw/zinc/40/44/64/1012404464.db2.gz JUNYUITUDXIRCA-INIZCTEOSA-N -1 3 419.547 3.826 20 0 HHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N[C@@H](C)c3ncc(C)s3)nc(=O)c2c1C ZINC000541684613 1012522727 /nfs/dbraw/zinc/52/27/27/1012522727.db2.gz RDDZLCGYJZRZBX-MNOVXSKESA-N -1 3 406.533 3.646 20 0 HHADHM Cc1cccc(C2=CCN(C(=O)CCc3c(C)nc(-c4ccncc4)[n-]c3=O)CC2)c1 ZINC000552698671 1012708914 /nfs/dbraw/zinc/70/89/14/1012708914.db2.gz DPVLWRBZFPHPQQ-UHFFFAOYSA-N -1 3 414.509 3.697 20 0 HHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H]2CSc3ccccc32)cc1Cl ZINC000524013778 1012759372 /nfs/dbraw/zinc/75/93/72/1012759372.db2.gz GPCXOQAEVLLGJW-CQSZACIVSA-N -1 3 400.884 3.563 20 0 HHADHM CCOC(=O)c1cc(NC(=O)c2cc(NC(=O)CC(C)(C)C)ccc2Cl)[n-]n1 ZINC000541905030 1012764146 /nfs/dbraw/zinc/76/41/46/1012764146.db2.gz OBTSDAVBVWDTRT-UHFFFAOYSA-N -1 3 406.870 3.867 20 0 HHADHM CCOC(=O)c1cc(NC(=O)c2cc(NC(=O)CC(C)(C)C)ccc2Cl)n[n-]1 ZINC000541905030 1012764166 /nfs/dbraw/zinc/76/41/66/1012764166.db2.gz OBTSDAVBVWDTRT-UHFFFAOYSA-N -1 3 406.870 3.867 20 0 HHADHM CCOC(=O)c1cc(NC(=O)c2cc(C(C)C)nc3c2c(C)nn3C(C)(C)C)[n-]n1 ZINC000541904384 1012764511 /nfs/dbraw/zinc/76/45/11/1012764511.db2.gz NWCYANLEEHTXMH-UHFFFAOYSA-N -1 3 412.494 3.770 20 0 HHADHM CCOC(=O)c1cc(NC(=O)c2cc(C(C)C)nc3c2c(C)nn3C(C)(C)C)n[n-]1 ZINC000541904384 1012764522 /nfs/dbraw/zinc/76/45/22/1012764522.db2.gz NWCYANLEEHTXMH-UHFFFAOYSA-N -1 3 412.494 3.770 20 0 HHADHM COC(=O)C1(c2ccc(S(=O)(=O)[N-]c3c(F)cccc3NC(C)C)cc2)CC1 ZINC000537347495 1012811452 /nfs/dbraw/zinc/81/14/52/1012811452.db2.gz MZYQIYBPYJJQPN-UHFFFAOYSA-N -1 3 406.479 3.651 20 0 HHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccnc(N2CCc3ccccc3C2)c1 ZINC000552920255 1012918527 /nfs/dbraw/zinc/91/85/27/1012918527.db2.gz QKCWVVVOIAQYJG-UHFFFAOYSA-N -1 3 417.513 3.998 20 0 HHADHM COCCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)c(C)c1 ZINC000614852944 1071770611 /nfs/dbraw/zinc/77/06/11/1071770611.db2.gz PKKPMFCLZPNXNU-UHFFFAOYSA-N -1 3 420.531 3.806 20 0 HHADHM CSCC[C@H]([N-]S(=O)(=O)c1ccc(C)cc1)c1nc(-c2cccc(F)c2)no1 ZINC000904533291 1071800091 /nfs/dbraw/zinc/80/00/91/1071800091.db2.gz MQARIGCZBHBMBF-KRWDZBQOSA-N -1 3 421.519 3.957 20 0 HHADHM C[C@H](COC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)C(F)(F)F ZINC000785417091 1071805074 /nfs/dbraw/zinc/80/50/74/1071805074.db2.gz MLUNGKKIVQWXAA-LLVKDONJSA-N -1 3 405.369 3.982 20 0 HHADHM COc1cccc([O-])c1C(=O)N1C[C@H]2CCCC[C@@]2(CNC(=O)OC(C)(C)C)C1 ZINC001648988714 1071842881 /nfs/dbraw/zinc/84/28/81/1071842881.db2.gz ARRNPTGVASZDEE-IVZQSRNASA-N -1 3 404.507 3.558 20 0 HHADHM COc1c(C)cc(-c2noc([C@@H](N)CCc3cc(=O)oc4cc([O-])ccc34)n2)cc1C ZINC001212097759 1072074550 /nfs/dbraw/zinc/07/45/50/1072074550.db2.gz HYTHUELDPLYQTQ-SFHVURJKSA-N -1 3 421.453 3.807 20 0 HHADHM Cc1ccc(-c2noc([C@@H](N)CCc3cc(=O)oc4cc([O-])ccc34)n2)c(F)c1F ZINC001212097702 1072074632 /nfs/dbraw/zinc/07/46/32/1072074632.db2.gz FIEQCHARFAJQLF-HNNXBMFYSA-N -1 3 413.380 3.768 20 0 HHADHM N[C@@H](CCc1cc(=O)oc2cc([O-])ccc12)c1nc(-c2cccc3occc32)no1 ZINC001212098030 1072075904 /nfs/dbraw/zinc/07/59/04/1072075904.db2.gz VAYBOIWMRGPTTC-KRWDZBQOSA-N -1 3 403.394 3.927 20 0 HHADHM CCc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)Cc3ccc(Cl)nc3)n2)cc1 ZINC000760628604 1072198592 /nfs/dbraw/zinc/19/85/92/1072198592.db2.gz INTSYZSRQXYQRN-LBPRGKRZSA-N -1 3 406.895 3.528 20 0 HHADHM CC(C)N(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)cc1F ZINC000760312116 1072243933 /nfs/dbraw/zinc/24/39/33/1072243933.db2.gz ZWCFYBLRICOGIO-UHFFFAOYSA-N -1 3 405.495 3.701 20 0 HHADHM COC(=O)c1cc(C)c([N-]S(=O)(=O)c2ccc(OC)cc2Cl)c(Cl)c1 ZINC000570479998 1072253252 /nfs/dbraw/zinc/25/32/52/1072253252.db2.gz SOUTUTMOXGLRAT-UHFFFAOYSA-N -1 3 404.271 3.898 20 0 HHADHM CC(C)c1cccc(N(C)C(=O)C[C@@H](C)[N-]S(=O)(=O)c2cccnc2Cl)c1 ZINC000760444168 1072354499 /nfs/dbraw/zinc/35/44/99/1072354499.db2.gz DZQXYWFVNVMTCC-CQSZACIVSA-N -1 3 409.939 3.578 20 0 HHADHM CCOC(=O)Nc1ccc2c(COC(=O)c3cc(-c4ccco4)[n-]n3)cc(=O)oc2c1 ZINC000913298658 1072360057 /nfs/dbraw/zinc/36/00/57/1072360057.db2.gz PZUJJCSTWHDHPE-UHFFFAOYSA-N -1 3 423.381 3.702 20 0 HHADHM CCOC(=O)Nc1ccc2c(COC(=O)c3cc(-c4ccco4)n[n-]3)cc(=O)oc2c1 ZINC000913298658 1072360068 /nfs/dbraw/zinc/36/00/68/1072360068.db2.gz PZUJJCSTWHDHPE-UHFFFAOYSA-N -1 3 423.381 3.702 20 0 HHADHM O=C(Nc1ccc2ccccc2c1)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000729833708 1072395863 /nfs/dbraw/zinc/39/58/63/1072395863.db2.gz OYBOZRQJSZTOGU-UHFFFAOYSA-N -1 3 402.422 3.811 20 0 HHADHM CC(C)[C@H](CNC(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F)c1ccccc1 ZINC000729840599 1072435170 /nfs/dbraw/zinc/43/51/70/1072435170.db2.gz XZNWDDIZKKLLEY-INIZCTEOSA-N -1 3 422.497 3.575 20 0 HHADHM O=C(Nc1cccc(S(=O)(=O)C2CCOCC2)c1)c1cc([O-])c2ccccc2c1 ZINC000571217194 1072584485 /nfs/dbraw/zinc/58/44/85/1072584485.db2.gz BIOYSEKBRIRFTA-UHFFFAOYSA-N -1 3 411.479 3.750 20 0 HHADHM CCc1c(NC(=O)c2cccc3n[n-]nc32)cnn1-c1cccc(C(F)(F)F)c1 ZINC000565750794 1072607325 /nfs/dbraw/zinc/60/73/25/1072607325.db2.gz WUZKKWGPASXTEY-UHFFFAOYSA-N -1 3 400.364 3.977 20 0 HHADHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@@H](CC(F)(F)F)c1ccccc1 ZINC000571689454 1072698284 /nfs/dbraw/zinc/69/82/84/1072698284.db2.gz SVIFTNGUNISLTI-ZDUSSCGKSA-N -1 3 405.394 3.655 20 0 HHADHM COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2cc(Br)c(F)cc2C)c1 ZINC000479124114 1072760817 /nfs/dbraw/zinc/76/08/17/1072760817.db2.gz AMEDCSJUTPABMI-UHFFFAOYSA-N -1 3 420.231 3.623 20 0 HHADHM Cc1nc(C)c(CCC(=O)NCc2ccc(OC(C)C)cc2C(F)(F)F)c(=O)[n-]1 ZINC000588070755 1072777381 /nfs/dbraw/zinc/77/73/81/1072777381.db2.gz WSRNPGLETZHAGO-UHFFFAOYSA-N -1 3 411.424 3.854 20 0 HHADHM O=S(=O)([N-]c1c(Oc2ccc(Cl)cc2)ccc2ncccc21)N1CCOCC1 ZINC000479380265 1072788464 /nfs/dbraw/zinc/78/84/64/1072788464.db2.gz TTZOFIIUAUMNTO-UHFFFAOYSA-N -1 3 419.890 3.669 20 0 HHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)Nc3ccnn3C)ccc2C)c(C)c1 ZINC000588103532 1072825000 /nfs/dbraw/zinc/82/50/00/1072825000.db2.gz KEDSYDHMBAIKIL-UHFFFAOYSA-N -1 3 412.515 3.707 20 0 HHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1F ZINC000898520878 1072869090 /nfs/dbraw/zinc/86/90/90/1072869090.db2.gz HUPMEWYXTHDXRG-UHFFFAOYSA-N -1 3 424.480 3.990 20 0 HHADHM CCSc1cccc(F)c1[N-]S(=O)(=O)c1ccc(C2(C(=O)OC)CC2)cc1 ZINC000572249586 1073221470 /nfs/dbraw/zinc/22/14/70/1073221470.db2.gz QFFATEWYWQGIND-UHFFFAOYSA-N -1 3 409.504 3.943 20 0 HHADHM COc1cc(C(=O)NCC[C@H](O)c2ccc(Cl)c(Cl)c2)cc(OC)c1[O-] ZINC000760706431 1073232654 /nfs/dbraw/zinc/23/26/54/1073232654.db2.gz OKHFSLIHWLDBES-AWEZNQCLSA-N -1 3 400.258 3.570 20 0 HHADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2C)cc1 ZINC000588834019 1073295878 /nfs/dbraw/zinc/29/58/78/1073295878.db2.gz IPMTYBDORNFJFD-UHFFFAOYSA-N -1 3 414.321 3.974 20 0 HHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1cccc(Br)c1C ZINC000588862424 1073311831 /nfs/dbraw/zinc/31/18/31/1073311831.db2.gz QTXPHANBRVJBJB-UHFFFAOYSA-N -1 3 413.275 3.805 20 0 HHADHM Cc1ccccc1COc1cccc(CC(=O)NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000600201249 1073617630 /nfs/dbraw/zinc/61/76/30/1073617630.db2.gz NXGNZEUVUSOTBO-UHFFFAOYSA-N -1 3 413.481 3.613 20 0 HHADHM Cc1ccccc1COc1cccc(CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000600201249 1073617636 /nfs/dbraw/zinc/61/76/36/1073617636.db2.gz NXGNZEUVUSOTBO-UHFFFAOYSA-N -1 3 413.481 3.613 20 0 HHADHM COCC1(CNC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CCCCC1 ZINC000555639908 1073694816 /nfs/dbraw/zinc/69/48/16/1073694816.db2.gz RVJILIDCALWQQG-UHFFFAOYSA-N -1 3 407.308 3.617 20 0 HHADHM COc1cccc(N2CC[C@H](NC(=O)Nc3ccc(-c4cc(=O)[n-]c(C)n4)cc3)C2)c1 ZINC000590529743 1073906751 /nfs/dbraw/zinc/90/67/51/1073906751.db2.gz TYVUPIJWYNNBRW-SFHVURJKSA-N -1 3 419.485 3.567 20 0 HHADHM COc1ccc(C)cc1C[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000590792495 1074005797 /nfs/dbraw/zinc/00/57/97/1074005797.db2.gz GLAIAMWJMLQPJC-UHFFFAOYSA-N -1 3 406.248 3.523 20 0 HHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000590920133 1074038288 /nfs/dbraw/zinc/03/82/88/1074038288.db2.gz YIVRMJZTGARQSM-UHFFFAOYSA-N -1 3 400.438 3.598 20 0 HHADHM CCN1CCCC[C@H]1C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000591093351 1074107660 /nfs/dbraw/zinc/10/76/60/1074107660.db2.gz QNRKRLLAFSZMET-FQEVSTJZSA-N -1 3 401.532 3.609 20 0 HHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CCNC(=O)c2ccccc2Cl)c1Cl ZINC000615212313 1074122577 /nfs/dbraw/zinc/12/25/77/1074122577.db2.gz KLJRSIDWKXCPTM-UHFFFAOYSA-N -1 3 421.733 3.664 20 0 HHADHM O=C(CCSc1ccc(Br)cc1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000591175367 1074143508 /nfs/dbraw/zinc/14/35/08/1074143508.db2.gz UCSHDJWSODLDSH-UHFFFAOYSA-N -1 3 404.293 3.750 20 0 HHADHM O=C(CCSc1ccc(Br)cc1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000591175367 1074143511 /nfs/dbraw/zinc/14/35/11/1074143511.db2.gz UCSHDJWSODLDSH-UHFFFAOYSA-N -1 3 404.293 3.750 20 0 HHADHM CSCC[C@H]([N-]S(=O)(=O)c1ccc(C)cc1)c1nc(-c2ccccc2)no1 ZINC000904235148 1074186745 /nfs/dbraw/zinc/18/67/45/1074186745.db2.gz PFSHRNHVNVJYJD-KRWDZBQOSA-N -1 3 403.529 3.818 20 0 HHADHM COc1ccccc1-c1noc([C@@H](CCSC)[N-]S(=O)(=O)c2ccccc2)n1 ZINC000904270180 1074188700 /nfs/dbraw/zinc/18/87/00/1074188700.db2.gz IBJJCRKCIOFWMG-MRXNPFEDSA-N -1 3 419.528 3.518 20 0 HHADHM CSCC[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1)c1nc(-c2ccc(O)cc2)no1 ZINC000904307589 1074195268 /nfs/dbraw/zinc/19/52/68/1074195268.db2.gz YZADVGAYDJMZDH-QGZVFWFLSA-N -1 3 419.528 3.523 20 0 HHADHM Cc1ncsc1CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000591247268 1074206930 /nfs/dbraw/zinc/20/69/30/1074206930.db2.gz FHZBLLOMVMENFX-UHFFFAOYSA-N -1 3 419.503 3.630 20 0 HHADHM CCCCc1noc([C@@H](C)OC(=O)c2ccc(I)c([O-])c2)n1 ZINC000760815256 1074213746 /nfs/dbraw/zinc/21/37/46/1074213746.db2.gz CXZYIFGGPDRMDM-SECBINFHSA-N -1 3 416.215 3.640 20 0 HHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CCc2ccc(Cl)s2)cc1Cl ZINC000591386755 1074261837 /nfs/dbraw/zinc/26/18/37/1074261837.db2.gz BTGKAGDUWOSPKX-UHFFFAOYSA-N -1 3 411.307 3.673 20 0 HHADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000591394865 1074289585 /nfs/dbraw/zinc/28/95/85/1074289585.db2.gz UYDOEZXXQXOCOV-OAHLLOKOSA-N -1 3 407.492 3.910 20 0 HHADHM COc1ccc(COCc2cccc(NC(=O)c3ccc4c(c3)C(=O)[N-]C4=O)c2)cc1 ZINC000591446995 1074303055 /nfs/dbraw/zinc/30/30/55/1074303055.db2.gz RGIUDAQNPFTVJW-UHFFFAOYSA-N -1 3 416.433 3.548 20 0 HHADHM CN(CCCCCc1cc(-c2ccccc2)no1)C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000591453565 1074306788 /nfs/dbraw/zinc/30/67/88/1074306788.db2.gz LUWKLOAHWLPKPK-UHFFFAOYSA-N -1 3 417.465 3.710 20 0 HHADHM CCOc1cccc2cc([C@H](C)[N-]S(=O)(=O)c3ccsc3C(=O)OC)oc21 ZINC000591587071 1074429036 /nfs/dbraw/zinc/42/90/36/1074429036.db2.gz UBQXOCKDGWODBT-NSHDSACASA-N -1 3 409.485 3.719 20 0 HHADHM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(CS(=O)(=O)C(C)(C)C)cc3)ccc2O1 ZINC000592006922 1074656044 /nfs/dbraw/zinc/65/60/44/1074656044.db2.gz MGLLNADTYXLUFV-AWEZNQCLSA-N -1 3 423.556 3.524 20 0 HHADHM Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3ccc4c(c3)C[C@H](C)O4)cc2F)n1 ZINC000592003011 1074665124 /nfs/dbraw/zinc/66/51/24/1074665124.db2.gz DSJIICJNIQJAIY-AWEZNQCLSA-N -1 3 401.463 3.752 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)NC1CCC(O)(c2ccccc2)CC1 ZINC000760994488 1075109330 /nfs/dbraw/zinc/10/93/30/1075109330.db2.gz GOBGLTNGTBCSMH-UHFFFAOYSA-N -1 3 419.319 3.784 20 0 HHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)N(C)[C@@H]3CCOC3)ccc2C)c(C)c1 ZINC000592802476 1075119295 /nfs/dbraw/zinc/11/92/95/1075119295.db2.gz 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413.499 3.664 20 0 HHADHM CCc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccc4c(c3)CCCO4)n2)cc1 ZINC000537842295 1013404374 /nfs/dbraw/zinc/40/43/74/1013404374.db2.gz SDDLBJZNOUWHII-AWEZNQCLSA-N -1 3 413.499 3.664 20 0 HHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCCOc3ccccc3)c2)cc1 ZINC000017850248 963235674 /nfs/dbraw/zinc/23/56/74/963235674.db2.gz FOWMAXXQFPTPCZ-UHFFFAOYSA-N -1 3 424.522 3.913 20 0 HHADHM Cc1nc2sccc2c(=O)n1[N-]C(=O)COc1cc(Cl)c(Cl)cc1Cl ZINC000018231669 963292758 /nfs/dbraw/zinc/29/27/58/963292758.db2.gz RERUWBUKCVKENE-UHFFFAOYSA-N -1 3 418.689 3.876 20 0 HHADHM C[C@@H]1C[C@H](C)CN(C(=O)c2cc(S(=O)(=O)[N-]C3CC3)c(Cl)cc2Cl)C1 ZINC000022061300 963586262 /nfs/dbraw/zinc/58/62/62/963586262.db2.gz HWMZOJKAOGKOFR-PHIMTYICSA-N -1 3 405.347 3.552 20 0 HHADHM COC(=O)c1sc2[n-]c(CNC(c3ccccc3)c3ccccc3)nc(=O)c2c1C ZINC000023777313 963889965 /nfs/dbraw/zinc/88/99/65/963889965.db2.gz GBMXDSURCQMDRQ-UHFFFAOYSA-N -1 3 419.506 3.959 20 0 HHADHM CCc1nc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3F)c2)co1 ZINC000542515399 1013459077 /nfs/dbraw/zinc/45/90/77/1013459077.db2.gz XYPQQTKXHXVCCH-UHFFFAOYSA-N -1 3 403.435 3.738 20 0 HHADHM CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000553561228 1013457233 /nfs/dbraw/zinc/45/72/33/1013457233.db2.gz YENYTFOXOBJMFJ-OWCLPIDISA-N -1 3 414.449 3.730 20 0 HHADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]Cc1ccccc1F ZINC000024264635 963969705 /nfs/dbraw/zinc/96/97/05/963969705.db2.gz JDXQUEABSMAOKZ-UHFFFAOYSA-N -1 3 408.676 3.729 20 0 HHADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1cccnc1 ZINC000024372862 963989984 /nfs/dbraw/zinc/98/99/84/963989984.db2.gz BXDIJLSPAMOJLK-VIFPVBQESA-N -1 3 405.701 3.546 20 0 HHADHM Cc1nc(C2([N-]S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CCCCCC2)no1 ZINC000024688990 964049382 /nfs/dbraw/zinc/04/93/82/964049382.db2.gz JQQIOONNQMMUBI-UHFFFAOYSA-N -1 3 419.425 3.805 20 0 HHADHM COC(=O)c1cccc(NC(=O)CSc2nnc([N-]c3ccccc3F)s2)c1 ZINC000024799450 964076240 /nfs/dbraw/zinc/07/62/40/964076240.db2.gz GXBWXPXUPQEZGJ-UHFFFAOYSA-N -1 3 418.475 3.938 20 0 HHADHM O=C(NCc1ccccc1)C1CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)CC1 ZINC000024858367 964092295 /nfs/dbraw/zinc/09/22/95/964092295.db2.gz NISYZNWUBWDWLO-UHFFFAOYSA-N -1 3 416.481 3.610 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H]2c3ccc(F)cc3O[C@@H]2C)s1 ZINC000553571694 1013468922 /nfs/dbraw/zinc/46/89/22/1013468922.db2.gz NLCVTAWCGIZHPK-AMIZOPFISA-N -1 3 406.298 3.759 20 0 HHADHM O=S(=O)([N-]C[C@H]1CCCSC1)c1ccc(Br)cc1C(F)(F)F ZINC000553572253 1013469014 /nfs/dbraw/zinc/46/90/14/1013469014.db2.gz XHFYAAXBHAWQEP-SECBINFHSA-N -1 3 418.300 3.889 20 0 HHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)CCc1ncc(-c2ccccc2Cl)o1 ZINC000024893604 964103787 /nfs/dbraw/zinc/10/37/87/964103787.db2.gz FPBBYRRHRRBBSX-UHFFFAOYSA-N -1 3 419.890 3.938 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCc3cnn(-c4ccccc4)c3)c2)n1 ZINC000049302505 964146025 /nfs/dbraw/zinc/14/60/25/964146025.db2.gz KZVNVKHNHZJNMN-UHFFFAOYSA-N -1 3 413.481 3.756 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](C)OCc3cccc(OC)c3)c2)n1 ZINC000049301525 964146304 /nfs/dbraw/zinc/14/63/04/964146304.db2.gz KOCGVVUDUCJDMF-HNNXBMFYSA-N -1 3 407.470 3.552 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CSCc3csc(C)n3)c2)n1 ZINC000049303049 964147638 /nfs/dbraw/zinc/14/76/38/964147638.db2.gz MPDWPBLCCBHGHL-UHFFFAOYSA-N -1 3 400.529 3.636 20 0 HHADHM CCC(=O)c1ccc(OCC(=O)Nc2cccc(-c3nc(CC)cc(=O)[n-]3)c2)cc1 ZINC000049303750 964148051 /nfs/dbraw/zinc/14/80/51/964148051.db2.gz CSCCOMIPWPXNMH-UHFFFAOYSA-N -1 3 405.454 3.610 20 0 HHADHM Cc1sc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)nc1-c1ccc2c(c1)CCC(=O)N2 ZINC000553578013 1013474408 /nfs/dbraw/zinc/47/44/08/1013474408.db2.gz PTEIYPMLRRUOGZ-UHFFFAOYSA-N -1 3 421.482 3.629 20 0 HHADHM NC(=O)Nc1ccc(C(=O)CSc2nnc([N-]c3ccccc3F)s2)cc1 ZINC000025508399 964289764 /nfs/dbraw/zinc/28/97/64/964289764.db2.gz GZVRZMWNBHBRHA-UHFFFAOYSA-N -1 3 403.464 3.886 20 0 HHADHM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(Oc4ccncc4)cc3)ccc21 ZINC000050534552 964348937 /nfs/dbraw/zinc/34/89/37/964348937.db2.gz JAJALTXZRHZGAD-UHFFFAOYSA-N -1 3 409.467 3.584 20 0 HHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000026251802 964504806 /nfs/dbraw/zinc/50/48/06/964504806.db2.gz DKOOYBFKCMKUMM-OAHLLOKOSA-N -1 3 400.364 3.770 20 0 HHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000026251802 964504812 /nfs/dbraw/zinc/50/48/12/964504812.db2.gz DKOOYBFKCMKUMM-OAHLLOKOSA-N -1 3 400.364 3.770 20 0 HHADHM COc1cc(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc(OC)c1OC ZINC000026358533 964537823 /nfs/dbraw/zinc/53/78/23/964537823.db2.gz POYFHYKJIATFPJ-UHFFFAOYSA-N -1 3 412.316 3.559 20 0 HHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)Sc3ncc4ccccn43)nc(=O)c2c1C ZINC000026372663 964544618 /nfs/dbraw/zinc/54/46/18/964544618.db2.gz MFVQPKKKTWITLB-LLVKDONJSA-N -1 3 414.512 3.971 20 0 HHADHM CCCOc1c(Cl)cc(C(=O)N[N-]C(=O)c2ccc3ccccc3n2)cc1OC ZINC000027686465 964943891 /nfs/dbraw/zinc/94/38/91/964943891.db2.gz XCEYHHSYKFJOMD-UHFFFAOYSA-N -1 3 413.861 3.760 20 0 HHADHM O=C(CSCc1nc(=O)c2c(-c3ccco3)csc2[n-]1)NCc1ccccc1 ZINC000028261406 965065802 /nfs/dbraw/zinc/06/58/02/965065802.db2.gz ACRQBBMRDTVKNR-UHFFFAOYSA-N -1 3 411.508 3.794 20 0 HHADHM O=C(NCc1ccnc(Oc2ccccc2)c1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000053279121 965115346 /nfs/dbraw/zinc/11/53/46/965115346.db2.gz PAVCXSIPCDAOTP-FQEVSTJZSA-N -1 3 417.465 3.501 20 0 HHADHM C[C@H](SCC(=O)NCC(F)(F)F)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000028660778 965149319 /nfs/dbraw/zinc/14/93/19/965149319.db2.gz USBMMNDZHNKINY-QMMMGPOBSA-N -1 3 417.434 3.717 20 0 HHADHM COc1cc(F)c(S(=O)(=O)[N-][C@H](C)c2ccccc2C(F)(F)F)cc1OC ZINC000057020129 965252247 /nfs/dbraw/zinc/25/22/47/965252247.db2.gz LXEVAAGXELEMQH-SNVBAGLBSA-N -1 3 407.385 3.901 20 0 HHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N(C)Cc3cccc(OC)c3)nc(=O)c2c1C ZINC000057024608 965254785 /nfs/dbraw/zinc/25/47/85/965254785.db2.gz YZRXVZQEGXJXFJ-ZDUSSCGKSA-N -1 3 415.515 3.671 20 0 HHADHM Cc1nc(C)c(CC(=O)Nc2ncc(Cc3ccc(Cl)cc3C)s2)c(=O)[n-]1 ZINC000057034845 965258711 /nfs/dbraw/zinc/25/87/11/965258711.db2.gz XOGCFZIDHXHDIW-UHFFFAOYSA-N -1 3 402.907 3.577 20 0 HHADHM O=C(NCCNC(=O)c1ccc(CSc2ccccc2)cc1)c1ccc([O-])cc1 ZINC000053741411 965260981 /nfs/dbraw/zinc/26/09/81/965260981.db2.gz ZTGWZNDVXUPNTB-UHFFFAOYSA-N -1 3 406.507 3.844 20 0 HHADHM O=C1[N-]C(=O)C(=CNc2nnc(SCc3cccs3)s2)c2ccccc21 ZINC000029185719 965302670 /nfs/dbraw/zinc/30/26/70/965302670.db2.gz YFNBSYABBJTQCD-MDWZMJQESA-N -1 3 400.510 3.615 20 0 HHADHM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(NS(C)(=O)=O)c2)cc1 ZINC000029403404 965369800 /nfs/dbraw/zinc/36/98/00/965369800.db2.gz FXHRHFQFIRMKII-GFCCVEGCSA-N -1 3 400.497 3.512 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3ccc(O)cc3)c2)cc1 ZINC000057289270 965388887 /nfs/dbraw/zinc/38/88/87/965388887.db2.gz CMMVDZDJZOLIDG-UHFFFAOYSA-N -1 3 412.467 3.762 20 0 HHADHM Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000537998557 1013573836 /nfs/dbraw/zinc/57/38/36/1013573836.db2.gz RYIDUMPYOVESBI-MRXNPFEDSA-N -1 3 415.291 3.608 20 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965631457 /nfs/dbraw/zinc/63/14/57/965631457.db2.gz NNCOHVVHFCHEHG-UHFFFAOYSA-N -1 3 407.451 3.882 20 0 HHADHM CCOC(=O)c1sc2[n-]c(Cc3coc(-c4cccs4)n3)nc(=O)c2c1C ZINC000054752326 965631645 /nfs/dbraw/zinc/63/16/45/965631645.db2.gz ZUERTCBSBNUPBN-UHFFFAOYSA-N -1 3 401.469 3.777 20 0 HHADHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)Cc2csc3ccccc23)ccc1F ZINC000058281183 965674888 /nfs/dbraw/zinc/67/48/88/965674888.db2.gz VODKZARJYMNDEL-UHFFFAOYSA-N -1 3 418.515 3.777 20 0 HHADHM CCCC[C@@H](CC)CNC(=S)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000054984325 965718800 /nfs/dbraw/zinc/71/88/00/965718800.db2.gz GWNKDZZGFHYBCS-CQSZACIVSA-N -1 3 401.598 3.960 20 0 HHADHM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc3nc(C(C)(C)C)[nH]c3c2)o1 ZINC000030562294 965729778 /nfs/dbraw/zinc/72/97/78/965729778.db2.gz VPIWUELTLYLTLC-UHFFFAOYSA-N -1 3 418.519 3.783 20 0 HHADHM Cc1c(C(=O)[N-]c2nnc(C(C)C)s2)nnn1-c1cccc(Br)c1 ZINC000055062873 965748391 /nfs/dbraw/zinc/74/83/91/965748391.db2.gz QKYQHCDUVQUWPN-UHFFFAOYSA-N -1 3 407.297 3.565 20 0 HHADHM O=C(CCc1ccc(-c2ccccc2)o1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000030661486 965759425 /nfs/dbraw/zinc/75/94/25/965759425.db2.gz JDZUIZSUAJQLDR-UHFFFAOYSA-N -1 3 404.466 3.569 20 0 HHADHM CCN(CC(F)F)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000542676319 1013598740 /nfs/dbraw/zinc/59/87/40/1013598740.db2.gz NFKCSLXPTYTDPL-UHFFFAOYSA-N -1 3 412.458 3.532 20 0 HHADHM CCOc1cc(C)ccc1NC(=O)CS(=O)(=O)[N-]c1ccc(OC(C)C)cc1 ZINC000058566207 965786552 /nfs/dbraw/zinc/78/65/52/965786552.db2.gz PNVCYOFBJVKNBP-UHFFFAOYSA-N -1 3 406.504 3.561 20 0 HHADHM O=S(=O)([N-]CCc1ccccc1OC(F)(F)F)c1cccnc1C(F)(F)F ZINC000553767638 1013599511 /nfs/dbraw/zinc/59/95/11/1013599511.db2.gz FZPXBVCLWUJBGR-UHFFFAOYSA-N -1 3 414.327 3.520 20 0 HHADHM Cc1cc(C)cc(OCC(=O)N[N-]C(=O)c2cccnc2Sc2ccccc2)c1 ZINC000030890445 965822764 /nfs/dbraw/zinc/82/27/64/965822764.db2.gz OTGVDXDNGWCKSF-UHFFFAOYSA-N -1 3 407.495 3.690 20 0 HHADHM Cc1ccc(-n2ncc(C(=O)[N-]NC(=O)COc3ccc(C)c(C)c3)c2C(C)C)cc1 ZINC000058744645 965873530 /nfs/dbraw/zinc/87/35/30/965873530.db2.gz VWXGFPYIPKYFMC-UHFFFAOYSA-N -1 3 420.513 3.761 20 0 HHADHM COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2Cc2ccccc2)cc1 ZINC000055558321 965915099 /nfs/dbraw/zinc/91/50/99/965915099.db2.gz IQETXFDAPCGBJU-UHFFFAOYSA-N -1 3 411.479 3.630 20 0 HHADHM NC(=O)c1cc([N-]S(=O)(=O)c2ccc(OCC3CCCCC3)cc2)ccc1F ZINC000055585603 965939111 /nfs/dbraw/zinc/93/91/11/965939111.db2.gz QLDPQYBXHZKKFZ-UHFFFAOYSA-N -1 3 406.479 3.685 20 0 HHADHM Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(=O)n(Cc3ccccc3Cl)c2)c1 ZINC000055630059 965974102 /nfs/dbraw/zinc/97/41/02/965974102.db2.gz NWCWIPDJGLTJKW-UHFFFAOYSA-N -1 3 406.866 3.798 20 0 HHADHM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1C ZINC000055668589 966008952 /nfs/dbraw/zinc/00/89/52/966008952.db2.gz BJIXZSPHAJSJMR-UHFFFAOYSA-N -1 3 410.561 3.855 20 0 HHADHM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C)cc1C ZINC000055668410 966009055 /nfs/dbraw/zinc/00/90/55/966009055.db2.gz FBXOPUZLWZLXPH-UHFFFAOYSA-N -1 3 402.925 3.519 20 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O=C(c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)N1CCC[C@H]1c1ccccc1 ZINC000047271265 968113964 /nfs/dbraw/zinc/11/39/64/968113964.db2.gz BKHNEHQTRVCRKS-FQEVSTJZSA-N -1 3 413.474 3.932 20 0 HHADHM O=C(Nc1cnc2ccccc2c1)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000047297923 968129167 /nfs/dbraw/zinc/12/91/67/968129167.db2.gz PZHFAFCCLGOFOM-UHFFFAOYSA-N -1 3 410.430 3.755 20 0 HHADHM CN(C)S(=O)(=O)c1ccc(C(=O)[N-]c2nc3c(ccc4ccccc34)s2)o1 ZINC000047440909 968192315 /nfs/dbraw/zinc/19/23/15/968192315.db2.gz HPKSKCRAVNPJRQ-UHFFFAOYSA-N -1 3 401.469 3.545 20 0 HHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)OCc2coc(-c3ccccc3)n2)ccc1F ZINC000047762233 968303129 /nfs/dbraw/zinc/30/31/29/968303129.db2.gz PXXCTYHXZLSOBY-UHFFFAOYSA-N -1 3 418.446 3.524 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CSC(F)(F)F)cc2)cc1 ZINC000048124364 968441013 /nfs/dbraw/zinc/44/10/13/968441013.db2.gz ACZZINNQIRQFPP-UHFFFAOYSA-N -1 3 404.435 3.987 20 0 HHADHM Cc1ccc(NC(=O)CS(=O)(=O)[N-]c2ccc(OC(C)C)cc2)c2cccnc12 ZINC000048246417 968500465 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HHADHM O=C([N-]NC(=O)NC1CCCC1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1 ZINC000065919657 968713261 /nfs/dbraw/zinc/71/32/61/968713261.db2.gz DLIFRZCEJQQNRE-UHFFFAOYSA-N -1 3 421.423 3.655 20 0 HHADHM O=S(=O)([N-][C@@H](c1ccccc1)c1ccccn1)c1ccc(Br)s1 ZINC000069093688 968814133 /nfs/dbraw/zinc/81/41/33/968814133.db2.gz OFMFIZDVCATCHU-INIZCTEOSA-N -1 3 409.330 3.974 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3ccc(C)cn3)c2)cc1 ZINC000069741905 968846327 /nfs/dbraw/zinc/84/63/27/968846327.db2.gz QYKXGSQATBZNQD-UHFFFAOYSA-N -1 3 411.483 3.760 20 0 HHADHM COc1cccc(CCC(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)c1 ZINC000078515229 969002518 /nfs/dbraw/zinc/00/25/18/969002518.db2.gz KMHFKKCHHLXKPW-UHFFFAOYSA-N -1 3 416.421 3.657 20 0 HHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000078515305 969002602 /nfs/dbraw/zinc/00/26/02/969002602.db2.gz XSMKDONFZMYSAD-KGLIPLIRSA-N -1 3 416.396 3.958 20 0 HHADHM CCOc1ccc(CC[N-]S(=O)(=O)c2cc(F)ccc2Cl)cc1OCC ZINC000097549447 969158537 /nfs/dbraw/zinc/15/85/37/969158537.db2.gz RWGOPUGINPHHFS-UHFFFAOYSA-N -1 3 401.887 3.798 20 0 HHADHM CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000105165485 969223825 /nfs/dbraw/zinc/22/38/25/969223825.db2.gz GVCAFMYGDDUGOC-UHFFFAOYSA-N -1 3 410.923 3.647 20 0 HHADHM COC(=O)c1cc(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)oc1C ZINC000106051233 969284174 /nfs/dbraw/zinc/28/41/74/969284174.db2.gz YBGFQFCLVFKGQQ-UHFFFAOYSA-N -1 3 411.785 3.525 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cccnc3SC(F)F)c2)n1 ZINC000107750729 969330778 /nfs/dbraw/zinc/33/07/78/969330778.db2.gz BNAJMNSTCQNTDM-UHFFFAOYSA-N -1 3 402.426 3.961 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@@H](C)Oc2ccccc2Cl)cc1OC ZINC000108581698 969396673 /nfs/dbraw/zinc/39/66/73/969396673.db2.gz UDRRXPWIXLTPPG-GFCCVEGCSA-N -1 3 412.895 3.516 20 0 HHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCC[C@@H]1Cc1ccccc1Cl ZINC000108878803 969429351 /nfs/dbraw/zinc/42/93/51/969429351.db2.gz NOXQKGHCJWWLMR-GOSISDBHSA-N -1 3 422.916 3.570 20 0 HHADHM CC[C@@H](NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O)c1ccc(Cl)cc1 ZINC000109188509 969476138 /nfs/dbraw/zinc/47/61/38/969476138.db2.gz LWHWDVMSXADZSF-LJQANCHMSA-N -1 3 410.905 3.994 20 0 HHADHM COC(=O)c1cc(C)nc2nc(SCc3nc(-c4ccccc4)oc3C)[n-]c(=O)c12 ZINC000109480617 969522661 /nfs/dbraw/zinc/52/26/61/969522661.db2.gz LIHHOOCZOPSMND-UHFFFAOYSA-N -1 3 422.466 3.669 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N(C)Cc1cccc2ccccc21 ZINC000109761914 969560597 /nfs/dbraw/zinc/56/05/97/969560597.db2.gz BDHSMTMMDXODAK-UHFFFAOYSA-N -1 3 412.493 3.885 20 0 HHADHM O=S(=O)([N-]Cc1ccccc1N1CCCC1)c1cc(Br)ccc1F ZINC000109817541 969570530 /nfs/dbraw/zinc/57/05/30/969570530.db2.gz HVFLGVLCVZIMSK-UHFFFAOYSA-N -1 3 413.312 3.667 20 0 HHADHM Cc1ccc(C(=O)NC[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)c([O-])c1 ZINC000109930323 969596549 /nfs/dbraw/zinc/59/65/49/969596549.db2.gz QURYMWNTDYRQJR-GOSISDBHSA-N -1 3 408.420 3.523 20 0 HHADHM O=C(NC1CCN(C(=O)c2ccco2)CC1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000110232063 969640954 /nfs/dbraw/zinc/64/09/54/969640954.db2.gz KLCNWOJSJFNJDF-UHFFFAOYSA-N -1 3 404.466 3.611 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(N(C)Cc3ccc(Br)s3)nc2)n1 ZINC000111221711 969809159 /nfs/dbraw/zinc/80/91/59/969809159.db2.gz NJWLFFICONBXLL-UHFFFAOYSA-N -1 3 405.321 3.855 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(N(C)Cc3csc(Br)c3)nc2)n1 ZINC000111228635 969811781 /nfs/dbraw/zinc/81/17/81/969811781.db2.gz YZRCQFSMAZPUME-UHFFFAOYSA-N -1 3 405.321 3.855 20 0 HHADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)Nc1ccc(SC(F)F)cc1 ZINC000116461122 969897282 /nfs/dbraw/zinc/89/72/82/969897282.db2.gz CMIPKORSDUJPQU-UHFFFAOYSA-N -1 3 412.892 3.633 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)Nc1cc(CC2CCCCC2)[nH]n1 ZINC000116612709 969909230 /nfs/dbraw/zinc/90/92/30/969909230.db2.gz YKULFXQYUKLQQF-UHFFFAOYSA-N -1 3 420.517 3.558 20 0 HHADHM O=C(Nc1nc2cc(F)c(F)cc2s1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000116783836 969922345 /nfs/dbraw/zinc/92/23/45/969922345.db2.gz CHMKHBDXEBLCQJ-CQSZACIVSA-N -1 3 403.410 3.523 20 0 HHADHM CCCc1ccc([N-]S(=O)(=O)c2c(C)cc(C)c(NS(C)(=O)=O)c2C)cc1 ZINC000195698143 969965196 /nfs/dbraw/zinc/96/51/96/969965196.db2.gz MIBXOWCOXABLSJ-UHFFFAOYSA-N -1 3 410.561 3.737 20 0 HHADHM O=S(=O)([N-]c1ccc(F)cc1I)c1ccc(F)cc1F ZINC000127980069 969973106 /nfs/dbraw/zinc/97/31/06/969973106.db2.gz OQGQSBQKOKRBRA-UHFFFAOYSA-N -1 3 413.158 3.509 20 0 HHADHM Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000138767710 970011208 /nfs/dbraw/zinc/01/12/08/970011208.db2.gz OCFQALAYUSMHLV-LBPRGKRZSA-N -1 3 406.467 3.885 20 0 HHADHM Cc1cc(N2CCN(C)CC2)ccc1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000216135110 970064132 /nfs/dbraw/zinc/06/41/32/970064132.db2.gz YRRHUYRYDKNFHG-UHFFFAOYSA-N -1 3 414.358 3.854 20 0 HHADHM Cc1ccc(Br)cc1S(=O)(=O)[N-]c1cccnc1Br ZINC000226450161 970108472 /nfs/dbraw/zinc/10/84/72/970108472.db2.gz OILHOZFEMHKBSQ-UHFFFAOYSA-N -1 3 406.099 3.716 20 0 HHADHM CCC[C@@H](N)C(=O)Nc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000236802629 970174658 /nfs/dbraw/zinc/17/46/58/970174658.db2.gz LIXISMJMAVVGTR-OAHLLOKOSA-N -1 3 416.330 3.860 20 0 HHADHM COc1ccc(C)cc1-n1ccc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)n1 ZINC000143121795 970182888 /nfs/dbraw/zinc/18/28/88/970182888.db2.gz IKLCZLBIILTXSH-CQSZACIVSA-N -1 3 408.845 3.804 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N(C)[C@H](C)c2ccc(F)cc2)cc1OC ZINC000145131442 970253413 /nfs/dbraw/zinc/25/34/13/970253413.db2.gz QXGOBVMMTZVXGZ-CYBMUJFWSA-N -1 3 409.483 3.821 20 0 HHADHM CCOC(=O)c1ccc(NC(=O)C(C#N)=C([O-])c2sc(C(C)(C)C)nc2C)cc1 ZINC000147140759 970319744 /nfs/dbraw/zinc/31/97/44/970319744.db2.gz HHPYEBVWKRDARW-OAHLLOKOSA-N -1 3 413.499 3.887 20 0 HHADHM COC[C@H](C)CNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000149220797 970387180 /nfs/dbraw/zinc/38/71/80/970387180.db2.gz CCKDFHLDJBYEBE-OAHLLOKOSA-N -1 3 418.559 3.733 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)[C@H](C)C3CC3)c2)cc1 ZINC000248120632 970510931 /nfs/dbraw/zinc/51/09/31/970510931.db2.gz RTBUYBUSFYIXDY-OAHLLOKOSA-N -1 3 402.516 3.675 20 0 HHADHM O=C(Nc1ccc(Cc2ccncc2)cc1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000195629746 970571985 /nfs/dbraw/zinc/57/19/85/970571985.db2.gz HEYDLLBQHTUENK-NRFANRHFSA-N -1 3 401.466 3.621 20 0 HHADHM CC(=O)c1c(C)[nH]c(C(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)c1C ZINC000255927086 970587267 /nfs/dbraw/zinc/58/72/67/970587267.db2.gz FGNLJXMYEYKKPV-UHFFFAOYSA-N -1 3 421.482 3.644 20 0 HHADHM C[C@H](SCc1nnnn1C1CC1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000261391856 970646617 /nfs/dbraw/zinc/64/66/17/970646617.db2.gz OWQVASIWTVKPTR-VIFPVBQESA-N -1 3 400.489 3.973 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H]3C[C@H]3c3ccc4c(c3)OCCO4)c2)n1 ZINC000304020509 972576158 /nfs/dbraw/zinc/57/61/58/972576158.db2.gz LVDXBRGRFCWJNW-RBUKOAKNSA-N -1 3 417.465 3.925 20 0 HHADHM Cc1cccc(S(=O)(=O)[N-]c2ccc(F)cc2I)c1F ZINC000313216893 972633948 /nfs/dbraw/zinc/63/39/48/972633948.db2.gz KKCWYRDWTMSYAM-UHFFFAOYSA-N -1 3 409.195 3.679 20 0 HHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cc(Br)ccc1Br ZINC000318461173 972662035 /nfs/dbraw/zinc/66/20/35/972662035.db2.gz QZAUHAMDCWBULS-UHFFFAOYSA-N -1 3 423.068 3.644 20 0 HHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cc(Br)ccc1Br ZINC000318461173 972662042 /nfs/dbraw/zinc/66/20/42/972662042.db2.gz QZAUHAMDCWBULS-UHFFFAOYSA-N -1 3 423.068 3.644 20 0 HHADHM CC(F)(F)CC[N-]S(=O)(=O)c1ccc(Br)cc1Br ZINC000386605374 972799505 /nfs/dbraw/zinc/79/95/05/972799505.db2.gz IYFDZVBTIAYCAO-UHFFFAOYSA-N -1 3 407.074 3.535 20 0 HHADHM COC(=O)c1ccccc1S(=O)(=O)[N-]c1cc(Cl)c(C)cc1Br ZINC000391003027 972834862 /nfs/dbraw/zinc/83/48/62/972834862.db2.gz VLNZWMWOEMDFSD-UHFFFAOYSA-N -1 3 418.696 3.998 20 0 HHADHM Cc1ccc(C[N-]S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)nc1 ZINC000400873607 972880681 /nfs/dbraw/zinc/88/06/81/972880681.db2.gz ZEOPYLHGSHFTHJ-UHFFFAOYSA-N -1 3 410.120 3.938 20 0 HHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(CS(=O)(=O)NC(C)(C)C)c2)c(C)c1 ZINC000409877608 973344337 /nfs/dbraw/zinc/34/43/37/973344337.db2.gz XOWPXWLQZPGRIC-UHFFFAOYSA-N -1 3 424.588 3.631 20 0 HHADHM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2cccc(-c3nc(C)cs3)c2)o1 ZINC000410160268 973650646 /nfs/dbraw/zinc/65/06/46/973650646.db2.gz DURYNMNQBUKJBV-QGZVFWFLSA-N -1 3 406.529 3.940 20 0 HHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)NCc2cc(F)cc(F)c2)CC1 ZINC000410163884 973655908 /nfs/dbraw/zinc/65/59/08/973655908.db2.gz UMKOFDLOLRAHCR-UHFFFAOYSA-N -1 3 423.847 3.884 20 0 HHADHM O=S(=O)([N-]c1cc(F)c(Br)cc1Cl)c1c[nH]c2ncccc12 ZINC000410399431 973999640 /nfs/dbraw/zinc/99/96/40/973999640.db2.gz FBHIABVZXUIPLP-UHFFFAOYSA-N -1 3 404.648 3.919 20 0 HHADHM Cc1cc(O[C@H]2CCN(C)C2=O)ccc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000410409660 974008230 /nfs/dbraw/zinc/00/82/30/974008230.db2.gz XWIYFKRLENWKOU-FQEVSTJZSA-N -1 3 416.543 3.703 20 0 HHADHM C[C@@H](Sc1ccnc2cc(Cl)ccc21)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000426278859 974366107 /nfs/dbraw/zinc/36/61/07/974366107.db2.gz OBXQRKYQDJOGTD-GFCCVEGCSA-N -1 3 424.917 3.865 20 0 HHADHM C[C@@H](Sc1ccnc2cc(Cl)ccc21)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000426278859 974366116 /nfs/dbraw/zinc/36/61/16/974366116.db2.gz OBXQRKYQDJOGTD-GFCCVEGCSA-N -1 3 424.917 3.865 20 0 HHADHM O=C([O-])c1ccnc(N2CCC(NCc3ccc(Cl)cc3Br)CC2)c1 ZINC000426656658 974586548 /nfs/dbraw/zinc/58/65/48/974586548.db2.gz JKHWVXSCNVUXJB-UHFFFAOYSA-N -1 3 424.726 3.954 20 0 HHADHM COc1ccc(CNC[C@@H](Cc2ccccc2C)C(=O)[O-])c(Br)c1O ZINC000426666444 974590987 /nfs/dbraw/zinc/59/09/87/974590987.db2.gz RNGJPLKEHVXHJX-OAHLLOKOSA-N -1 3 408.292 3.505 20 0 HHADHM COc1ccc(C[NH2+]C[C@@H](Cc2ccccc2C)C(=O)[O-])c(Br)c1[O-] ZINC000426666444 974590991 /nfs/dbraw/zinc/59/09/91/974590991.db2.gz RNGJPLKEHVXHJX-OAHLLOKOSA-N -1 3 408.292 3.505 20 0 HHADHM Cc1nc(CCCNCc2nc3cc(C(F)(F)F)ccc3n2C)sc1C(=O)[O-] ZINC000426684856 974598331 /nfs/dbraw/zinc/59/83/31/974598331.db2.gz CMUNQSPVIMUKPQ-UHFFFAOYSA-N -1 3 412.437 3.778 20 0 HHADHM O=C([O-])Cc1ccccc1CNCc1ccc(OC(F)F)c(Br)c1 ZINC000426692928 974601718 /nfs/dbraw/zinc/60/17/18/974601718.db2.gz WPPRYDYNNFZGEZ-UHFFFAOYSA-N -1 3 400.219 3.967 20 0 HHADHM COc1ccc(C(=O)Nc2cccc(CNCc3ccccc3CC(=O)[O-])c2)cc1 ZINC000426715498 974612247 /nfs/dbraw/zinc/61/22/47/974612247.db2.gz REPFPBIPDBQZGT-UHFFFAOYSA-N -1 3 404.466 3.864 20 0 HHADHM COc1cccc(CSC[C@H](NCc2cc(OC)cc3c2O[C@H](C)C3)C(=O)[O-])c1 ZINC000426719748 974614230 /nfs/dbraw/zinc/61/42/30/974614230.db2.gz JHFCRTDXTGLOCS-VLIAUNLRSA-N -1 3 417.527 3.503 20 0 HHADHM C[C@H](C(=O)[O-])[C@H](NCc1cc(Br)c2c(c1)OCCO2)c1ccccc1 ZINC000426721977 974615727 /nfs/dbraw/zinc/61/57/27/974615727.db2.gz UKZUMMBVAGZICZ-SJCJKPOMSA-N -1 3 406.276 3.772 20 0 HHADHM O=C([O-])[C@H](Cn1ccc(C(F)(F)F)n1)NCc1ccc(-c2ccccc2)cc1F ZINC000426725883 974617777 /nfs/dbraw/zinc/61/77/77/974617777.db2.gz FVISILDBSAINRU-KRWDZBQOSA-N -1 3 407.367 3.951 20 0 HHADHM O=C([O-])[C@@H](CN1CCCc2ccccc21)NCc1ccc(Br)cc1F ZINC000426750182 974634072 /nfs/dbraw/zinc/63/40/72/974634072.db2.gz LPRBJJLGZLZEEK-QGZVFWFLSA-N -1 3 407.283 3.584 20 0 HHADHM COc1cccc(CSC[C@H](NCc2nc3ccc(Cl)cc3n2C)C(=O)[O-])c1 ZINC000426751340 974635679 /nfs/dbraw/zinc/63/56/79/974635679.db2.gz VCANPYNSZLSXIX-KRWDZBQOSA-N -1 3 419.934 3.712 20 0 HHADHM O=C([O-])[C@H](Cn1ccc(C(F)(F)F)n1)NCc1cc(C(F)(F)F)ccc1Cl ZINC000426761368 974640368 /nfs/dbraw/zinc/64/03/68/974640368.db2.gz ZZVUPMYHFWTXJO-NSHDSACASA-N -1 3 415.721 3.817 20 0 HHADHM COc1cc(CN[C@H](C(=O)[O-])c2ccccc2)cc(Br)c1OC(F)F ZINC000426763619 974642327 /nfs/dbraw/zinc/64/23/27/974642327.db2.gz CRSILKYWKKSTHW-AWEZNQCLSA-N -1 3 416.218 3.975 20 0 HHADHM COc1ccccc1[C@@H](NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1)C(=O)[O-] ZINC000426786686 974659452 /nfs/dbraw/zinc/65/94/52/974659452.db2.gz XLQHXACPOKFHEX-GOSISDBHSA-N -1 3 405.376 3.815 20 0 HHADHM CC(C)n1ncc2cc(CN[C@@H](C(=O)[O-])c3ccc(Br)cc3)cnc21 ZINC000426797501 974667621 /nfs/dbraw/zinc/66/76/21/974667621.db2.gz BKINEQKZEABDPZ-MRXNPFEDSA-N -1 3 403.280 3.690 20 0 HHADHM COc1cccc([C@@H](CC(=O)[O-])NCc2cc(Br)c3c(c2)OCCO3)c1 ZINC000426801999 974670855 /nfs/dbraw/zinc/67/08/55/974670855.db2.gz UIAJIAXYWGOUNW-MRXNPFEDSA-N -1 3 422.275 3.535 20 0 HHADHM O=C([O-])[C@H](NCc1cc(Cl)c2c(c1)OCCO2)c1ccc(Br)cc1 ZINC000426804586 974672553 /nfs/dbraw/zinc/67/25/53/974672553.db2.gz UYLSSFVJEJIIJG-OAHLLOKOSA-N -1 3 412.667 3.789 20 0 HHADHM CCC[C@H](C)C[C@@H](NCc1ncc(Br)cc1Br)C(=O)[O-] ZINC000426819573 974685169 /nfs/dbraw/zinc/68/51/69/974685169.db2.gz IKMFNVNUDVVLCF-JOYOIKCWSA-N -1 3 408.134 3.976 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCC34CCC4)c2)cc1 ZINC000426924767 974757110 /nfs/dbraw/zinc/75/71/10/974757110.db2.gz IFERVSDSAKZITE-UHFFFAOYSA-N -1 3 414.527 3.963 20 0 HHADHM Cc1ccc(NC(=O)c2cc([O-])c3ccccc3c2)c(C)c1S(=O)(=O)NC1CC1 ZINC000426943499 974767224 /nfs/dbraw/zinc/76/72/24/974767224.db2.gz CTNWCGDMABSDPA-UHFFFAOYSA-N -1 3 410.495 3.855 20 0 HHADHM O=C(Nc1cccc(-c2cn(Cc3ccccc3)nn2)c1)c1cc(F)cc2n[n-]nc21 ZINC000426973045 974790585 /nfs/dbraw/zinc/79/05/85/974790585.db2.gz IURFFXGQXPJOLQ-UHFFFAOYSA-N -1 3 413.416 3.656 20 0 HHADHM C[C@@H](Sc1ccc(Br)cc1)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000427088251 974893305 /nfs/dbraw/zinc/89/33/05/974893305.db2.gz IPORWEYHBHQQMZ-LLVKDONJSA-N -1 3 418.320 3.672 20 0 HHADHM C[C@@H](Sc1ccc(Br)cc1)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000427088251 974893309 /nfs/dbraw/zinc/89/33/09/974893309.db2.gz IPORWEYHBHQQMZ-LLVKDONJSA-N -1 3 418.320 3.672 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2F)cc1I ZINC000427117018 974917709 /nfs/dbraw/zinc/91/77/09/974917709.db2.gz XZXIYOGHABIBBL-UHFFFAOYSA-N -1 3 409.195 3.679 20 0 HHADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000427140969 974936022 /nfs/dbraw/zinc/93/60/22/974936022.db2.gz XBDHKPURUKIAJM-SNVBAGLBSA-N -1 3 420.878 3.765 20 0 HHADHM COC(=O)C1(CS(=O)(=O)[N-]c2cccc(Oc3ccncc3)c2)CCCCC1 ZINC000427212630 974981893 /nfs/dbraw/zinc/98/18/93/974981893.db2.gz MMWGDKGXPGUUHT-UHFFFAOYSA-N -1 3 404.488 3.739 20 0 HHADHM CCOC(=O)c1cc(COC)cc([N-]S(=O)(=O)c2ccc(OCC)cc2C)c1 ZINC000427312901 975044775 /nfs/dbraw/zinc/04/47/75/975044775.db2.gz KNJLIULSIMDYEI-UHFFFAOYSA-N -1 3 407.488 3.518 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)C(=O)Nc1ccc(C2CCC2)cc1 ZINC000427518542 975157121 /nfs/dbraw/zinc/15/71/21/975157121.db2.gz GVBCLLPUMFQVID-UHFFFAOYSA-N -1 3 403.276 3.677 20 0 HHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3CC4(CCC4)[C@H]3C3CC3)cs2)c1 ZINC000427574500 975194094 /nfs/dbraw/zinc/19/40/94/975194094.db2.gz XJKNVZKUHPCTME-LJQANCHMSA-N -1 3 411.527 3.743 20 0 HHADHM O=S(=O)([N-][C@H]1CCO[C@@]2(CCSC2)C1)c1ccc(Cl)cc1C(F)(F)F ZINC000427774469 975281550 /nfs/dbraw/zinc/28/15/50/975281550.db2.gz ABWWCSKDEQBIEG-FZMZJTMJSA-N -1 3 415.886 3.692 20 0 HHADHM Cc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)C[C@@H](C)c3ccccc3)n2)cc1F ZINC000427790318 975289861 /nfs/dbraw/zinc/28/98/61/975289861.db2.gz RPDPOHRXYYQMAZ-HUUCEWRRSA-N -1 3 403.479 3.968 20 0 HHADHM Cc1cc(-c2noc([C@@H](C)[N-]S(=O)(=O)C[C@H](C)c3ccccc3)n2)ccc1F ZINC000427793208 975291996 /nfs/dbraw/zinc/29/19/96/975291996.db2.gz CJFFAFAFYZYQFW-LSDHHAIUSA-N -1 3 403.479 3.968 20 0 HHADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1cc(NCc2ccccc2)nc2ccccc21 ZINC000427816129 975305769 /nfs/dbraw/zinc/30/57/69/975305769.db2.gz HSEMQSALVLJJSJ-UHFFFAOYSA-N -1 3 410.437 4.477 20 0 HHADHM O=S(=O)(Cc1cc(Cl)cc(Cl)c1)[N-]Cc1noc(-c2cccs2)n1 ZINC000427845065 975318378 /nfs/dbraw/zinc/31/83/78/975318378.db2.gz WLJQYMFQDMUVDD-UHFFFAOYSA-N -1 3 404.300 3.725 20 0 HHADHM CC(C)(C)c1ccc(C(=O)N2CSC[C@H]2C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000427958449 975366592 /nfs/dbraw/zinc/36/65/92/975366592.db2.gz JJHFBTSJZYERKI-SFHVURJKSA-N -1 3 416.518 3.660 20 0 HHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)Nc3cc(C4CC4)ccn3)cs2)c1 ZINC000428102242 975436207 /nfs/dbraw/zinc/43/62/07/975436207.db2.gz VBINBGIFOMBBNM-UHFFFAOYSA-N -1 3 408.483 3.863 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cn(C)c(=O)c4ccccc34)c2)n1 ZINC000428189963 975517127 /nfs/dbraw/zinc/51/71/27/975517127.db2.gz ZPYOQEQLSITZIS-UHFFFAOYSA-N -1 3 400.438 3.516 20 0 HHADHM O=C(N[C@@H]1CSc2ccc(Br)cc21)c1cc(=O)c2ccccc2[n-]1 ZINC000428208914 975533890 /nfs/dbraw/zinc/53/38/90/975533890.db2.gz XJZAKSAMTOHVRK-OAHLLOKOSA-N -1 3 401.285 3.867 20 0 HHADHM O=S(=O)([N-]C[C@]1(CO)C[C@H]1c1ccc(F)cc1)c1cccc(Cl)c1Cl ZINC000428375401 975696999 /nfs/dbraw/zinc/69/69/99/975696999.db2.gz CENIJCRXPJQRMC-GUYCJALGSA-N -1 3 404.290 3.577 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NCCCCCc1ccc(F)cc1 ZINC000428619136 975925275 /nfs/dbraw/zinc/92/52/75/975925275.db2.gz ISSVWYZVTFMMDN-UHFFFAOYSA-N -1 3 422.504 3.741 20 0 HHADHM CCOc1nc(C(F)(F)F)ccc1C(=O)[N-]c1nnc(Cc2ccc(C)cc2)s1 ZINC000428718019 976007835 /nfs/dbraw/zinc/00/78/35/976007835.db2.gz LZZGRLBXTRANGT-UHFFFAOYSA-N -1 3 422.432 4.502 20 0 HHADHM Cn1ncc2c1ncc(C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCCO1)c2[O-] ZINC000428879238 976170211 /nfs/dbraw/zinc/17/02/11/976170211.db2.gz DHMDZAWKYDFVCP-CYBMUJFWSA-N -1 3 416.865 3.528 20 0 HHADHM COc1cc(Cl)c(Br)cc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000428921887 976222146 /nfs/dbraw/zinc/22/21/46/976222146.db2.gz OJPCNJYQHNRSNX-UHFFFAOYSA-N -1 3 408.643 3.544 20 0 HHADHM COc1cc(Cl)c(Br)cc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000428921887 976222151 /nfs/dbraw/zinc/22/21/51/976222151.db2.gz OJPCNJYQHNRSNX-UHFFFAOYSA-N -1 3 408.643 3.544 20 0 HHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CCc4cccc(C)c4C3)nc(=O)c2c1C ZINC000429573637 976841828 /nfs/dbraw/zinc/84/18/28/976841828.db2.gz BRFAXOJYVZLCDL-AWEZNQCLSA-N -1 3 411.527 3.897 20 0 HHADHM Cc1noc(C)c1C[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429815481 977089048 /nfs/dbraw/zinc/08/90/48/977089048.db2.gz RXJGJSQZTDDLQY-MRVPVSSYSA-N -1 3 407.717 3.617 20 0 HHADHM COc1ccccc1-c1noc([C@@H](C)[N-]S(=O)(=O)c2c(C)cc(F)cc2C)n1 ZINC000429826298 977096534 /nfs/dbraw/zinc/09/65/34/977096534.db2.gz HJFCWHCTAKTNER-CYBMUJFWSA-N -1 3 405.451 3.541 20 0 HHADHM O=S(=O)([N-][C@@H](Cc1ccccc1)[C@@H](O)C(F)F)c1ccc(Cl)cc1Cl ZINC000429827964 977097876 /nfs/dbraw/zinc/09/78/76/977097876.db2.gz LILZAXPIZCOFRX-DZGCQCFKSA-N -1 3 410.269 3.509 20 0 HHADHM O=S(=O)([N-]Cc1ccn(C2CCCC2)n1)c1cc(Cl)ccc1Br ZINC000429833264 977104212 /nfs/dbraw/zinc/10/42/12/977104212.db2.gz YAPMMSASBCSSPO-UHFFFAOYSA-N -1 3 418.744 3.893 20 0 HHADHM CC(C)(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Br)CCO1 ZINC000429840541 977110962 /nfs/dbraw/zinc/11/09/62/977110962.db2.gz OVRGUKAETTZVDR-RISCZKNCSA-N -1 3 410.761 3.975 20 0 HHADHM CC(C)(C)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Br)CCO1 ZINC000429840540 977111222 /nfs/dbraw/zinc/11/12/22/977111222.db2.gz OVRGUKAETTZVDR-FZMZJTMJSA-N -1 3 410.761 3.975 20 0 HHADHM CC(C)C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Br)CCO1 ZINC000429841096 977112486 /nfs/dbraw/zinc/11/24/86/977112486.db2.gz DBBZOHAJVVKUJK-QWHCGFSZSA-N -1 3 410.761 3.975 20 0 HHADHM O=S(=O)([N-][C@@H]1COc2ccc(F)cc21)c1cc(Cl)ccc1Br ZINC000429901771 977178168 /nfs/dbraw/zinc/17/81/68/977178168.db2.gz VMQAWOAUKKTQED-GFCCVEGCSA-N -1 3 406.660 3.654 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2c(F)cc(F)c(F)c2F)s1 ZINC000429911688 977186362 /nfs/dbraw/zinc/18/63/62/977186362.db2.gz XYDIOSLJRSSXNP-UHFFFAOYSA-N -1 3 418.231 3.854 20 0 HHADHM O=C(NC[C@H]1CSCCN1Cc1ccccc1)c1ccc(Br)c([O-])c1 ZINC000430105635 977321559 /nfs/dbraw/zinc/32/15/59/977321559.db2.gz UVQUXWVXUZDNAM-INIZCTEOSA-N -1 3 421.360 3.502 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N[C@H]1CC12CCCC2 ZINC000430245408 977415613 /nfs/dbraw/zinc/41/56/13/977415613.db2.gz SLGIRDWMSPOPLW-IBGZPJMESA-N -1 3 402.491 3.997 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(CN3CCOCC3)c2)c(C)c1C ZINC000430351828 977496646 /nfs/dbraw/zinc/49/66/46/977496646.db2.gz JOYYMPOOYBYFJD-UHFFFAOYSA-N -1 3 424.950 3.598 20 0 HHADHM CC1(C)Cc2ccc(Cl)c([N-]S(=O)(=O)c3cccc(C(=O)NC4CC4)c3)c2O1 ZINC000430378378 977512478 /nfs/dbraw/zinc/51/24/78/977512478.db2.gz RPLAWYSOMZUWPO-UHFFFAOYSA-N -1 3 420.918 3.747 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000430479906 977586709 /nfs/dbraw/zinc/58/67/09/977586709.db2.gz DBBZVBRJVRWBNU-FYYLOGMGSA-N -1 3 403.469 3.883 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)NC[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000430479915 977586735 /nfs/dbraw/zinc/58/67/35/977586735.db2.gz DBBZVBRJVRWBNU-GMAHTHKFSA-N -1 3 403.469 3.883 20 0 HHADHM CC[C@H](NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O)[C@H]1CCCO1 ZINC000430589672 977647591 /nfs/dbraw/zinc/64/75/91/977647591.db2.gz AUEUBJFQRNTVKU-UONOGXRCSA-N -1 3 413.699 3.631 20 0 HHADHM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)cc1)c1ccncc1 ZINC000431168140 978068288 /nfs/dbraw/zinc/06/82/88/978068288.db2.gz HHNUMPLEIFCBAH-UHFFFAOYSA-N -1 3 407.373 3.552 20 0 HHADHM C[C@@H]([N-]S(=O)(=O)Cc1cc(Cl)ccc1F)c1noc(Cc2ccccc2)n1 ZINC000431269710 978155621 /nfs/dbraw/zinc/15/56/21/978155621.db2.gz KPJQISFGSWJYON-GFCCVEGCSA-N -1 3 409.870 3.634 20 0 HHADHM CC(C)([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(=O)NCC1CCCCC1 ZINC000431284147 978169450 /nfs/dbraw/zinc/16/94/50/978169450.db2.gz TYBWMKCDPJCNOS-UHFFFAOYSA-N -1 3 424.460 3.598 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@H](C[C@H](C)O)c2ccccc2)s1 ZINC000431313879 978198875 /nfs/dbraw/zinc/19/88/75/978198875.db2.gz NWHFZSBNAKVMKO-FZMZJTMJSA-N -1 3 418.378 3.652 20 0 HHADHM CCCCN(C)C(=O)c1ccccc1S(=O)(=O)[N-][C@@H](c1ccccc1)C(F)F ZINC000431637405 978399864 /nfs/dbraw/zinc/39/98/64/978399864.db2.gz ZAZNLBKXJCKUIE-SFHVURJKSA-N -1 3 410.486 3.843 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)cc1OC ZINC000431715442 978454095 /nfs/dbraw/zinc/45/40/95/978454095.db2.gz KUKTYJPRYMUZOP-CZIWCDLHSA-N -1 3 421.494 3.664 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)N3CCC(CO)(c4ccccc4)CC3)cc2)cc(=O)[n-]1 ZINC000431715653 978454245 /nfs/dbraw/zinc/45/42/45/978454245.db2.gz MICMDZPKASZWAN-UHFFFAOYSA-N -1 3 418.497 3.716 20 0 HHADHM O=C1N[C@H](c2ccc(Cl)c(F)c2)C(=O)N1Cc1ccc([O-])c(Br)c1 ZINC000431858685 978555720 /nfs/dbraw/zinc/55/57/20/978555720.db2.gz PBDMYUQMOOREKQ-CQSZACIVSA-N -1 3 413.630 3.740 20 0 HHADHM CO[C@H]1CCC[C@@H](C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)C1 ZINC000432053564 978662373 /nfs/dbraw/zinc/66/23/73/978662373.db2.gz GMLXJIHNEPXNPN-APWZRJJASA-N -1 3 402.516 3.940 20 0 HHADHM CCOC(=O)c1sc([N-]C(=O)c2ccc(C(=O)OC)o2)nc1-c1ccccc1 ZINC000432225851 978721668 /nfs/dbraw/zinc/72/16/68/978721668.db2.gz ZLPURVYEMNWABL-UHFFFAOYSA-N -1 3 400.412 3.619 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNc3nnc(C(C)C)s3)c2)cc1 ZINC000432251202 978729887 /nfs/dbraw/zinc/72/98/87/978729887.db2.gz RJYKMCBHQDZEJV-UHFFFAOYSA-N -1 3 418.544 4.083 20 0 HHADHM CCc1cc(=O)[n-]c(CS[C@H]2CCN(c3cccc(Br)c3)C2=O)n1 ZINC000432254615 978730780 /nfs/dbraw/zinc/73/07/80/978730780.db2.gz UUZMSVARLRLOMW-AWEZNQCLSA-N -1 3 408.321 3.546 20 0 HHADHM CC(C)c1nccn1Cc1cccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)c1 ZINC000432382935 978790029 /nfs/dbraw/zinc/79/00/29/978790029.db2.gz XFTRLJIUFVBTST-UHFFFAOYSA-N -1 3 422.510 3.697 20 0 HHADHM CN(C)[C@H]1CCOc2c([N-]S(=O)(=O)c3ccc(Br)cc3)cccc21 ZINC000432481097 978838839 /nfs/dbraw/zinc/83/88/39/978838839.db2.gz VNSXJEMIRVLYMU-INIZCTEOSA-N -1 3 411.321 3.635 20 0 HHADHM C[C@@H](SC[C@@H]1CCS(=O)(=O)C1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000432517380 978859906 /nfs/dbraw/zinc/85/99/06/978859906.db2.gz GBIMWAGZRZMXTM-MNOVXSKESA-N -1 3 410.542 3.886 20 0 HHADHM COc1cc(C)ccc1-c1noc(-c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)n1 ZINC000432558960 978886465 /nfs/dbraw/zinc/88/64/65/978886465.db2.gz QFMZUBUQBBMTLS-UHFFFAOYSA-N -1 3 405.451 3.546 20 0 HHADHM O=C([N-]c1nnc([C@@H]2CCCc3ccccc32)s1)c1cn(Cc2cccs2)nn1 ZINC000432573234 978894987 /nfs/dbraw/zinc/89/49/87/978894987.db2.gz LPAXNCXLXXEDKF-MRXNPFEDSA-N -1 3 422.539 3.960 20 0 HHADHM O=C([N-]c1nnc([C@H]2CCCc3ccccc32)s1)c1cn(Cc2ccccc2)nn1 ZINC000432610831 978910700 /nfs/dbraw/zinc/91/07/00/978910700.db2.gz BIVIGIWXGLNZNS-SFHVURJKSA-N -1 3 416.510 3.898 20 0 HHADHM COC(=O)c1cnc(SCc2csc(N(C(C)=O)c3ccccc3F)n2)[n-]1 ZINC000432666211 978929696 /nfs/dbraw/zinc/92/96/96/978929696.db2.gz IYBIWHGIHUDGEF-UHFFFAOYSA-N -1 3 406.464 3.769 20 0 HHADHM COC(=O)c1cnc(SCC(=O)N(CCc2ccccc2)Cc2ccccc2)[n-]1 ZINC000432669580 978930499 /nfs/dbraw/zinc/93/04/99/978930499.db2.gz LFFGPZZLBOFIRR-UHFFFAOYSA-N -1 3 409.511 3.560 20 0 HHADHM COC(=O)c1cnc(SCC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)[n-]1 ZINC000432670341 978930858 /nfs/dbraw/zinc/93/08/58/978930858.db2.gz OBIFZNQOLXQDPP-GOSISDBHSA-N -1 3 415.902 3.848 20 0 HHADHM Cc1nn2cc(S(=O)(=O)[N-]c3ccc(C)cc3Br)cnc2c1Cl ZINC000432745459 978956843 /nfs/dbraw/zinc/95/68/43/978956843.db2.gz CJZXWGUZXYLWOB-UHFFFAOYSA-N -1 3 415.700 3.563 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(CN3CCCC3=O)cc2)cc1Cl ZINC000432766249 978966383 /nfs/dbraw/zinc/96/63/83/978966383.db2.gz BHJHKIMJHQBHTL-UHFFFAOYSA-N -1 3 408.907 3.580 20 0 HHADHM CCOC(=O)c1csc(CN2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)n1 ZINC000432781177 978972781 /nfs/dbraw/zinc/97/27/81/978972781.db2.gz MZCBLQLBZMSKEK-UHFFFAOYSA-N -1 3 423.922 3.530 20 0 HHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C3(Cc4cccc(F)c4)CCOCC3)cc2)n1 ZINC000432890571 979002613 /nfs/dbraw/zinc/00/26/13/979002613.db2.gz QOHLKOKFIJJGLV-UHFFFAOYSA-N -1 3 421.472 3.862 20 0 HHADHM CCCOc1ccccc1NC(=O)NCc1cccc(-c2nnc(C(=O)OCC)[n-]2)c1 ZINC000432907898 979007583 /nfs/dbraw/zinc/00/75/83/979007583.db2.gz RZZLNTPDGYSWKT-UHFFFAOYSA-N -1 3 423.473 3.759 20 0 HHADHM CCCOc1ccccc1NC(=O)NCc1cccc(-c2n[n-]c(C(=O)OCC)n2)c1 ZINC000432907898 979007588 /nfs/dbraw/zinc/00/75/88/979007588.db2.gz RZZLNTPDGYSWKT-UHFFFAOYSA-N -1 3 423.473 3.759 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNc3nc(C)nc4scc(C)c43)c2)[n-]1 ZINC000432928769 979014372 /nfs/dbraw/zinc/01/43/72/979014372.db2.gz UOCQTGMZZPCRHZ-UHFFFAOYSA-N -1 3 408.487 3.882 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNc3nc(C)nc4scc(C)c43)c2)n[n-]1 ZINC000432928769 979014377 /nfs/dbraw/zinc/01/43/77/979014377.db2.gz UOCQTGMZZPCRHZ-UHFFFAOYSA-N -1 3 408.487 3.882 20 0 HHADHM O=S(=O)([N-][C@@H](c1cc(F)ccc1F)C(F)F)c1cnc(-c2ccccc2)nc1 ZINC000432966060 979027544 /nfs/dbraw/zinc/02/75/44/979027544.db2.gz JDGPZAMLFYNHEE-INIZCTEOSA-N -1 3 411.380 3.707 20 0 HHADHM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-][C@H](c1cc(F)ccc1F)C(F)F ZINC000432965469 979027667 /nfs/dbraw/zinc/02/76/67/979027667.db2.gz GNWIQUABAYCKSG-OAHLLOKOSA-N -1 3 407.433 3.719 20 0 HHADHM CCOCc1ccc(NC(=O)NCc2cccc(-c3nnc(C(=O)OCC)[n-]3)c2)cc1 ZINC000432998391 979037228 /nfs/dbraw/zinc/03/72/28/979037228.db2.gz QENCLHDTVSXDHM-UHFFFAOYSA-N -1 3 423.473 3.507 20 0 HHADHM CCOCc1ccc(NC(=O)NCc2cccc(-c3n[n-]c(C(=O)OCC)n3)c2)cc1 ZINC000432998391 979037232 /nfs/dbraw/zinc/03/72/32/979037232.db2.gz QENCLHDTVSXDHM-UHFFFAOYSA-N -1 3 423.473 3.507 20 0 HHADHM Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000433301369 979224199 /nfs/dbraw/zinc/22/41/99/979224199.db2.gz VHKJTWAPJMHNSH-STQMWFEESA-N -1 3 409.465 3.776 20 0 HHADHM COC(=O)c1sc2[n-]c(CN3CC[C@H](c4cccc(Cl)c4)C3)nc(=O)c2c1C ZINC000433302619 979225133 /nfs/dbraw/zinc/22/51/33/979225133.db2.gz JJSDVWTVISFOCH-ZDUSSCGKSA-N -1 3 417.918 3.723 20 0 HHADHM O=S(=O)([N-]CC1(CO)CC(c2ccccc2)C1)c1ccc(F)cc1C(F)(F)F ZINC000433364133 979257004 /nfs/dbraw/zinc/25/70/04/979257004.db2.gz MUKROBZQJMEOEO-UHFFFAOYSA-N -1 3 417.424 3.679 20 0 HHADHM CC(=O)Nc1cccc(C[N-]S(=O)(=O)c2cc(Br)sc2Cl)c1 ZINC000433626581 979434684 /nfs/dbraw/zinc/43/46/84/979434684.db2.gz YMKIXKOTXKBVGD-UHFFFAOYSA-N -1 3 423.741 3.601 20 0 HHADHM CN(C)c1nc(C(=O)N(C)[C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2)cc(=O)[n-]1 ZINC000433708733 979504732 /nfs/dbraw/zinc/50/47/32/979504732.db2.gz KKBDQVCICQDYCT-LJQANCHMSA-N -1 3 414.868 3.902 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]C[C@@H](c2cccnc2)C(C)C)sc1Br ZINC000433734195 979530280 /nfs/dbraw/zinc/53/02/80/979530280.db2.gz XDTZUFBYNCJEHQ-CYBMUJFWSA-N -1 3 403.367 3.932 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CC[C@@H](c3ccccc3)[C@@H]2C)cc1OC ZINC000434006853 979753777 /nfs/dbraw/zinc/75/37/77/979753777.db2.gz RLDUAEXWXUNCPF-MAUKXSAKSA-N -1 3 417.531 3.867 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CCC(=O)OC(C)(C)C)cc2)cc1 ZINC000434016565 979760609 /nfs/dbraw/zinc/76/06/09/979760609.db2.gz IVQWHCGHKGSSJS-UHFFFAOYSA-N -1 3 418.515 3.856 20 0 HHADHM C[C@H]1CCc2onc(C(=O)[N-]c3n[nH]c(-c4ccc(Br)cc4)n3)c2C1 ZINC000434129250 979886195 /nfs/dbraw/zinc/88/61/95/979886195.db2.gz VTDMRXJFJSTHLU-VIFPVBQESA-N -1 3 402.252 3.599 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H](C)c2ccc(Cl)cc2Cl)c(C)o1 ZINC000434221277 979991066 /nfs/dbraw/zinc/99/10/66/979991066.db2.gz VMDRMGUIVYAHCZ-VIFPVBQESA-N -1 3 405.303 3.636 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CCOCC3CC3)ccc2C)cc1 ZINC000434224263 979994401 /nfs/dbraw/zinc/99/44/01/979994401.db2.gz AFMBCSREDKEQLM-UHFFFAOYSA-N -1 3 418.515 3.560 20 0 HHADHM CCCOc1ccccc1[C@@H](CC(C)C)NC(=O)c1cc(S(=O)(=O)[N-]C)oc1C ZINC000434329127 980093387 /nfs/dbraw/zinc/09/33/87/980093387.db2.gz XEUYNJMEXZMWKJ-GOSISDBHSA-N -1 3 422.547 3.802 20 0 HHADHM O=S(=O)([N-]C[C@@H]1SCCc2ccccc21)c1cc(F)ccc1Br ZINC000435215428 980727443 /nfs/dbraw/zinc/72/74/43/980727443.db2.gz VSSJORASUFWQCB-HNNXBMFYSA-N -1 3 416.337 3.897 20 0 HHADHM CCN(CC)[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1Br)c1ccco1 ZINC000435217982 980728694 /nfs/dbraw/zinc/72/86/94/980728694.db2.gz UUHNRYHEDXHQDG-CQSZACIVSA-N -1 3 419.316 3.543 20 0 HHADHM O=S(=O)([N-]Cc1cccc(OC(F)F)c1)c1cc(F)ccc1Br ZINC000435221046 980730308 /nfs/dbraw/zinc/73/03/08/980730308.db2.gz VRZRJHFHEDYKFW-UHFFFAOYSA-N -1 3 410.211 3.668 20 0 HHADHM O=S(=O)([N-]Cc1ccccc1Br)c1cc(F)ccc1Br ZINC000435221816 980730994 /nfs/dbraw/zinc/73/09/94/980730994.db2.gz DEJGZUJHZDTAOK-UHFFFAOYSA-N -1 3 423.101 3.829 20 0 HHADHM Cc1cnc([C@@H]([N-]S(=O)(=O)c2cccc(C)c2Br)C2CC2)s1 ZINC000435225771 980733575 /nfs/dbraw/zinc/73/35/75/980733575.db2.gz LEJZVFOFLTZNOZ-AWEZNQCLSA-N -1 3 401.351 3.952 20 0 HHADHM Cc1cnc([C@@H]([N-]S(=O)(=O)c2cc(F)ccc2Br)C2CC2)s1 ZINC000435225151 980733594 /nfs/dbraw/zinc/73/35/94/980733594.db2.gz HSKLKFVGFMXVBI-ZDUSSCGKSA-N -1 3 405.314 3.783 20 0 HHADHM CCOCCC1(C[N-]S(=O)(=O)c2cc(F)ccc2Br)CCCC1 ZINC000435229411 980736345 /nfs/dbraw/zinc/73/63/45/980736345.db2.gz HLPJLHGYZGRCBV-UHFFFAOYSA-N -1 3 408.333 3.854 20 0 HHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccc(Br)cc1)c1cnccc1C(F)(F)F ZINC000435423464 980855295 /nfs/dbraw/zinc/85/52/95/980855295.db2.gz UCPOAPIUZZECMT-WCQYABFASA-N -1 3 421.238 3.697 20 0 HHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCOC[C@H]2C)cc1 ZINC000435553441 980938443 /nfs/dbraw/zinc/93/84/43/980938443.db2.gz FKCVBNAKCSQLCF-VQIMIIECSA-N -1 3 402.516 3.715 20 0 HHADHM COC(=O)c1cc(C)ccc1S(=O)(=O)[N-]c1cc2c(cc1Br)CCC2 ZINC000435718331 981000355 /nfs/dbraw/zinc/00/03/55/981000355.db2.gz WQQOSBARGAYNHY-UHFFFAOYSA-N -1 3 424.316 3.834 20 0 HHADHM COc1cc(C)c([N-]S(=O)(=O)c2cccc(I)c2)cc1C ZINC000435723611 981003267 /nfs/dbraw/zinc/00/32/67/981003267.db2.gz TYGUSTKHWKUXPG-UHFFFAOYSA-N -1 3 417.268 3.717 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@H]2C[C@H](c3cccc(F)c3)C2)cc1OC ZINC000435732848 981007657 /nfs/dbraw/zinc/00/76/57/981007657.db2.gz SCEVQPOVQFRAQH-CZIWCDLHSA-N -1 3 421.494 3.664 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CC(C)=C[C@@H](C)C3)c2)cc1 ZINC000436013055 981154465 /nfs/dbraw/zinc/15/44/65/981154465.db2.gz LDUIDUKFEHNUDE-OAHLLOKOSA-N -1 3 414.527 3.843 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1Cl ZINC000436148394 981220904 /nfs/dbraw/zinc/22/09/04/981220904.db2.gz BXLIRFIFCFHAAR-UHFFFAOYSA-N -1 3 401.843 3.854 20 0 HHADHM CC(C)NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cnc3ccc(F)cc3c2)c1 ZINC000436474378 981392441 /nfs/dbraw/zinc/39/24/41/981392441.db2.gz CPOIYZJVYOKDSI-UHFFFAOYSA-N -1 3 421.881 3.966 20 0 HHADHM O=S(=O)([N-]c1ccc(F)c(-c2nnc[nH]2)c1)c1ccc(OC(F)F)c(Cl)c1 ZINC000436480205 981394463 /nfs/dbraw/zinc/39/44/63/981394463.db2.gz XMPXLAVGZUAVMR-UHFFFAOYSA-N -1 3 418.784 3.666 20 0 HHADHM O=C(NC1CCN(CC(F)(F)F)CC1)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436482471 981395168 /nfs/dbraw/zinc/39/51/68/981395168.db2.gz AOIAKNXIEHMKLC-UHFFFAOYSA-N -1 3 406.448 3.934 20 0 HHADHM C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)o1 ZINC000436485961 981396871 /nfs/dbraw/zinc/39/68/71/981396871.db2.gz MDDYNSIWVIXDNT-FDPIWHGQSA-N -1 3 408.498 3.633 20 0 HHADHM O=C(c1ccccc1[O-])N1CCN(C(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000436493841 981399798 /nfs/dbraw/zinc/39/97/98/981399798.db2.gz UXYIRQMYXDYYIS-IRXDYDNUSA-N -1 3 419.308 3.787 20 0 HHADHM CC[C@@H](NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1cccc(Cl)c1 ZINC000436519911 981414316 /nfs/dbraw/zinc/41/43/16/981414316.db2.gz ZJDOXOWRXBCMTA-GOSISDBHSA-N -1 3 401.894 3.664 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCCc1cccc(F)c1F ZINC000436521396 981415207 /nfs/dbraw/zinc/41/52/07/981415207.db2.gz DHYDRDYHPKCNRG-OAQYLSRUSA-N -1 3 424.447 3.891 20 0 HHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1csc(-c2ccccc2)n1 ZINC000436525175 981418487 /nfs/dbraw/zinc/41/84/87/981418487.db2.gz DTXPDNRSYSCPOD-UHFFFAOYSA-N -1 3 407.495 3.550 20 0 HHADHM CC[C@@H](NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1nccs1 ZINC000436527739 981420991 /nfs/dbraw/zinc/42/09/91/981420991.db2.gz UYJRBTZMIQOPMD-RTBURBONSA-N -1 3 409.511 3.977 20 0 HHADHM COC[C@H](NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1ccc(C)o1 ZINC000436530976 981422718 /nfs/dbraw/zinc/42/27/18/981422718.db2.gz VBEXEHXDDZNTMR-RTWAWAEBSA-N -1 3 422.481 3.659 20 0 HHADHM COc1ccc(C)nc1NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436529900 981422739 /nfs/dbraw/zinc/42/27/39/981422739.db2.gz SZYGDHAGAKRLKB-LJQANCHMSA-N -1 3 405.454 3.604 20 0 HHADHM CC1(C)[C@H](NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)[C@H]2CCCO[C@@H]21 ZINC000436531185 981423570 /nfs/dbraw/zinc/42/35/70/981423570.db2.gz VRYMYRJWQMIPDX-SKWRMQMOSA-N -1 3 422.525 3.573 20 0 HHADHM COc1ccc(C(=O)NCC2(c3cc(Cl)ccc3OC)CCOCC2)c([O-])c1 ZINC000436532440 981424260 /nfs/dbraw/zinc/42/42/60/981424260.db2.gz JQWDELLOIBYODM-UHFFFAOYSA-N -1 3 405.878 3.541 20 0 HHADHM CCN(CCc1nccs1)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436534629 981425761 /nfs/dbraw/zinc/42/57/61/981425761.db2.gz LTECJYNCSOUHPX-FQEVSTJZSA-N -1 3 423.538 3.801 20 0 HHADHM NC(=O)[C@@H]1CCCN(Cc2ccccc2NC(=O)c2ccc(Cl)c(Cl)c2[O-])C1 ZINC000436543604 981432030 /nfs/dbraw/zinc/43/20/30/981432030.db2.gz MJCKYVMIHFMGKB-CYBMUJFWSA-N -1 3 422.312 3.649 20 0 HHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000436552527 981438184 /nfs/dbraw/zinc/43/81/84/981438184.db2.gz DOJFIKVOSAKMJI-NRFANRHFSA-N -1 3 406.526 3.652 20 0 HHADHM COc1cc([C@H](C)NC(=O)c2cc3c(cc2[O-])OCO3)ccc1OCc1ccncc1 ZINC000436552675 981438208 /nfs/dbraw/zinc/43/82/08/981438208.db2.gz AQDJQLNKIBYLSK-AWEZNQCLSA-N -1 3 422.437 3.595 20 0 HHADHM COCCC1(CNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCC1 ZINC000436553736 981439784 /nfs/dbraw/zinc/43/97/84/981439784.db2.gz CMPDLKIKZAKEFB-NRFANRHFSA-N -1 3 410.514 3.576 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCc1ccc2c(c1)COC2 ZINC000436554202 981439804 /nfs/dbraw/zinc/43/98/04/981439804.db2.gz FAYOSAXFCAXKFN-QHCPKHFHSA-N -1 3 416.477 3.600 20 0 HHADHM CC[C@H](CSC)N(C)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436554663 981440310 /nfs/dbraw/zinc/44/03/10/981440310.db2.gz GYLOESMXPGZNAY-UYAOXDASSA-N -1 3 400.544 3.853 20 0 HHADHM CC1(C)Cc2ccc(C(=O)Nc3ccc(-c4nnc5n4CCCC5)cc3)c([O-])c2O1 ZINC000436556121 981441089 /nfs/dbraw/zinc/44/10/89/981441089.db2.gz OXFYJPQLAGCDJI-UHFFFAOYSA-N -1 3 404.470 3.953 20 0 HHADHM O=C(Nc1cccc(C[S@](=O)C2CCCCC2)c1)c1cc2c(cc1[O-])OCO2 ZINC000436557417 981442594 /nfs/dbraw/zinc/44/25/94/981442594.db2.gz VXNJRAXABOJJDF-NDEPHWFRSA-N -1 3 401.484 3.955 20 0 HHADHM NC(=O)C1CCN(Cc2cccc(NC(=O)c3c([O-])cc(Cl)cc3Cl)c2)CC1 ZINC000436559199 981443889 /nfs/dbraw/zinc/44/38/89/981443889.db2.gz ZBJRRWDEPPRXLT-UHFFFAOYSA-N -1 3 422.312 3.649 20 0 HHADHM O=C(Cc1ccc(NC(=O)c2cc3c(cc2[O-])OCO3)cc1)Nc1ccccc1F ZINC000436560427 981444548 /nfs/dbraw/zinc/44/45/48/981444548.db2.gz CTYBGGWSECYEQI-UHFFFAOYSA-N -1 3 408.385 3.694 20 0 HHADHM C[C@@H]1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2cc(F)ccc2[O-])c1 ZINC000436565476 981447998 /nfs/dbraw/zinc/44/79/98/981447998.db2.gz RFSCKIVHWSUMRN-CYBMUJFWSA-N -1 3 403.429 3.736 20 0 HHADHM COc1ccc(Cn2nccc2NC(=O)c2ccc(C)c(C)c2[O-])c(OC)c1OC ZINC000436566634 981448724 /nfs/dbraw/zinc/44/87/24/981448724.db2.gz WUYWHCIIXLIKAS-UHFFFAOYSA-N -1 3 411.458 3.532 20 0 HHADHM CCc1nsc(N2CCN(C(=O)c3cc(Oc4ccccc4)ccc3[O-])CC2)n1 ZINC000436573190 981452467 /nfs/dbraw/zinc/45/24/67/981452467.db2.gz HPVBDVRSNGIOJH-UHFFFAOYSA-N -1 3 410.499 3.561 20 0 HHADHM O=C(NC1CCN(Cc2ccc(Br)cc2)CC1)c1cc(F)ccc1[O-] ZINC000436572936 981452613 /nfs/dbraw/zinc/45/26/13/981452613.db2.gz GAUOPMVOCYMOKP-UHFFFAOYSA-N -1 3 407.283 3.688 20 0 HHADHM Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cnc1N1CCCC[C@H]1C ZINC000436576478 981455097 /nfs/dbraw/zinc/45/50/97/981455097.db2.gz LMTBCLDFDNQEPK-XLIONFOSSA-N -1 3 422.529 3.718 20 0 HHADHM CCCCN(CC)c1ccc(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000436581608 981458775 /nfs/dbraw/zinc/45/87/75/981458775.db2.gz JTXKLCZFICUXLK-UHFFFAOYSA-N -1 3 409.530 3.617 20 0 HHADHM C[C@H](c1ccccc1)N(CC(N)=O)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436583363 981460179 /nfs/dbraw/zinc/46/01/79/981460179.db2.gz JNEWXLFGPYHROD-GOSISDBHSA-N -1 3 402.494 3.866 20 0 HHADHM O=C(Nc1ccc2c(c1)S(=O)(=O)CC2)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436594250 981465175 /nfs/dbraw/zinc/46/51/75/981465175.db2.gz DSKOSGLRTOECHH-UHFFFAOYSA-N -1 3 409.463 3.553 20 0 HHADHM CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436602726 981469171 /nfs/dbraw/zinc/46/91/71/981469171.db2.gz GFXDGRJBAMNAQW-MSOLQXFVSA-N -1 3 409.530 3.691 20 0 HHADHM CC(C)OCc1nc([C@@H](C)NC(=O)c2cc(CCc3ccccc3)ccc2[O-])no1 ZINC000436605057 981470348 /nfs/dbraw/zinc/47/03/48/981470348.db2.gz DVCWYUQSUVRFFS-MRXNPFEDSA-N -1 3 409.486 3.976 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N(Cc1ccccn1)C1CC1 ZINC000436606213 981470966 /nfs/dbraw/zinc/47/09/66/981470966.db2.gz QUOLWDBRXSJVSE-QHCPKHFHSA-N -1 3 415.493 3.840 20 0 HHADHM O=C(NC1CC(F)(c2cccc(Cl)c2)C1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436607690 981471673 /nfs/dbraw/zinc/47/16/73/981471673.db2.gz PCUFXAHJXPSBGM-OJCRERRGSA-N -1 3 416.880 3.794 20 0 HHADHM C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])c1ncc(-c2ccccc2)o1 ZINC000436616741 981476725 /nfs/dbraw/zinc/47/67/25/981476725.db2.gz FUXBOENDYGVQRC-QAPCUYQASA-N -1 3 405.454 3.529 20 0 HHADHM O=C(NCc1cc(Cl)ccc1OC(F)F)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436616306 981476731 /nfs/dbraw/zinc/47/67/31/981476731.db2.gz DRCWSZHIFRJWMB-HNNXBMFYSA-N -1 3 424.831 3.568 20 0 HHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCCN(c2nccs2)CC1 ZINC000436617891 981477347 /nfs/dbraw/zinc/47/73/47/981477347.db2.gz JQHMBPXLMMCLNU-UHFFFAOYSA-N -1 3 407.539 3.986 20 0 HHADHM CC1(C)C[C@H](NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c2ccc(F)cc2O1 ZINC000436622192 981479534 /nfs/dbraw/zinc/47/95/34/981479534.db2.gz CTWVKNCOVCUTKL-ZWKOTPCHSA-N -1 3 412.461 3.555 20 0 HHADHM O=C(Nc1cc(Br)ccc1F)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436622785 981479780 /nfs/dbraw/zinc/47/97/80/981479780.db2.gz XXFHPNSUEKMRGZ-HNNXBMFYSA-N -1 3 407.239 3.537 20 0 HHADHM CN(Cc1cccc(OC(F)(F)F)c1)C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436630354 981483070 /nfs/dbraw/zinc/48/30/70/981483070.db2.gz MWLYWEGNHGFAGF-QGZVFWFLSA-N -1 3 422.403 3.554 20 0 HHADHM O=C(Nc1ccc(Cl)c(OC(F)F)c1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436630415 981483793 /nfs/dbraw/zinc/48/37/93/981483793.db2.gz NNJYUWGUTQRXPL-AWEZNQCLSA-N -1 3 410.804 3.890 20 0 HHADHM Cc1coc(-c2cc(NC(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])ccc2C)n1 ZINC000436631787 981484229 /nfs/dbraw/zinc/48/42/29/981484229.db2.gz WXBFURHKLXFNOH-LJQANCHMSA-N -1 3 405.454 3.907 20 0 HHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N(C)[C@H](C)c3ccccn3)cs2)c1 ZINC000436633139 981484263 /nfs/dbraw/zinc/48/42/63/981484263.db2.gz IXTGAVNWCJJUBY-CQSZACIVSA-N -1 3 410.499 3.567 20 0 HHADHM COc1c(Cl)cc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1Cl ZINC000436633263 981484395 /nfs/dbraw/zinc/48/43/95/981484395.db2.gz AFBGFEWRMPIUPK-HNNXBMFYSA-N -1 3 409.269 3.951 20 0 HHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N(C)[C@@H]3CCCC[C@@H]3C)cs2)c1 ZINC000436635584 981485841 /nfs/dbraw/zinc/48/58/41/981485841.db2.gz MBMJKLSPTGQWJQ-WMLDXEAASA-N -1 3 401.532 3.989 20 0 HHADHM COc1ccc2c(c1)CCN2C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000436635835 981486303 /nfs/dbraw/zinc/48/63/03/981486303.db2.gz RVRVZPUUALVJOY-UHFFFAOYSA-N -1 3 423.494 3.550 20 0 HHADHM CS[C@H]1CCC[C@H](NC(=O)Cc2csc(NC(=O)c3cc(C)ccc3[O-])n2)C1 ZINC000436635941 981486329 /nfs/dbraw/zinc/48/63/29/981486329.db2.gz NGXKTNTWDTXTDI-ZFWWWQNUSA-N -1 3 419.572 3.742 20 0 HHADHM CCC[C@@H]1SCCN1C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000436636987 981487136 /nfs/dbraw/zinc/48/71/36/981487136.db2.gz XVPKSBDFGVONGT-KRWDZBQOSA-N -1 3 405.545 3.654 20 0 HHADHM CCSCC[C@@H](C)N(C)C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000436638322 981487604 /nfs/dbraw/zinc/48/76/04/981487604.db2.gz GPRXVKHQFJQMJR-CQSZACIVSA-N -1 3 421.588 3.942 20 0 HHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3CCS[C@@H](C(C)C)C3)cs2)c1 ZINC000436641167 981488907 /nfs/dbraw/zinc/48/89/07/981488907.db2.gz UJOJVPVQAHWWHD-QGZVFWFLSA-N -1 3 419.572 3.552 20 0 HHADHM CCc1nc(NC(=O)Cc2csc(NC(=O)c3cc(C)ccc3[O-])n2)sc1C ZINC000436640617 981489054 /nfs/dbraw/zinc/48/90/54/981489054.db2.gz YFXHOENPAJMFRS-UHFFFAOYSA-N -1 3 416.528 3.918 20 0 HHADHM CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1ccc(OC)cc1[O-] ZINC000436654799 981493873 /nfs/dbraw/zinc/49/38/73/981493873.db2.gz JGRXXIPMLJDAIM-UHFFFAOYSA-N -1 3 401.850 3.755 20 0 HHADHM O=C(Nc1cccc(CN2CCOCC2)n1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436662443 981498359 /nfs/dbraw/zinc/49/83/59/981498359.db2.gz CRJNKTQUHILYQI-UHFFFAOYSA-N -1 3 405.454 3.664 20 0 HHADHM CC(C)(C)c1ccc2c(c1)CN(C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])CC2 ZINC000436662280 981498376 /nfs/dbraw/zinc/49/83/76/981498376.db2.gz YDCKSTNDXKFYRX-NRFANRHFSA-N -1 3 406.526 3.879 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C)[C@H]2CCc3ccccc3C2)c1 ZINC000436667291 981500602 /nfs/dbraw/zinc/50/06/02/981500602.db2.gz XFMMAYQLKJWUOB-SFHVURJKSA-N -1 3 405.454 3.570 20 0 HHADHM COCc1nc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])sc1C(=O)OC ZINC000436668591 981501232 /nfs/dbraw/zinc/50/12/32/981501232.db2.gz YKCMSOZQHXVIMD-UHFFFAOYSA-N -1 3 412.467 3.625 20 0 HHADHM CCS[C@H]1CCCCN(C(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])C1 ZINC000436668699 981501394 /nfs/dbraw/zinc/50/13/94/981501394.db2.gz DXUJAACEZLTURA-HNNXBMFYSA-N -1 3 403.504 3.689 20 0 HHADHM Cc1nc(-c2ccc(C)cc2C)sc1C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000436679248 981508274 /nfs/dbraw/zinc/50/82/74/981508274.db2.gz FVVZBWFZHOESEZ-UHFFFAOYSA-N -1 3 409.511 3.601 20 0 HHADHM O=C(C[C@H](Cc1ccccc1)c1ccccc1)NCCNC(=O)c1ccc([O-])cc1 ZINC000436683999 981511138 /nfs/dbraw/zinc/51/11/38/981511138.db2.gz XCKQYVKVCKCMHT-QFIPXVFZSA-N -1 3 402.494 3.655 20 0 HHADHM O=C(NCC(F)(F)c1ccc(Cl)cc1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436684958 981511558 /nfs/dbraw/zinc/51/15/58/981511558.db2.gz JOIBUCCJVQZSFE-MRXNPFEDSA-N -1 3 408.832 3.558 20 0 HHADHM Cc1ccc(C(=O)NCCc2nc(Cc3cccc(C(F)(F)F)c3)no2)c([O-])c1 ZINC000436686613 981512522 /nfs/dbraw/zinc/51/25/22/981512522.db2.gz FNKNCCOUXRBCIU-UHFFFAOYSA-N -1 3 405.376 3.666 20 0 HHADHM Cc1ccc(C(=O)NCCc2nc(CCCOc3cccc(C)c3C)no2)c([O-])c1 ZINC000436686357 981512572 /nfs/dbraw/zinc/51/25/72/981512572.db2.gz FAGZNEQQYZEACD-UHFFFAOYSA-N -1 3 409.486 3.685 20 0 HHADHM O=c1nc(CN2CCO[C@H](c3cccc(O)c3)C2)[n-]c2scc(-c3ccco3)c21 ZINC000436688816 981513856 /nfs/dbraw/zinc/51/38/56/981513856.db2.gz CHVSHJYTWUYKJR-KRWDZBQOSA-N -1 3 409.467 3.936 20 0 HHADHM CC[C@@H](NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccc(Cl)s1 ZINC000436688883 981514090 /nfs/dbraw/zinc/51/40/90/981514090.db2.gz PIBDEMPFABJDDH-OAHLLOKOSA-N -1 3 407.923 3.726 20 0 HHADHM CC(C)(CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])c1ccc(Cl)cc1 ZINC000436694844 981518079 /nfs/dbraw/zinc/51/80/79/981518079.db2.gz CYIXNTQURLLHSK-SFHVURJKSA-N -1 3 400.906 3.744 20 0 HHADHM CC(C)c1nn(-c2ccccc2)cc1CN1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436696602 981518617 /nfs/dbraw/zinc/51/86/17/981518617.db2.gz JFVDBLYWRKQDRO-UHFFFAOYSA-N -1 3 404.514 3.659 20 0 HHADHM Cc1nn(-c2ccc(Cl)cc2)c(C)c1CN1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436696416 981518658 /nfs/dbraw/zinc/51/86/58/981518658.db2.gz IKZMQWMMOHWGCD-UHFFFAOYSA-N -1 3 424.932 3.806 20 0 HHADHM CCCc1nc(C)c(NC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)s1 ZINC000436696704 981518709 /nfs/dbraw/zinc/51/87/09/981518709.db2.gz IUYUXBNUQKPHIX-UHFFFAOYSA-N -1 3 402.520 3.536 20 0 HHADHM COc1ccc(-n2nc(C(=O)Nc3cc(Br)ccc3[O-])cc2C)cc1 ZINC000436701943 981520625 /nfs/dbraw/zinc/52/06/25/981520625.db2.gz GGTZAQODYYHBBQ-UHFFFAOYSA-N -1 3 402.248 3.910 20 0 HHADHM COC(=O)C[C@](C)(NC(=O)c1cc(Cc2ccccc2)ccc1[O-])c1ccccn1 ZINC000436706142 981522060 /nfs/dbraw/zinc/52/20/60/981522060.db2.gz UNJBVALXMQJAQN-DEOSSOPVSA-N -1 3 404.466 3.586 20 0 HHADHM CCCOc1ccc(Cl)cc1C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436705438 981522146 /nfs/dbraw/zinc/52/21/46/981522146.db2.gz NKQVLLWWXWSZED-UHFFFAOYSA-N -1 3 416.905 3.869 20 0 HHADHM O=C(Nc1ccc(OC(F)F)cc1F)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436707629 981522810 /nfs/dbraw/zinc/52/28/10/981522810.db2.gz VJYWUNGFHCYEEZ-UHFFFAOYSA-N -1 3 423.391 3.559 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc(Cc3nc(C(C)C)no3)cc2)c([O-])c1 ZINC000436713975 981526921 /nfs/dbraw/zinc/52/69/21/981526921.db2.gz SDVLIOCPYHUHHP-UHFFFAOYSA-N -1 3 422.485 3.556 20 0 HHADHM CC(C)(C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)S(=O)(=O)C1CC1 ZINC000436715668 981527545 /nfs/dbraw/zinc/52/75/45/981527545.db2.gz LXOAEPQMHIRJTF-UHFFFAOYSA-N -1 3 416.524 3.963 20 0 HHADHM O=C(Nc1ncc(-c2ccccc2F)s1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436717698 981528787 /nfs/dbraw/zinc/52/87/87/981528787.db2.gz UTVNUWPQEUKQBQ-MRXNPFEDSA-N -1 3 411.458 3.898 20 0 HHADHM COCC(C)(C)CCCNC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000436728632 981534589 /nfs/dbraw/zinc/53/45/89/981534589.db2.gz MTTHALWMBUUKPK-UHFFFAOYSA-N -1 3 419.547 3.521 20 0 HHADHM CCN(CCCNC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-])c1ccccc1 ZINC000436728452 981534648 /nfs/dbraw/zinc/53/46/48/981534648.db2.gz LVFLSENARKBMQP-UHFFFAOYSA-N -1 3 422.485 3.587 20 0 HHADHM Cc1ccc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c(O)c1C ZINC000436735000 981537667 /nfs/dbraw/zinc/53/76/67/981537667.db2.gz BFMYDWAIHDWSJY-UHFFFAOYSA-N -1 3 402.878 3.859 20 0 HHADHM Cc1cccc([C@H](NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)C(C)(C)C)c1 ZINC000436736827 981538063 /nfs/dbraw/zinc/53/80/63/981538063.db2.gz HMFDKQVZVYFBQI-NRFANRHFSA-N -1 3 409.530 3.955 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)N2CCC(Oc3ccccc3Cl)CC2)c([O-])c1 ZINC000436738740 981539513 /nfs/dbraw/zinc/53/95/13/981539513.db2.gz MILTUFLJDZJEBG-UHFFFAOYSA-N -1 3 416.905 3.544 20 0 HHADHM O=C(N[C@H]1CCCOc2c(Cl)cccc21)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436740123 981540091 /nfs/dbraw/zinc/54/00/91/981540091.db2.gz PSJJAAOUYMHEKW-ZWKOTPCHSA-N -1 3 414.889 3.680 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)CCOCc2ccccc2)c1 ZINC000436741549 981540877 /nfs/dbraw/zinc/54/08/77/981540877.db2.gz SYMJRFIQXLIDPK-HNNXBMFYSA-N -1 3 423.469 3.666 20 0 HHADHM CSc1ccc(Cl)cc1NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436748580 981543874 /nfs/dbraw/zinc/54/38/74/981543874.db2.gz PNVUKGVYCMHKII-UHFFFAOYSA-N -1 3 405.907 3.757 20 0 HHADHM C[C@H](CSc1ccc(F)cc1)C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436749209 981543937 /nfs/dbraw/zinc/54/39/37/981543937.db2.gz YAKVKFKXDCQZGE-OAHLLOKOSA-N -1 3 416.518 3.681 20 0 HHADHM Cc1ccc(C(=O)N2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)c([O-])c1 ZINC000436759298 981549716 /nfs/dbraw/zinc/54/97/16/981549716.db2.gz WONZHMUCJNJKTR-ZDUSSCGKSA-N -1 3 404.392 3.782 20 0 HHADHM CCNC(=O)COc1cccc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])c1 ZINC000436761415 981550308 /nfs/dbraw/zinc/55/03/08/981550308.db2.gz ZLHPNTVIKLWBDZ-UHFFFAOYSA-N -1 3 420.465 3.738 20 0 HHADHM O=C(c1cc2c(cc1[O-])OCO2)N(Cc1cc(Br)ccc1F)C1CC1 ZINC000436763415 981551472 /nfs/dbraw/zinc/55/14/72/981551472.db2.gz XSNOIEYACNCOTR-UHFFFAOYSA-N -1 3 408.223 3.827 20 0 HHADHM Cc1nc(-c2cc3c(s2)CCN(C(=O)c2cc4c(cc2[O-])OCO4)C3)cs1 ZINC000436763759 981551478 /nfs/dbraw/zinc/55/14/78/981551478.db2.gz HQSOWKVZJBRHFZ-UHFFFAOYSA-N -1 3 400.481 3.813 20 0 HHADHM COc1cc(-c2ccccc2)sc1C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436766120 981553034 /nfs/dbraw/zinc/55/30/34/981553034.db2.gz CPLYPSYIFUCAHB-UHFFFAOYSA-N -1 3 422.506 3.728 20 0 HHADHM CC(C)c1ccc(O[C@H](C)CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000436769567 981553907 /nfs/dbraw/zinc/55/39/07/981553907.db2.gz KEBPVXKYOUNHBI-DYESRHJHSA-N -1 3 410.514 3.704 20 0 HHADHM C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436775127 981555978 /nfs/dbraw/zinc/55/59/78/981555978.db2.gz OUMDQBQDNWIURS-AWEZNQCLSA-N -1 3 404.919 3.511 20 0 HHADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)c2cc(-c3ccccn3)ccc2Cl)CC1 ZINC000436784726 981559938 /nfs/dbraw/zinc/55/99/38/981559938.db2.gz BMACFUQGVIEJNX-UHFFFAOYSA-N -1 3 421.884 3.706 20 0 HHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1c[nH]cc1-c1ccccc1F ZINC000436784901 981560074 /nfs/dbraw/zinc/56/00/74/981560074.db2.gz RZMSODNFOSCALY-UHFFFAOYSA-N -1 3 407.445 3.561 20 0 HHADHM C[C@H](Cc1ccccc1)n1cccc1C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436797270 981567120 /nfs/dbraw/zinc/56/71/20/981567120.db2.gz ZTDLYRMEYCLXJL-LJQANCHMSA-N -1 3 417.509 3.596 20 0 HHADHM COc1ccc(-c2cc(C(=O)Nc3cc(Br)ccc3[O-])n[nH]2)cc1OC ZINC000436800750 981568202 /nfs/dbraw/zinc/56/82/02/981568202.db2.gz XRJMEUSENZQVCN-UHFFFAOYSA-N -1 3 418.247 3.814 20 0 HHADHM O=C(C[C@@H](c1ccccc1)C(F)(F)F)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436805900 981570281 /nfs/dbraw/zinc/57/02/81/981570281.db2.gz DYHYLBKLZIMMHC-SFHVURJKSA-N -1 3 420.431 3.849 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@H]1COc2ccc(F)cc21 ZINC000436806630 981570291 /nfs/dbraw/zinc/57/02/91/981570291.db2.gz IHPLHPGLAPUCAC-SFTDATJTSA-N -1 3 420.440 3.642 20 0 HHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCC(Oc2cnccn2)CC1 ZINC000436817957 981575100 /nfs/dbraw/zinc/57/51/00/981575100.db2.gz ZBBJHRXDYCNSFJ-UHFFFAOYSA-N -1 3 403.482 3.651 20 0 HHADHM O=C(COc1ccccc1NC(=O)c1ccc2c(c1[O-])CCCC2)Nc1cccnc1 ZINC000436821456 981576518 /nfs/dbraw/zinc/57/65/18/981576518.db2.gz WUDYFWGPYRQMIQ-UHFFFAOYSA-N -1 3 417.465 3.936 20 0 HHADHM COc1ccc(C(=O)N[C@@H](Cc2ccc(O)cc2)c2nc3ccccc3[nH]2)c([O-])c1 ZINC000436821451 981576581 /nfs/dbraw/zinc/57/65/81/981576581.db2.gz WRUXYUXNKXNABZ-FQEVSTJZSA-N -1 3 403.438 3.697 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCC[C@@H](OCC2CC2)C1 ZINC000436821361 981576706 /nfs/dbraw/zinc/57/67/06/981576706.db2.gz PAZHXLUWBAWXPM-PKTZIBPZSA-N -1 3 422.525 3.671 20 0 HHADHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1ccc(COc2ccccc2)cc1 ZINC000436823743 981577091 /nfs/dbraw/zinc/57/70/91/981577091.db2.gz CPKLJIUNJOJJLL-UHFFFAOYSA-N -1 3 405.454 3.523 20 0 HHADHM CC(C)Oc1c(F)cc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1F ZINC000436825905 981578388 /nfs/dbraw/zinc/57/83/88/981578388.db2.gz IIPQNAQBWXJVQA-QGZVFWFLSA-N -1 3 404.413 3.701 20 0 HHADHM C[C@@H]1C[C@@H](CCNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCO1 ZINC000436835418 981582097 /nfs/dbraw/zinc/58/20/97/981582097.db2.gz WDCYQZUHIHFQBS-FGSXEWAUSA-N -1 3 410.514 3.575 20 0 HHADHM O=C(CCSc1ccc(Cl)cc1)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436836094 981582914 /nfs/dbraw/zinc/58/29/14/981582914.db2.gz CASRIZQJMNWZHN-UHFFFAOYSA-N -1 3 418.946 3.949 20 0 HHADHM COc1cc(C(=O)N[C@@H](C)[C@H](OC)c2ccc(Br)cc2)cc(OC)c1[O-] ZINC000436836713 981583089 /nfs/dbraw/zinc/58/30/89/981583089.db2.gz ICACPZNUYOBFSL-VOJFVSQTSA-N -1 3 424.291 3.678 20 0 HHADHM O=C(c1ccc([O-])cc1)N1CCN(CCCc2ccccc2Br)CC1 ZINC000436838118 981584296 /nfs/dbraw/zinc/58/42/96/981584296.db2.gz QDINCRUCDOHJOD-UHFFFAOYSA-N -1 3 403.320 3.545 20 0 HHADHM CCC1(CC)Oc2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])cc2O1 ZINC000436841382 981585244 /nfs/dbraw/zinc/58/52/44/981585244.db2.gz ZGERVHNHXZNEFC-KRWDZBQOSA-N -1 3 410.470 3.923 20 0 HHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2C[C@H](c3cccc(C(F)(F)F)c3)OC[C@@H]2C)c1 ZINC000436853181 981592240 /nfs/dbraw/zinc/59/22/40/981592240.db2.gz JSBSVRODGSMJCK-HXPMCKFVSA-N -1 3 422.403 3.972 20 0 HHADHM C[C@@H](c1ccncc1)N1CCC(NC(=O)c2cc(F)cc(Br)c2[O-])CC1 ZINC000436857727 981594734 /nfs/dbraw/zinc/59/47/34/981594734.db2.gz DFJMQROKTKYGGD-LBPRGKRZSA-N -1 3 422.298 3.644 20 0 HHADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)CC1 ZINC000436861162 981596070 /nfs/dbraw/zinc/59/60/70/981596070.db2.gz ATAPVYWZQLSMDW-XZOQPEGZSA-N -1 3 400.478 3.634 20 0 HHADHM Cc1ccc(OCCCC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1C ZINC000436873345 981598406 /nfs/dbraw/zinc/59/84/06/981598406.db2.gz VXJODKVYRRPCNH-UHFFFAOYSA-N -1 3 410.514 3.589 20 0 HHADHM C[C@H](CC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccccc1C(F)(F)F ZINC000436883085 981600641 /nfs/dbraw/zinc/60/06/41/981600641.db2.gz AYZMZJDHYRPWRG-OAHLLOKOSA-N -1 3 420.431 3.889 20 0 HHADHM O=C(CCC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1csc2ccccc12 ZINC000436887551 981601705 /nfs/dbraw/zinc/60/17/05/981601705.db2.gz QQSHTRGPKYFQSQ-UHFFFAOYSA-N -1 3 422.506 3.554 20 0 HHADHM Cc1ccc2nc(C3CC3)cc(C(=O)N3CCN(C(=O)c4ccc([O-])cc4)CC3)c2c1 ZINC000436887266 981601843 /nfs/dbraw/zinc/60/18/43/981601843.db2.gz WPRTVDSOVVFMCU-UHFFFAOYSA-N -1 3 415.493 3.724 20 0 HHADHM C[C@@H]1CCC[C@@H](OCCCCCC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC000436887980 981602205 /nfs/dbraw/zinc/60/22/05/981602205.db2.gz SAXGCVFLFKTSKY-DENIHFKCSA-N -1 3 416.562 3.832 20 0 HHADHM [O-]c1cc2c(cc1-c1nc(Cc3ccc(OCc4cccnc4)cc3)no1)OCO2 ZINC000436900307 981606667 /nfs/dbraw/zinc/60/66/67/981606667.db2.gz BTUANGFMGWLGRS-UHFFFAOYSA-N -1 3 403.394 3.736 20 0 HHADHM COc1cc(CNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)ccc1C ZINC000436902321 981608441 /nfs/dbraw/zinc/60/84/41/981608441.db2.gz FLQCLJQPPXRCKP-QFIPXVFZSA-N -1 3 418.493 3.887 20 0 HHADHM COc1ccc(CCNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cc1 ZINC000436903991 981610037 /nfs/dbraw/zinc/61/00/37/981610037.db2.gz OPCPVIIETWFNGS-QHCPKHFHSA-N -1 3 418.493 3.621 20 0 HHADHM C[C@@H](CCc1ccco1)NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436904376 981610044 /nfs/dbraw/zinc/61/00/44/981610044.db2.gz PQIOXNLIYYMGNB-HTAPYJJXSA-N -1 3 406.482 3.984 20 0 HHADHM Cc1cc([C@@H]2CCCN2C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)on1 ZINC000436905880 981611864 /nfs/dbraw/zinc/61/18/64/981611864.db2.gz BMEPKIZYOKIPRT-SFTDATJTSA-N -1 3 419.481 3.914 20 0 HHADHM O=C(NCc1ccc(Oc2ccccc2)nc1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436909245 981614652 /nfs/dbraw/zinc/61/46/52/981614652.db2.gz YCDUIOCEVAHUOJ-FQEVSTJZSA-N -1 3 417.465 3.501 20 0 HHADHM C[C@H](c1ccncc1)N(C)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436909953 981615360 /nfs/dbraw/zinc/61/53/60/981615360.db2.gz MNFZRMSMMLUVAO-VGSWGCGISA-N -1 3 403.482 3.868 20 0 HHADHM C[C@@H](c1ccncc1)N(C)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436909941 981615476 /nfs/dbraw/zinc/61/54/76/981615476.db2.gz MNFZRMSMMLUVAO-HTAPYJJXSA-N -1 3 403.482 3.868 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCCOc1cccc(F)c1 ZINC000436910477 981616164 /nfs/dbraw/zinc/61/61/64/981616164.db2.gz OGYBCNHBZYUCJG-QFIPXVFZSA-N -1 3 422.456 3.588 20 0 HHADHM Cc1ccc(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])cc1N1C(=O)CNC1=O ZINC000436910365 981616180 /nfs/dbraw/zinc/61/61/80/981616180.db2.gz CMABUZZIFVTOMY-UHFFFAOYSA-N -1 3 417.421 3.801 20 0 HHADHM Cc1ccncc1CN(C)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436910412 981616282 /nfs/dbraw/zinc/61/62/82/981616282.db2.gz NXCNJPKUDCUJPC-JOCHJYFZSA-N -1 3 403.482 3.615 20 0 HHADHM CCOc1cccc(CNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC000436910857 981616893 /nfs/dbraw/zinc/61/68/93/981616893.db2.gz OTVDIFCLYVGUMG-HSZRJFAPSA-N -1 3 418.493 3.969 20 0 HHADHM C/C(=C/c1ccccc1OC(F)F)CN1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436912667 981618651 /nfs/dbraw/zinc/61/86/51/981618651.db2.gz XXDYNCKIQFINID-PEZBUJJGSA-N -1 3 402.441 3.855 20 0 HHADHM CC(C)Cn1nccc1NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436917423 981622946 /nfs/dbraw/zinc/62/29/46/981622946.db2.gz ZDIQRUQRPVLNAE-FQEVSTJZSA-N -1 3 406.486 3.745 20 0 HHADHM COc1ccc([O-])c(-c2nc(Cc3ccc(OCC(F)(F)F)c(OC)c3)no2)c1 ZINC000436918828 981623736 /nfs/dbraw/zinc/62/37/36/981623736.db2.gz KPEZQYVIGYNPLZ-UHFFFAOYSA-N -1 3 410.348 3.991 20 0 HHADHM CCc1nc(CNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cs1 ZINC000436927042 981628559 /nfs/dbraw/zinc/62/85/59/981628559.db2.gz 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Cc1nc(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)ccc1-c1ccccc1 ZINC000436944350 981636970 /nfs/dbraw/zinc/63/69/70/981636970.db2.gz PLXYNGARXNOZRS-UHFFFAOYSA-N -1 3 416.481 3.753 20 0 HHADHM Cc1cc(N2CCCCCC2)ccc1NC(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000436944849 981637785 /nfs/dbraw/zinc/63/77/85/981637785.db2.gz LGJIUHUKPRDQIR-UHFFFAOYSA-N -1 3 410.518 3.633 20 0 HHADHM O=C(CCc1ccc2ccccc2c1)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436949732 981639925 /nfs/dbraw/zinc/63/99/25/981639925.db2.gz ZAHSWBFMMMHGHQ-UHFFFAOYSA-N -1 3 402.494 3.899 20 0 HHADHM CCC[C@@H]1CCc2nc(NC(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])sc2C1 ZINC000436950616 981641481 /nfs/dbraw/zinc/64/14/81/981641481.db2.gz ZZKCDLIQHRCBLH-RHSMWYFYSA-N -1 3 413.543 3.997 20 0 HHADHM COc1cc(NC(=O)c2ccc3c(c2[O-])CCCC3)c(C(=O)N2CCCC2)cc1OC ZINC000436950623 981641531 /nfs/dbraw/zinc/64/15/31/981641531.db2.gz NNCZMIDFSOHNEC-UHFFFAOYSA-N -1 3 424.497 3.777 20 0 HHADHM CN(C)C(=O)COc1ccc(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])cc1 ZINC000436953489 981643463 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981659434 /nfs/dbraw/zinc/65/94/34/981659434.db2.gz AMMNLAVSPNOZNN-UHFFFAOYSA-N -1 3 423.469 3.968 20 0 HHADHM CCCCOc1ccc(C(=O)N2CCC3(C[C@H]3C(=O)N3CCCCC3)CC2)c([O-])c1 ZINC000436979872 981663663 /nfs/dbraw/zinc/66/36/63/981663663.db2.gz NGBRVZZNTHZBGC-FQEVSTJZSA-N -1 3 414.546 3.826 20 0 HHADHM CCC1(CC)[C@H](NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])[C@H](C)[C@@H]1OC ZINC000436981974 981665827 /nfs/dbraw/zinc/66/58/27/981665827.db2.gz WGXBBZQNTHMUAB-RQUSPXKASA-N -1 3 415.490 3.510 20 0 HHADHM C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436983289 981666863 /nfs/dbraw/zinc/66/68/63/981666863.db2.gz WJVICWZFKJIUHU-HNNXBMFYSA-N -1 3 420.431 3.574 20 0 HHADHM CCCCOc1ccc(C(=O)N2CCC(O)(Cc3ccc(F)cc3)CC2)c([O-])c1 ZINC000436984650 981667753 /nfs/dbraw/zinc/66/77/53/981667753.db2.gz YZYZSPLYBZSCSF-UHFFFAOYSA-N -1 3 401.478 3.920 20 0 HHADHM COc1cc(C)c(NC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c(C)c1C ZINC000436991536 981672432 /nfs/dbraw/zinc/67/24/32/981672432.db2.gz YSKQBSCABWGERI-UHFFFAOYSA-N -1 3 411.502 3.752 20 0 HHADHM CCCCOc1ccc(C(=O)N2CCC[C@H](CNC(=O)c3ccccc3)C2)c([O-])c1 ZINC000436991454 981672666 /nfs/dbraw/zinc/67/26/66/981672666.db2.gz YELSDGZMNIXRME-GOSISDBHSA-N -1 3 410.514 3.853 20 0 HHADHM CC(C)Cn1cc(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c2ccccc21 ZINC000436994697 981674440 /nfs/dbraw/zinc/67/44/40/981674440.db2.gz AGFXHFHKEYEAAC-UHFFFAOYSA-N -1 3 405.498 3.601 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1n[nH]c2cc(F)ccc21 ZINC000436995545 981675157 /nfs/dbraw/zinc/67/51/57/981675157.db2.gz QOSHMFIGYVFDEY-LJQANCHMSA-N -1 3 418.428 3.908 20 0 HHADHM O=C(N[C@@H]1C[C@H]1c1cccc2ccccc21)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436997486 981676116 /nfs/dbraw/zinc/67/61/16/981676116.db2.gz GFELLWJDVAXGMJ-BDTNDASRSA-N -1 3 400.478 3.822 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NC[C@@H]1CCC(F)(F)C1 ZINC000437002750 981679099 /nfs/dbraw/zinc/67/90/99/981679099.db2.gz SIRDXJGGBSKFJD-DNVCBOLYSA-N -1 3 402.441 3.805 20 0 HHADHM CC(C)(c1ccc(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1)C(F)(F)F ZINC000437002725 981679215 /nfs/dbraw/zinc/67/92/15/981679215.db2.gz SDYKGGXPLLDJAR-UHFFFAOYSA-N -1 3 420.431 3.830 20 0 HHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCN(Cc2ccccn2)CC1 ZINC000437004790 981680477 /nfs/dbraw/zinc/68/04/77/981680477.db2.gz XEOIORIMRKMJES-UHFFFAOYSA-N -1 3 401.510 3.530 20 0 HHADHM CC(C)[C@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)CCS1 ZINC000437203843 981861195 /nfs/dbraw/zinc/86/11/95/981861195.db2.gz VWZVBJFAGVXEKM-LJQANCHMSA-N -1 3 422.547 3.840 20 0 HHADHM CCN1CCN(c2ccc(Cl)cc2[N-]S(=O)(=O)c2cccc(F)c2C)CC1 ZINC000437334303 981984832 /nfs/dbraw/zinc/98/48/32/981984832.db2.gz QZAQBBWYDGVCEM-UHFFFAOYSA-N -1 3 411.930 3.730 20 0 HHADHM CCC[C@]1(C)CCCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)C1 ZINC000437372604 982018571 /nfs/dbraw/zinc/01/85/71/982018571.db2.gz KINQWRAXOIJCBV-HXUWFJFHSA-N -1 3 407.511 3.997 20 0 HHADHM CCOc1ccc(NC(=O)C(=O)Nc2cccc(-c3nc(CC)cc(=O)[n-]3)c2)cc1F ZINC000437494482 982120888 /nfs/dbraw/zinc/12/08/88/982120888.db2.gz MNSDIJLIKOQLNE-UHFFFAOYSA-N -1 3 424.432 3.527 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CC[C@]2(C1)CCc1ccccc1O2 ZINC000460357445 982130656 /nfs/dbraw/zinc/13/06/56/982130656.db2.gz HFJBUNZCFBUDPX-FQEVSTJZSA-N -1 3 417.303 3.834 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]c2ccc(NC(=O)NC[C@@H]3CCCO3)cc2)cc(C)c1F ZINC000460438899 982229915 /nfs/dbraw/zinc/22/99/15/982229915.db2.gz RRLXXKDKUDRGGI-KRWDZBQOSA-N -1 3 421.494 3.544 20 0 HHADHM COC(=O)c1cc(Cl)c([N-]S(=O)(=O)Cc2ccccc2Cl)cc1OC ZINC000460754555 982511336 /nfs/dbraw/zinc/51/13/36/982511336.db2.gz QJZXASDHFBNILS-UHFFFAOYSA-N -1 3 404.271 3.731 20 0 HHADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H](C)Oc3ccc(C(F)(F)F)cc3)nc21 ZINC000438176731 982633963 /nfs/dbraw/zinc/63/39/63/982633963.db2.gz SBGZEPDCOCOIKD-SNVBAGLBSA-N -1 3 407.348 3.774 20 0 HHADHM CCc1ncsc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000438244669 982677659 /nfs/dbraw/zinc/67/76/59/982677659.db2.gz SSQFRDJIEUMHDP-UHFFFAOYSA-N -1 3 405.476 3.898 20 0 HHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3c(C)nn(-c4ccc(F)cc4)c3C)nc21 ZINC000438361104 982745909 /nfs/dbraw/zinc/74/59/09/982745909.db2.gz AIWJJGWWGXWLFN-UHFFFAOYSA-N -1 3 407.405 3.543 20 0 HHADHM Cc1cccc(Oc2ccc(NC(=O)NCCNC(=O)c3ccc([O-])cc3)cn2)c1C ZINC000438381356 982755420 /nfs/dbraw/zinc/75/54/20/982755420.db2.gz AVDFERKXBHNCSW-UHFFFAOYSA-N -1 3 420.469 3.748 20 0 HHADHM CCc1noc2ncc(S(=O)(=O)[N-]c3c(C)cc(C)cc3Br)cc12 ZINC000461109305 982798823 /nfs/dbraw/zinc/79/88/23/982798823.db2.gz SYFKEHZWAVQYQH-UHFFFAOYSA-N -1 3 410.293 3.965 20 0 HHADHM CC1(C)CCC[C@](O)(CNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000438499496 982841837 /nfs/dbraw/zinc/84/18/37/982841837.db2.gz GONPDUMHCPJHOQ-PXDATVDWSA-N -1 3 424.541 3.701 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NC1CC(c2cccc(Cl)c2)C1 ZINC000461195141 982911379 /nfs/dbraw/zinc/91/13/79/982911379.db2.gz QLNIZXHRKUFVIE-UHFFFAOYSA-N -1 3 422.916 3.789 20 0 HHADHM CCOc1cc(N2CCN(C)CC2)ccc1[N-]S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000438794672 983075368 /nfs/dbraw/zinc/07/53/68/983075368.db2.gz NISUZXHFADIQNK-UHFFFAOYSA-N -1 3 417.575 3.761 20 0 HHADHM COCCOc1ccc([N-]S(=O)(=O)c2ccc(F)c(Br)c2)c(C)c1 ZINC000438800821 983078949 /nfs/dbraw/zinc/07/89/49/983078949.db2.gz INFDCKVWFNTYSX-UHFFFAOYSA-N -1 3 418.284 3.723 20 0 HHADHM Cc1ccccc1-c1nc(C[N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)no1 ZINC000438899643 983143349 /nfs/dbraw/zinc/14/33/49/983143349.db2.gz VVNWBHVFNUYRJK-UHFFFAOYSA-N -1 3 401.488 3.558 20 0 HHADHM Cc1ccc(NC(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)c(C)c1O ZINC000438964067 983181606 /nfs/dbraw/zinc/18/16/06/983181606.db2.gz GROYOTKUSLJZNV-UHFFFAOYSA-N -1 3 417.314 3.623 20 0 HHADHM Cc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c(OC(C)(C)C)c1 ZINC000439062232 983233366 /nfs/dbraw/zinc/23/33/66/983233366.db2.gz XDQYAPADXSVQPP-IBGZPJMESA-N -1 3 410.514 3.799 20 0 HHADHM Cc1ccc(OCc2ccc(C(=O)Nc3cc4c(cc3[O-])n(C)c(=O)n4C)o2)c(C)c1 ZINC000461613690 983239448 /nfs/dbraw/zinc/23/94/48/983239448.db2.gz MTVROIDBAWPDNI-UHFFFAOYSA-N -1 3 421.453 3.624 20 0 HHADHM C[C@H](Oc1ccc(C(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)cc1)c1ccccc1 ZINC000461615441 983240729 /nfs/dbraw/zinc/24/07/29/983240729.db2.gz ASUFGDUEYFJRPC-HNNXBMFYSA-N -1 3 417.465 3.975 20 0 HHADHM O=S(=O)([N-]Cc1nc(-c2cccs2)c[nH]1)c1cc(Br)ccc1F ZINC000439188590 983299570 /nfs/dbraw/zinc/29/95/70/983299570.db2.gz KOZJIEPJDCGREZ-UHFFFAOYSA-N -1 3 416.297 3.518 20 0 HHADHM C[C@@H]([N-]S(=O)(=O)c1cc(Br)c(F)cc1F)c1ccc(Cl)cn1 ZINC000439193375 983302404 /nfs/dbraw/zinc/30/24/04/983302404.db2.gz RRWKJZQWBWHWKR-SSDOTTSWSA-N -1 3 411.655 3.815 20 0 HHADHM O=S(=O)([N-]Cc1noc2ccccc21)c1cc(Br)ccc1Cl ZINC000439193194 983302549 /nfs/dbraw/zinc/30/25/49/983302549.db2.gz ZWZRQCMNYFOHNF-UHFFFAOYSA-N -1 3 401.669 3.722 20 0 HHADHM C[C@@H](c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)c1)N1CCOCC1 ZINC000439870413 983563214 /nfs/dbraw/zinc/56/32/14/983563214.db2.gz GCYIPVGPNLLJKV-INIZCTEOSA-N -1 3 416.543 3.594 20 0 HHADHM CCc1ccc([O-])c(C(=O)N2CCN(C(=O)Cc3cccc(Cl)c3)[C@@H](C)C2)c1 ZINC000440294037 983709296 /nfs/dbraw/zinc/70/92/96/983709296.db2.gz QKXQBXYQQLPVDP-HNNXBMFYSA-N -1 3 400.906 3.524 20 0 HHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(CCC(F)(F)F)cc2)ccc1OC ZINC000440301377 983711659 /nfs/dbraw/zinc/71/16/59/983711659.db2.gz DWIJLAREWUHSJJ-UHFFFAOYSA-N -1 3 417.405 3.778 20 0 HHADHM O=C(Nc1ccc(-c2cccc(C(F)(F)F)c2)cn1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000440317415 983718669 /nfs/dbraw/zinc/71/86/69/983718669.db2.gz YLKKODXSJZAJNL-UHFFFAOYSA-N -1 3 411.339 3.903 20 0 HHADHM Cc1ccccc1-c1cc(C(=O)Nc2c(C)[nH]c(=O)[n-]c2=O)c2cnn(C(C)C)c2n1 ZINC000440379555 983738854 /nfs/dbraw/zinc/73/88/54/983738854.db2.gz XJASCGFJAOJSCR-UHFFFAOYSA-N -1 3 418.457 3.750 20 0 HHADHM COCc1nc(C(=O)[N-]c2cc(S(C)(=O)=O)ccc2F)c(-c2ccccc2)s1 ZINC000440441288 983758887 /nfs/dbraw/zinc/75/88/87/983758887.db2.gz HMCFXYZUJVVSOD-UHFFFAOYSA-N -1 3 420.487 3.751 20 0 HHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@H](CO)CC(C)(C)C)c2)cc1 ZINC000440941492 983991555 /nfs/dbraw/zinc/99/15/55/983991555.db2.gz CSDYBTFEGQCCQT-SFHVURJKSA-N -1 3 418.559 3.631 20 0 HHADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(Oc3nccc(C)n3)cc2)ccc1C ZINC000441753676 984431129 /nfs/dbraw/zinc/43/11/29/984431129.db2.gz PDKNFNWNZONPMO-UHFFFAOYSA-N -1 3 412.471 3.645 20 0 HHADHM Cc1ccc([C@H](Cn2ccnc2)[N-]S(=O)(=O)c2ccc(F)c(F)c2F)c(C)c1 ZINC000441844554 984494564 /nfs/dbraw/zinc/49/45/64/984494564.db2.gz BWDRTBJMRGIBMC-INIZCTEOSA-N -1 3 409.433 3.637 20 0 HHADHM Cn1c2cc([O-])c(NC(=O)[C@H]3C[C@@H]3c3cc(Cl)cc(Cl)c3)cc2n(C)c1=O ZINC000461631587 984652190 /nfs/dbraw/zinc/65/21/90/984652190.db2.gz MIXJTGFTCPXUJO-OLZOCXBDSA-N -1 3 406.269 3.632 20 0 HHADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCCC[C@H]3O)cc2)cc1 ZINC000442214475 984733081 /nfs/dbraw/zinc/73/30/81/984733081.db2.gz CBKUSAFTCFXWBP-NHCUHLMSSA-N -1 3 405.516 3.959 20 0 HHADHM Cc1cc(N2CCNC2=O)ccc1[N-]S(=O)(=O)c1ccc(CCC(C)C)cc1 ZINC000442236842 984757432 /nfs/dbraw/zinc/75/74/32/984757432.db2.gz FHJFIRHZAALPEC-UHFFFAOYSA-N -1 3 401.532 3.914 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N3CCC4(C3)CCCCC4)c2)n1 ZINC000442273646 984784654 /nfs/dbraw/zinc/78/46/54/984784654.db2.gz RGJIEAISTMZXPQ-UHFFFAOYSA-N -1 3 408.502 3.533 20 0 HHADHM O=S(=O)([N-]CCCCCOC1CCCCC1)c1ccc(Br)cn1 ZINC000462151048 985123190 /nfs/dbraw/zinc/12/31/90/985123190.db2.gz XCDLLSVAUVVPDM-UHFFFAOYSA-N -1 3 405.358 3.642 20 0 HHADHM O=S(=O)([N-][C@@H]1CCO[C@H]1c1ccc(Cl)cc1)c1cnccc1C(F)(F)F ZINC000442734051 985192603 /nfs/dbraw/zinc/19/26/03/985192603.db2.gz DWWFYNYPOVLDNK-HIFRSBDPSA-N -1 3 406.813 3.562 20 0 HHADHM CC[C@H]([N-]S(=O)(=O)c1c(C)csc1C(=O)OC)c1nc(-c2ccccc2)c[nH]1 ZINC000442736370 985194002 /nfs/dbraw/zinc/19/40/02/985194002.db2.gz BRPQUSUCZNCVED-AWEZNQCLSA-N -1 3 419.528 3.663 20 0 HHADHM O=S(=O)([N-][C@@H]1CCCOc2cc(Cl)ccc21)c1cnccc1C(F)(F)F ZINC000442756601 985205511 /nfs/dbraw/zinc/20/55/11/985205511.db2.gz ZTTYVCAGLNPAIV-CYBMUJFWSA-N -1 3 406.813 3.946 20 0 HHADHM O=S(=O)([N-][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1cnccc1C(F)(F)F ZINC000442761981 985206909 /nfs/dbraw/zinc/20/69/09/985206909.db2.gz ZJQROWXLFSRXDF-DZGCQCFKSA-N -1 3 424.803 3.701 20 0 HHADHM O=C1[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CCCN1C1CCCCC1 ZINC000442766430 985209517 /nfs/dbraw/zinc/20/95/17/985209517.db2.gz JXEMNJKFNBEIEW-HNNXBMFYSA-N -1 3 405.347 3.595 20 0 HHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccccc1C(F)(F)F)c1cnccc1C(F)(F)F ZINC000442768278 985209605 /nfs/dbraw/zinc/20/96/05/985209605.db2.gz LEVFXQFTFILEHE-GXFFZTMASA-N -1 3 410.339 3.954 20 0 HHADHM C[C@H](Cc1ccc(Br)cc1)[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000442808552 985222020 /nfs/dbraw/zinc/22/20/20/985222020.db2.gz HUUQQNJLRXOPGV-SNVBAGLBSA-N -1 3 423.254 3.772 20 0 HHADHM CC(C)(C)OC(=O)CN[C@@]1(C)CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000442845226 985243310 /nfs/dbraw/zinc/24/33/10/985243310.db2.gz TZQPIDDBFCCHEW-VWLOTQADSA-N -1 3 424.541 3.519 20 0 HHADHM CN1CCC[C@H](C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)[C@H]1c1cccs1 ZINC000462310545 985298033 /nfs/dbraw/zinc/29/80/33/985298033.db2.gz CSOOVAWPWXJKFZ-DIFFPNOSSA-N -1 3 404.479 3.527 20 0 HHADHM Cc1c(F)c(C(F)(F)F)ccc1C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000442977668 985314478 /nfs/dbraw/zinc/31/44/78/985314478.db2.gz VWNHTKMFDNQAKY-UHFFFAOYSA-N -1 3 424.394 3.893 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000443014750 985337383 /nfs/dbraw/zinc/33/73/83/985337383.db2.gz DBAIZCTVWHCWTB-LJQANCHMSA-N -1 3 409.454 3.961 20 0 HHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H](C)c1cc(Cl)ccc1Cl ZINC000443032993 985345698 /nfs/dbraw/zinc/34/56/98/985345698.db2.gz DFDIMQNXOUIZBK-SECBINFHSA-N -1 3 406.262 3.959 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H]1CCc2ccccc2C1 ZINC000443032534 985345753 /nfs/dbraw/zinc/34/57/53/985345753.db2.gz BGBKBYSUUIMAHC-OAHLLOKOSA-N -1 3 401.509 3.524 20 0 HHADHM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2cccc3c2CN([C@@H](C)C(C)C)C3)cc1 ZINC000462366136 985353061 /nfs/dbraw/zinc/35/30/61/985353061.db2.gz PIKVAUYFEOCTPK-INIZCTEOSA-N -1 3 415.559 3.830 20 0 HHADHM COC(=O)c1cccc(S(=O)(=O)[N-]c2cccc3c2CN([C@@H](C)C(C)C)C3)c1 ZINC000462373927 985358146 /nfs/dbraw/zinc/35/81/46/985358146.db2.gz ZNSLTBDVGZTGPK-HNNXBMFYSA-N -1 3 402.516 3.634 20 0 HHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000443064838 985358944 /nfs/dbraw/zinc/35/89/44/985358944.db2.gz DDSSJKLJKURVSP-NSHDSACASA-N -1 3 419.396 3.541 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]CC1(c2ccc(Cl)cc2)CCC1 ZINC000443070770 985360934 /nfs/dbraw/zinc/36/09/34/985360934.db2.gz PDQMQPYCVGXJKO-UHFFFAOYSA-N -1 3 411.882 3.666 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]CC1(Sc2ccccc2)CCCC1 ZINC000443069389 985361135 /nfs/dbraw/zinc/36/11/35/985361135.db2.gz JGJPMKBYVUIBQP-UHFFFAOYSA-N -1 3 423.531 3.996 20 0 HHADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc3c2CN([C@H](C)C(C)C)C3)cc1 ZINC000462382367 985365044 /nfs/dbraw/zinc/36/50/44/985365044.db2.gz ZOGUAZQGIDPAFD-OAHLLOKOSA-N -1 3 402.516 3.634 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H](C)Cc1cccc(OC)c1 ZINC000443080510 985366141 /nfs/dbraw/zinc/36/61/41/985366141.db2.gz MYOTXMFQHFRDQB-ZDUSSCGKSA-N -1 3 419.524 3.606 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]CCSc1ccccc1 ZINC000443087157 985368896 /nfs/dbraw/zinc/36/88/96/985368896.db2.gz IZWRJVVPKFYWHR-UHFFFAOYSA-N -1 3 407.538 3.759 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H]1C[C@@H]1c1c(F)cccc1F ZINC000443131122 985395454 /nfs/dbraw/zinc/39/54/54/985395454.db2.gz QKZZMQOTCKSJLK-FZMZJTMJSA-N -1 3 423.462 3.801 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H](C)c2ccc3c(c2)OCO3)s1 ZINC000462430672 985401592 /nfs/dbraw/zinc/40/15/92/985401592.db2.gz UFOSWYRVKIRMLZ-SECBINFHSA-N -1 3 404.307 3.587 20 0 HHADHM COc1ccc([C@H](CN2CCCC2)NC(=O)c2cc(Cl)c([O-])c(OC)c2)cc1 ZINC000443140140 985401813 /nfs/dbraw/zinc/40/18/13/985401813.db2.gz XTWYLAITLQNPMH-SFHVURJKSA-N -1 3 404.894 3.630 20 0 HHADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]c1cc(CN2CCCC2)ccc1C ZINC000443159910 985416700 /nfs/dbraw/zinc/41/67/00/985416700.db2.gz WBEROHLQBPAXAH-UHFFFAOYSA-N -1 3 408.545 3.548 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2ccccc2OC(F)F)s1 ZINC000462463500 985422995 /nfs/dbraw/zinc/42/29/95/985422995.db2.gz MCZPNHPUUUSWRA-UHFFFAOYSA-N -1 3 412.277 3.899 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@H](c2cccc(F)c2)N(C)C)s1 ZINC000462472590 985430577 /nfs/dbraw/zinc/43/05/77/985430577.db2.gz LNNWMKPARPWYFR-CQSZACIVSA-N -1 3 421.357 3.539 20 0 HHADHM CC(C)[C@H](c1ccc(F)cc1)N(C)S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000443194153 985436851 /nfs/dbraw/zinc/43/68/51/985436851.db2.gz HVTDCCZHIRJQRJ-QGZVFWFLSA-N -1 3 423.901 3.677 20 0 HHADHM CC(C)[C@H](c1ccc(F)cc1)N(C)S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000443194153 985436854 /nfs/dbraw/zinc/43/68/54/985436854.db2.gz HVTDCCZHIRJQRJ-QGZVFWFLSA-N -1 3 423.901 3.677 20 0 HHADHM O=S(=O)([N-][C@@H](CCCO)c1ccccc1)c1cc(Br)ccc1Cl ZINC000443235976 985457005 /nfs/dbraw/zinc/45/70/05/985457005.db2.gz LJBQLCPCWOPRMZ-HNNXBMFYSA-N -1 3 418.740 3.895 20 0 HHADHM CC1(C)[C@H]([N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)[C@@H]2CCCO[C@@H]21 ZINC000462506237 985458063 /nfs/dbraw/zinc/45/80/63/985458063.db2.gz WLOQLGLQXUANHI-IMJJTQAJSA-N -1 3 412.964 3.945 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@H](C)COCc2ccccc2)s1 ZINC000462511867 985463023 /nfs/dbraw/zinc/46/30/23/985463023.db2.gz HVWINAUXIISHRT-LBPRGKRZSA-N -1 3 418.378 3.950 20 0 HHADHM COc1ccc(O[C@H](C)C[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)cc1 ZINC000462618757 985561864 /nfs/dbraw/zinc/56/18/64/985561864.db2.gz PLTSHALKCSVHGM-CQSZACIVSA-N -1 3 404.513 3.565 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CO[C@@H](C)CC)ccc2C)cc1 ZINC000443410780 985566649 /nfs/dbraw/zinc/56/66/49/985566649.db2.gz BLESRAJFZAYPCP-INIZCTEOSA-N -1 3 420.531 3.948 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CO[C@H](C)CC)ccc2C)cc1 ZINC000443410781 985567092 /nfs/dbraw/zinc/56/70/92/985567092.db2.gz BLESRAJFZAYPCP-MRXNPFEDSA-N -1 3 420.531 3.948 20 0 HHADHM COc1ccccc1O[C@H](C)C[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000462629281 985571878 /nfs/dbraw/zinc/57/18/78/985571878.db2.gz FOZDFVJXDDPKNX-CQSZACIVSA-N -1 3 404.513 3.565 20 0 HHADHM COc1ccccc1-c1noc([C@H](C)[N-]S(=O)(=O)c2ccc3c(c2)CCCC3)n1 ZINC000462667114 985605662 /nfs/dbraw/zinc/60/56/62/985605662.db2.gz PURUQIVCGODVAR-AWEZNQCLSA-N -1 3 413.499 3.664 20 0 HHADHM C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1)c1nc(-c2cccc(F)c2)no1 ZINC000462669205 985607845 /nfs/dbraw/zinc/60/78/45/985607845.db2.gz QTYRUIOASWLIBS-JTQLQIEISA-N -1 3 415.368 3.934 20 0 HHADHM O=C(NCc1ncccc1[O-])N[C@@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F ZINC000468011902 985664244 /nfs/dbraw/zinc/66/42/44/985664244.db2.gz OHOKRVNFCKBEHS-ZDUSSCGKSA-N -1 3 409.286 3.789 20 0 HHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)NCc1ccc([O-])c(Br)c1 ZINC000443493288 985667310 /nfs/dbraw/zinc/66/73/10/985667310.db2.gz RECFBRQPZAFVMI-UHFFFAOYSA-N -1 3 414.252 3.827 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H]1CCc2c1cccc2OC ZINC000443496623 985670008 /nfs/dbraw/zinc/67/00/08/985670008.db2.gz BXVAYZAYBOQOLP-HNNXBMFYSA-N -1 3 417.508 3.662 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H]1COc2ccc(Cl)cc21 ZINC000443505770 985677586 /nfs/dbraw/zinc/67/75/86/985677586.db2.gz AHFTYDHXFQBVFK-ZDUSSCGKSA-N -1 3 423.899 3.753 20 0 HHADHM Cc1cc(S(=O)(=O)NCc2ccc([O-])c(Br)c2)c(Cl)cc1F ZINC000443509820 985681533 /nfs/dbraw/zinc/68/15/33/985681533.db2.gz OIEORMFEKGNZJB-UHFFFAOYSA-N -1 3 408.676 3.734 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc(Cl)c3ccccc32)c(C)o1 ZINC000462837095 985759076 /nfs/dbraw/zinc/75/90/76/985759076.db2.gz BKTFJKHTUMBIIN-LLVKDONJSA-N -1 3 406.891 3.794 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc(Cl)c3ccccc32)c(C)o1 ZINC000462837097 985759711 /nfs/dbraw/zinc/75/97/11/985759711.db2.gz BKTFJKHTUMBIIN-NSHDSACASA-N -1 3 406.891 3.794 20 0 HHADHM O=C1CN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)CCN1Cc1cccc(Cl)c1 ZINC000468111794 985774463 /nfs/dbraw/zinc/77/44/63/985774463.db2.gz XDBKJUYRIAXIRO-UHFFFAOYSA-N -1 3 422.872 3.579 20 0 HHADHM O=S(=O)([N-]Cc1ccc(COC2CCOCC2)cc1)c1ccc(Cl)cc1F ZINC000443758036 985970140 /nfs/dbraw/zinc/97/01/40/985970140.db2.gz MLCSUHKHBGHDOL-UHFFFAOYSA-N -1 3 413.898 3.653 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3cc(C)sn3)ccc2C)cc1 ZINC000443853954 986056913 /nfs/dbraw/zinc/05/69/13/986056913.db2.gz CJKAUQYYMFWFOB-UHFFFAOYSA-N -1 3 417.512 3.822 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3ccc(NC(=O)C4CC4)cc3)c2)n1 ZINC000463113953 986077795 /nfs/dbraw/zinc/07/77/95/986077795.db2.gz CRGBIRQNVVIVBC-UHFFFAOYSA-N -1 3 416.481 3.941 20 0 HHADHM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2nc(C)c(Br)s2)sc1C ZINC000443886501 986087014 /nfs/dbraw/zinc/08/70/14/986087014.db2.gz CRRNGYHBYKGEEM-UHFFFAOYSA-N -1 3 410.384 3.501 20 0 HHADHM COc1cccc(CN(C)C(=O)c2c[n-]c3ccc(Br)cc3c2=O)c1 ZINC000443917404 986120498 /nfs/dbraw/zinc/12/04/98/986120498.db2.gz DJZQSCPTTGGKQR-UHFFFAOYSA-N -1 3 401.260 3.571 20 0 HHADHM CCOC(=O)CSc1nnc([N-]C(=O)c2ccc(-c3ccc(CC)cc3)o2)s1 ZINC000463177207 986149542 /nfs/dbraw/zinc/14/95/42/986149542.db2.gz JLHIOGOEAUQYJN-UHFFFAOYSA-N -1 3 417.512 4.268 20 0 HHADHM COc1ccc(C2([N-]S(=O)(=O)c3c(F)cccc3Cl)CCOCC2)cc1F ZINC000443983646 986187770 /nfs/dbraw/zinc/18/77/70/986187770.db2.gz VSVVRFLJWCEVMA-UHFFFAOYSA-N -1 3 417.861 3.611 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@H](C)C(F)(F)F)ccc2C)cc1 ZINC000463243768 986211069 /nfs/dbraw/zinc/21/10/69/986211069.db2.gz SRPKPOOULLMJAW-LBPRGKRZSA-N -1 3 416.421 3.941 20 0 HHADHM O=C([N-]c1n[nH]c(-c2ccccc2Cl)n1)c1cn(-c2cccc(Cl)c2)nn1 ZINC000444031728 986227940 /nfs/dbraw/zinc/22/79/40/986227940.db2.gz NTBWQMLEHGNLDL-UHFFFAOYSA-N -1 3 400.229 3.612 20 0 HHADHM O=S(=O)([N-]c1cccc(CN2CCSCC2)c1)c1cc(F)cc(Cl)c1 ZINC000444043258 986241117 /nfs/dbraw/zinc/24/11/17/986241117.db2.gz MOGYCWBBFLFYOR-UHFFFAOYSA-N -1 3 400.928 3.829 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccc(OC3CCC3)cc2)cc1OC ZINC000463281498 986248689 /nfs/dbraw/zinc/24/86/89/986248689.db2.gz KVDIGDRSZBDHHO-UHFFFAOYSA-N -1 3 404.488 3.640 20 0 HHADHM C[C@H]1CN(C(=O)c2ccc(NC(=O)CCCc3ccc([O-])c(F)c3)cc2)C[C@H](C)O1 ZINC000468628674 986345795 /nfs/dbraw/zinc/34/57/95/986345795.db2.gz KKXRJBHAUCIOHL-HOTGVXAUSA-N -1 3 414.477 3.742 20 0 HHADHM CCSc1nnc([N-]C(=O)c2scc(C)c2I)s1 ZINC000468638135 986353572 /nfs/dbraw/zinc/35/35/72/986353572.db2.gz NJRYXFOJMDHYCO-UHFFFAOYSA-N -1 3 411.315 3.877 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)NCc1cccc(C(=O)NCc2ccco2)c1 ZINC000468642609 986357496 /nfs/dbraw/zinc/35/74/96/986357496.db2.gz SCUFZLNNXAWEMB-UHFFFAOYSA-N -1 3 410.445 3.693 20 0 HHADHM C[C@@H]1[C@H]([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2Cl)CCCN1C ZINC000444212967 986395333 /nfs/dbraw/zinc/39/53/33/986395333.db2.gz OJSPMGIQLGXCRR-PSASIEDQSA-N -1 3 416.168 3.517 20 0 HHADHM O=C([N-]c1nnc(-c2cccc(Cl)c2)s1)c1cn(Cc2cccs2)nn1 ZINC000463497698 986472807 /nfs/dbraw/zinc/47/28/07/986472807.db2.gz FHVHEJCXCCCYMC-UHFFFAOYSA-N -1 3 402.892 3.812 20 0 HHADHM COc1ccc(-c2nnc([N-]C(=O)c3cn(-c4cccc(Cl)c4)nn3)s2)cc1 ZINC000444289713 986477223 /nfs/dbraw/zinc/47/72/23/986477223.db2.gz NWQFTKHHKPISOZ-UHFFFAOYSA-N -1 3 412.862 3.700 20 0 HHADHM O=C(c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)N1CCC[C@@H]1[C@H]1CCCCC1=O ZINC000444302796 986487601 /nfs/dbraw/zinc/48/76/01/986487601.db2.gz KNQNAUATYGYZOT-IUODEOHRSA-N -1 3 422.403 3.791 20 0 HHADHM COc1ccc(C(=O)N2CCCC2)cc1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000468776042 986487695 /nfs/dbraw/zinc/48/76/95/986487695.db2.gz AYZHFXACNVZGRY-UHFFFAOYSA-N -1 3 400.450 3.737 20 0 HHADHM COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000468836326 986546263 /nfs/dbraw/zinc/54/62/63/986546263.db2.gz FSYGVPKKMSAXCM-MRXNPFEDSA-N -1 3 406.885 3.911 20 0 HHADHM C[C@H]1C[C@H](c2cccnc2)N(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)C1 ZINC000444373919 986550475 /nfs/dbraw/zinc/55/04/75/986550475.db2.gz WWGMATXNMRSQIX-KPZWWZAWSA-N -1 3 412.287 3.909 20 0 HHADHM CC(C)[C@@H]1CCCN(C(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000444384090 986558559 /nfs/dbraw/zinc/55/85/59/986558559.db2.gz RZKZMHXQDRLWOG-CYBMUJFWSA-N -1 3 407.363 3.556 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C2CCC(C(F)(F)F)CC2)cc1OC ZINC000468876604 986583229 /nfs/dbraw/zinc/58/32/29/986583229.db2.gz HREBOXVJFLJOJZ-UHFFFAOYSA-N -1 3 408.442 3.764 20 0 HHADHM C[C@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)c1cccc(O)c1 ZINC000444455957 986638438 /nfs/dbraw/zinc/63/84/38/986638438.db2.gz BGXWSPNGGONGBS-AWEZNQCLSA-N -1 3 414.458 3.823 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000468943617 986647747 /nfs/dbraw/zinc/64/77/47/986647747.db2.gz MQDOEDDQHKKXAY-UHFFFAOYSA-N -1 3 402.491 3.682 20 0 HHADHM Cc1ccc(CNC(=O)c2cc(Oc3ccccc3)ccc2[O-])cc1S(C)(=O)=O ZINC000444468610 986651398 /nfs/dbraw/zinc/65/13/98/986651398.db2.gz QZZBSNFBQPGYKM-UHFFFAOYSA-N -1 3 411.479 3.826 20 0 HHADHM CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000468982809 986688913 /nfs/dbraw/zinc/68/89/13/986688913.db2.gz MNPMUVFTQYUWHA-CQSZACIVSA-N -1 3 408.495 3.570 20 0 HHADHM O=C(Nc1nc(C2CCC2)cs1)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000444531089 986718394 /nfs/dbraw/zinc/71/83/94/986718394.db2.gz ISFGUZPDNXUUPH-UHFFFAOYSA-N -1 3 420.491 3.931 20 0 HHADHM CCc1ncc(S(=O)(=O)[N-][C@@H](C)c2ccc(Br)cc2OC)s1 ZINC000469063496 986776271 /nfs/dbraw/zinc/77/62/71/986776271.db2.gz WMLTZLBJIVXAAV-VIFPVBQESA-N -1 3 405.339 3.516 20 0 HHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CC[C@H](CC(F)(F)F)C3)nc(=O)c2c1C ZINC000444700811 986874876 /nfs/dbraw/zinc/87/48/76/986874876.db2.gz PEVBDDUQWQWUIG-WDEREUQCSA-N -1 3 417.453 3.805 20 0 HHADHM CCOC(=O)c1nc(C2CCN(C(=O)CCSc3ccc(Cl)cc3)CC2)n[n-]1 ZINC000444757522 986919375 /nfs/dbraw/zinc/91/93/75/986919375.db2.gz FNYCPRGHMVKKPX-UHFFFAOYSA-N -1 3 422.938 3.523 20 0 HHADHM CCOC(=O)c1nnc(C2CCN(C(=O)CCSc3ccc(Cl)cc3)CC2)[n-]1 ZINC000444757522 986919382 /nfs/dbraw/zinc/91/93/82/986919382.db2.gz FNYCPRGHMVKKPX-UHFFFAOYSA-N -1 3 422.938 3.523 20 0 HHADHM CCOC(=O)c1nc(C2CCN(C(=O)C3(c4cccc(C)c4)CCCCC3)CC2)n[n-]1 ZINC000444765193 986925871 /nfs/dbraw/zinc/92/58/71/986925871.db2.gz YOVPABGHJXNGHH-UHFFFAOYSA-N -1 3 424.545 3.898 20 0 HHADHM CCOC(=O)c1nnc(C2CCN(C(=O)C3(c4cccc(C)c4)CCCCC3)CC2)[n-]1 ZINC000444765193 986925881 /nfs/dbraw/zinc/92/58/81/986925881.db2.gz YOVPABGHJXNGHH-UHFFFAOYSA-N -1 3 424.545 3.898 20 0 HHADHM CC(C)CO[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)C1 ZINC000469311902 987024250 /nfs/dbraw/zinc/02/42/50/987024250.db2.gz NBBSPFIRIDYDER-QGZVFWFLSA-N -1 3 420.506 3.514 20 0 HHADHM CCOC(=O)c1nc(C2CCN(C(=O)N[C@H](CC)c3ccc(Cl)cc3)CC2)n[n-]1 ZINC000444870806 987025362 /nfs/dbraw/zinc/02/53/62/987025362.db2.gz FYNFQPUSMHGWJL-MRXNPFEDSA-N -1 3 419.913 3.675 20 0 HHADHM CCOC(=O)c1nnc(C2CCN(C(=O)N[C@H](CC)c3ccc(Cl)cc3)CC2)[n-]1 ZINC000444870806 987025376 /nfs/dbraw/zinc/02/53/76/987025376.db2.gz FYNFQPUSMHGWJL-MRXNPFEDSA-N -1 3 419.913 3.675 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC(C(=O)NCCc2cccs2)CC1 ZINC000469327882 987035869 /nfs/dbraw/zinc/03/58/69/987035869.db2.gz LLEPJHSIJWCHCO-UHFFFAOYSA-N -1 3 418.534 3.513 20 0 HHADHM CCOC(=O)c1nc(C2CCN(C(=O)Nc3cccc(CSCC)c3)CC2)n[n-]1 ZINC000444907286 987055662 /nfs/dbraw/zinc/05/56/62/987055662.db2.gz VVXTWXARDXKZES-UHFFFAOYSA-N -1 3 417.535 3.646 20 0 HHADHM CCOC(=O)c1nnc(C2CCN(C(=O)Nc3cccc(CSCC)c3)CC2)[n-]1 ZINC000444907286 987055671 /nfs/dbraw/zinc/05/56/71/987055671.db2.gz VVXTWXARDXKZES-UHFFFAOYSA-N -1 3 417.535 3.646 20 0 HHADHM Cc1ccc(NC(=O)CCCc2ccc([O-])c(F)c2)cc1S(=O)(=O)NC(C)(C)C ZINC000469376917 987072988 /nfs/dbraw/zinc/07/29/88/987072988.db2.gz KEHNWGVYZNIAKQ-UHFFFAOYSA-N -1 3 422.522 3.878 20 0 HHADHM CCC1(CC)CN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)CC[S@@]1=O ZINC000469444428 987130883 /nfs/dbraw/zinc/13/08/83/987130883.db2.gz LHKTYPWTFFGKSX-MHZLTWQESA-N -1 3 405.545 3.780 20 0 HHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(CN(C)C)c(Br)c1 ZINC000469481350 987163614 /nfs/dbraw/zinc/16/36/14/987163614.db2.gz GYGUYUALQAFAIV-UHFFFAOYSA-N -1 3 421.339 3.865 20 0 HHADHM Cc1cc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3cnc4ccccc4c3)n2)ccc1F ZINC000445042323 987171509 /nfs/dbraw/zinc/17/15/09/987171509.db2.gz QQXKBVSPPIYPHC-CYBMUJFWSA-N -1 3 412.446 3.772 20 0 HHADHM CC(C)CCOCCNC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000469619729 987281315 /nfs/dbraw/zinc/28/13/15/987281315.db2.gz FYEABYNFBGXIES-UHFFFAOYSA-N -1 3 415.715 3.737 20 0 HHADHM CCOc1ccccc1NC(=O)Cc1noc(-c2ccc3c(c2[O-])OC(C)(C)C3)n1 ZINC000445369312 987424790 /nfs/dbraw/zinc/42/47/90/987424790.db2.gz WZSZTPROQYDCHL-UHFFFAOYSA-N -1 3 409.442 3.736 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000469818183 987456358 /nfs/dbraw/zinc/45/63/58/987456358.db2.gz HIOKXNCVEJIBHD-HNNXBMFYSA-N -1 3 412.383 3.948 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000469818186 987456408 /nfs/dbraw/zinc/45/64/08/987456408.db2.gz HIOKXNCVEJIBHD-OAHLLOKOSA-N -1 3 412.383 3.948 20 0 HHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nc(Cc2ccc(F)c(F)c2)no1 ZINC000445447497 987517113 /nfs/dbraw/zinc/51/71/13/987517113.db2.gz SKKUWDQCLPXJGP-SNVBAGLBSA-N -1 3 413.833 3.632 20 0 HHADHM Cc1cc(NC(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)nn1-c1ccc(Cl)cc1Cl ZINC000469915516 987545060 /nfs/dbraw/zinc/54/50/60/987545060.db2.gz GVIWRSQGCCKMFS-HNNXBMFYSA-N -1 3 421.288 3.550 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(-c3nc(-c4cocn4)no3)ccc2C)cc1 ZINC000445559394 987619610 /nfs/dbraw/zinc/61/96/10/987619610.db2.gz CXNQMQTZSNCNSS-UHFFFAOYSA-N -1 3 412.427 3.509 20 0 HHADHM COc1ccc(NC(=O)[C@@]2(C)CCCO2)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000445655889 987727033 /nfs/dbraw/zinc/72/70/33/987727033.db2.gz JIFSYXJGSJYKKO-LJQANCHMSA-N -1 3 424.906 3.657 20 0 HHADHM CC(C)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000445699738 987766308 /nfs/dbraw/zinc/76/63/08/987766308.db2.gz NNXFETCSSIVFMU-LLVKDONJSA-N -1 3 416.259 3.639 20 0 HHADHM O=S(=O)([N-]CCOc1c(Cl)cc(Br)cc1Cl)c1ccco1 ZINC000445735265 987798888 /nfs/dbraw/zinc/79/88/88/987798888.db2.gz UGAVHJHPSMZLFN-UHFFFAOYSA-N -1 3 415.092 3.706 20 0 HHADHM O=C(NC1CCC2(CC2)CC1)c1c[n-]c2ccc(I)cc2c1=O ZINC000470067938 987964807 /nfs/dbraw/zinc/96/48/07/987964807.db2.gz AFAGJTWOGBGARB-UHFFFAOYSA-N -1 3 422.266 3.585 20 0 HHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CC[C@@H](C(F)(F)F)C1(C)C ZINC000470114453 988016225 /nfs/dbraw/zinc/01/62/25/988016225.db2.gz KYFUQGJQSOQGSF-OAHLLOKOSA-N -1 3 408.424 3.675 20 0 HHADHM Cc1nc(C)c(CCC(=O)N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)c(=O)[n-]1 ZINC000470250063 988193203 /nfs/dbraw/zinc/19/32/03/988193203.db2.gz FOUSYQJETHBVQH-CQSZACIVSA-N -1 3 410.301 3.718 20 0 HHADHM Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000464210438 988327776 /nfs/dbraw/zinc/32/77/76/988327776.db2.gz XLXITZJBHJSXOX-VIFPVBQESA-N -1 3 413.824 3.894 20 0 HHADHM COc1cc(Br)c(S(=O)(=O)[N-][C@@H](C)CC(F)(F)F)cc1Cl ZINC000464366130 988525538 /nfs/dbraw/zinc/52/55/38/988525538.db2.gz ZDJKPKBCQIYZKO-LURJTMIESA-N -1 3 410.639 3.730 20 0 HHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CC(=O)Nc1c(C)cccc1C ZINC000470552320 988564631 /nfs/dbraw/zinc/56/46/31/988564631.db2.gz UWYZIABKWWXQHG-UHFFFAOYSA-N -1 3 406.891 3.928 20 0 HHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3c(C)nn(C)c3Sc3ccccc3)nc21 ZINC000464402789 988569723 /nfs/dbraw/zinc/56/97/23/988569723.db2.gz TUWVZLYFBCPNBA-UHFFFAOYSA-N -1 3 421.482 3.795 20 0 HHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CCc1nc2c(cccc2F)n1C ZINC000470615419 988632359 /nfs/dbraw/zinc/63/23/59/988632359.db2.gz WBLXUTZDAUWFAR-UHFFFAOYSA-N -1 3 421.881 3.941 20 0 HHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H]1CCCn2nc(C(C)C)nc21 ZINC000470615310 988632625 /nfs/dbraw/zinc/63/26/25/988632625.db2.gz ZUKXHWDIMNEUCO-CQSZACIVSA-N -1 3 408.911 3.923 20 0 HHADHM C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)[C@H]1c1ccccc1 ZINC000464520652 988696795 /nfs/dbraw/zinc/69/67/95/988696795.db2.gz NONCBCUBRMPGCS-JLTOFOAXSA-N -1 3 413.474 3.788 20 0 HHADHM Cc1c(-c2cc(CSc3nnc([N-]c4ccccc4F)s3)on2)cnn1C ZINC000464548629 988726461 /nfs/dbraw/zinc/72/64/61/988726461.db2.gz KSPHUAWQGPUZRW-UHFFFAOYSA-N -1 3 402.480 4.410 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)Cc2c(C)oc3ccccc32)cc1OC ZINC000464651583 988837995 /nfs/dbraw/zinc/83/79/95/988837995.db2.gz SADGTXGCFGBVJI-UHFFFAOYSA-N -1 3 402.472 3.693 20 0 HHADHM COC(=O)c1coc(C(=O)[N-]c2ncc(Cl)cc2C(=O)Cc2cccc(F)c2)c1 ZINC000464715317 988929104 /nfs/dbraw/zinc/92/91/04/988929104.db2.gz XLBOWPOFTNLGRB-UHFFFAOYSA-N -1 3 416.792 3.931 20 0 HHADHM CC(C)Oc1ccc(-c2cccc([C@@H](C)N(C)C(=O)c3[nH]c(=O)[n-]c(=O)c3N)c2)cc1 ZINC000470879610 988949280 /nfs/dbraw/zinc/94/92/80/988949280.db2.gz JSNZJHQFUBOZEF-CQSZACIVSA-N -1 3 422.485 3.757 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NCc2ccc(C)cc2SC)cc1OC ZINC000464888235 989154577 /nfs/dbraw/zinc/15/45/77/989154577.db2.gz DTBKGZJQMKRVFD-UHFFFAOYSA-N -1 3 423.560 3.809 20 0 HHADHM Cn1ncc(CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)c1C(F)(F)F ZINC000464895726 989164898 /nfs/dbraw/zinc/16/48/98/989164898.db2.gz BUCDFASOUQFCRN-UHFFFAOYSA-N -1 3 406.393 3.566 20 0 HHADHM CC(C)(C)c1nnc([N-]C(=O)c2cc(F)c(F)cc2I)s1 ZINC000471198275 989336851 /nfs/dbraw/zinc/33/68/51/989336851.db2.gz DKDFZVVWCPXIOL-UHFFFAOYSA-N -1 3 423.226 3.971 20 0 HHADHM COc1ccccc1S(=O)(=O)[N-]c1ccc(Cl)cc1I ZINC000471204205 989344244 /nfs/dbraw/zinc/34/42/44/989344244.db2.gz OXCDFKNOMIAZDU-UHFFFAOYSA-N -1 3 423.659 3.754 20 0 HHADHM Cc1ccc(NC(=O)c2cnn(C(C)C)c2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000471252867 989398085 /nfs/dbraw/zinc/39/80/85/989398085.db2.gz UPUPTLMUFCPSRU-UHFFFAOYSA-N -1 3 416.478 3.965 20 0 HHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1 ZINC000471407830 989585229 /nfs/dbraw/zinc/58/52/29/989585229.db2.gz VPIOAXAZKCOGNH-UHFFFAOYSA-N -1 3 424.404 3.515 20 0 HHADHM Cc1c(F)cccc1NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000465279915 989637475 /nfs/dbraw/zinc/63/74/75/989637475.db2.gz CIJKUKYGHZQPRI-UHFFFAOYSA-N -1 3 405.278 3.748 20 0 HHADHM O=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)NCc1ncccc1[O-] ZINC000471522863 989722356 /nfs/dbraw/zinc/72/23/56/989722356.db2.gz YUBTVHLTQRLVRO-UHFFFAOYSA-N -1 3 413.481 3.698 20 0 HHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N[C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000471602552 989806135 /nfs/dbraw/zinc/80/61/35/989806135.db2.gz OKPPRCACEFKAED-GOSISDBHSA-N -1 3 406.829 3.530 20 0 HHADHM CCOc1cccc(C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)c1OC(F)F ZINC000465491885 989841077 /nfs/dbraw/zinc/84/10/77/989841077.db2.gz PUGKCZZGQVWALN-UHFFFAOYSA-N -1 3 411.348 3.583 20 0 HHADHM CCOC(=O)c1sc([C@H](C)[N-]S(=O)(=O)c2ccc(C)cc2Cl)nc1C ZINC000465503473 989853402 /nfs/dbraw/zinc/85/34/02/989853402.db2.gz CRRIWNTUMUEVBS-NSHDSACASA-N -1 3 402.925 3.630 20 0 HHADHM COc1ncc(C)cc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000471750619 989945030 /nfs/dbraw/zinc/94/50/30/989945030.db2.gz NWXGXDRENXQIPI-UHFFFAOYSA-N -1 3 415.446 3.591 20 0 HHADHM CCOC(=O)c1c(C)c(C(C)=O)sc1[N-]C(=O)c1cc(COC(C)(C)C)on1 ZINC000471762647 989953727 /nfs/dbraw/zinc/95/37/27/989953727.db2.gz SFJPXHLLLVKZKJ-UHFFFAOYSA-N -1 3 408.476 3.991 20 0 HHADHM COc1ccc(-c2nc3c(s2)[C@H](NC(=O)NCc2ncccc2[O-])CCC3)cc1 ZINC000471861393 990033879 /nfs/dbraw/zinc/03/38/79/990033879.db2.gz HFTLUDUWVFZUPZ-MRXNPFEDSA-N -1 3 410.499 3.796 20 0 HHADHM CCC(CC)CS(=O)(=O)[N-][C@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000471887784 990061230 /nfs/dbraw/zinc/06/12/30/990061230.db2.gz RJTIXJVUKYLQEO-LLVKDONJSA-N -1 3 416.341 3.916 20 0 HHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C2(Cc3ccccc3)CCC2)cc1Cl ZINC000471890224 990064447 /nfs/dbraw/zinc/06/44/47/990064447.db2.gz WWJDAQUIPMBEGQ-UHFFFAOYSA-N -1 3 410.898 3.881 20 0 HHADHM O=S(=O)([N-]c1ccccc1I)c1c[nH]c2cccc(F)c21 ZINC000471898385 990068718 /nfs/dbraw/zinc/06/87/18/990068718.db2.gz LFYXIRIKZZXAPN-UHFFFAOYSA-N -1 3 416.215 3.712 20 0 HHADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2Br)c(Cl)c1 ZINC000466251937 991492055 /nfs/dbraw/zinc/49/20/55/991492055.db2.gz HPAPXCUPAXJPNJ-UHFFFAOYSA-N -1 3 422.659 3.829 20 0 HHADHM O=C1Cc2cc(S(=O)(=O)[N-]c3cc(F)ccc3Br)c(Cl)cc2N1 ZINC000466276049 991521836 /nfs/dbraw/zinc/52/18/36/991521836.db2.gz ZVJACTCIEMCALQ-UHFFFAOYSA-N -1 3 419.659 3.537 20 0 HHADHM COc1ccccc1O[C@@H](C)CNC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000466306255 991559937 /nfs/dbraw/zinc/55/99/37/991559937.db2.gz GHVGVJAQBVWXBX-AWEZNQCLSA-N -1 3 408.458 3.755 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cnc4cnccc4c3)cc2)cc1 ZINC000466943993 992255184 /nfs/dbraw/zinc/25/51/84/992255184.db2.gz SNGLWEAHKMBVSM-UHFFFAOYSA-N -1 3 418.478 3.991 20 0 HHADHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(CN(C)C)c(Br)c1 ZINC000466963144 992273753 /nfs/dbraw/zinc/27/37/53/992273753.db2.gz IAKXOFVCNMLENT-UHFFFAOYSA-N -1 3 401.301 3.759 20 0 HHADHM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(OC[C@H]3CCOC3)c(F)c2)cc1 ZINC000466970561 992282572 /nfs/dbraw/zinc/28/25/72/992282572.db2.gz DZZITVMGCRXYFJ-HNNXBMFYSA-N -1 3 409.479 3.829 20 0 HHADHM CCn1c2ccc(S(=O)(=O)[N-][C@H](c3cccc(C)c3)C(F)(F)F)cc2oc1=O ZINC000467018061 992325828 /nfs/dbraw/zinc/32/58/28/992325828.db2.gz CVTVFPHLJFGDLT-MRXNPFEDSA-N -1 3 414.405 3.505 20 0 HHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCC(C)(C)C[C@H](C)O)c2)cc1 ZINC000467496246 992781540 /nfs/dbraw/zinc/78/15/40/992781540.db2.gz PZUZYWGTSMSLPA-KRWDZBQOSA-N -1 3 418.559 3.631 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3[C@@H](C)CC[C@@H]3C)c2)cc1 ZINC000467496699 992782156 /nfs/dbraw/zinc/78/21/56/992782156.db2.gz XVLLLOIRAFBIJS-HOTGVXAUSA-N -1 3 402.516 3.817 20 0 HHADHM O=S(=O)([N-]CCc1ccccc1OC(F)F)c1ccc(Br)s1 ZINC000472202051 993237860 /nfs/dbraw/zinc/23/78/60/993237860.db2.gz XMWUDXPRTYFUSY-UHFFFAOYSA-N -1 3 412.277 3.633 20 0 HHADHM COC(=O)c1sc2[n-]c(CN3CC[C@@H](C)[C@H]3c3cccc(F)c3)nc(=O)c2c1C ZINC000472320974 993331927 /nfs/dbraw/zinc/33/19/27/993331927.db2.gz PJIRRRGUBVUWBI-DIFFPNOSSA-N -1 3 415.490 3.802 20 0 HHADHM CCc1c(C(=O)Nc2nc3c(cccc3C(=O)OC)[n-]2)cnn1-c1ccccc1C ZINC000472371783 993368952 /nfs/dbraw/zinc/36/89/52/993368952.db2.gz XSZCHOQVCARYAP-UHFFFAOYSA-N -1 3 403.442 3.658 20 0 HHADHM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(CC(F)(F)F)cc1)c1cc(C)cc(C)c1 ZINC000480721942 993589701 /nfs/dbraw/zinc/58/97/01/993589701.db2.gz OKNPUNPVTCIZBB-QGZVFWFLSA-N -1 3 415.433 3.601 20 0 HHADHM O=S(=O)(NCc1ncccc1[O-])c1ccc(-c2ccc(Br)cc2)cc1 ZINC000480724242 993592428 /nfs/dbraw/zinc/59/24/28/993592428.db2.gz GMJFEDZMPURCCV-UHFFFAOYSA-N -1 3 419.300 3.695 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1cccc(COCCc2ccccc2)c1 ZINC000480823485 993700645 /nfs/dbraw/zinc/70/06/45/993700645.db2.gz SZJDATPZOOREAO-UHFFFAOYSA-N -1 3 419.407 3.905 20 0 HHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCc3cn(C(C)C)nc3C2)c1Cl ZINC000480838557 993713292 /nfs/dbraw/zinc/71/32/92/993713292.db2.gz MXUSPPKCANMSPE-CYBMUJFWSA-N -1 3 402.347 3.915 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](CO)c3ccccc3OC(F)(F)F)nc2)n1 ZINC000480856868 993729654 /nfs/dbraw/zinc/72/96/54/993729654.db2.gz ZQINMDFOYGPJCJ-HNNXBMFYSA-N -1 3 420.391 3.851 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N(Cc1c(F)cccc1F)C1CC1 ZINC000481100935 993938580 /nfs/dbraw/zinc/93/85/80/993938580.db2.gz DYDMPXBKMXOREK-UHFFFAOYSA-N -1 3 424.451 3.542 20 0 HHADHM Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C ZINC000481217984 994050524 /nfs/dbraw/zinc/05/05/24/994050524.db2.gz GZVSHDMJZJTNSE-YJBOKZPZSA-N -1 3 423.922 3.553 20 0 HHADHM O=c1nc(CN2CCSC3(CCOCC3)C2)[n-]c2scc(-c3ccco3)c21 ZINC000473194824 994059005 /nfs/dbraw/zinc/05/90/05/994059005.db2.gz JWXNQHFQHVNZLE-UHFFFAOYSA-N -1 3 403.529 3.755 20 0 HHADHM Cc1cc(S(=O)(=O)[N-][C@@H](CO)c2ccccc2OC(F)(F)F)sc1Cl ZINC000481260504 994081547 /nfs/dbraw/zinc/08/15/47/994081547.db2.gz RIIULIQWLJAMBC-JTQLQIEISA-N -1 3 415.842 3.620 20 0 HHADHM C[C@H](Cc1ccc(F)c(Br)c1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000481279240 994095419 /nfs/dbraw/zinc/09/54/19/994095419.db2.gz VFZKIVHNOMGYPZ-SNVBAGLBSA-N -1 3 404.243 3.586 20 0 HHADHM C[C@H](Cc1ccc(F)c(Br)c1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000481279240 994095427 /nfs/dbraw/zinc/09/54/27/994095427.db2.gz VFZKIVHNOMGYPZ-SNVBAGLBSA-N -1 3 404.243 3.586 20 0 HHADHM O=C(c1c[n-]c2ccc(I)cc2c1=O)N1CCCC2(CCC2)C1 ZINC000473325050 994187718 /nfs/dbraw/zinc/18/77/18/994187718.db2.gz IVVIHEWZJFUBDW-UHFFFAOYSA-N -1 3 422.266 3.539 20 0 HHADHM COC(=O)CCCCC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000473361960 994222617 /nfs/dbraw/zinc/22/26/17/994222617.db2.gz MAQIWIFZTCLIRT-UHFFFAOYSA-N -1 3 422.478 3.607 20 0 HHADHM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2C)c1 ZINC000473402526 994257026 /nfs/dbraw/zinc/25/70/26/994257026.db2.gz RQWGFNLOCXRHIQ-UHFFFAOYSA-N -1 3 402.516 3.881 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccc(OC)cc2OC(C)C)cc1OC ZINC000473415507 994268258 /nfs/dbraw/zinc/26/82/58/994268258.db2.gz PMNJWNRJMRBZCN-UHFFFAOYSA-N -1 3 422.503 3.505 20 0 HHADHM COC(=O)[C@@H](C)[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1ccccc1 ZINC000481448697 994284905 /nfs/dbraw/zinc/28/49/05/994284905.db2.gz VIEKTWGSZUCPGN-XHDPSFHLSA-N -1 3 402.299 3.822 20 0 HHADHM COc1ccc(Cl)cc1CS(=O)(=O)[N-][C@H](CO)c1c(Cl)cccc1Cl ZINC000481474109 994307848 /nfs/dbraw/zinc/30/78/48/994307848.db2.gz BGJAGJWIQWZJEU-CQSZACIVSA-N -1 3 424.733 3.808 20 0 HHADHM CCOC(=O)c1oc2ccc(S(=O)(=O)[N-]c3cc(OC)ccc3F)cc2c1C ZINC000473483457 994326784 /nfs/dbraw/zinc/32/67/84/994326784.db2.gz NQZRQFPCOUGIHD-UHFFFAOYSA-N -1 3 407.419 3.866 20 0 HHADHM C[C@H](Oc1cccnc1NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccccc1 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HHADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1cccc(N2CCCCC2=O)c1 ZINC000483013080 995919139 /nfs/dbraw/zinc/91/91/39/995919139.db2.gz FPZAKGIXIZZFMY-UHFFFAOYSA-N -1 3 418.291 3.993 20 0 HHADHM Cc1nc(CC(C)C)oc1C(=O)[N-]c1ncn(Cc2ccc(Br)cc2)n1 ZINC000475260792 996030517 /nfs/dbraw/zinc/03/05/17/996030517.db2.gz RACUIJOAFADHSW-UHFFFAOYSA-N -1 3 418.295 3.836 20 0 HHADHM O=S(=O)([N-]Cc1coc(-c2cccs2)n1)c1ccc(Br)cc1F ZINC000475550997 996215087 /nfs/dbraw/zinc/21/50/87/996215087.db2.gz VOBSYJBKYGXEJK-UHFFFAOYSA-N -1 3 417.281 3.783 20 0 HHADHM Cc1cc(F)c(S(=O)(=O)[N-]C(C)(C)c2nc(C(F)(F)F)cs2)cc1F ZINC000475762306 996355219 /nfs/dbraw/zinc/35/52/19/996355219.db2.gz YUOJHILIVOADIC-UHFFFAOYSA-N -1 3 400.394 3.962 20 0 HHADHM Cc1c([N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)cccc1NC(=O)N(C)C ZINC000475825176 996394885 /nfs/dbraw/zinc/39/48/85/996394885.db2.gz AFVMDBRVFZMHDK-UHFFFAOYSA-N -1 3 405.520 3.924 20 0 HHADHM CC(C)(C)OC(=O)CCc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)c1 ZINC000475832695 996400651 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COc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccn3)c(F)c2)cc1C ZINC000476400591 996858698 /nfs/dbraw/zinc/85/86/98/996858698.db2.gz WIGVROXRFCNDLV-UHFFFAOYSA-N -1 3 402.447 3.918 20 0 HHADHM C[C@@H](CC(=O)c1ccccc1)[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000476404903 996862961 /nfs/dbraw/zinc/86/29/61/996862961.db2.gz ZMDUZAPDBZWPFW-NSHDSACASA-N -1 3 400.269 3.528 20 0 HHADHM CCc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccc4ncsc4c3)n2)cc1 ZINC000476425180 996893043 /nfs/dbraw/zinc/89/30/43/996893043.db2.gz TYVACQVDRRQOPT-LBPRGKRZSA-N -1 3 414.512 3.948 20 0 HHADHM COC(=O)c1cnc(SCC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)[n-]1 ZINC000484565953 996899214 /nfs/dbraw/zinc/89/92/14/996899214.db2.gz SLFFMSKAHZZGRD-UHFFFAOYSA-N -1 3 405.863 3.518 20 0 HHADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCCC[C@@H]3O)cc2)cc1 ZINC000484611329 996943204 /nfs/dbraw/zinc/94/32/04/996943204.db2.gz CBKUSAFTCFXWBP-LEWJYISDSA-N -1 3 405.516 3.959 20 0 HHADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]C1(Cc2ccccc2)CC1 ZINC000476534347 997024226 /nfs/dbraw/zinc/02/42/26/997024226.db2.gz FTLGYVOGUUQWGA-UHFFFAOYSA-N -1 3 414.296 3.650 20 0 HHADHM COc1cc(Br)c(S(=O)(=O)[N-]C[C@@H](C)C(F)(F)F)cc1Cl ZINC000476572388 997069761 /nfs/dbraw/zinc/06/97/61/997069761.db2.gz PTESNVQSBABXRZ-ZCFIWIBFSA-N -1 3 410.639 3.588 20 0 HHADHM CCOC[C@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C)C(C)C ZINC000476596545 997101444 /nfs/dbraw/zinc/10/14/44/997101444.db2.gz GGQAOBYWMGDQGY-NRFANRHFSA-N -1 3 418.559 3.895 20 0 HHADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2c2ccccc2)s1 ZINC000484786318 997134632 /nfs/dbraw/zinc/13/46/32/997134632.db2.gz GRBUKJZJOFDODV-LSDHHAIUSA-N -1 3 409.529 3.548 20 0 HHADHM C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000484803782 997156843 /nfs/dbraw/zinc/15/68/43/997156843.db2.gz FSSCPKXOOWAUSS-AWEZNQCLSA-N -1 3 400.442 3.663 20 0 HHADHM C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000484803782 997156850 /nfs/dbraw/zinc/15/68/50/997156850.db2.gz FSSCPKXOOWAUSS-AWEZNQCLSA-N -1 3 400.442 3.663 20 0 HHADHM O=C(NCc1ccc([O-])c(F)c1)C(=O)Nc1ccccc1-c1cc(F)c(F)c(F)c1 ZINC000476717413 997262536 /nfs/dbraw/zinc/26/25/36/997262536.db2.gz ALXQFNRSZHNGNI-UHFFFAOYSA-N -1 3 418.346 3.871 20 0 HHADHM Cc1cc(C)n(-c2ccc(Cl)c(C(=O)[N-]c3nnc(CC(F)(F)F)s3)n2)n1 ZINC000484980817 997345179 /nfs/dbraw/zinc/34/51/79/997345179.db2.gz OPXYMTIZDUNQMU-UHFFFAOYSA-N -1 3 416.816 3.746 20 0 HHADHM COc1ccc(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)cc1-c1ccn(C)n1 ZINC000485102467 997480970 /nfs/dbraw/zinc/48/09/70/997480970.db2.gz FYRAPQXTVVMITC-UHFFFAOYSA-N -1 3 414.425 3.879 20 0 HHADHM COc1ccc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)cc1-c1ccn(C)n1 ZINC000485102467 997480973 /nfs/dbraw/zinc/48/09/73/997480973.db2.gz FYRAPQXTVVMITC-UHFFFAOYSA-N -1 3 414.425 3.879 20 0 HHADHM Cc1ccc2c(c1C)OC[C@@H]2[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000476897516 997501543 /nfs/dbraw/zinc/50/15/43/997501543.db2.gz MKPFJAQTNAFQQM-AWEZNQCLSA-N -1 3 400.269 3.617 20 0 HHADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000485123967 997507631 /nfs/dbraw/zinc/50/76/31/997507631.db2.gz WACFNJBBJILNKE-KRWDZBQOSA-N -1 3 417.425 3.588 20 0 HHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000485123967 997507643 /nfs/dbraw/zinc/50/76/43/997507643.db2.gz WACFNJBBJILNKE-KRWDZBQOSA-N -1 3 417.425 3.588 20 0 HHADHM Cc1ccc(CN2CCSCC2)cc1[N-]S(=O)(=O)c1ccc2ncccc2c1 ZINC000476917678 997527369 /nfs/dbraw/zinc/52/73/69/997527369.db2.gz BOMOPQMMIULTDA-UHFFFAOYSA-N -1 3 413.568 3.893 20 0 HHADHM COC(=O)c1c(F)ccc([N-]C(=O)c2cc(OC)c(Br)s2)c1F ZINC000485163738 997545897 /nfs/dbraw/zinc/54/58/97/997545897.db2.gz AEHSJJWEENCWAB-UHFFFAOYSA-N -1 3 406.204 3.836 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3cscn3)ccc2C)cc1 ZINC000485196214 997572870 /nfs/dbraw/zinc/57/28/70/997572870.db2.gz XSXVKFBBUQXVLD-UHFFFAOYSA-N -1 3 417.512 3.903 20 0 HHADHM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccc(CCC(=O)N2CCCC2)cc1 ZINC000485403075 997834141 /nfs/dbraw/zinc/83/41/41/997834141.db2.gz WEQOJSLBJZFOBZ-UHFFFAOYSA-N -1 3 404.507 3.798 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C[C@H](O)CC(C)(C)C)cc2)cc1 ZINC000485423574 997859791 /nfs/dbraw/zinc/85/97/91/997859791.db2.gz TVLIEHHVIDHZLV-SFHVURJKSA-N -1 3 404.532 3.922 20 0 HHADHM O=C(c1cc2ccccc2n1Cc1ccccc1F)N1CCc2nc[n-]c(=O)c2C1 ZINC000477216641 997888925 /nfs/dbraw/zinc/88/89/25/997888925.db2.gz ODYNPHVVOOTPIV-UHFFFAOYSA-N -1 3 402.429 3.523 20 0 HHADHM O=C(NCc1ccc(OC(F)F)cc1)NCc1ccc([O-])c(Br)c1 ZINC000485462172 997906866 /nfs/dbraw/zinc/90/68/66/997906866.db2.gz IERWDNPJKJLLBE-UHFFFAOYSA-N -1 3 401.207 3.756 20 0 HHADHM Cc1nc(C)c(CC(=O)N[C@H](C)c2ccc(OCc3ccc(F)cc3)cc2)c(=O)[n-]1 ZINC000485511120 997966929 /nfs/dbraw/zinc/96/69/29/997966929.db2.gz ZFCJYRJGUJBJQS-CQSZACIVSA-N -1 3 409.461 3.937 20 0 HHADHM COc1cccc2c1CCN(C(=O)Nc1ccc(-c3cc(=O)[n-]c(C)n3)cc1)CC2 ZINC000485518979 997975876 /nfs/dbraw/zinc/97/58/76/997975876.db2.gz WNHSRCJQUMQFAP-UHFFFAOYSA-N -1 3 404.470 3.799 20 0 HHADHM CCc1cc(=O)[n-]c(CS[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)n1 ZINC000477350133 998038119 /nfs/dbraw/zinc/03/81/19/998038119.db2.gz BMAFCUFSOXJHEZ-AWEZNQCLSA-N -1 3 413.421 3.682 20 0 HHADHM CCc1cc(=O)[n-]c(CS[C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)n1 ZINC000477361325 998050220 /nfs/dbraw/zinc/05/02/20/998050220.db2.gz ZHGRZIBXIFXHFW-GFCCVEGCSA-N -1 3 424.364 3.787 20 0 HHADHM CCCCc1nc(NC(=O)Cc2coc(-c3cccs3)n2)c(C(=O)OCC)[n-]1 ZINC000485666863 998121411 /nfs/dbraw/zinc/12/14/11/998121411.db2.gz JBAHQYDGUXGRKK-UHFFFAOYSA-N -1 3 402.476 3.827 20 0 HHADHM CCCCc1nc(NC(=O)c2cnc(Oc3ccccc3)cn2)c(C(=O)OCC)[n-]1 ZINC000485673937 998131440 /nfs/dbraw/zinc/13/14/40/998131440.db2.gz QVOASMNOXYELPB-UHFFFAOYSA-N -1 3 409.446 3.764 20 0 HHADHM COC(=O)c1sc2[n-]c(CN[C@@H](C)c3ccc4ncsc4c3)nc(=O)c2c1C ZINC000485834696 998300862 /nfs/dbraw/zinc/30/08/62/998300862.db2.gz XYBRKWIOXSJNFC-JTQLQIEISA-N -1 3 414.512 3.540 20 0 HHADHM CC(C)(C)OCc1cc(C[N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)no1 ZINC000485953698 998395916 /nfs/dbraw/zinc/39/59/16/998395916.db2.gz DVKGKCPCQVDFBI-UHFFFAOYSA-N -1 3 407.319 3.916 20 0 HHADHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1nc(Cc2cccc(Br)c2)no1 ZINC000477827663 998582925 /nfs/dbraw/zinc/58/29/25/998582925.db2.gz GLRYKJSWHZOGMC-IMJJTQAJSA-N -1 3 420.307 3.641 20 0 HHADHM CO[C@@]1(C)CCCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)CC1 ZINC000477858895 998610781 /nfs/dbraw/zinc/61/07/81/998610781.db2.gz NFYIQZLFLVCDNB-NRFANRHFSA-N -1 3 420.506 3.658 20 0 HHADHM CC(C)N(C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1CCCC1 ZINC000486193392 998634269 /nfs/dbraw/zinc/63/42/69/998634269.db2.gz HJMHMNSVTMFAPC-UHFFFAOYSA-N -1 3 407.363 3.841 20 0 HHADHM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2cc(F)cc(Br)c2F)c1 ZINC000486549114 998819997 /nfs/dbraw/zinc/81/99/97/998819997.db2.gz LICKVAOXWNHTDZ-UHFFFAOYSA-N -1 3 420.231 3.705 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)[C@H](C)C3CC3)ccc2C)cc1 ZINC000478208901 998823584 /nfs/dbraw/zinc/82/35/84/998823584.db2.gz MDSCCBGZGLEUSE-OAHLLOKOSA-N -1 3 402.516 3.675 20 0 HHADHM CC[C@@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2cc(Br)ccc2Cl)n[nH]1 ZINC000486613483 998857237 /nfs/dbraw/zinc/85/72/37/998857237.db2.gz YYWDTXYZHSHKOM-RKDXNWHRSA-N -1 3 421.748 3.774 20 0 HHADHM CC[C@@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2cc(Br)ccc2Cl)n[nH]1 ZINC000486613480 998857325 /nfs/dbraw/zinc/85/73/25/998857325.db2.gz YYWDTXYZHSHKOM-BDAKNGLRSA-N -1 3 421.748 3.774 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)N(CCO)[C@H]1CCCc2ccccc21 ZINC000486647456 998874424 /nfs/dbraw/zinc/87/44/24/998874424.db2.gz AQMRWMKICONLCH-SFHVURJKSA-N -1 3 419.319 3.736 20 0 HHADHM O=S(=O)([N-][C@H]1CCOC2(CCCCC2)C1)c1cc(Br)ccc1F ZINC000486712678 998904240 /nfs/dbraw/zinc/90/42/40/998904240.db2.gz UYTOKDRSRKFMTO-ZDUSSCGKSA-N -1 3 406.317 3.748 20 0 HHADHM Cn1c(CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)nc2ccc(F)cc21 ZINC000487068285 999053506 /nfs/dbraw/zinc/05/35/06/999053506.db2.gz IBWWZRFUXBFVQT-UHFFFAOYSA-N -1 3 402.278 3.540 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CS(=O)(=O)C(C)(C)C)c2)c(C)c1 ZINC000487271210 999119939 /nfs/dbraw/zinc/11/99/39/999119939.db2.gz RAFATWPAVNDVHY-UHFFFAOYSA-N 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ZINC000479036186 999258615 /nfs/dbraw/zinc/25/86/15/999258615.db2.gz SKSSLKCSXYDDKY-NSHDSACASA-N -1 3 407.239 3.819 20 0 HHADHM Cc1ccc([N-]S(=O)(=O)c2cc3c(cc2C)OCO3)cc1NC(=O)C(C)(C)C ZINC000479259601 999351569 /nfs/dbraw/zinc/35/15/69/999351569.db2.gz FDTVIYFARAYUOG-UHFFFAOYSA-N -1 3 404.488 3.818 20 0 HHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(Br)ccc2Cl)cs1 ZINC000479278513 999361419 /nfs/dbraw/zinc/36/14/19/999361419.db2.gz IPRWCDOJTRKRAK-UHFFFAOYSA-N -1 3 410.698 3.751 20 0 HHADHM COc1cccc([C@@H](C)N=c2cc(N[C@@H](C)c3cccc(OC)c3)n3[n-]cnc3n2)c1 ZINC000479365223 999405636 /nfs/dbraw/zinc/40/56/36/999405636.db2.gz NLMPPUCWPFXLQG-CVEARBPZSA-N -1 3 418.501 3.910 20 0 HHADHM C[C@H](CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)C(F)(F)F ZINC000479367412 999406277 /nfs/dbraw/zinc/40/62/77/999406277.db2.gz ONMZVWKIYMABOO-LLVKDONJSA-N -1 3 404.385 3.555 20 0 HHADHM Cc1ccc(NC(=O)C2(CNC(=O)CCc3c(C)nc(C)[n-]c3=O)CCCC2)cc1C ZINC000488273127 999419341 /nfs/dbraw/zinc/41/93/41/999419341.db2.gz DDEKVPCPEXFVCA-UHFFFAOYSA-N -1 3 424.545 3.664 20 0 HHADHM Cc1ccc(-c2nc(NC(=O)C[C@H](NC(=O)c3ccccc3)c3ccccc3)n[n-]2)o1 ZINC000479476880 999433697 /nfs/dbraw/zinc/43/36/97/999433697.db2.gz KDSDMEVEHWMMKR-SFHVURJKSA-N -1 3 415.453 3.873 20 0 HHADHM COc1cc(C(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)cc(OC)c1[O-] ZINC000488379406 999465916 /nfs/dbraw/zinc/46/59/16/999465916.db2.gz YQGZMLWUKXZKAZ-MRXNPFEDSA-N -1 3 422.884 3.596 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cc(I)ccc2C)cc1C ZINC000479548353 999471805 /nfs/dbraw/zinc/47/18/05/999471805.db2.gz DAMRVBYLBVSXAT-UHFFFAOYSA-N -1 3 417.268 3.717 20 0 HHADHM CC[C@@H](C)[C@@H](OC)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000479567052 999481093 /nfs/dbraw/zinc/48/10/93/999481093.db2.gz OYGPKQQVNAEWOD-BFUOFWGJSA-N -1 3 408.495 3.935 20 0 HHADHM Cc1ccc(NC(=O)C[C@@H]2CCC(=O)[C@@H]2C)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000479568490 999482077 /nfs/dbraw/zinc/48/20/77/999482077.db2.gz TUROYADRRSGLOP-CABCVRRESA-N -1 3 418.490 3.879 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)Cc2coc3cc(F)ccc23)cc1OC ZINC000479579840 999488031 /nfs/dbraw/zinc/48/80/31/999488031.db2.gz VAGNKBFNJXKJKA-UHFFFAOYSA-N -1 3 406.435 3.523 20 0 HHADHM Cc1cc(=O)[n-]c([C@H](C)Sc2nnc(N3CCC[C@H](C)C3)n2Cc2ccco2)n1 ZINC000488598159 999541034 /nfs/dbraw/zinc/54/10/34/999541034.db2.gz GLCJUQJOPNCXPC-ZFWWWQNUSA-N -1 3 414.535 3.813 20 0 HHADHM Cc1nn(-c2ccccc2)c(C)c1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000488661345 999562658 /nfs/dbraw/zinc/56/26/58/999562658.db2.gz VKRDJZBEKZGXGV-UHFFFAOYSA-N -1 3 400.276 3.887 20 0 HHADHM C[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)N1CCc2ccccc21 ZINC000488667096 999564806 /nfs/dbraw/zinc/56/48/06/999564806.db2.gz DCKZGILFJYSFJV-GFCCVEGCSA-N -1 3 402.413 3.574 20 0 HHADHM CCc1noc(-c2ccc(CC[N-]S(=O)(=O)c3cc(F)ccc3Cl)cc2)n1 ZINC000488669346 999565631 /nfs/dbraw/zinc/56/56/31/999565631.db2.gz IZTNRKOERDMANM-UHFFFAOYSA-N -1 3 409.870 3.613 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccc(F)cc1Br ZINC000488671153 999566267 /nfs/dbraw/zinc/56/62/67/999566267.db2.gz HOODKADDGGAFMH-UHFFFAOYSA-N -1 3 403.045 3.986 20 0 HHADHM O=C(COc1ccc(Br)cc1)NCc1ccc([O-])c(Br)c1 ZINC000488671148 999566413 /nfs/dbraw/zinc/56/64/13/999566413.db2.gz FOZYKRGPWXQXGT-UHFFFAOYSA-N -1 3 415.081 3.612 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)c1nn(-c2ccccc2)c2c1CCC2 ZINC000488678260 999569094 /nfs/dbraw/zinc/56/90/94/999569094.db2.gz NZLIZWBTZPRINB-UHFFFAOYSA-N -1 3 412.287 3.759 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)c1cccc(COC2CCOCC2)c1 ZINC000488678453 999569110 /nfs/dbraw/zinc/56/91/10/999569110.db2.gz RTKYDCQBWMMMHU-UHFFFAOYSA-N -1 3 420.303 3.780 20 0 HHADHM CC1CCN(c2ccc(C(=O)NCc3ccc([O-])c(Br)c3)cn2)CC1 ZINC000488679191 999569275 /nfs/dbraw/zinc/56/92/75/999569275.db2.gz XBDSJKLXCBRBGU-UHFFFAOYSA-N -1 3 404.308 3.716 20 0 HHADHM O=C(CCC(=O)NCc1ccc([O-])c(Br)c1)CCC(=O)c1cccs1 ZINC000488680779 999569659 /nfs/dbraw/zinc/56/96/59/999569659.db2.gz RUPQICKOIDDMKD-UHFFFAOYSA-N -1 3 424.316 3.845 20 0 HHADHM 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/nfs/dbraw/zinc/50/31/51/1010503151.db2.gz RUDHYLYGAGPDLV-GOSISDBHSA-N -1 3 419.319 3.730 20 0 HHADHM O=C([N-]c1n[nH]c(-c2ccccc2Br)n1)c1cc2nccnc2cc1F ZINC000548094725 1010528755 /nfs/dbraw/zinc/52/87/55/1010528755.db2.gz SRMLMNLJCQDGIM-UHFFFAOYSA-N -1 3 413.210 3.569 20 0 HHADHM Cc1cc(N(C)C)ccc1-c1noc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000544995187 1010542204 /nfs/dbraw/zinc/54/22/04/1010542204.db2.gz QKBSGOKHJDHCQD-CYBMUJFWSA-N -1 3 420.922 3.804 20 0 HHADHM COCc1nc(C(=O)[N-]c2sc3c(c2C(=O)c2ccc(F)cc2)CCC3)co1 ZINC000548192348 1010558196 /nfs/dbraw/zinc/55/81/96/1010558196.db2.gz LNESWMSJOSKDAV-UHFFFAOYSA-N -1 3 400.431 3.994 20 0 HHADHM C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)Nc2cccc([O-])c2F)cc1 ZINC000551487220 1010617435 /nfs/dbraw/zinc/61/74/35/1010617435.db2.gz MVLABKIJUWDYKH-GJZGRUSLSA-N -1 3 400.450 3.952 20 0 HHADHM COc1cc(C(=O)NC(C)(C)COc2ncc(Cl)cc2Cl)cc(OC)c1[O-] ZINC000545136701 1010639833 /nfs/dbraw/zinc/63/98/33/1010639833.db2.gz GETQPPJHXODXBQ-UHFFFAOYSA-N -1 3 415.273 3.699 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2nc(-c3cccs3)c[nH]2)s1 ZINC000551553828 1010657479 /nfs/dbraw/zinc/65/74/79/1010657479.db2.gz PXCPLWDKXFLEMW-UHFFFAOYSA-N -1 3 418.363 3.749 20 0 HHADHM CCc1cccc(CC)c1[N-]S(=O)(=O)c1c(C)cc(C)c(NS(C)(=O)=O)c1C ZINC000545187232 1010676404 /nfs/dbraw/zinc/67/64/04/1010676404.db2.gz JERQIRRXOVICOY-UHFFFAOYSA-N -1 3 424.588 3.909 20 0 HHADHM COc1ccc(NC(=O)c2cc[nH]c2)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000521870209 1010676497 /nfs/dbraw/zinc/67/64/97/1010676497.db2.gz SVUVHYLIGVOPHH-UHFFFAOYSA-N -1 3 405.863 3.730 20 0 HHADHM CS(=O)(=O)[N-]c1cncc(C(=O)N[C@@H]2CCCCC[C@H]2c2ccc(Cl)cc2)c1 ZINC000551663218 1010728308 /nfs/dbraw/zinc/72/83/08/1010728308.db2.gz SWOMXIMJOAUCHY-RBUKOAKNSA-N -1 3 421.950 3.953 20 0 HHADHM O=C([N-]c1nnc(C2CC2)s1)c1cnn(-c2ncccc2Cl)c1C(F)(F)F ZINC000548843675 1010743134 /nfs/dbraw/zinc/74/31/34/1010743134.db2.gz KSKWJSQHCNDRKY-UHFFFAOYSA-N -1 3 414.800 3.921 20 0 HHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc(F)ccc1Sc1ccc(Cl)cc1 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423.922 3.994 20 0 HHADHM CCc1cc(=O)c2cc([N-]S(=O)(=O)c3cc4c(c(Cl)c3)O[C@@H](C)C4)ccc2[nH]1 ZINC000540695556 1011348073 /nfs/dbraw/zinc/34/80/73/1011348073.db2.gz YVORINGITVLZEY-NSHDSACASA-N -1 3 418.902 3.868 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OCC3CCOCC3)cc2)cc1Cl ZINC000522956941 1011403142 /nfs/dbraw/zinc/40/31/42/1011403142.db2.gz PCHFMZFUMWPUGJ-UHFFFAOYSA-N -1 3 411.907 3.955 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@@H](Cc2ccccc2)C2CC2)cc1OC ZINC000523013165 1011474518 /nfs/dbraw/zinc/47/45/18/1011474518.db2.gz JLVZILJKEFOGEP-IBGZPJMESA-N -1 3 417.531 3.600 20 0 HHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc(Br)cc3F)cc2)n1 ZINC000523036445 1011505890 /nfs/dbraw/zinc/50/58/90/1011505890.db2.gz YWWYSHTYVIJLEI-UHFFFAOYSA-N -1 3 402.223 3.899 20 0 HHADHM O=S(=O)([N-]C1(c2ccc(F)cc2F)CCOCC1)c1cccc(Cl)c1F ZINC000536329808 1011528871 /nfs/dbraw/zinc/52/88/71/1011528871.db2.gz XCBSYKTVEPXGTD-UHFFFAOYSA-N -1 3 405.825 3.742 20 0 HHADHM CCc1csc(-n2cc(C(=O)Nc3cccc(-c4nc(CC)cc(=O)[n-]4)c3)cn2)n1 ZINC000536498633 1011705041 /nfs/dbraw/zinc/70/50/41/1011705041.db2.gz VQUUCKLQUJEPFR-UHFFFAOYSA-N -1 3 420.498 3.869 20 0 HHADHM CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000536553919 1011726613 /nfs/dbraw/zinc/72/66/13/1011726613.db2.gz AUSQOTLVIJFUKK-GTNSWQLSSA-N -1 3 411.271 3.869 20 0 HHADHM COC(=O)[C@@H]([N-]S(=O)(=O)c1cccc2cnccc21)c1ccc2ccccc2c1 ZINC000541190483 1011863451 /nfs/dbraw/zinc/86/34/51/1011863451.db2.gz RFTRKCZKCITEJT-NRFANRHFSA-N -1 3 406.463 3.581 20 0 HHADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H](C)CCC(C)(C)C)cc1 ZINC000523411145 1011891404 /nfs/dbraw/zinc/89/14/04/1011891404.db2.gz PUAUSHXHZWKHEX-OAHLLOKOSA-N -1 3 404.598 3.722 20 0 HHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cnn(-c4cccc(Cl)c4)c3)cc2)n1 ZINC000523420001 1011905088 /nfs/dbraw/zinc/90/50/88/1011905088.db2.gz TUQPYFALNFQIBJ-UHFFFAOYSA-N -1 3 405.845 3.837 20 0 HHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cnn(-c4ccccn4)c3C(C)C)cc2)n1 ZINC000523422775 1011909411 /nfs/dbraw/zinc/90/94/11/1011909411.db2.gz CQBBLNJBBVWKJE-UHFFFAOYSA-N -1 3 414.469 3.702 20 0 HHADHM C[C@@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000523424412 1011911055 /nfs/dbraw/zinc/91/10/55/1011911055.db2.gz ZWEYZHRINMAGHX-IYBDPMFKSA-N -1 3 414.477 3.630 20 0 HHADHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000523433177 1011921816 /nfs/dbraw/zinc/92/18/16/1011921816.db2.gz JAMLYXDQVMAUGP-MRXNPFEDSA-N -1 3 409.864 3.788 20 0 HHADHM C[C@H]1CCCC[C@@H]1CNC(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000536787570 1012003103 /nfs/dbraw/zinc/00/31/03/1012003103.db2.gz ZLFFTQADCQJRIR-NWDGAFQWSA-N -1 3 424.282 3.689 20 0 HHADHM CC1(C)Oc2ccc([N-]S(=O)(=O)Cc3cc(-c4ccc(F)cc4)no3)cc2O1 ZINC000541305408 1012010894 /nfs/dbraw/zinc/01/08/94/1012010894.db2.gz DENXXUHYMWETBL-UHFFFAOYSA-N -1 3 404.419 3.930 20 0 HHADHM O=C(N[C@@H]1CC12CCCCC2)c1c[n-]c2ccc(I)cc2c1=O ZINC000536800676 1012021283 /nfs/dbraw/zinc/02/12/83/1012021283.db2.gz KAJAHIFMIHDBSZ-OAHLLOKOSA-N -1 3 422.266 3.585 20 0 HHADHM O=C(c1c[n-]c2ccc(I)cc2c1=O)N1CCC[C@H]2CCC[C@@H]21 ZINC000536816883 1012042422 /nfs/dbraw/zinc/04/24/22/1012042422.db2.gz OHZBFOPSAPIPCD-BZNIZROVSA-N -1 3 422.266 3.537 20 0 HHADHM CC(C)CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(N)=O)cc2)cc1 ZINC000523534656 1012065646 /nfs/dbraw/zinc/06/56/46/1012065646.db2.gz GEJHKYSRQDRVDT-UHFFFAOYSA-N -1 3 404.532 3.675 20 0 HHADHM CC(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)c1[O-] ZINC000552069522 1012087053 /nfs/dbraw/zinc/08/70/53/1012087053.db2.gz YBERZCGCXDSZJK-UHFFFAOYSA-N -1 3 401.465 3.741 20 0 HHADHM COc1ccc([C@H](NC(=O)CNC(=O)c2ccc([O-])cc2)c2ccccc2Cl)cc1 ZINC000523563214 1012101553 /nfs/dbraw/zinc/10/15/53/1012101553.db2.gz VJISPCWEFXHHKY-QFIPXVFZSA-N -1 3 424.884 3.690 20 0 HHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CCc2cc3ccccc3o2)cc1Cl ZINC000523571921 1012114766 /nfs/dbraw/zinc/11/47/66/1012114766.db2.gz IYDDVKVLEREALD-UHFFFAOYSA-N -1 3 410.854 3.705 20 0 HHADHM O=S(=O)([N-][C@@H](c1ccccc1)[C@H]1CCCO1)c1cccc(Br)c1F ZINC000541391799 1012115456 /nfs/dbraw/zinc/11/54/56/1012115456.db2.gz AXTKAPGHRRVOCC-PBHICJAKSA-N -1 3 414.296 3.787 20 0 HHADHM Cc1ccc(O)c(NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(F)cc3)ccc2C)n1 ZINC000541532582 1012315516 /nfs/dbraw/zinc/31/55/16/1012315516.db2.gz IXBLLLAMIKKKDI-UHFFFAOYSA-N -1 3 415.446 3.596 20 0 HHADHM CCCNC(=O)Nc1ccc(CC(=O)Nc2ccc(Br)cc2[O-])cc1 ZINC000523731104 1012347835 /nfs/dbraw/zinc/34/78/35/1012347835.db2.gz FSCLOHXRIKNEBN-UHFFFAOYSA-N -1 3 406.280 3.867 20 0 HHADHM O=C(c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)N1CCO[C@H](c2cccs2)C1 ZINC000541562471 1012351422 /nfs/dbraw/zinc/35/14/22/1012351422.db2.gz WXCXIIYMBIGLIF-AWEZNQCLSA-N -1 3 424.400 3.702 20 0 HHADHM O=C(Nc1c([O-])cccc1Cl)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000552433672 1012452475 /nfs/dbraw/zinc/45/24/75/1012452475.db2.gz WEQZXHSHZQJXFN-SNVBAGLBSA-N -1 3 409.667 3.800 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N(C)c1nccs1 ZINC000523833823 1012522715 /nfs/dbraw/zinc/52/27/15/1012522715.db2.gz FRXYYDNMSDACPX-UHFFFAOYSA-N -1 3 405.476 3.668 20 0 HHADHM O=C(NCCCc1ccc(Br)cc1F)c1cc(=O)c2ccccc2[n-]1 ZINC000523856587 1012553619 /nfs/dbraw/zinc/55/36/19/1012553619.db2.gz WFVHBDIJGNDCIB-UHFFFAOYSA-N -1 3 403.251 3.792 20 0 HHADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CCO[C@H](C2CCCCC2)C1 ZINC000541768186 1012634017 /nfs/dbraw/zinc/63/40/17/1012634017.db2.gz FDYSITBQKQRPHV-IBGZPJMESA-N -1 3 419.319 3.712 20 0 HHADHM O=C([N-]c1nc2ccccn2n1)c1ccc(COc2cccc(Br)c2)o1 ZINC000537309065 1012767605 /nfs/dbraw/zinc/76/76/05/1012767605.db2.gz ZDXOIPQPIBZVAB-UHFFFAOYSA-N -1 3 413.231 3.916 20 0 HHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCO[C@@H](C)C2)cc1 ZINC000537343890 1012806868 /nfs/dbraw/zinc/80/68/68/1012806868.db2.gz NKODXINZWKEIJK-DLBZAZTESA-N -1 3 402.516 3.858 20 0 HHADHM CC(C)CC(=O)N[C@H](C(=O)Nc1ccc(Br)cc1[O-])c1ccccc1 ZINC000524059715 1012816323 /nfs/dbraw/zinc/81/63/23/1012816323.db2.gz AEEMSMCDVGCBIX-SFHVURJKSA-N -1 3 405.292 3.997 20 0 HHADHM CCOC(=O)c1sc2[n-]c([C@H](C)Sc3nncn3C(C)(C)C)nc(=O)c2c1C ZINC000524088482 1012858847 /nfs/dbraw/zinc/85/88/47/1012858847.db2.gz BSYRLTUSDGECCW-JTQLQIEISA-N -1 3 421.548 3.670 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@H]2c3ccccc3C[C@@H]2C)cc1OC ZINC000524151177 1012939038 /nfs/dbraw/zinc/93/90/38/1012939038.db2.gz VGDIOXPUVMBGRB-ORAYPTAESA-N -1 3 403.504 3.512 20 0 HHADHM Cc1ccccc1Oc1ccccc1CNC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000552993527 1012970125 /nfs/dbraw/zinc/97/01/25/1012970125.db2.gz FBOWUBCCNAZHEH-UHFFFAOYSA-N -1 3 401.422 3.993 20 0 HHADHM CC[C@H](Cc1cccc(Br)c1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000524210729 1013017440 /nfs/dbraw/zinc/01/74/40/1013017440.db2.gz SPXVIHRKLVYWGZ-OAHLLOKOSA-N -1 3 414.307 3.514 20 0 HHADHM CC[C@H](Cc1cccc(Br)c1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000524210729 1013017454 /nfs/dbraw/zinc/01/74/54/1013017454.db2.gz SPXVIHRKLVYWGZ-OAHLLOKOSA-N -1 3 414.307 3.514 20 0 HHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3cc(Cl)ccc3N3CCOCC3)c[n-]c12 ZINC000553047081 1013021410 /nfs/dbraw/zinc/02/14/10/1013021410.db2.gz INXYXAXTRRTBPB-UHFFFAOYSA-N -1 3 415.852 3.718 20 0 HHADHM CSCC[C@@H]([N-]S(=O)(=O)c1ccccc1)c1nc(-c2ccccc2C)no1 ZINC000904565089 1071811994 /nfs/dbraw/zinc/81/19/94/1071811994.db2.gz OYHWNIWWJUPQNQ-QGZVFWFLSA-N -1 3 403.529 3.818 20 0 HHADHM COC(=O)c1cc(I)cc(Nc2ccc([O-])c(F)c2F)c1 ZINC001212011032 1071896518 /nfs/dbraw/zinc/89/65/18/1071896518.db2.gz NLOQSROUJIHGNZ-UHFFFAOYSA-N -1 3 405.138 3.805 20 0 HHADHM COC(=O)c1ccc(I)c(Nc2ccc([O-])c(F)c2F)c1 ZINC001212010967 1071896560 /nfs/dbraw/zinc/89/65/60/1071896560.db2.gz KJVXFEQZFSPKQA-UHFFFAOYSA-N -1 3 405.138 3.805 20 0 HHADHM Cn1c(Nc2cc(S(=O)(=O)c3ccc(O)c(N)c3)ccc2[O-])cc2ccccc21 ZINC001212047108 1071933774 /nfs/dbraw/zinc/93/37/74/1071933774.db2.gz ZPQJIZSIKLTRTB-UHFFFAOYSA-N -1 3 409.467 3.748 20 0 HHADHM CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]1c1nc(-c2ccc3[n-]c(=S)sc3c2)no1 ZINC001212053444 1071935856 /nfs/dbraw/zinc/93/58/56/1071935856.db2.gz DIFOAGJJEMIVPA-XEGUGMAKSA-N -1 3 417.560 3.672 20 0 HHADHM CC(C)Cc1ccc([C@@H](C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)N(C)C)cc1 ZINC001212066928 1071950344 /nfs/dbraw/zinc/95/03/44/1071950344.db2.gz KFTRRZLFVWWTNR-LJQANCHMSA-N -1 3 414.493 3.884 20 0 HHADHM CC(C)(C)OC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000907705690 1072008555 /nfs/dbraw/zinc/00/85/55/1072008555.db2.gz ZEWWYMFWXJGMSL-INIZCTEOSA-N -1 3 413.898 3.710 20 0 HHADHM CC(C)[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)C1(CO)CCCC1 ZINC001212088011 1072072655 /nfs/dbraw/zinc/07/26/55/1072072655.db2.gz COMDHLZBPHMCBZ-OAHLLOKOSA-N -1 3 424.788 3.958 20 0 HHADHM CCCOc1ccc(-c2noc([C@@H](N)CCc3cc(=O)oc4cc([O-])ccc34)n2)cc1 ZINC001212098033 1072076021 /nfs/dbraw/zinc/07/60/21/1072076021.db2.gz VEEQRPRIQXHIRO-IBGZPJMESA-N -1 3 421.453 3.970 20 0 HHADHM Cc1cc(F)c(-c2noc([C@@H](N)CCc3cc(=O)oc4cc([O-])ccc34)n2)cc1F ZINC001212097984 1072076050 /nfs/dbraw/zinc/07/60/50/1072076050.db2.gz SJQGCYLSVSQIIU-KRWDZBQOSA-N -1 3 413.380 3.768 20 0 HHADHM COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)OC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000913298688 1072360383 /nfs/dbraw/zinc/36/03/83/1072360383.db2.gz ASWXXABUGHYTJR-LLVKDONJSA-N -1 3 403.822 3.824 20 0 HHADHM COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)OC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000913298688 1072360390 /nfs/dbraw/zinc/36/03/90/1072360390.db2.gz ASWXXABUGHYTJR-LLVKDONJSA-N -1 3 403.822 3.824 20 0 HHADHM C[C@H](OC(=O)c1cc(-c2ccco2)[n-]n1)C(=O)Nc1ccccc1Br ZINC000913298919 1072360554 /nfs/dbraw/zinc/36/05/54/1072360554.db2.gz SVGQTMJKFJDPDV-JTQLQIEISA-N -1 3 404.220 3.616 20 0 HHADHM C[C@H](OC(=O)c1cc(-c2ccco2)n[n-]1)C(=O)Nc1ccccc1Br ZINC000913298919 1072360565 /nfs/dbraw/zinc/36/05/65/1072360565.db2.gz SVGQTMJKFJDPDV-JTQLQIEISA-N -1 3 404.220 3.616 20 0 HHADHM Cc1ccc(Cl)cc1NC(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000729834216 1072402460 /nfs/dbraw/zinc/40/24/60/1072402460.db2.gz WSLSHYDYUULQBS-UHFFFAOYSA-N -1 3 400.834 3.620 20 0 HHADHM COC(=O)[C@H](CS(=O)(=O)[N-]c1cc(C)cc(C(F)(F)F)c1)c1ccccc1 ZINC000586686878 1072410412 /nfs/dbraw/zinc/41/04/12/1072410412.db2.gz PCTKAKNJKYGTOQ-MRXNPFEDSA-N -1 3 401.406 3.712 20 0 HHADHM CC(C)c1ccc(CCNC(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)cc1 ZINC000729838554 1072410984 /nfs/dbraw/zinc/41/09/84/1072410984.db2.gz XAEMRYNUSKKKTK-UHFFFAOYSA-N -1 3 422.497 3.501 20 0 HHADHM O=S(=O)([N-][C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1)c1ccc(Cl)s1 ZINC001212143449 1072415844 /nfs/dbraw/zinc/41/58/44/1072415844.db2.gz YTMHSUQSQHSDEC-QWHCGFSZSA-N -1 3 424.897 3.710 20 0 HHADHM COc1cccc(C2(C(=O)Nc3cc(I)ccc3[O-])CC2)c1 ZINC000586801943 1072426564 /nfs/dbraw/zinc/42/65/64/1072426564.db2.gz IILXXPOTZHMGPX-UHFFFAOYSA-N -1 3 409.223 3.676 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H]1C[C@H](c2ccccc2)C[C@H](C)C1 ZINC001212145064 1072521308 /nfs/dbraw/zinc/52/13/08/1072521308.db2.gz HNTAAAOSNLDREO-USXIJHARSA-N -1 3 405.491 3.863 20 0 HHADHM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc(-n4ccc(C(F)(F)F)n4)cc3)cc2o1 ZINC000571577481 1072662456 /nfs/dbraw/zinc/66/24/56/1072662456.db2.gz VUIBOBCLNSSGLX-UHFFFAOYSA-N -1 3 424.360 3.539 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@H]3CCC(=O)[C@H](C)C3)cc2)cc1 ZINC000479119086 1072755563 /nfs/dbraw/zinc/75/55/63/1072755563.db2.gz NAEPVRZLWREGDL-CVEARBPZSA-N -1 3 400.500 3.740 20 0 HHADHM CN1CC[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)[C@@H]1c1ccc(F)c(F)c1 ZINC000479412013 1072836496 /nfs/dbraw/zinc/83/64/96/1072836496.db2.gz AEJRAMGGAZNKIT-CVEARBPZSA-N -1 3 421.296 3.995 20 0 HHADHM C[S@](=O)Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2Br)c1 ZINC000567359542 1072882600 /nfs/dbraw/zinc/88/26/00/1072882600.db2.gz YXGLIBUBFZUDHN-NRFANRHFSA-N -1 3 422.753 3.782 20 0 HHADHM CCc1ccc(CC)c(NC(=O)C[C@H](C)[N-]S(=O)(=O)c2cccnc2Cl)c1 ZINC000760687582 1072950723 /nfs/dbraw/zinc/95/07/23/1072950723.db2.gz FXYQJYIAKMNVPW-ZDUSSCGKSA-N -1 3 409.939 3.555 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cc(CN3CCSCC3)ccc2C)c(C)c1C ZINC000554931196 1072964899 /nfs/dbraw/zinc/96/48/99/1072964899.db2.gz ZAWRXCRXEZJSEY-UHFFFAOYSA-N -1 3 420.600 3.970 20 0 HHADHM Cc1cccc(OCCCc2noc(-c3ccc([N-]S(C)(=O)=O)cc3)n2)c1C ZINC000555104873 1073157417 /nfs/dbraw/zinc/15/74/17/1073157417.db2.gz LFKJCMJHGVMORS-UHFFFAOYSA-N -1 3 401.488 3.737 20 0 HHADHM Cc1ccc(Oc2ccccc2CC[N-]S(=O)(=O)c2cn(C)c(Cl)n2)cc1 ZINC001212153040 1073163379 /nfs/dbraw/zinc/16/33/79/1073163379.db2.gz DSXBMAUEUVTVTL-UHFFFAOYSA-N -1 3 405.907 3.695 20 0 HHADHM CC[C@H](C)Oc1ccccc1/C=C/C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000760769723 1073674700 /nfs/dbraw/zinc/67/47/00/1073674700.db2.gz BCHZBJYBYKGDEI-HHNLSAEISA-N -1 3 408.498 3.567 20 0 HHADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(Cl)c2)cc1 ZINC000590530298 1073908457 /nfs/dbraw/zinc/90/84/57/1073908457.db2.gz LPGHXGCPLVBTPY-UHFFFAOYSA-N -1 3 421.906 3.742 20 0 HHADHM COc1cccc2c1OC[C@H]([N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl)C2 ZINC000590611016 1073938291 /nfs/dbraw/zinc/93/82/91/1073938291.db2.gz QCUSHFIDCBSOLK-GFCCVEGCSA-N -1 3 402.299 3.592 20 0 HHADHM CCC[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000590652668 1073965856 /nfs/dbraw/zinc/96/58/56/1073965856.db2.gz USLVFMXWVZSYLD-KXBFYZLASA-N -1 3 410.518 3.825 20 0 HHADHM O=C(Nc1cnc(C2CC2)nc1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000590716713 1073990342 /nfs/dbraw/zinc/99/03/42/1073990342.db2.gz BFOPXJOFYYHQJF-UHFFFAOYSA-N -1 3 412.446 3.546 20 0 HHADHM Cc1nn(-c2ccccc2)cc1CCC[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000590792219 1074005452 /nfs/dbraw/zinc/00/54/52/1074005452.db2.gz XIUZYFVKYUYYAM-UHFFFAOYSA-N -1 3 407.898 3.884 20 0 HHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)Nc1cc(Cl)ccc1N(C)C ZINC000591045744 1074090914 /nfs/dbraw/zinc/09/09/14/1074090914.db2.gz BXSQSVZWHSXGJL-UHFFFAOYSA-N -1 3 411.893 3.843 20 0 HHADHM COc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(Br)c2Cl)c1 ZINC000559172257 1074114741 /nfs/dbraw/zinc/11/47/41/1074114741.db2.gz MPGLLVVJLUESKH-UHFFFAOYSA-N -1 3 406.685 3.921 20 0 HHADHM C[C@@H](OC(=O)c1ccc(I)c([O-])c1)C(=O)c1ccc(F)cc1 ZINC000760814060 1074193273 /nfs/dbraw/zinc/19/32/73/1074193273.db2.gz OWVQQHLZANJSBE-SECBINFHSA-N -1 3 414.170 3.564 20 0 HHADHM CO/C(=C/c1ccccc1)C(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001649006253 1074194299 /nfs/dbraw/zinc/19/42/99/1074194299.db2.gz OSGISXFNMFVWFH-CXDFQFJYSA-N -1 3 418.415 3.873 20 0 HHADHM O=C(CC1CCSCC1)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001649006371 1074202079 /nfs/dbraw/zinc/20/20/79/1074202079.db2.gz SFQCGNMTMZMZTB-CQSZACIVSA-N -1 3 400.466 3.719 20 0 HHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H]2CCSc3ccccc32)cc1Cl ZINC000591386939 1074261824 /nfs/dbraw/zinc/26/18/24/1074261824.db2.gz CEHCJWVVOZWBCN-AWEZNQCLSA-N -1 3 414.911 3.953 20 0 HHADHM Cc1ccccc1CCC(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000591368060 1074268458 /nfs/dbraw/zinc/26/84/58/1074268458.db2.gz PEDXWMCGJDGTIJ-UHFFFAOYSA-N -1 3 400.422 3.957 20 0 HHADHM CCC[C@@H]([N-]S(=O)(=O)c1cc(Br)c(F)cc1F)c1ccccn1 ZINC000591392278 1074289119 /nfs/dbraw/zinc/28/91/19/1074289119.db2.gz MQPSVYBZXLKYFN-CQSZACIVSA-N -1 3 405.264 3.942 20 0 HHADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CCC(c2ccc(F)c(F)c2)CC1 ZINC000591463496 1074310013 /nfs/dbraw/zinc/31/00/13/1074310013.db2.gz LDIWAOWFIHHCPA-HXUWFJFHSA-N -1 3 414.452 3.681 20 0 HHADHM COc1ccc(CN[C@@]2(C(=O)[O-])CCc3c2cccc3F)cc1OCc1cccnc1 ZINC000573391910 1074396124 /nfs/dbraw/zinc/39/61/24/1074396124.db2.gz QZJSSBZANJWUJC-DEOSSOPVSA-N -1 3 422.456 3.824 20 0 HHADHM Cc1ccc(C(=O)N[C@H](CC(=O)Nc2nnc(C(F)(F)F)[n-]2)c2ccccc2)cc1 ZINC000591798825 1074547937 /nfs/dbraw/zinc/54/79/37/1074547937.db2.gz XRWATCJBBVPBCO-OAHLLOKOSA-N -1 3 417.391 3.632 20 0 HHADHM Cc1ccc(C(=O)N[C@H](CC(=O)Nc2nc(C(F)(F)F)n[n-]2)c2ccccc2)cc1 ZINC000591798825 1074547948 /nfs/dbraw/zinc/54/79/48/1074547948.db2.gz XRWATCJBBVPBCO-OAHLLOKOSA-N -1 3 417.391 3.632 20 0 HHADHM CC1(C2CCN(Cc3nc(=O)c4c(-c5ccco5)csc4[n-]3)CC2)OCCO1 ZINC000760897858 1074614893 /nfs/dbraw/zinc/61/48/93/1074614893.db2.gz GOTSQUBYYYLZBU-UHFFFAOYSA-N -1 3 401.488 3.632 20 0 HHADHM CC(C)COc1ccc(C(C)(C)CNC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000592470250 1074762547 /nfs/dbraw/zinc/76/25/47/1074762547.db2.gz VRCUPDPOLWXHJH-UHFFFAOYSA-N -1 3 409.486 3.704 20 0 HHADHM CC[C@H]([N-]S(=O)(=O)c1csnc1-c1cccc(C(F)(F)F)c1)[C@H](O)C(C)C ZINC001212172113 1075118087 /nfs/dbraw/zinc/11/80/87/1075118087.db2.gz VQEMEIAXKPMIMM-XJKSGUPXSA-N -1 3 422.494 3.903 20 0 HHADHM O=S(=O)([N-]Cc1cscn1)c1csc(-c2cccc(Br)c2)n1 ZINC000594028913 1075247119 /nfs/dbraw/zinc/24/71/19/1075247119.db2.gz ICNKPAXDSDNWKJ-UHFFFAOYSA-N -1 3 416.347 3.508 20 0 HHADHM O=C(CC[C@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)Nc1cc(Cl)ccc1[O-] ZINC000594168116 1075269225 /nfs/dbraw/zinc/26/92/25/1075269225.db2.gz WXEOZQSPDLFNLY-CYBMUJFWSA-N -1 3 408.241 3.543 20 0 HHADHM COC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccc(-n3cnc4ccccc43)cc2)c1 ZINC000575101941 1075477926 /nfs/dbraw/zinc/47/79/26/1075477926.db2.gz GBSSZTBETXOCKK-UHFFFAOYSA-N -1 3 421.478 3.542 20 0 HHADHM CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)O[C@@H](C)C(Cl)(Cl)Cl)cc1 ZINC000761167985 1075551533 /nfs/dbraw/zinc/55/15/33/1075551533.db2.gz SUCYYUIUZTYVAO-JTQLQIEISA-N -1 3 418.726 3.517 20 0 HHADHM Cc1ccc(-c2nc([N-]C(=O)c3csc(-c4ccc5c(c4)OCCO5)n3)n[nH]2)cc1 ZINC000596303664 1075552783 /nfs/dbraw/zinc/55/27/83/1075552783.db2.gz UCBJOOSVSFLXMO-UHFFFAOYSA-N -1 3 419.466 3.927 20 0 HHADHM Cc1ccc(C(=O)N[C@@H](CC(=O)Nc2n[n-]c(-c3ccco3)n2)c2ccccc2)cc1 ZINC000596719792 1075579236 /nfs/dbraw/zinc/57/92/36/1075579236.db2.gz CZSFANJHOMXZKP-SFHVURJKSA-N -1 3 415.453 3.873 20 0 HHADHM CCCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3cn4cccnc4n3)c2)cc1 ZINC000601433182 1075615279 /nfs/dbraw/zinc/61/52/79/1075615279.db2.gz ZRYGEHRPWATXDK-UHFFFAOYSA-N -1 3 408.483 3.986 20 0 HHADHM CCc1cccc2c(CC(=O)N[C@@]3(C(=O)[O-])CCCN(Cc4ccccc4)C3)c[nH]c21 ZINC001123268198 939817591 /nfs/dbraw/zinc/81/75/91/939817591.db2.gz QCCBFDXVCGNUAP-VWLOTQADSA-N -1 3 419.525 3.508 20 0 HHADHM C[C@@H]([N-]S(=O)(=O)c1csc(-c2cccc(Br)c2)n1)c1ccon1 ZINC000542121673 1013055885 /nfs/dbraw/zinc/05/58/85/1013055885.db2.gz VQZGSBJVPHWRBM-SECBINFHSA-N -1 3 414.306 3.600 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](c3cnn(C)c3)c3ccc(F)cc3)nc2)n1 ZINC000302391543 971231160 /nfs/dbraw/zinc/23/11/60/971231160.db2.gz JJOWCCDNCGJYHA-OAQYLSRUSA-N -1 3 404.449 3.881 20 0 HHADHM O=C(c1ccc([O-])cc1)N1CCN(c2ccc3cccc(Br)c3n2)CC1 ZINC000302659775 971273246 /nfs/dbraw/zinc/27/32/46/971273246.db2.gz OSNWEOXROVHBGE-UHFFFAOYSA-N -1 3 412.287 3.665 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3ccc(C)nc3-n3cc(Cl)cn3)nc2)n1 ZINC000302782159 971316455 /nfs/dbraw/zinc/31/64/55/971316455.db2.gz SKWBILBDMPJHKI-UHFFFAOYSA-N -1 3 421.892 3.961 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCN([C@@H](C)c4cccc(F)c4)CC3)nc2)n1 ZINC000302784348 971317481 /nfs/dbraw/zinc/31/74/81/971317481.db2.gz LRQJPOGEDRJCKC-INIZCTEOSA-N -1 3 407.493 3.829 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCN([C@H](C)c4cccc(F)c4)CC3)nc2)n1 ZINC000302784349 971317656 /nfs/dbraw/zinc/31/76/56/971317656.db2.gz LRQJPOGEDRJCKC-MRXNPFEDSA-N -1 3 407.493 3.829 20 0 HHADHM Cc1nc(-c2ccc(N[C@H]3CCN(C)[C@H]3c3ccc(F)c(F)c3)nc2)[n-]c(=O)c1C 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Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000007095150 961012784 /nfs/dbraw/zinc/01/27/84/961012784.db2.gz DMEYVLUZVLGOOG-HNNXBMFYSA-N -1 3 419.510 3.845 20 0 HHADHM CCc1cc2c(CSc3nnnn3-c3ccc(Cl)cc3)cc(=O)oc2cc1[O-] ZINC000008229550 961481493 /nfs/dbraw/zinc/48/14/93/961481493.db2.gz AMBUWCJSKNAOIG-UHFFFAOYSA-N -1 3 414.874 3.982 20 0 HHADHM Cc1ccn2ncc(C(=O)[N-]c3nnc(-c4cccc(OC(F)(F)F)c4)s3)c2n1 ZINC000553307342 1013261282 /nfs/dbraw/zinc/26/12/82/1013261282.db2.gz LDZRTDVEAOEDGT-UHFFFAOYSA-N -1 3 420.376 3.707 20 0 HHADHM O=S(=O)([N-]Cc1coc(-c2ccccc2)n1)c1cccc(Br)c1F ZINC000542316669 1013272836 /nfs/dbraw/zinc/27/28/36/1013272836.db2.gz YDZCWUOBPWAKNZ-UHFFFAOYSA-N -1 3 411.252 3.722 20 0 HHADHM C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CSc1nnc([N-]c2ccccc2F)s1 ZINC000010078180 961738211 /nfs/dbraw/zinc/73/82/11/961738211.db2.gz KWQSDNBTXWLQDL-YPMHNXCESA-N -1 3 423.539 3.917 20 0 HHADHM O=S(=O)([N-]Cc1coc(-c2cccs2)n1)c1ccc(Br)s1 ZINC000010683740 961883109 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415.162 3.508 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H]3CCO[C@@H]3C)ccc2C)cc1 ZINC000537756271 1013318905 /nfs/dbraw/zinc/31/89/05/1013318905.db2.gz WLYXKHMDTPTBFL-DNVCBOLYSA-N -1 3 418.515 3.558 20 0 HHADHM Cc1ncc(CNC(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)c(=O)[n-]1 ZINC000542386356 1013340431 /nfs/dbraw/zinc/34/04/31/1013340431.db2.gz AYGGQGPEFCQSRV-UHFFFAOYSA-N -1 3 409.833 3.520 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)NC[C@@H]1CCCCS1 ZINC000542400598 1013353717 /nfs/dbraw/zinc/35/37/17/1013353717.db2.gz VFNNCSVLWVRNPC-HNNXBMFYSA-N -1 3 422.547 3.950 20 0 HHADHM Cc1ncc(CNC(=O)N[C@@H](COc2c(C)cccc2C)c2ccccc2)c(=O)[n-]1 ZINC000542409125 1013362300 /nfs/dbraw/zinc/36/23/00/1013362300.db2.gz OPEYCWLXBBOGRP-FQEVSTJZSA-N -1 3 406.486 3.727 20 0 HHADHM CC[C@@H]1c2ccsc2CCN1Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1 ZINC000015547461 962790967 /nfs/dbraw/zinc/79/09/67/962790967.db2.gz CZNUYECXKLCJSR-GFCCVEGCSA-N -1 3 403.529 3.651 20 0 HHADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H](CCc2ccccc2)c2ccccc2)s1 ZINC000553462505 1013373838 /nfs/dbraw/zinc/37/38/38/1013373838.db2.gz FMCVMLYBMYNSJY-GOSISDBHSA-N -1 3 415.540 3.754 20 0 HHADHM COc1cc(C(=O)N[N-]C(=O)c2ccc(Cl)cc2Cl)ccc1OC(F)F ZINC000015621610 962818266 /nfs/dbraw/zinc/81/82/66/962818266.db2.gz RCTZBFMPGJBPGN-UHFFFAOYSA-N -1 3 405.184 3.678 20 0 HHADHM C[C@H]1CCN(C(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC12CCC2 ZINC000537831931 1013395960 /nfs/dbraw/zinc/39/59/60/1013395960.db2.gz UFWQZZFRIQYBBN-ZDUSSCGKSA-N -1 3 419.374 3.701 20 0 HHADHM CCc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)Cc3ccccc3COC)n2)cc1 ZINC000553501163 1013401331 /nfs/dbraw/zinc/40/13/31/1013401331.db2.gz IRSZABZVUHPMDF-OAHLLOKOSA-N -1 3 415.515 3.626 20 0 HHADHM COc1ccc(COCCNC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)cc1 ZINC000537839934 1013401054 /nfs/dbraw/zinc/40/10/54/1013401054.db2.gz WOEORURPOWFJEQ-UHFFFAOYSA-N -1 3 408.458 3.505 20 0 HHADHM O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)NCc1ccc(Cl)cc1 ZINC000017323878 963189762 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400.411 3.502 20 0 HHADHM CCc1c(C(=O)N[N-]C(=O)c2ccc3ccccc3n2)cnn1-c1cccc(Cl)c1 ZINC000024642955 964039397 /nfs/dbraw/zinc/03/93/97/964039397.db2.gz TZSMPLRFUUNYDF-UHFFFAOYSA-N -1 3 419.872 3.711 20 0 HHADHM Cc1nc(C)c(CCC(=O)N[C@@H](c2cc3ccccc3o2)c2ccccc2)c(=O)[n-]1 ZINC000024709625 964055016 /nfs/dbraw/zinc/05/50/16/964055016.db2.gz YCPGJOMCESJTTP-HSZRJFAPSA-N -1 3 401.466 3.971 20 0 HHADHM COCc1c(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)sc2cccc(F)c21 ZINC000024891707 964102723 /nfs/dbraw/zinc/10/27/23/964102723.db2.gz QXQXCDMRJSPUER-UHFFFAOYSA-N -1 3 408.476 3.811 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc4cc(OC)ccc4n3)c2)n1 ZINC000049302095 964146334 /nfs/dbraw/zinc/14/63/34/964146334.db2.gz MJYNKQPMMSFHHY-UHFFFAOYSA-N -1 3 400.438 3.808 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCc3cc(OC)ccc3OC)c2)n1 ZINC000049303926 964147882 /nfs/dbraw/zinc/14/78/82/964147882.db2.gz MIQYOHBMYDLBMQ-UHFFFAOYSA-N -1 3 407.470 3.588 20 0 HHADHM Cc1ccsc1CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000025718668 964341518 /nfs/dbraw/zinc/34/15/18/964341518.db2.gz KDDGABGEKGOMPD-UHFFFAOYSA-N -1 3 404.488 3.926 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NCC(C)C)cc2C)c(C)c1 ZINC000050533953 964348111 /nfs/dbraw/zinc/34/81/11/964348111.db2.gz WDELDXARSPVEAN-UHFFFAOYSA-N -1 3 404.532 3.807 20 0 HHADHM O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccncc3)cc2)cc1 ZINC000050534543 964349392 /nfs/dbraw/zinc/34/93/92/964349392.db2.gz MPTHHMKBBCWUPZ-UHFFFAOYSA-N -1 3 409.467 3.802 20 0 HHADHM O=c1nc(CN2CCN(c3ccccc3F)CC2)[n-]c2scc(-c3ccco3)c21 ZINC000026227688 964493839 /nfs/dbraw/zinc/49/38/39/964493839.db2.gz DKIAGMKHRMFSCJ-UHFFFAOYSA-N -1 3 410.474 3.706 20 0 HHADHM O=C(CCc1nc2ccccc2n1-c1ccccc1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000051265609 964511845 /nfs/dbraw/zinc/51/18/45/964511845.db2.gz WBAXDXGHXHHCCA-UHFFFAOYSA-N -1 3 400.364 3.734 20 0 HHADHM O=C(CCc1nc2ccccc2n1-c1ccccc1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000051265609 964511856 /nfs/dbraw/zinc/51/18/56/964511856.db2.gz WBAXDXGHXHHCCA-UHFFFAOYSA-N -1 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20 0 HHADHM Cc1c2ccccc2oc1[C@@H](C)NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000056904001 966511034 /nfs/dbraw/zinc/51/10/34/966511034.db2.gz HOPHOAVHSRMKLY-MRXNPFEDSA-N -1 3 407.470 3.675 20 0 HHADHM COc1ccccc1[C@H](C[N-]S(=O)(=O)c1cccnc1C(F)(F)F)OC(C)C ZINC000553853321 1013657136 /nfs/dbraw/zinc/65/71/36/1013657136.db2.gz RHKKMLOEMDHOTQ-HNNXBMFYSA-N -1 3 418.437 3.554 20 0 HHADHM O=S(=O)([N-]Cc1cccc(-c2ncc[nH]2)c1)c1c(F)cccc1OC(F)(F)F ZINC000553857336 1013659175 /nfs/dbraw/zinc/65/91/75/1013659175.db2.gz COONULFOFSHLQG-UHFFFAOYSA-N -1 3 415.368 3.593 20 0 HHADHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 ZINC000041534159 966590664 /nfs/dbraw/zinc/59/06/64/966590664.db2.gz QBZUZYWNYZILPU-SFHVURJKSA-N -1 3 402.479 3.796 20 0 HHADHM C[C@H]1CN(Cc2csc([N-]C(=O)c3cc(-c4cccc(F)c4)no3)n2)C[C@H](C)O1 ZINC000041793948 966637467 /nfs/dbraw/zinc/63/74/67/966637467.db2.gz DGVWDXWGCKUBAR-STQMWFEESA-N -1 3 416.478 3.799 20 0 HHADHM O=S(=O)([N-][C@H]1CCOc2c(F)cccc21)c1c(F)cccc1OC(F)(F)F ZINC000553882014 1013673965 /nfs/dbraw/zinc/67/39/65/1013673965.db2.gz RPLIURATSGAPIF-LBPRGKRZSA-N -1 3 409.332 3.666 20 0 HHADHM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)(F)F)cc1 ZINC000063185161 966772186 /nfs/dbraw/zinc/77/21/86/966772186.db2.gz WGFZJUXBUXTNKO-KRWDZBQOSA-N -1 3 414.449 3.751 20 0 HHADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2C)cc1 ZINC000063442438 966858466 /nfs/dbraw/zinc/85/84/66/966858466.db2.gz GIOJFEDHMNIVQG-UHFFFAOYSA-N -1 3 414.321 3.974 20 0 HHADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(F)c2)cc1 ZINC000063443175 966859753 /nfs/dbraw/zinc/85/97/53/966859753.db2.gz PSJUMOUDAKOFKN-UHFFFAOYSA-N -1 3 408.495 3.642 20 0 HHADHM Cc1ccc(NC(=O)CN(C)C(C)C)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000063500843 966877621 /nfs/dbraw/zinc/87/76/21/966877621.db2.gz ZHLAMCKWQJTZMQ-UHFFFAOYSA-N -1 3 409.939 3.728 20 0 HHADHM COc1ccc(NC(=O)COC(C)C)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000063640107 966914481 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HHADHM COc1ccc(Cl)c(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)c1 ZINC000064829503 967304336 /nfs/dbraw/zinc/30/43/36/967304336.db2.gz FOQYSIQCLAVHRG-UHFFFAOYSA-N -1 3 414.886 3.817 20 0 HHADHM CCOc1ccccc1CN(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000064834569 967306390 /nfs/dbraw/zinc/30/63/90/967306390.db2.gz DYIBHZGEHGSKAU-UHFFFAOYSA-N -1 3 422.522 3.573 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)C[C@H]3CCCO3)ccc2C)cc1 ZINC000044903614 967311065 /nfs/dbraw/zinc/31/10/65/967311065.db2.gz RQGJYOAFNQQEQL-LJQANCHMSA-N -1 3 418.515 3.702 20 0 HHADHM CN(CCCC[N-]S(=O)(=O)c1ccc(Br)s1)c1ccccc1 ZINC000064953166 967336479 /nfs/dbraw/zinc/33/64/79/967336479.db2.gz PAGDQXSHIFRSAP-UHFFFAOYSA-N -1 3 403.367 3.706 20 0 HHADHM CCC(C)(C)NC(=O)[C@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C(C)C ZINC000045101753 967353883 /nfs/dbraw/zinc/35/38/83/967353883.db2.gz BLFHPQCKEDMWQD-MRXNPFEDSA-N -1 3 413.547 3.530 20 0 HHADHM Cc1ccc(C(=O)Nc2cn[nH]c2)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000065636648 967549225 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402.454 3.606 20 0 HHADHM COc1ccc2c(ccn2CC(=O)O[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)c1 ZINC000046564615 967861375 /nfs/dbraw/zinc/86/13/75/967861375.db2.gz XZPZWMNKDMJZKQ-LBPRGKRZSA-N -1 3 411.483 3.869 20 0 HHADHM CCc1cc2c([n-]c(CS(=O)(=O)c3cc(Cl)ccc3Cl)nc2=O)s1 ZINC000046702920 967928853 /nfs/dbraw/zinc/92/88/53/967928853.db2.gz PYLGQXDGFZIZRM-UHFFFAOYSA-N -1 3 403.312 3.828 20 0 HHADHM O=S(=O)(N[C@@H](c1ccc(Cl)cc1)C1CC1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000554024686 1013761014 /nfs/dbraw/zinc/76/10/14/1013761014.db2.gz GVFBNCRPXXCFIL-MRXNPFEDSA-N -1 3 424.313 3.603 20 0 HHADHM O=S(=O)(N[C@@H](c1ccc(Cl)cc1)C1CC1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000554024686 1013761023 /nfs/dbraw/zinc/76/10/23/1013761023.db2.gz GVFBNCRPXXCFIL-MRXNPFEDSA-N -1 3 424.313 3.603 20 0 HHADHM CCc1nc2cc(S(=O)(=O)[N-]c3ccc([C@@H](C)N4CCOCC4)cc3)ccc2o1 ZINC000542931437 1013766253 /nfs/dbraw/zinc/76/62/53/1013766253.db2.gz GIQPINMLXRHGEU-OAHLLOKOSA-N -1 3 415.515 3.584 20 0 HHADHM CCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2)c1 ZINC000542937286 1013770698 /nfs/dbraw/zinc/77/06/98/1013770698.db2.gz ZURPBHHFLGUICT-UHFFFAOYSA-N -1 3 407.801 3.903 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OC(C)(C)O3)cc1Br ZINC000047251058 968103362 /nfs/dbraw/zinc/10/33/62/968103362.db2.gz AVPVXAWWJKJWRR-UHFFFAOYSA-N -1 3 414.277 3.766 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@H]3CCC3(C)C)c2)cc1 ZINC000554069352 1013784299 /nfs/dbraw/zinc/78/42/99/1013784299.db2.gz QTLWPENOZPXOJR-IBGZPJMESA-N -1 3 402.516 3.723 20 0 HHADHM Cc1ccc(C)c(OCC(=O)N[N-]C(=O)c2ccc(Br)cc2Cl)c1 ZINC000048164285 968465861 /nfs/dbraw/zinc/46/58/61/968465861.db2.gz SBJKBTRSRSVQFB-UHFFFAOYSA-N -1 3 411.683 3.559 20 0 HHADHM O=C(Cc1c[nH]c2ccccc12)N[N-]C(=O)c1ccc(Br)cc1Cl ZINC000048317084 968519967 /nfs/dbraw/zinc/51/99/67/968519967.db2.gz IEVYEAQMPWGSHB-UHFFFAOYSA-N -1 3 406.667 3.588 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)CCOc2ccccc2Cl)cc1OC ZINC000065659067 968577710 /nfs/dbraw/zinc/57/77/10/968577710.db2.gz WJWZYPNMQUKFMY-UHFFFAOYSA-N -1 3 412.895 3.518 20 0 HHADHM Cc1ccc(NC(=O)COc2ccc(CCNC(=O)c3ccccc3[O-])cc2)cc1 ZINC000065675507 968583224 /nfs/dbraw/zinc/58/32/24/968583224.db2.gz APOLGOHMPOEOIB-UHFFFAOYSA-N -1 3 404.466 3.691 20 0 HHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000065798664 968649780 /nfs/dbraw/zinc/64/97/80/968649780.db2.gz HBQBZHBIWQVFEA-UHFFFAOYSA-N -1 3 404.401 3.512 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NCCc2c(C)cc(C)cc2C)cc1OC ZINC000065805031 968653543 /nfs/dbraw/zinc/65/35/43/968653543.db2.gz JAFVEIXWGSVCBA-UHFFFAOYSA-N -1 3 419.547 3.746 20 0 HHADHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)c2ccc(C(C)(C)C)cc2)ccc1F ZINC000065861427 968686151 /nfs/dbraw/zinc/68/61/51/968686151.db2.gz YMTIIQISNLOJRT-UHFFFAOYSA-N -1 3 404.507 3.864 20 0 HHADHM COc1ccccc1NC(=O)[C@@H](C)Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000068876965 968794264 /nfs/dbraw/zinc/79/42/64/968794264.db2.gz XBNIRVMVAZLXHW-CYBMUJFWSA-N -1 3 421.482 3.649 20 0 HHADHM COc1cccc([C@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)N(C)C)c1 ZINC000069090440 968812434 /nfs/dbraw/zinc/81/24/34/968812434.db2.gz LDECBRYXSMTZDY-INIZCTEOSA-N -1 3 403.331 3.583 20 0 HHADHM O=S(=O)([N-]C[C@H](c1ccccc1)N1CCCC1)c1ccc(Br)s1 ZINC000069090880 968814187 /nfs/dbraw/zinc/81/41/87/968814187.db2.gz GYFGAYLQQIAUKP-CQSZACIVSA-N -1 3 415.378 3.626 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3cc(C)ccn3)c2)cc1 ZINC000069730147 968846217 /nfs/dbraw/zinc/84/62/17/968846217.db2.gz WYWFGDGDCHQQGR-UHFFFAOYSA-N -1 3 411.483 3.760 20 0 HHADHM COc1cccc([C@H](CNC(=O)c2ccc(Br)cc2[O-])N2CCCC2)c1 ZINC000072045963 968956731 /nfs/dbraw/zinc/95/67/31/968956731.db2.gz AKATWIVCBPULNY-SFHVURJKSA-N -1 3 419.319 3.730 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)NCc1ncccc1C ZINC000078512886 969002686 /nfs/dbraw/zinc/00/26/86/969002686.db2.gz URZZQVGYFDIWOF-UHFFFAOYSA-N -1 3 413.474 3.568 20 0 HHADHM COc1cc(F)c([N-]S(=O)(=O)c2cc(Br)ccc2C)cc1OC ZINC000078612992 969008969 /nfs/dbraw/zinc/00/89/69/969008969.db2.gz UZCACGISNQVLTB-UHFFFAOYSA-N -1 3 404.257 3.715 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@H]3COc4ccccc43)cc2)cc1 ZINC000079094920 969031139 /nfs/dbraw/zinc/03/11/39/969031139.db2.gz RQSHKVJVOFSQSU-FQEVSTJZSA-N -1 3 408.479 3.911 20 0 HHADHM COCCCn1cnnc1S[C@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000097007828 969078531 /nfs/dbraw/zinc/07/85/31/969078531.db2.gz UZPJGPVDPAWRJG-LLVKDONJSA-N -1 3 417.516 3.726 20 0 HHADHM CCc1cc2c(CSc3nnc(N(C(C)=O)C4CC4)s3)cc(=O)oc2cc1[O-] ZINC000105624264 969251919 /nfs/dbraw/zinc/25/19/19/969251919.db2.gz HIPGPDPYUBZSOR-UHFFFAOYSA-N -1 3 417.512 3.720 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2oc3ccc(OC)cc3c2C)cc1OC ZINC000108545244 969392558 /nfs/dbraw/zinc/39/25/58/969392558.db2.gz CABYHDGMICMQQG-UHFFFAOYSA-N -1 3 418.471 3.772 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C2(c3cccc(Cl)c3)CC2)cc1OC ZINC000108579636 969396868 /nfs/dbraw/zinc/39/68/68/969396868.db2.gz BBRDJRBXDNEQTC-UHFFFAOYSA-N -1 3 408.907 3.781 20 0 HHADHM Cc1ccc(C(=O)Nc2cc(Cl)ccc2[O-])cc1S(=O)(=O)N1CCCCC1 ZINC000109127244 969466709 /nfs/dbraw/zinc/46/67/09/969466709.db2.gz INIGCCVBFCTQHT-UHFFFAOYSA-N -1 3 408.907 3.781 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NCc2cccc(OC(C)C)c2)cc1OC ZINC000109196943 969477224 /nfs/dbraw/zinc/47/72/24/969477224.db2.gz RSNMNMYKYSDRRS-UHFFFAOYSA-N -1 3 421.519 3.566 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccncc3)c2)cc1C ZINC000110021442 969610648 /nfs/dbraw/zinc/61/06/48/969610648.db2.gz NHINDWOLLVOIMG-UHFFFAOYSA-N -1 3 411.483 3.760 20 0 HHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCN(C(=O)C2CCCCC2)CC1 ZINC000110222812 969638832 /nfs/dbraw/zinc/63/88/32/969638832.db2.gz NHJUPHCLPWDCRE-UHFFFAOYSA-N -1 3 406.526 3.848 20 0 HHADHM CC(C)[C@H](SCc1ccccc1)C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000110568226 969688656 /nfs/dbraw/zinc/68/86/56/969688656.db2.gz ZSCDBWWBSPIKOD-NRFANRHFSA-N -1 3 412.555 3.635 20 0 HHADHM O=C(Nc1cccc(CN2CCSCC2)c1)c1ccc(Br)cc1[O-] ZINC000111099213 969777121 /nfs/dbraw/zinc/77/71/21/969777121.db2.gz CHNSPLBCEHIFOW-UHFFFAOYSA-N -1 3 407.333 3.956 20 0 HHADHM O=C(Cc1cccs1)Nc1nc(CC(=O)Nc2cc(Cl)ccc2[O-])cs1 ZINC000111210550 969804159 /nfs/dbraw/zinc/80/41/59/969804159.db2.gz ULEBPNJNSKRLJX-UHFFFAOYSA-N -1 3 407.904 3.926 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(NCCc3ccc(F)c(Br)c3)nc2)n1 ZINC000111228094 969811632 /nfs/dbraw/zinc/81/16/32/969811632.db2.gz YBZGUFRYMLUNJV-UHFFFAOYSA-N -1 3 417.282 3.951 20 0 HHADHM C[C@@H](OC(=O)c1cc(-c2ccco2)[n-]n1)C(=O)Nc1ccc(Br)cc1 ZINC000115646574 969845601 /nfs/dbraw/zinc/84/56/01/969845601.db2.gz HJNZPQJQRCRKMJ-SNVBAGLBSA-N -1 3 404.220 3.616 20 0 HHADHM C[C@@H](OC(=O)c1cc(-c2ccco2)n[n-]1)C(=O)Nc1ccc(Br)cc1 ZINC000115646574 969845612 /nfs/dbraw/zinc/84/56/12/969845612.db2.gz HJNZPQJQRCRKMJ-SNVBAGLBSA-N -1 3 404.220 3.616 20 0 HHADHM C[C@@H](OC(=O)c1cc(-c2ccco2)[n-]n1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000115647004 969845678 /nfs/dbraw/zinc/84/56/78/969845678.db2.gz GJQYDGPWFBOYRO-SNVBAGLBSA-N -1 3 409.320 3.752 20 0 HHADHM C[C@@H](OC(=O)c1cc(-c2ccco2)n[n-]1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000115647004 969845682 /nfs/dbraw/zinc/84/56/82/969845682.db2.gz GJQYDGPWFBOYRO-SNVBAGLBSA-N -1 3 409.320 3.752 20 0 HHADHM CSc1ccc([C@H](C)NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)cc1 ZINC000115956454 969864807 /nfs/dbraw/zinc/86/48/07/969864807.db2.gz DUHSBCGLIQMBMH-AWEZNQCLSA-N -1 3 408.527 3.672 20 0 HHADHM CCCN1CCC[C@H]1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000116430557 969894361 /nfs/dbraw/zinc/89/43/61/969894361.db2.gz KCUIUHPDOVADRL-IBGZPJMESA-N -1 3 421.950 3.954 20 0 HHADHM O=C(NCCSC(F)(F)F)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000117156029 969939651 /nfs/dbraw/zinc/93/96/51/969939651.db2.gz WOSLCFQYEZCQPJ-UHFFFAOYSA-N -1 3 422.425 3.609 20 0 HHADHM COc1cc(/C=C/C(=O)c2ccc3c(c2)CCC(=O)N3)cc(Br)c1[O-] ZINC000117231705 969943703 /nfs/dbraw/zinc/94/37/03/969943703.db2.gz QIBMUSFMQXGNFP-QHHAFSJGSA-N -1 3 402.244 3.944 20 0 HHADHM O=S(=O)(Cc1coc(-c2cccc(F)c2)n1)c1nnc(CCC2CCCC2)[n-]1 ZINC000195735066 969991078 /nfs/dbraw/zinc/99/10/78/969991078.db2.gz ILTFUOWOZYWHKI-UHFFFAOYSA-N -1 3 404.467 3.696 20 0 HHADHM O=S(=O)(Cc1coc(-c2cccc(F)c2)n1)c1nc(CCC2CCCC2)n[n-]1 ZINC000195735066 969991083 /nfs/dbraw/zinc/99/10/83/969991083.db2.gz ILTFUOWOZYWHKI-UHFFFAOYSA-N -1 3 404.467 3.696 20 0 HHADHM COc1ccc([C@H](NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)c2ccc(F)cc2)cc1 ZINC000139666621 970041375 /nfs/dbraw/zinc/04/13/75/970041375.db2.gz KTARYLUHOBWUKQ-HXUWFJFHSA-N -1 3 419.412 3.629 20 0 HHADHM CC(C)C[N-]S(=O)(=O)c1cc(C(=O)N(C)Cc2ccco2)c(Cl)cc1Cl ZINC000215961184 970057568 /nfs/dbraw/zinc/05/75/68/970057568.db2.gz WWFDORUAMRMKHP-UHFFFAOYSA-N -1 3 419.330 3.793 20 0 HHADHM O=C(c1ccc(Cl)cc1)N1CCCN(Cc2cc(=O)oc3cc([O-])ccc23)CC1 ZINC000141627694 970123443 /nfs/dbraw/zinc/12/34/43/970123443.db2.gz STSHPXZQPYBZBS-UHFFFAOYSA-N -1 3 412.873 3.500 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@H](C)c2ccccc2Cl)cc1OC ZINC000143725264 970207347 /nfs/dbraw/zinc/20/73/47/970207347.db2.gz RJTYTIYJEWPHNB-GFCCVEGCSA-N -1 3 411.911 3.993 20 0 HHADHM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2C)cc1 ZINC000145598787 970266236 /nfs/dbraw/zinc/26/62/36/970266236.db2.gz OKNMFNMJHWLXHE-UHFFFAOYSA-N -1 3 415.559 3.878 20 0 HHADHM CC(C)Oc1ccc([C@H](CNC(=O)c2ccc(Br)c([O-])c2)N(C)C)cc1 ZINC000554652293 1014001634 /nfs/dbraw/zinc/00/16/34/1014001634.db2.gz CXGCAGFEBGTMBI-SFHVURJKSA-N -1 3 421.335 3.975 20 0 HHADHM O=S(=O)([N-]Cc1ccc2c(c1)CCO2)c1c(Cl)cccc1Br ZINC000554664053 1014005100 /nfs/dbraw/zinc/00/51/00/1014005100.db2.gz RHHWWFJGPYVJCV-UHFFFAOYSA-N -1 3 402.697 3.516 20 0 HHADHM COc1cc(C=NNC(=O)c2cc(C)nc3ccccc32)cc(Br)c1[O-] ZINC000254420933 970571852 /nfs/dbraw/zinc/57/18/52/970571852.db2.gz ZSXDODPIQBQHHH-UHFFFAOYSA-N -1 3 414.259 3.784 20 0 HHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(N(C)C)nc2)cc1 ZINC000261378998 970635339 /nfs/dbraw/zinc/63/53/39/970635339.db2.gz RBBYHCOTVSINTO-UHFFFAOYSA-N -1 3 424.526 3.818 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H]3C[C@@H]3c3ccc4c(c3)OCCO4)c2)n1 ZINC000304020511 972575987 /nfs/dbraw/zinc/57/59/87/972575987.db2.gz LVDXBRGRFCWJNW-RTBURBONSA-N -1 3 417.465 3.925 20 0 HHADHM C[C@@H]([N-]S(=O)(=O)c1cc(Br)cnc1Cl)c1ccc(F)cc1F ZINC000316049282 972647967 /nfs/dbraw/zinc/64/79/67/972647967.db2.gz HRYAILBVJROCIF-SSDOTTSWSA-N -1 3 411.655 3.815 20 0 HHADHM CN(C)[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Br)c1cccs1 ZINC000318744227 972665406 /nfs/dbraw/zinc/66/54/06/972665406.db2.gz AUGXUHJEKJRRFU-GFCCVEGCSA-N -1 3 423.785 3.745 20 0 HHADHM Nc1ccc(Br)cc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1F ZINC000320416789 972681064 /nfs/dbraw/zinc/68/10/64/972681064.db2.gz GQPVVGQRLHWUAM-UHFFFAOYSA-N -1 3 413.190 3.990 20 0 HHADHM CC1(C)CN(C(=O)c2ccc(Br)cc2[O-])CCN1Cc1ccccc1 ZINC000383076880 972790440 /nfs/dbraw/zinc/79/04/40/972790440.db2.gz ZSXZCSRWWSDSOU-UHFFFAOYSA-N -1 3 403.320 3.891 20 0 HHADHM O=S(=O)([N-]Cc1ccsc1Br)c1ccc(Br)s1 ZINC000388478730 972805666 /nfs/dbraw/zinc/80/56/66/972805666.db2.gz SONYPZGVYMDEBN-UHFFFAOYSA-N -1 3 417.169 3.813 20 0 HHADHM Cc1cnc(Br)c([N-]S(=O)(=O)c2ccccc2Br)c1 ZINC000388320872 972805693 /nfs/dbraw/zinc/80/56/93/972805693.db2.gz IVPDBBITBCRZFX-UHFFFAOYSA-N -1 3 406.099 3.716 20 0 HHADHM O=S(=O)([N-]CC=C(Cl)Cl)c1cc(Br)ccc1Br ZINC000407444004 972888747 /nfs/dbraw/zinc/88/87/47/972888747.db2.gz VXBFNEDSQINDGE-UHFFFAOYSA-N -1 3 423.941 3.809 20 0 HHADHM CC(C)c1nc(C2([N-]S(=O)(=O)c3cccc4c3OC(C)(C)C4)CCCC2)no1 ZINC000409487828 972938528 /nfs/dbraw/zinc/93/85/28/972938528.db2.gz WQSCLWHGDCNZIJ-UHFFFAOYSA-N -1 3 405.520 3.654 20 0 HHADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2OC(F)F)cc1Cl ZINC000410178425 973673794 /nfs/dbraw/zinc/67/37/94/973673794.db2.gz HEVCLRYNMNKORI-GHMZBOCLSA-N -1 3 404.262 3.831 20 0 HHADHM CCNc1nc(C(=O)[N-]c2nnc(-c3cccc(Br)c3)s2)cs1 ZINC000426393652 974429783 /nfs/dbraw/zinc/42/97/83/974429783.db2.gz GQQSZJMIIMMLQK-UHFFFAOYSA-N -1 3 410.322 4.108 20 0 HHADHM Cc1nsc(C)c1-c1noc(-c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)n1 ZINC000426638036 974575867 /nfs/dbraw/zinc/57/58/67/974575867.db2.gz OSORXCRSWPJYNX-UHFFFAOYSA-N -1 3 419.463 3.745 20 0 HHADHM COc1cc(Br)c(CNC[C@@]2(CC(=O)[O-])CC[C@H](C)C2)c(OC)c1 ZINC000426641853 974578067 /nfs/dbraw/zinc/57/80/67/974578067.db2.gz CCLJPZUNJPZHQS-SGTLLEGYSA-N -1 3 400.313 3.837 20 0 HHADHM COc1ccc(CNC[C@@H](Cc2cccc(C)c2)C(=O)[O-])c(Br)c1O ZINC000426646652 974580798 /nfs/dbraw/zinc/58/07/98/974580798.db2.gz MHOMVQQUZCMQME-OAHLLOKOSA-N -1 3 408.292 3.505 20 0 HHADHM COc1ccc(C[NH2+]C[C@@H](Cc2cccc(C)c2)C(=O)[O-])c(Br)c1[O-] ZINC000426646652 974580803 /nfs/dbraw/zinc/58/08/03/974580803.db2.gz MHOMVQQUZCMQME-OAHLLOKOSA-N -1 3 408.292 3.505 20 0 HHADHM COc1ccc(CNCCC[C@@H](Cc2ccccc2)C(=O)[O-])c(Br)c1O ZINC000426673888 974594070 /nfs/dbraw/zinc/59/40/70/974594070.db2.gz HXXMMPMLPISQOK-HNNXBMFYSA-N -1 3 422.319 3.977 20 0 HHADHM O=C([O-])[C@@H](CNCc1cn(-c2ccc(F)c(Cl)c2)nn1)Cc1cccc(Cl)c1 ZINC000426704155 974606899 /nfs/dbraw/zinc/60/68/99/974606899.db2.gz JEUWUPOSGSFQHE-CYBMUJFWSA-N -1 3 423.275 3.746 20 0 HHADHM COc1ccc([C@@H](CCC(=O)[O-])[NH2+]Cc2cc(Br)c([O-])c(OC)c2)cc1 ZINC000426722138 974616350 /nfs/dbraw/zinc/61/63/50/974616350.db2.gz GJCHZTKUWVVINF-MRXNPFEDSA-N -1 3 424.291 3.868 20 0 HHADHM Cc1ccc(CN[C@@H](CN2CCCc3ccccc32)C(=O)[O-])c(Br)c1 ZINC000426734762 974623497 /nfs/dbraw/zinc/62/34/97/974623497.db2.gz BIERCYXOTZHTBU-SFHVURJKSA-N -1 3 403.320 3.753 20 0 HHADHM O=C([O-])[C@H](CN1CCCc2ccccc21)NCc1ccc(-c2ccncc2)cc1F ZINC000426740319 974627191 /nfs/dbraw/zinc/62/71/91/974627191.db2.gz HFSVBPUVPNMAMR-QFIPXVFZSA-N -1 3 405.473 3.883 20 0 HHADHM COc1c(Cl)cc(Cl)cc1CN[C@@H](CN1CCCc2ccccc21)C(=O)[O-] ZINC000426744721 974630680 /nfs/dbraw/zinc/63/06/80/974630680.db2.gz RNDMZXLONJLXKE-KRWDZBQOSA-N -1 3 409.313 3.998 20 0 HHADHM O=C([O-])[C@@H](CSCCOc1ccccc1)NCc1ccccc1Br ZINC000426758630 974638962 /nfs/dbraw/zinc/63/89/62/974638962.db2.gz IPLHJZZCKGUHCA-QGZVFWFLSA-N -1 3 410.333 3.804 20 0 HHADHM COc1ccc(CN[C@H](CC(=O)[O-])c2ccc(OC)c(OC)c2)cc1Br ZINC000426806847 974674978 /nfs/dbraw/zinc/67/49/78/974674978.db2.gz LISBGWLVMPMZJY-OAHLLOKOSA-N -1 3 424.291 3.781 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)c1cnn(-c2ccncc2)c1C(F)F ZINC000427064240 974870059 /nfs/dbraw/zinc/87/00/59/974870059.db2.gz JMYZMYSRNBVFGB-UHFFFAOYSA-N -1 3 423.217 3.603 20 0 HHADHM O=C(CCc1cc(Cl)ccc1Br)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000427067417 974872327 /nfs/dbraw/zinc/87/23/27/974872327.db2.gz OOSWIDWKHIIYCS-UHFFFAOYSA-N -1 3 420.698 3.778 20 0 HHADHM O=C(CCc1cc(Cl)ccc1Br)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000427067417 974872332 /nfs/dbraw/zinc/87/23/32/974872332.db2.gz OOSWIDWKHIIYCS-UHFFFAOYSA-N -1 3 420.698 3.778 20 0 HHADHM Cc1cc(-c2cc(C(=O)Nc3c(C)[nH]c(=O)[n-]c3=O)c3c(C)noc3n2)c(C)s1 ZINC000427144042 974938140 /nfs/dbraw/zinc/93/81/40/974938140.db2.gz MEHBIZKZBOVBCX-UHFFFAOYSA-N -1 3 411.443 3.638 20 0 HHADHM C[C@H](c1ccc(Br)cc1)[S@@](=O)Cc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000427195027 974969787 /nfs/dbraw/zinc/96/97/87/974969787.db2.gz ZOUOPRUFRQCNIS-MEFFNOMFSA-N -1 3 409.227 3.973 20 0 HHADHM C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1)c1nc(Cc2ccccc2)no1 ZINC000427285476 975024663 /nfs/dbraw/zinc/02/46/63/975024663.db2.gz WMFLTMVWOHSTRW-LBPRGKRZSA-N -1 3 411.405 3.719 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]c2ccc3c(cc(C)c(=O)n3C)c2)ccc1OC(C)C ZINC000427311031 975043414 /nfs/dbraw/zinc/04/34/14/975043414.db2.gz ZBRCEKNDMRGXIZ-UHFFFAOYSA-N -1 3 400.500 3.743 20 0 HHADHM COC(=O)C1(CS(=O)(=O)[N-]c2ccc(Cl)c(OC(F)F)c2)CCCCC1 ZINC000427334332 975059652 /nfs/dbraw/zinc/05/96/52/975059652.db2.gz IIYHRMLOWNDWAZ-UHFFFAOYSA-N -1 3 411.854 3.807 20 0 HHADHM CC(C)Oc1nc(C(F)(F)F)ccc1C(=O)[N-]c1nnc(CC(F)(F)F)s1 ZINC000427376664 975084744 /nfs/dbraw/zinc/08/47/44/975084744.db2.gz SWFMSJDIORSOOF-UHFFFAOYSA-N -1 3 414.331 4.096 20 0 HHADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N(Cc1ccc(F)cc1)C1CCOCC1 ZINC000427800295 975296636 /nfs/dbraw/zinc/29/66/36/975296636.db2.gz GXCINYCUKRWFSV-UHFFFAOYSA-N -1 3 416.399 3.767 20 0 HHADHM CC(C)[C@@H]([N-]S(=O)(=O)C[C@H](C)c1ccccc1)c1nc(-c2ccncc2)no1 ZINC000427853217 975322107 /nfs/dbraw/zinc/32/21/07/975322107.db2.gz OXFMMMMBEVMDAI-MAUKXSAKSA-N -1 3 400.504 3.552 20 0 HHADHM O=S(=O)([N-]C[C@@H](CCO)c1ccccc1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000427870257 975329533 /nfs/dbraw/zinc/32/95/33/975329533.db2.gz ZHNKJTQZDNOXEV-MRXNPFEDSA-N -1 3 422.959 3.908 20 0 HHADHM Cc1ccc(C)c(S(=O)(=O)C2(C(=O)NCc3ccc([O-])c(F)c3)CCCC2)c1 ZINC000427955262 975365610 /nfs/dbraw/zinc/36/56/10/975365610.db2.gz ALGHHEFEJJFROB-UHFFFAOYSA-N -1 3 405.491 3.551 20 0 HHADHM Cc1ccc(SC2(C(=O)Nc3cc4c(cc3[O-])n(C)c(=O)n4C)CCCC2)cc1 ZINC000428000136 975381196 /nfs/dbraw/zinc/38/11/96/975381196.db2.gz IEISGTMTXWHZHG-UHFFFAOYSA-N -1 3 411.527 3.935 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H]3[C@@H]4CCC[C@@H]43)ccc2C)cc1 ZINC000428078731 975422302 /nfs/dbraw/zinc/42/23/02/975422302.db2.gz IVXUPJXIUMSVTR-KXTWHKPSSA-N -1 3 414.527 3.723 20 0 HHADHM CS(=O)(=O)c1ccc(F)c([N-]C(=O)c2cc(Br)c(F)cc2F)c1 ZINC000428273495 975588110 /nfs/dbraw/zinc/58/81/10/975588110.db2.gz NAIBEVRMFVJVBJ-UHFFFAOYSA-N -1 3 408.195 3.522 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CC4(C3)CCCC4)ccc2C)cc1 ZINC000428330505 975638246 /nfs/dbraw/zinc/63/82/46/975638246.db2.gz MZMHPNXAMDOREG-UHFFFAOYSA-N -1 3 414.527 3.821 20 0 HHADHM Cc1nc(C)c(CC(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCCO2)c(=O)[n-]1 ZINC000428880584 976171789 /nfs/dbraw/zinc/17/17/89/976171789.db2.gz IGZKEYKJTCDGTK-OAHLLOKOSA-N -1 3 405.882 3.582 20 0 HHADHM Cc1nc(C)c(CCC(=O)NCC2(c3ccccc3Br)CCC2)c(=O)[n-]1 ZINC000428892905 976194075 /nfs/dbraw/zinc/19/40/75/976194075.db2.gz AHPYSIBHHPEVSU-UHFFFAOYSA-N -1 3 418.335 3.732 20 0 HHADHM CCCn1ccnc1CCCN(C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000429009823 976290386 /nfs/dbraw/zinc/29/03/86/976290386.db2.gz PJFYOPOPIQMLBT-UHFFFAOYSA-N -1 3 409.328 3.535 20 0 HHADHM Cc1nc(C)c(CCC(=O)N[C@@H]2c3cc(Br)ccc3CC2(C)C)c(=O)[n-]1 ZINC000429220311 976514476 /nfs/dbraw/zinc/51/44/76/976514476.db2.gz NQHQCTPLAMFRDM-GOSISDBHSA-N -1 3 418.335 3.934 20 0 HHADHM Cc1noc(C[C@H](NCc2nc3c4ccccc4oc3c(=O)[n-]2)c2ccccc2)n1 ZINC000429545107 976809795 /nfs/dbraw/zinc/80/97/95/976809795.db2.gz DVWPBAXAEBFRJV-INIZCTEOSA-N -1 3 401.426 3.847 20 0 HHADHM CO[C@@H]1CCCC[C@H]1NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000429566655 976833893 /nfs/dbraw/zinc/83/38/93/976833893.db2.gz DQILDYMXSHHAIL-ZIAGYGMSSA-N -1 3 413.699 3.631 20 0 HHADHM COC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)c1ccccc1 ZINC000429825365 977095691 /nfs/dbraw/zinc/09/56/91/977095691.db2.gz FXEDUHAPQVNAPH-CQSZACIVSA-N -1 3 404.713 3.769 20 0 HHADHM CC(C)(C)[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Br)CCO1 ZINC000429840542 977110692 /nfs/dbraw/zinc/11/06/92/977110692.db2.gz OVRGUKAETTZVDR-SMDDNHRTSA-N -1 3 410.761 3.975 20 0 HHADHM C[C@H](CCO)C1(C[N-]S(=O)(=O)c2cc(Cl)ccc2Br)CCC1 ZINC000429843181 977113608 /nfs/dbraw/zinc/11/36/08/977113608.db2.gz SHTYIDCUKMIDGV-LLVKDONJSA-N -1 3 410.761 3.570 20 0 HHADHM CCc1cnc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2Br)s1 ZINC000429843455 977115210 /nfs/dbraw/zinc/11/52/10/977115210.db2.gz JCNOTZVHICTXNI-UHFFFAOYSA-N -1 3 409.758 3.642 20 0 HHADHM Cc1ncc(CNC(=O)N[C@@H](CC2CC2)c2cc(F)cc(Br)c2)c(=O)[n-]1 ZINC000430294744 977454710 /nfs/dbraw/zinc/45/47/10/977454710.db2.gz AEZXSGZIDVURHE-INIZCTEOSA-N -1 3 423.286 3.733 20 0 HHADHM COCCOc1ccc(S(=O)(=O)[N-]c2c3c(ccc2Cl)CC(C)(C)O3)cc1 ZINC000430350564 977496021 /nfs/dbraw/zinc/49/60/21/977496021.db2.gz AEAABXZBGCGDFB-UHFFFAOYSA-N -1 3 411.907 3.880 20 0 HHADHM CN(Cc1cccnc1)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430407946 977527574 /nfs/dbraw/zinc/52/75/74/977527574.db2.gz PMTPACWXKRAPJV-UHFFFAOYSA-N -1 3 406.667 3.611 20 0 HHADHM CC[C@@H]1CN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)C[C@H](C)O1 ZINC000430556006 977629918 /nfs/dbraw/zinc/62/99/18/977629918.db2.gz PULYNKZRXUAQRA-GXSJLCMTSA-N -1 3 413.699 3.584 20 0 HHADHM C[C@H](CNC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O)C(F)(F)F ZINC000430569780 977636694 /nfs/dbraw/zinc/63/66/94/977636694.db2.gz JASFYASYLHJYCB-ZCFIWIBFSA-N -1 3 411.605 3.872 20 0 HHADHM C[C@@H](NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O)[C@@H]1CCCCO1 ZINC000430569826 977636748 /nfs/dbraw/zinc/63/67/48/977636748.db2.gz JDOHXJPWCLNGJI-OTYXRUKQSA-N -1 3 413.699 3.631 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]C[C@H](C[C@@H](C)O)c2ccccc2)sc1Br ZINC000431282397 978168453 /nfs/dbraw/zinc/16/84/53/978168453.db2.gz JZMGKEOVEAJNGM-OCCSQVGLSA-N -1 3 418.378 3.652 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)Cc2c[nH]c3cccc(Cl)c23)cc1OC ZINC000431320997 978206064 /nfs/dbraw/zinc/20/60/64/978206064.db2.gz AFFYXWAHCGVOMI-UHFFFAOYSA-N -1 3 421.906 3.773 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@@H](c2ccccc2)C(F)F)cc1OC ZINC000431702983 978446839 /nfs/dbraw/zinc/44/68/39/978446839.db2.gz PXKQUPUKAMPOFM-INIZCTEOSA-N -1 3 413.446 3.585 20 0 HHADHM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CCSc3ccc(Cl)cc32)oc1C ZINC000431805600 978527116 /nfs/dbraw/zinc/52/71/16/978527116.db2.gz VFFFJLKELKZTEL-ZDUSSCGKSA-N -1 3 401.893 3.543 20 0 HHADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(C)=O)ccc2Cl)c(Cl)c1 ZINC000432045131 978659741 /nfs/dbraw/zinc/65/97/41/978659741.db2.gz CWSIPVBSGOMSIG-UHFFFAOYSA-N -1 3 402.255 3.783 20 0 HHADHM O=C1CCCc2cc(S(=O)(=O)[N-][C@H](c3ccc(F)cc3)C(F)(F)F)ccc21 ZINC000432184457 978704316 /nfs/dbraw/zinc/70/43/16/978704316.db2.gz GBCPIMJZBQWBBJ-QGZVFWFLSA-N -1 3 401.381 3.927 20 0 HHADHM CC[C@H](CNC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)Oc1cccc(C(F)(F)F)c1 ZINC000432345937 978769532 /nfs/dbraw/zinc/76/95/32/978769532.db2.gz JCCPHUWSLGJYLN-CYBMUJFWSA-N -1 3 421.375 3.568 20 0 HHADHM Cc1nc(C)c(CCC(=O)Nc2nnc([C@H]3CCCc4ccccc43)s2)c(=O)[n-]1 ZINC000432604138 978908963 /nfs/dbraw/zinc/90/89/63/978908963.db2.gz SKJXTLQIYYFBOJ-KRWDZBQOSA-N -1 3 409.515 3.690 20 0 HHADHM COC(=O)c1cnc(SCC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)[n-]1 ZINC000432670993 978931275 /nfs/dbraw/zinc/93/12/75/978931275.db2.gz PMYVMYJJMUOODT-SFHVURJKSA-N -1 3 413.524 3.524 20 0 HHADHM COC(=O)c1cnc(SCc2ccnc(-c3ccc(Br)cc3)n2)[n-]1 ZINC000432673629 978931874 /nfs/dbraw/zinc/93/18/74/978931874.db2.gz XOCXNPHIDQJOCL-UHFFFAOYSA-N -1 3 405.277 3.708 20 0 HHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(N(C)C)cc2)cc1OCC1CCOCC1 ZINC000432769474 978968300 /nfs/dbraw/zinc/96/83/00/978968300.db2.gz SCVYHICAGUJKCE-UHFFFAOYSA-N -1 3 404.532 3.667 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)CN(C)C(=O)N3)cc1C(C)C ZINC000432777327 978971261 /nfs/dbraw/zinc/97/12/61/978971261.db2.gz ATEFKMKTUPDSJO-UHFFFAOYSA-N -1 3 403.504 3.905 20 0 HHADHM CCc1cc(=O)c2cc([N-]S(=O)(=O)c3cc(Cl)c(OC)cc3C)ccc2[nH]1 ZINC000432778347 978971483 /nfs/dbraw/zinc/97/14/83/978971483.db2.gz DUWWXSWYDAPBAS-UHFFFAOYSA-N -1 3 406.891 3.862 20 0 HHADHM COCCOc1cc([N-]S(=O)(=O)c2cc(C(C)C)c(OC)cc2C)ccc1OC ZINC000432777636 978971670 /nfs/dbraw/zinc/97/16/70/978971670.db2.gz VJHZTXSWXNHBEY-UHFFFAOYSA-N -1 3 423.531 3.962 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)Nc3ccccc3SC)c2)[n-]1 ZINC000432911134 979009181 /nfs/dbraw/zinc/00/91/81/979009181.db2.gz HORMCSRKRVVBOF-UHFFFAOYSA-N -1 3 411.487 3.692 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)Nc3ccccc3SC)c2)n[n-]1 ZINC000432911134 979009185 /nfs/dbraw/zinc/00/91/85/979009185.db2.gz HORMCSRKRVVBOF-UHFFFAOYSA-N -1 3 411.487 3.692 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)Nc3cccc(Cl)c3C)c2)[n-]1 ZINC000432913241 979009810 /nfs/dbraw/zinc/00/98/10/979009810.db2.gz YYNHAGDQDKKEIJ-UHFFFAOYSA-N -1 3 413.865 3.932 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)Nc3cccc(Cl)c3C)c2)n[n-]1 ZINC000432913241 979009813 /nfs/dbraw/zinc/00/98/13/979009813.db2.gz YYNHAGDQDKKEIJ-UHFFFAOYSA-N -1 3 413.865 3.932 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc([C@H](C)N3CCOCC3)c2)cc1Cl ZINC000432949827 979020266 /nfs/dbraw/zinc/02/02/66/979020266.db2.gz MTFVVZOFIXHWHF-HNNXBMFYSA-N -1 3 424.950 3.851 20 0 HHADHM O=S(=O)([N-][C@@H](c1cc(F)ccc1F)C(F)F)c1cnn(-c2ccccc2F)c1 ZINC000432969517 979028861 /nfs/dbraw/zinc/02/88/61/979028861.db2.gz GFRCIGSCUCKHBL-INIZCTEOSA-N -1 3 417.359 3.574 20 0 HHADHM Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1[N-]S(=O)(=O)c1ccccc1F ZINC000433371745 979259773 /nfs/dbraw/zinc/25/97/73/979259773.db2.gz FKOMLSHUULIPDN-SFHVURJKSA-N -1 3 414.506 3.578 20 0 HHADHM CCC(CC)n1ccc(CSc2nc3nc(C)cc(C(=O)OC)c3c(=O)[n-]2)n1 ZINC000433378734 979263971 /nfs/dbraw/zinc/26/39/71/979263971.db2.gz VHTADLKHQDIFAF-UHFFFAOYSA-N -1 3 401.492 3.675 20 0 HHADHM CCCOc1ccc(NC(=O)NCc2cccc(-c3nnc(C(=O)OCC)[n-]3)c2)cc1 ZINC000433600205 979416666 /nfs/dbraw/zinc/41/66/66/979416666.db2.gz QEOJEOBBYIFOBJ-UHFFFAOYSA-N -1 3 423.473 3.759 20 0 HHADHM CCCOc1ccc(NC(=O)NCc2cccc(-c3n[n-]c(C(=O)OCC)n3)c2)cc1 ZINC000433600205 979416668 /nfs/dbraw/zinc/41/66/68/979416668.db2.gz QEOJEOBBYIFOBJ-UHFFFAOYSA-N -1 3 423.473 3.759 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]Cc2cn3cc(Cl)ccc3n2)sc1Br ZINC000433658662 979459703 /nfs/dbraw/zinc/45/97/03/979459703.db2.gz GZEGWABEMXSGSK-UHFFFAOYSA-N -1 3 420.741 3.599 20 0 HHADHM CO[C@H](C[N-]S(=O)(=O)c1cc(C)c(Br)s1)c1ccc(F)cc1 ZINC000433671181 979471679 /nfs/dbraw/zinc/47/16/79/979471679.db2.gz FVIKUZJEUYYWDY-GFCCVEGCSA-N -1 3 408.314 3.624 20 0 HHADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2nc(C(C)(C)C)no2)sc1Br ZINC000433675630 979475364 /nfs/dbraw/zinc/47/53/64/979475364.db2.gz DCSLTZJVLMRPKD-QMMMGPOBSA-N -1 3 408.343 3.539 20 0 HHADHM C[C@H]1CCc2onc(C(=O)N3CCC(C(=O)Nc4cc(Cl)ccc4[O-])CC3)c2C1 ZINC000433712727 979506877 /nfs/dbraw/zinc/50/68/77/979506877.db2.gz IZOXTIOQJPQQTG-LBPRGKRZSA-N -1 3 417.893 3.649 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)Nc3cc(C)c(OC)cc3C)c2)[n-]1 ZINC000433823508 979601888 /nfs/dbraw/zinc/60/18/88/979601888.db2.gz XFLSSNSSXMHEJA-UHFFFAOYSA-N -1 3 423.473 3.596 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)Nc3cc(C)c(OC)cc3C)c2)n[n-]1 ZINC000433823508 979601895 /nfs/dbraw/zinc/60/18/95/979601895.db2.gz XFLSSNSSXMHEJA-UHFFFAOYSA-N -1 3 423.473 3.596 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)Nc3cc(C)cc(OC)c3C)c2)[n-]1 ZINC000433850762 979625653 /nfs/dbraw/zinc/62/56/53/979625653.db2.gz CSIOCYRGFCLWJS-UHFFFAOYSA-N -1 3 423.473 3.596 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)Nc3cc(C)cc(OC)c3C)c2)n[n-]1 ZINC000433850762 979625659 /nfs/dbraw/zinc/62/56/59/979625659.db2.gz CSIOCYRGFCLWJS-UHFFFAOYSA-N -1 3 423.473 3.596 20 0 HHADHM CCOc1ccc2c(c1)CCN(C(=O)NCc1ccc([O-])c(Br)c1)C2 ZINC000433996366 979744458 /nfs/dbraw/zinc/74/44/58/979744458.db2.gz ZMIYGADZWZTIPY-UHFFFAOYSA-N -1 3 405.292 3.821 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)NCC(C)(C)c2ccc(Cl)c(Cl)c2)c(C)o1 ZINC000434091256 979839970 /nfs/dbraw/zinc/83/99/70/979839970.db2.gz CRYXXVVWUKCZEU-UHFFFAOYSA-N -1 3 419.330 3.511 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(Oc3ccccc3OC)cc2)c(C)o1 ZINC000434210322 979979666 /nfs/dbraw/zinc/97/96/66/979979666.db2.gz WEGDPYYTKPUTJC-UHFFFAOYSA-N -1 3 416.455 3.549 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H](C)c2ccc(Cl)c(Cl)c2)c(C)o1 ZINC000434221279 979991022 /nfs/dbraw/zinc/99/10/22/979991022.db2.gz VMMWNGUZFZICKG-VIFPVBQESA-N -1 3 405.303 3.636 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)NCCC3=CCCCCC3)c2)[n-]1 ZINC000434382443 980128210 /nfs/dbraw/zinc/12/82/10/980128210.db2.gz HKDOFHWUIJRWAP-UHFFFAOYSA-N -1 3 411.506 3.728 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)NCCC3=CCCCCC3)c2)n[n-]1 ZINC000434382443 980128215 /nfs/dbraw/zinc/12/82/15/980128215.db2.gz HKDOFHWUIJRWAP-UHFFFAOYSA-N -1 3 411.506 3.728 20 0 HHADHM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1cc(C(=O)NC(C)C)ccc1Cl ZINC000434633588 980309850 /nfs/dbraw/zinc/30/98/50/980309850.db2.gz JLUJMSQAHKMZFW-UHFFFAOYSA-N -1 3 410.923 3.904 20 0 HHADHM CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc(C)c2Br)c1 ZINC000435140126 980671395 /nfs/dbraw/zinc/67/13/95/980671395.db2.gz RTOXNMDOFSONFI-UHFFFAOYSA-N -1 3 417.712 3.571 20 0 HHADHM CC(C)CCOc1ccc(S(=O)(=O)[N-]c2cccc([C@H]3CNC(=O)C3)c2)cc1 ZINC000435140200 980672092 /nfs/dbraw/zinc/67/20/92/980672092.db2.gz ZBAVJDIRIDOBQW-QGZVFWFLSA-N -1 3 402.516 3.516 20 0 HHADHM O=S(=O)([N-][C@@H]1CCCOc2ccc(F)cc21)c1cc(F)ccc1Br ZINC000435208418 980722981 /nfs/dbraw/zinc/72/29/81/980722981.db2.gz RLVWDJPMJYWZSL-CQSZACIVSA-N -1 3 418.259 3.920 20 0 HHADHM COc1ccccc1C1(C[N-]S(=O)(=O)c2cc(F)ccc2Br)CC1 ZINC000435211775 980724758 /nfs/dbraw/zinc/72/47/58/980724758.db2.gz VCQJRDADVJAQLS-UHFFFAOYSA-N -1 3 414.296 3.607 20 0 HHADHM COc1ccc2c(c1)nc(C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)n2C ZINC000435426028 980856744 /nfs/dbraw/zinc/85/67/44/980856744.db2.gz FYUQFDSLIFWNQH-UHFFFAOYSA-N -1 3 418.277 3.506 20 0 HHADHM CCOc1cccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2ccc(Br)s2)c1 ZINC000435426258 980856782 /nfs/dbraw/zinc/85/67/82/980856782.db2.gz HBASODOWWPHYJG-QWHCGFSZSA-N -1 3 402.335 3.744 20 0 HHADHM CCC[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)c1nnc2ccccn21 ZINC000435438793 980862577 /nfs/dbraw/zinc/86/25/77/980862577.db2.gz RLRYSQZRRJDGGR-CYBMUJFWSA-N -1 3 417.293 3.995 20 0 HHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H]2C[C@H](c3cccc(F)c3)C2)cc1Cl ZINC000435592990 980952598 /nfs/dbraw/zinc/95/25/98/980952598.db2.gz NZOSWNBVXMEUNO-MQMHXKEQSA-N -1 3 414.861 3.801 20 0 HHADHM Cc1ccc(-c2nsc([N-]C(=O)c3nnn(Cc4ccc(F)cc4)c3C)n2)s1 ZINC000435739356 981010427 /nfs/dbraw/zinc/01/04/27/981010427.db2.gz XCRSSDPNXWIAOL-UHFFFAOYSA-N -1 3 414.491 3.915 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3C[C@H](C)[C@@H](C)C3)c2)cc1 ZINC000435953296 981110817 /nfs/dbraw/zinc/11/08/17/981110817.db2.gz NQCYGEFWMDBRLQ-IRXDYDNUSA-N -1 3 416.543 3.923 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N1CC(C)=C[C@@H](C)C1 ZINC000436003940 981146983 /nfs/dbraw/zinc/14/69/83/981146983.db2.gz UDJCQAPQVLMZFK-CQSZACIVSA-N -1 3 402.491 3.973 20 0 HHADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)cc1Br ZINC000436011301 981153062 /nfs/dbraw/zinc/15/30/62/981153062.db2.gz BGBZBOXFCWXLEP-UHFFFAOYSA-N -1 3 423.210 3.626 20 0 HHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2c(C)cc(Br)cc2Cl)c(C)o1 ZINC000436027618 981165568 /nfs/dbraw/zinc/16/55/68/981165568.db2.gz RPZIEDRLRGUJSU-UHFFFAOYSA-N -1 3 422.684 3.900 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3C[C@H](C)[C@H](C)C3)ccc2C)cc1 ZINC000436182752 981239722 /nfs/dbraw/zinc/23/97/22/981239722.db2.gz IAIFYANHCZFASP-CALCHBBNSA-N -1 3 416.543 3.923 20 0 HHADHM COc1ccc(-c2ccn(-c3ccc(S[C@@H](C)c4nc(C)cc(=O)[n-]4)nn3)n2)cc1 ZINC000436243908 981266432 /nfs/dbraw/zinc/26/64/32/981266432.db2.gz QUCXNNGRRWOEDD-AWEZNQCLSA-N -1 3 420.498 3.995 20 0 HHADHM COc1ccccc1[C@@H]1CN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CCN1 ZINC000436505784 981407020 /nfs/dbraw/zinc/40/70/20/981407020.db2.gz AFTUKYSNQLPPQM-NRFANRHFSA-N -1 3 404.466 3.980 20 0 HHADHM COc1ccc(C(=O)N2CCN(C3c4ccccc4-c4ccccc43)CC2)c([O-])c1 ZINC000436513341 981410480 /nfs/dbraw/zinc/41/04/80/981410480.db2.gz MPYYPVZLXQRWDW-UHFFFAOYSA-N -1 3 400.478 3.929 20 0 HHADHM CC[C@H](NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C1CCOCC1 ZINC000436524854 981417570 /nfs/dbraw/zinc/41/75/70/981417570.db2.gz CELJRSSRHRQEBI-VXKWHMMOSA-N -1 3 410.514 3.575 20 0 HHADHM CC(=O)c1cnc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)s1 ZINC000436526236 981419313 /nfs/dbraw/zinc/41/93/13/981419313.db2.gz QIKANLBTUIZBBH-KRWDZBQOSA-N -1 3 409.467 3.551 20 0 HHADHM CN(C)CCN(Cc1ccc(Br)cc1)C(=O)c1cc(F)c([O-])c(F)c1 ZINC000436527140 981420077 /nfs/dbraw/zinc/42/00/77/981420077.db2.gz CJQKORDVJVGQRK-UHFFFAOYSA-N -1 3 413.262 3.637 20 0 HHADHM CC(C)OCc1cccc(NC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000436529735 981422628 /nfs/dbraw/zinc/42/26/28/981422628.db2.gz PBYGAVONGOAZOL-UHFFFAOYSA-N -1 3 411.502 3.744 20 0 HHADHM Cc1nc(-c2ccccc2C)sc1C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436531626 981423515 /nfs/dbraw/zinc/42/35/15/981423515.db2.gz DGXRYDLCUXGXNS-UHFFFAOYSA-N -1 3 421.522 3.731 20 0 HHADHM O=C(Nc1ccc(Oc2ccccn2)cc1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436539319 981428868 /nfs/dbraw/zinc/42/88/68/981428868.db2.gz NRENKJXFLGVXMP-UHFFFAOYSA-N -1 3 418.453 3.569 20 0 HHADHM CC(C)(CCCc1ccccc1)CNC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436540356 981429720 /nfs/dbraw/zinc/42/97/20/981429720.db2.gz YQNQJOJPQBINJZ-UHFFFAOYSA-N -1 3 423.557 3.909 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@H](c1cccnc1)C1CC1 ZINC000436539416 981429908 /nfs/dbraw/zinc/42/99/08/981429908.db2.gz VYKKGYXTWCJULU-UPVQGACJSA-N -1 3 415.493 3.916 20 0 HHADHM CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436541604 981431105 /nfs/dbraw/zinc/43/11/05/981431105.db2.gz WXJOTIWTEGMIPV-KRWDZBQOSA-N -1 3 400.500 3.614 20 0 HHADHM CC(C)S(=O)(=O)Cc1cccc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)c1 ZINC000436548228 981434967 /nfs/dbraw/zinc/43/49/67/981434967.db2.gz PYWQOKUWBRFLOY-UHFFFAOYSA-N -1 3 403.500 3.681 20 0 HHADHM C[C@H](Cc1cccc(O)c1)NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436555976 981440881 /nfs/dbraw/zinc/44/08/81/981440881.db2.gz JXNXWKSEOWREQC-UZUQRXQVSA-N -1 3 418.493 3.706 20 0 HHADHM C[C@@H](CNc1ccccc1)NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436555368 981440997 /nfs/dbraw/zinc/44/09/97/981440997.db2.gz IHUZSBJJZUWVLY-FDDCHVKYSA-N -1 3 417.509 3.870 20 0 HHADHM CN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436561821 981445517 /nfs/dbraw/zinc/44/55/17/981445517.db2.gz KPKRMLPWAVCBTL-KRWDZBQOSA-N -1 3 406.404 3.674 20 0 HHADHM Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)c(O)c1C ZINC000436564331 981446887 /nfs/dbraw/zinc/44/68/87/981446887.db2.gz GRIJGIXKYSXSLP-UHFFFAOYSA-N -1 3 402.394 3.652 20 0 HHADHM CCOC(=O)c1cnn(-c2cccc(NC(=O)c3ccc(C(C)=O)c([O-])c3)c2)c1C ZINC000436564434 981447096 /nfs/dbraw/zinc/44/70/96/981447096.db2.gz JWNBBKQTXAOBOZ-UHFFFAOYSA-N -1 3 407.426 3.518 20 0 HHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(Oc2ccccc2)o1 ZINC000436564977 981448013 /nfs/dbraw/zinc/44/80/13/981448013.db2.gz LHDUNCIRRJFQPU-UHFFFAOYSA-N -1 3 406.438 3.812 20 0 HHADHM CNC(=O)c1cc(Oc2cc(NC(=O)c3cc(OC)ccc3[O-])ccc2C)ccn1 ZINC000436573437 981452586 /nfs/dbraw/zinc/45/25/86/981452586.db2.gz HQZMZEPLGLHOBZ-UHFFFAOYSA-N -1 3 407.426 3.508 20 0 HHADHM CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)c2cc(CC)ccc2[O-])C1 ZINC000436577959 981456478 /nfs/dbraw/zinc/45/64/78/981456478.db2.gz WGEXLDWAZOZSQI-OAHLLOKOSA-N -1 3 400.441 3.608 20 0 HHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(CSC(C)C)c2C)ccc1O ZINC000436582315 981458663 /nfs/dbraw/zinc/45/86/63/981458663.db2.gz BCISPEDJEDWZSS-UHFFFAOYSA-N -1 3 409.529 3.930 20 0 HHADHM CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC000436590486 981463327 /nfs/dbraw/zinc/46/33/27/981463327.db2.gz NDYBSRPWTGJYLR-OAHLLOKOSA-N -1 3 400.441 3.779 20 0 HHADHM C[C@H](c1nnc(-c2ccccc2F)s1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436593059 981464321 /nfs/dbraw/zinc/46/43/21/981464321.db2.gz BXVPTPGVBWEHKG-CQSZACIVSA-N -1 3 412.490 3.569 20 0 HHADHM CN(C)C(=O)c1cccc(CCNC(=O)c2cc(Oc3ccccc3)ccc2[O-])c1 ZINC000436592637 981464480 /nfs/dbraw/zinc/46/44/80/981464480.db2.gz XCMMTLFSXGJWQG-UHFFFAOYSA-N -1 3 404.466 3.859 20 0 HHADHM COCC[C@H](NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1ccco1 ZINC000436594717 981465166 /nfs/dbraw/zinc/46/51/66/981465166.db2.gz ILSMXAYAOMNLKQ-SFTDATJTSA-N -1 3 422.481 3.740 20 0 HHADHM CS(=O)(=O)Nc1cccc(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])c1 ZINC000436595137 981465814 /nfs/dbraw/zinc/46/58/14/981465814.db2.gz HVAYFNWPQGMBCE-UHFFFAOYSA-N -1 3 410.495 3.801 20 0 HHADHM O=C(c1ccc(F)cc1)N1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000436598060 981466787 /nfs/dbraw/zinc/46/67/87/981466787.db2.gz SCISGQRHZHMMMR-UHFFFAOYSA-N -1 3 418.468 3.720 20 0 HHADHM Cc1nn(C)c(=O)c(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)c1C ZINC000436600665 981468032 /nfs/dbraw/zinc/46/80/32/981468032.db2.gz AJZDHEZMSAEKHP-UHFFFAOYSA-N -1 3 406.467 3.632 20 0 HHADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1ccnc(-n2cncn2)c1 ZINC000436601941 981468573 /nfs/dbraw/zinc/46/85/73/981468573.db2.gz JDSOVAYNHRBMGB-UHFFFAOYSA-N -1 3 414.450 3.897 20 0 HHADHM O=C(Nc1ccc(N2CCCC2=O)cn1)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436611909 981474052 /nfs/dbraw/zinc/47/40/52/981474052.db2.gz ZNQUUPQTPDZRCX-UHFFFAOYSA-N -1 3 403.438 3.745 20 0 HHADHM C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])c1ncc(-c2ccccc2)o1 ZINC000436616739 981476610 /nfs/dbraw/zinc/47/66/10/981476610.db2.gz FUXBOENDYGVQRC-CRAIPNDOSA-N -1 3 405.454 3.529 20 0 HHADHM CC[C@@H](CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])Oc1cccc(Cl)c1 ZINC000436620971 981478285 /nfs/dbraw/zinc/47/82/85/981478285.db2.gz AEZFIQFYSKXSCG-QFBILLFUSA-N -1 3 416.905 3.624 20 0 HHADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CC=C(c2ccc(Cl)cc2)CC1 ZINC000436621557 981479019 /nfs/dbraw/zinc/47/90/19/981479019.db2.gz BPJBOCUJPHALDP-HXUWFJFHSA-N -1 3 410.901 3.966 20 0 HHADHM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436622462 981479762 /nfs/dbraw/zinc/47/97/62/981479762.db2.gz DELUXUDDOGHHGX-MJGOQNOKSA-N -1 3 400.906 3.788 20 0 HHADHM CCCCNC(=O)[C@@H]1CCCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC000436623644 981480311 /nfs/dbraw/zinc/48/03/11/981480311.db2.gz IPQCJNJDAJJAID-OAQYLSRUSA-N -1 3 408.542 3.946 20 0 HHADHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CCC(CCc2ccccc2)CC1 ZINC000436627895 981482542 /nfs/dbraw/zinc/48/25/42/981482542.db2.gz YXCRIXLMAOBYTP-QFIPXVFZSA-N -1 3 406.526 3.868 20 0 HHADHM CC(C)CCOc1ccccc1CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436634293 981485079 /nfs/dbraw/zinc/48/50/79/981485079.db2.gz GFGVWWDAUDACCZ-FQEVSTJZSA-N -1 3 410.514 3.738 20 0 HHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N([C@H](C)C(C)C)C3CC3)cs2)c1 ZINC000436635734 981485713 /nfs/dbraw/zinc/48/57/13/981485713.db2.gz VVXXXPWJPNHBLF-CQSZACIVSA-N -1 3 401.532 3.987 20 0 HHADHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000436636286 981486389 /nfs/dbraw/zinc/48/63/89/981486389.db2.gz QNLIUSUXEXIWDJ-SFHVURJKSA-N -1 3 419.308 3.889 20 0 HHADHM O=C(c1ccc(-c2ccc(F)cc2)s1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436653563 981493322 /nfs/dbraw/zinc/49/33/22/981493322.db2.gz FPJSGABYINOPRS-UHFFFAOYSA-N -1 3 410.470 3.858 20 0 HHADHM [O-]c1cc2c(cc1-c1nc(-c3ccc4nc(-c5cscn5)[nH]c4c3)no1)OCO2 ZINC000436660233 981496870 /nfs/dbraw/zinc/49/68/70/981496870.db2.gz RTLREGAIFPWQKF-UHFFFAOYSA-N -1 3 405.395 3.838 20 0 HHADHM O=C(c1cc2c(ccc(Cl)c2Cl)[nH]1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436659951 981497107 /nfs/dbraw/zinc/49/71/07/981497107.db2.gz BJMHPFZNKGSGPF-UHFFFAOYSA-N -1 3 418.280 3.779 20 0 HHADHM O=C(CCCc1ccc2ccccc2c1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436665320 981499842 /nfs/dbraw/zinc/49/98/42/981499842.db2.gz QXCRTDNXZSIHNM-UHFFFAOYSA-N -1 3 402.494 3.853 20 0 HHADHM CC(=O)c1sc(NC(=O)CCNC(=O)c2ccc(C)cc2[O-])nc1-c1ccccc1 ZINC000436666911 981500572 /nfs/dbraw/zinc/50/05/72/981500572.db2.gz RWAXJDHCPXSQEI-UHFFFAOYSA-N -1 3 423.494 3.785 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)N2CCC(c3c[nH]c4ccccc43)CC2)c([O-])c1 ZINC000436666761 981500651 /nfs/dbraw/zinc/50/06/51/981500651.db2.gz RQVAFZXIPWFXIC-UHFFFAOYSA-N -1 3 405.498 3.708 20 0 HHADHM CC[C@](C)(NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-])c1nc(C)cs1 ZINC000436670644 981502467 /nfs/dbraw/zinc/50/24/67/981502467.db2.gz RLHUHVIUVUYQNV-FQEVSTJZSA-N -1 3 414.487 3.761 20 0 HHADHM CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)c2ccc(C(C)C)cc2[O-])s1 ZINC000436671593 981503312 /nfs/dbraw/zinc/50/33/12/981503312.db2.gz AGDZXVWHTRCDMH-UHFFFAOYSA-N -1 3 424.588 3.580 20 0 HHADHM COCC[C@@H](NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C(C)(C)C ZINC000436675839 981506111 /nfs/dbraw/zinc/50/61/11/981506111.db2.gz MCRADQLOFTVSRN-LEWJYISDSA-N -1 3 412.530 3.821 20 0 HHADHM O=C(NCCNC(=O)c1cccc(OCc2ccc(Cl)cc2)c1)c1ccc([O-])cc1 ZINC000436682446 981509696 /nfs/dbraw/zinc/50/96/96/981509696.db2.gz VPTFKWFRUZQJAV-UHFFFAOYSA-N -1 3 424.884 3.784 20 0 HHADHM Cc1ccc(C(=O)NCCc2nc(-c3ccc(OC(F)(F)F)cc3)no2)c([O-])c1 ZINC000436686121 981511629 /nfs/dbraw/zinc/51/16/29/981511629.db2.gz DRPQSODYGGIKJB-UHFFFAOYSA-N -1 3 407.348 3.622 20 0 HHADHM Cc1ccc(C(=O)NCCc2nc(Cc3cc(Cl)ccc3Cl)no2)c([O-])c1 ZINC000436685362 981511885 /nfs/dbraw/zinc/51/18/85/981511885.db2.gz AILYTPZJCZJZNP-UHFFFAOYSA-N -1 3 406.269 3.954 20 0 HHADHM CCCn1c2ccc(S(N)(=O)=O)cc2nc1-c1cc(Cl)c([O-])c(OCC)c1 ZINC000436688647 981513317 /nfs/dbraw/zinc/51/33/17/981513317.db2.gz UNBILTVJRCVSRT-UHFFFAOYSA-N -1 3 409.895 3.518 20 0 HHADHM COc1cc(-c2nc(-c3cc(Cl)ccc3O[C@H]3CCOC3)no2)cc(OC)c1[O-] ZINC000436691880 981515330 /nfs/dbraw/zinc/51/53/30/981515330.db2.gz VNKLTKKKKMMDEY-ZDUSSCGKSA-N -1 3 418.833 3.948 20 0 HHADHM O=C(N[C@H](c1ccc(F)cc1)C1CCC1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436701234 981520539 /nfs/dbraw/zinc/52/05/39/981520539.db2.gz ZWOPLSWJHBZBME-NRFANRHFSA-N -1 3 411.477 3.540 20 0 HHADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1cn(C2CCOCC2)nn1 ZINC000436706372 981522884 /nfs/dbraw/zinc/52/28/84/981522884.db2.gz PIIQMVJNPZTZNE-UHFFFAOYSA-N -1 3 421.482 3.864 20 0 HHADHM O=C(N[C@@H]1CCCC[C@H]1c1ccccc1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436714122 981526762 /nfs/dbraw/zinc/52/67/62/981526762.db2.gz HGGIXQMIPGJKIY-FCHUYYIVSA-N -1 3 407.514 3.586 20 0 HHADHM C[C@@H]1CC(CCNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C[C@@H](C)O1 ZINC000436714669 981526808 /nfs/dbraw/zinc/52/68/08/981526808.db2.gz MVWLCDUTHJEODK-PMAPCBKXSA-N -1 3 424.541 3.963 20 0 HHADHM COc1ccc(C(=O)N2CCO[C@H](c3ccc(Br)cc3)[C@@H]2C)c([O-])c1 ZINC000436721261 981531063 /nfs/dbraw/zinc/53/10/63/981531063.db2.gz IITIOXAVNQNZSD-SGTLLEGYSA-N -1 3 406.276 3.766 20 0 HHADHM Cc1c(NCC(C)(C)C)cccc1C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436726476 981534250 /nfs/dbraw/zinc/53/42/50/981534250.db2.gz YBAUZUDCNLDGHU-UHFFFAOYSA-N -1 3 409.530 3.757 20 0 HHADHM CC[C@H](NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)C(C)(C)c1ccccc1 ZINC000436729836 981535372 /nfs/dbraw/zinc/53/53/72/981535372.db2.gz CXFDMBYYOKVUNU-NRFANRHFSA-N -1 3 409.530 3.616 20 0 HHADHM COc1cc([C@@H](C)NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)ccn1 ZINC000436737299 981539072 /nfs/dbraw/zinc/53/90/72/981539072.db2.gz IKHVQLSFGYQWTP-IERDGZPVSA-N -1 3 419.481 3.534 20 0 HHADHM O=C(N[C@H]1CCCC[C@@H]1Cc1ccccc1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436741196 981540104 /nfs/dbraw/zinc/54/01/04/981540104.db2.gz SELNQZUFBMUDRB-GGAORHGYSA-N -1 3 421.541 3.661 20 0 HHADHM CN(Cc1c(Cl)cccc1Cl)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436747555 981543394 /nfs/dbraw/zinc/54/33/94/981543394.db2.gz NNLKYZORYZYJMR-KRWDZBQOSA-N -1 3 407.297 3.962 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@@H](C1CC1)C(F)(F)F ZINC000436751277 981545307 /nfs/dbraw/zinc/54/53/07/981545307.db2.gz RIHZUQQCSVCYPE-MJGOQNOKSA-N -1 3 406.404 3.711 20 0 HHADHM NC(=O)c1ccc(N2CCCC2)c(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])c1 ZINC000436756090 981547551 /nfs/dbraw/zinc/54/75/51/981547551.db2.gz QCNCABDNOZSEHC-UHFFFAOYSA-N -1 3 415.493 3.934 20 0 HHADHM O=C(c1ccccc1[O-])N1CCN(C(=O)c2ccccc2COc2ccccc2)CC1 ZINC000436768755 981553953 /nfs/dbraw/zinc/55/39/53/981553953.db2.gz GGOHXQUYLRKLFU-UHFFFAOYSA-N -1 3 416.477 3.569 20 0 HHADHM O=C(Nc1nc2c(s1)CCCCC2)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436772763 981555541 /nfs/dbraw/zinc/55/55/41/981555541.db2.gz MGJNPDDXWQPYBA-UHFFFAOYSA-N -1 3 414.531 3.544 20 0 HHADHM O=C(c1ccc(-c2ccc(F)cc2)s1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436775722 981556579 /nfs/dbraw/zinc/55/65/79/981556579.db2.gz XSYBYTHCYXWFGN-UHFFFAOYSA-N -1 3 410.470 3.858 20 0 HHADHM O=C(NC1CC(c2ccc(F)c(Cl)c2)C1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436781035 981558620 /nfs/dbraw/zinc/55/86/20/981558620.db2.gz AQNLWMXHCVEXLE-ZOJXTTQQSA-N -1 3 416.880 3.852 20 0 HHADHM CC(C)(C)NC(=O)N1CCC(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000436790959 981562639 /nfs/dbraw/zinc/56/26/39/981562639.db2.gz IDIAJFHPXHGXJX-UHFFFAOYSA-N -1 3 411.502 3.887 20 0 HHADHM CC(C)[C@@H](SCc1ccccc1)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436793072 981564241 /nfs/dbraw/zinc/56/42/41/981564241.db2.gz QLUBOJLUIBYWQT-OAQYLSRUSA-N -1 3 412.555 3.635 20 0 HHADHM COc1cccc(C(NC(=O)c2cc(NC(C)=O)ccc2[O-])c2cccc(OC)c2)c1 ZINC000436795426 981565547 /nfs/dbraw/zinc/56/55/47/981565547.db2.gz QXKXCEZRAJAQTP-UHFFFAOYSA-N -1 3 420.465 3.887 20 0 HHADHM Cc1ccc(-c2c[nH]cc2C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)s1 ZINC000436796133 981566287 /nfs/dbraw/zinc/56/62/87/981566287.db2.gz UODFSGRGEHAKSF-UHFFFAOYSA-N -1 3 409.511 3.792 20 0 HHADHM CCC[C@@H](NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(F)cc1F ZINC000436797937 981567188 /nfs/dbraw/zinc/56/71/88/981567188.db2.gz IRTLNRGFGQRQGL-LJQANCHMSA-N -1 3 417.456 3.679 20 0 HHADHM CC(C)[C@@H](NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccc(F)cc1F ZINC000436798758 981567712 /nfs/dbraw/zinc/56/77/12/981567712.db2.gz MUSQTYSWJALYBS-HXUWFJFHSA-N -1 3 417.456 3.535 20 0 HHADHM Cc1cc(=O)c(C(=O)Nc2cc(F)ccc2[O-])nn1-c1cccc(C(F)(F)F)c1 ZINC000436804637 981569314 /nfs/dbraw/zinc/56/93/14/981569314.db2.gz BSKSCRXBPIRHFW-UHFFFAOYSA-N -1 3 407.323 3.657 20 0 HHADHM CCCc1nc(C)c(CNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)o1 ZINC000436805216 981569739 /nfs/dbraw/zinc/56/97/39/981569739.db2.gz RADHLLUDZCJAFG-HXUWFJFHSA-N -1 3 421.497 3.819 20 0 HHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1cc(Cl)c(F)cc1Cl ZINC000436810593 981571710 /nfs/dbraw/zinc/57/17/10/981571710.db2.gz SIYNUFYTLGOJGJ-UHFFFAOYSA-N -1 3 411.260 3.873 20 0 HHADHM COCCC[C@@H](CNC(=O)c1cc(NC(C)=O)ccc1[O-])c1ccc(Cl)cc1 ZINC000436810484 981571752 /nfs/dbraw/zinc/57/17/52/981571752.db2.gz BDIQWUOPPHQLIG-INIZCTEOSA-N -1 3 404.894 3.944 20 0 HHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@@H](C(C)C)C(F)(F)F)cs2)c1 ZINC000436830305 981580561 /nfs/dbraw/zinc/58/05/61/981580561.db2.gz QHDCLOJZYPJJSS-HNNXBMFYSA-N -1 3 415.437 3.655 20 0 HHADHM COc1cc(C(=O)N[C@@H](C)[C@@H](OC)c2ccc(Br)cc2)cc(OC)c1[O-] ZINC000436836712 981582833 /nfs/dbraw/zinc/58/28/33/981582833.db2.gz ICACPZNUYOBFSL-BBATYDOGSA-N -1 3 424.291 3.678 20 0 HHADHM CS(=O)(=O)c1ccc(CNC(=O)c2cc(CCc3ccccc3)ccc2[O-])s1 ZINC000436842782 981586053 /nfs/dbraw/zinc/58/60/53/981586053.db2.gz XAAPFGNYCHMUHR-UHFFFAOYSA-N -1 3 415.536 3.572 20 0 HHADHM CC(C)(C)c1nc2cc(NC(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])ccc2[nH]1 ZINC000436846752 981587960 /nfs/dbraw/zinc/58/79/60/981587960.db2.gz YCWMSUYPWALYPL-GOSISDBHSA-N -1 3 406.486 3.809 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc(C)c(NC(=O)C(C)(C)C)c2)c([O-])c1 ZINC000436847742 981588316 /nfs/dbraw/zinc/58/83/16/981588316.db2.gz LGGPXZIPJXOJCT-UHFFFAOYSA-N -1 3 411.502 3.752 20 0 HHADHM COc1cccc(C(=O)Nc2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)c1[O-] ZINC000436852734 981591401 /nfs/dbraw/zinc/59/14/01/981591401.db2.gz PRDKAVRKFWDJRI-UHFFFAOYSA-N -1 3 418.515 3.606 20 0 HHADHM CCc1ccc(-c2nc(CC(=O)Nc3cc(C)nn3-c3ccc(C)cc3)no2)c([O-])c1 ZINC000436869030 981597606 /nfs/dbraw/zinc/59/76/06/981597606.db2.gz CCJABJWAQRRQAB-UHFFFAOYSA-N -1 3 417.469 3.988 20 0 HHADHM O=C(c1ccccc1[O-])N1CCN(C(=O)C2(c3cccc(Cl)c3)CCCC2)CC1 ZINC000436886205 981601364 /nfs/dbraw/zinc/60/13/64/981601364.db2.gz RCWVUFXOVBIVLR-UHFFFAOYSA-N -1 3 412.917 3.842 20 0 HHADHM COc1cccc(C(=O)Nc2cccc(CS(=O)(=O)C3CCCCC3)c2)c1[O-] ZINC000436893109 981603974 /nfs/dbraw/zinc/60/39/74/981603974.db2.gz NUSWXUDOCSHXCC-UHFFFAOYSA-N -1 3 403.500 3.901 20 0 HHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000436896203 981605024 /nfs/dbraw/zinc/60/50/24/981605024.db2.gz MDVHATWYKCOYHP-FXAWDEMLSA-N -1 3 407.432 3.953 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@H]1C[C@@H]1c1ccccc1 ZINC000436902279 981608483 /nfs/dbraw/zinc/60/84/83/981608483.db2.gz FARFDJLZBZPBOL-VJBWXMMDSA-N -1 3 400.478 3.926 20 0 HHADHM CO[C@@]1(C)CCCN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC1 ZINC000436907680 981613241 /nfs/dbraw/zinc/61/32/41/981613241.db2.gz STNYAZCYIHIPER-QPPBQGQZSA-N -1 3 410.514 3.671 20 0 HHADHM O=C(Nc1cccc(Oc2ccncc2)c1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436909113 981614527 /nfs/dbraw/zinc/61/45/27/981614527.db2.gz XVHUGGRONKERPI-FQEVSTJZSA-N -1 3 403.438 3.823 20 0 HHADHM C[C@H](c1cccnc1)N(C)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436910455 981616122 /nfs/dbraw/zinc/61/61/22/981616122.db2.gz OCKNRTCTONLSFP-VGSWGCGISA-N -1 3 403.482 3.868 20 0 HHADHM O=C(NCC1(CCOCc2ccccc2)CC1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436917142 981622130 /nfs/dbraw/zinc/62/21/30/981622130.db2.gz ADSMFHQZNCAMLU-NRFANRHFSA-N -1 3 422.525 3.500 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCCc1cc(F)cc(F)c1 ZINC000436920294 981624370 /nfs/dbraw/zinc/62/43/70/981624370.db2.gz GKUGZLWIXMSUKC-JOCHJYFZSA-N -1 3 424.447 3.891 20 0 HHADHM O=C(Nc1ccc(F)c(N2C(=O)CNC2=O)c1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436921070 981625183 /nfs/dbraw/zinc/62/51/83/981625183.db2.gz RQHHLQHQYNNLNS-UHFFFAOYSA-N -1 3 421.384 3.632 20 0 HHADHM COc1ccc(C(=O)N2CCC(Oc3cccc(Br)c3)CC2)c([O-])c1 ZINC000436930813 981630140 /nfs/dbraw/zinc/63/01/40/981630140.db2.gz IQKGWDRCUCESCE-UHFFFAOYSA-N -1 3 406.276 3.847 20 0 HHADHM CC(C)Cn1ccnc1NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436934153 981632568 /nfs/dbraw/zinc/63/25/68/981632568.db2.gz RVZAPWLYPVJLFM-HXUWFJFHSA-N -1 3 406.486 3.745 20 0 HHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1cnc(-c2ccsc2)s1 ZINC000436943975 981636922 /nfs/dbraw/zinc/63/69/22/981636922.db2.gz IHDXJUSZRHLPOJ-UHFFFAOYSA-N -1 3 413.524 3.612 20 0 HHADHM O=C(Cc1c(Cl)cccc1Cl)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436944936 981637643 /nfs/dbraw/zinc/63/76/43/981637643.db2.gz OFXIOJCLJBKTPN-UHFFFAOYSA-N -1 3 407.297 3.663 20 0 HHADHM CC(C)(C)C[C@H](NC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1)C(F)(F)F ZINC000436958218 981647416 /nfs/dbraw/zinc/64/74/16/981647416.db2.gz DXXJNWJKOZWTPY-INIZCTEOSA-N -1 3 415.456 3.663 20 0 HHADHM CCCS(=O)(=O)Nc1cc(NC(=O)c2ccc3c(c2[O-])CCCC3)c(F)cc1F ZINC000436960177 981648713 /nfs/dbraw/zinc/64/87/13/981648713.db2.gz IWHKQNOYMZSTIC-UHFFFAOYSA-N -1 3 424.469 3.953 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C)CCc2ccc(Cl)cc2)c1 ZINC000436962860 981650225 /nfs/dbraw/zinc/65/02/25/981650225.db2.gz MTNYOOXJOHFLGA-UHFFFAOYSA-N -1 3 413.861 3.909 20 0 HHADHM Cc1nc2cc(Cl)c(NC(=O)NCCNC(=O)c3ccc([O-])cc3)cc2s1 ZINC000436965379 981652834 /nfs/dbraw/zinc/65/28/34/981652834.db2.gz UBSJBZQSAWEERP-UHFFFAOYSA-N -1 3 404.879 3.515 20 0 HHADHM O=C(N[C@H](Cc1ccccn1)c1ccc(Br)cc1)c1ccc(O)cc1[O-] ZINC000436966764 981653811 /nfs/dbraw/zinc/65/38/11/981653811.db2.gz NHQFKNWQMJIHMN-GOSISDBHSA-N -1 3 413.271 3.969 20 0 HHADHM CC(C)c1nc([C@@H]2COCCN2C(=O)c2cc(CCc3ccccc3)ccc2[O-])no1 ZINC000436968330 981654618 /nfs/dbraw/zinc/65/46/18/981654618.db2.gz SPPPHBSQXZHQCD-FQEVSTJZSA-N -1 3 421.497 3.898 20 0 HHADHM CCCCOc1ccc(C(=O)N2CCC(NC(=O)c3ccoc3C)CC2)c([O-])c1 ZINC000436971497 981657137 /nfs/dbraw/zinc/65/71/37/981657137.db2.gz KDNLMABUMHPZAI-UHFFFAOYSA-N -1 3 400.475 3.507 20 0 HHADHM CCCc1csc(NC(=O)Cc2csc(NC(=O)c3cc(C)ccc3[O-])n2)n1 ZINC000436983242 981666917 /nfs/dbraw/zinc/66/69/17/981666917.db2.gz WJNPXIUEKMFVCQ-UHFFFAOYSA-N -1 3 416.528 4.000 20 0 HHADHM CC(=O)Nc1cccc(NC(=O)Cc2csc(NC(=O)c3cc(C)ccc3[O-])n2)c1 ZINC000436983083 981666953 /nfs/dbraw/zinc/66/69/53/981666953.db2.gz VJHZIIPDYRYAGD-UHFFFAOYSA-N -1 3 424.482 3.549 20 0 HHADHM C[C@@H]1N(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCC12CCOCC2 ZINC000436993050 981673499 /nfs/dbraw/zinc/67/34/99/981673499.db2.gz XZVHPYGWCMLIFF-PGRDOPGGSA-N -1 3 422.525 3.671 20 0 HHADHM C[C@@H]1C[C@]2(CCO1)CN(C(=O)c1cc(CCc3ccccc3)ccc1[O-])C[C@H](C)O2 ZINC000436995605 981675006 /nfs/dbraw/zinc/67/50/06/981675006.db2.gz BIZGKQBCKMHBMF-HHJKRLRDSA-N -1 3 409.526 3.976 20 0 HHADHM COc1ccc([O-])c(-c2nc(Cc3cc(OC)c(OC)cc3Br)no2)c1 ZINC000436995786 981675133 /nfs/dbraw/zinc/67/51/33/981675133.db2.gz DWUVZJRGHWEONK-UHFFFAOYSA-N -1 3 421.247 3.821 20 0 HHADHM COc1cc(C(=O)NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)cc(Cl)c1[O-] ZINC000460189297 981963566 /nfs/dbraw/zinc/96/35/66/981963566.db2.gz VVKJMVUNVQLCRF-GASCZTMLSA-N -1 3 418.921 3.593 20 0 HHADHM C[C@H](NC(=O)NCc1ccc([O-])c(F)c1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000437418426 982059592 /nfs/dbraw/zinc/05/95/92/982059592.db2.gz KVDLPQKAEVUYDC-BTYIYWSLSA-N -1 3 402.466 3.656 20 0 HHADHM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)o1 ZINC000437465890 982096976 /nfs/dbraw/zinc/09/69/76/982096976.db2.gz HBUOAUXFVXMMRV-AAEUAGOBSA-N -1 3 416.952 3.581 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)CCC3CC3)c2)cc1 ZINC000437508910 982135196 /nfs/dbraw/zinc/13/51/96/982135196.db2.gz RTMSGOXEUTWNTC-UHFFFAOYSA-N -1 3 402.516 3.677 20 0 HHADHM COc1ccc(-n2c3ccccc3nc2NC(=O)CCc2c(C)nc(C)[n-]c2=O)cc1 ZINC000460396408 982176656 /nfs/dbraw/zinc/17/66/56/982176656.db2.gz AJQJHUOZUSZIED-UHFFFAOYSA-N -1 3 417.469 3.718 20 0 HHADHM O=S(=O)([N-]C1CC1)c1cc(-c2nc(-c3cccc(Cl)c3F)no2)ccc1F ZINC000460530296 982317533 /nfs/dbraw/zinc/31/75/33/982317533.db2.gz VEOLCXSSEOHIAR-UHFFFAOYSA-N -1 3 411.817 3.776 20 0 HHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CC[C@H]3Cc3ccccc3)nc(=O)c2c1C ZINC000437827072 982385418 /nfs/dbraw/zinc/38/54/18/982385418.db2.gz CTFURJGCBFPWNH-ZBFHGGJFSA-N -1 3 411.527 3.848 20 0 HHADHM C[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000438231903 982668973 /nfs/dbraw/zinc/66/89/73/982668973.db2.gz CPOAGPBZWLLQGW-HJPURHCSSA-N -1 3 406.482 3.583 20 0 HHADHM Cc1ccc(-c2nc([N-]C(=O)c3nc(C(C)C)n(-c4ccccc4F)n3)n[nH]2)cc1 ZINC000460998729 982716922 /nfs/dbraw/zinc/71/69/22/982716922.db2.gz GTDDYXZWATZPQQ-UHFFFAOYSA-N -1 3 405.437 3.876 20 0 HHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cn(-c4ccc(Cl)cc4)nc3C)nc21 ZINC000438355966 982742486 /nfs/dbraw/zinc/74/24/86/982742486.db2.gz JFNFVEHHDHRGAN-UHFFFAOYSA-N -1 3 409.833 3.749 20 0 HHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000461101484 982793510 /nfs/dbraw/zinc/79/35/10/982793510.db2.gz MGGXCIDCRPJEPQ-UHFFFAOYSA-N -1 3 401.392 3.624 20 0 HHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000461101484 982793512 /nfs/dbraw/zinc/79/35/12/982793512.db2.gz MGGXCIDCRPJEPQ-UHFFFAOYSA-N -1 3 401.392 3.624 20 0 HHADHM COC(C)(C)C[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000461203756 982918316 /nfs/dbraw/zinc/91/83/16/982918316.db2.gz XBHMIRKLQBHWRJ-AWEZNQCLSA-N -1 3 408.495 3.560 20 0 HHADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)[C@@H]2CCOc3ccc(Br)cc32)c1 ZINC000438642245 982960703 /nfs/dbraw/zinc/96/07/03/982960703.db2.gz PYWLZLVDANOMTR-MRXNPFEDSA-N -1 3 419.275 3.709 20 0 HHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CC4(CCC4(F)F)C3)c2)cc1 ZINC000461285219 982984930 /nfs/dbraw/zinc/98/49/30/982984930.db2.gz YTGBVRBCPKPWJU-UHFFFAOYSA-N -1 3 420.481 3.976 20 0 HHADHM O=C(c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)N1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000461314742 983011119 /nfs/dbraw/zinc/01/11/19/983011119.db2.gz BXVXJGABZXDULC-YJBOKZPZSA-N -1 3 422.403 3.600 20 0 HHADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Br)c2)cc1 ZINC000438724918 983026859 /nfs/dbraw/zinc/02/68/59/983026859.db2.gz NDXFAUBPBYCKQD-UHFFFAOYSA-N -1 3 418.284 3.804 20 0 HHADHM O=S(=O)([N-]c1ccc(O[C@@H]2CCOC2)cc1)c1ccc(F)c(Br)c1 ZINC000438776052 983064152 /nfs/dbraw/zinc/06/41/52/983064152.db2.gz MPZQGLXHISFNRL-CYBMUJFWSA-N -1 3 416.268 3.557 20 0 HHADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2Cl)c(Br)c1 ZINC000438790775 983072830 /nfs/dbraw/zinc/07/28/30/983072830.db2.gz ZTYUAKLQWMYZNP-UHFFFAOYSA-N -1 3 404.669 3.690 20 0 HHADHM COc1cc(Br)c(S(=O)(=O)[N-]c2c(C)cccc2F)cc1OC ZINC000461423486 983086226 /nfs/dbraw/zinc/08/62/26/983086226.db2.gz AZTQJTRKKVZLFN-UHFFFAOYSA-N -1 3 404.257 3.715 20 0 HHADHM Cc1ccc(C(=O)NCC2CC2)cc1[N-]S(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000438851619 983118222 /nfs/dbraw/zinc/11/82/22/983118222.db2.gz PPDNNWZVCJHJRD-UHFFFAOYSA-N -1 3 402.516 3.723 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NC[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000438924463 983156602 /nfs/dbraw/zinc/15/66/02/983156602.db2.gz XXPOALSQNWDURN-ZBFHGGJFSA-N -1 3 422.451 3.558 20 0 HHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C1CCN([C@@H](C)c2ccncc2)CC1 ZINC000438948001 983172495 /nfs/dbraw/zinc/17/24/95/983172495.db2.gz CHHQLSQHEOWIEI-HNNXBMFYSA-N -1 3 417.506 3.779 20 0 HHADHM CN(C)c1ccccc1CNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000439053971 983229989 /nfs/dbraw/zinc/22/99/89/983229989.db2.gz GCSJIYNNVVSKRJ-JOCHJYFZSA-N -1 3 417.509 3.636 20 0 HHADHM O=C(N[C@@H]1COc2c1ccc(Cl)c2Cl)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000439057926 983231166 /nfs/dbraw/zinc/23/11/66/983231166.db2.gz LUFHOICOQVZSPB-CABCVRRESA-N -1 3 421.280 3.554 20 0 HHADHM Cn1c2cc([O-])c(NC(=O)C[C@H](Cc3ccccc3)c3ccccc3)cc2n(C)c1=O ZINC000461612541 983239006 /nfs/dbraw/zinc/23/90/06/983239006.db2.gz INLFWRRHJFDAIM-IBGZPJMESA-N -1 3 415.493 3.938 20 0 HHADHM CCCn1c(C)c(C(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)c2cc(OC)ccc21 ZINC000461626970 983248456 /nfs/dbraw/zinc/24/84/56/983248456.db2.gz MXMAEFIDBQNANJ-UHFFFAOYSA-N -1 3 422.485 3.517 20 0 HHADHM CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000439816154 983549076 /nfs/dbraw/zinc/54/90/76/983549076.db2.gz NYSFPMVMMBQFCP-HXOBKFHXSA-N -1 3 418.541 3.604 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]c2ccc(=O)n(Cc3ccccc3Cl)c2)c(F)cc1F ZINC000440291349 983708626 /nfs/dbraw/zinc/70/86/26/983708626.db2.gz KXBAPGIYBQPEOE-UHFFFAOYSA-N -1 3 424.856 3.937 20 0 HHADHM CC(C)(C)c1nc2ccc(S(=O)(=O)[N-]c3cc(C(N)=O)ccc3F)cc2s1 ZINC000440301598 983711651 /nfs/dbraw/zinc/71/16/51/983711651.db2.gz DRAJQRLERQNZJC-UHFFFAOYSA-N -1 3 407.492 3.633 20 0 HHADHM CSc1ccc(-c2nsc(NC(=O)CCc3c(C)nc(C)[n-]c3=O)n2)cc1 ZINC000440462843 983766047 /nfs/dbraw/zinc/76/60/47/983766047.db2.gz FQXIQRFDFPVXPE-UHFFFAOYSA-N -1 3 401.517 3.611 20 0 HHADHM Cc1cc(=O)c(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)nn1-c1ccccc1F ZINC000440993757 984015228 /nfs/dbraw/zinc/01/52/28/984015228.db2.gz UIALPEAUNMQOCE-UHFFFAOYSA-N -1 3 407.323 3.657 20 0 HHADHM Cc1cc(Cl)ccc1NC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000441221362 984123119 /nfs/dbraw/zinc/12/31/19/984123119.db2.gz GTFMAMWJILEYCS-UHFFFAOYSA-N -1 3 420.293 3.541 20 0 HHADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2c(F)cccc2N2CCCC2)cc1Cl ZINC000441381725 984220641 /nfs/dbraw/zinc/22/06/41/984220641.db2.gz QYZNRNZNVFROBE-UHFFFAOYSA-N -1 3 412.870 3.667 20 0 HHADHM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Oc3nccc(C)n3)cc2)cc1 ZINC000441718793 984413367 /nfs/dbraw/zinc/41/33/67/984413367.db2.gz WQPPULLMMWWTHL-UHFFFAOYSA-N -1 3 412.471 3.727 20 0 HHADHM Cc1ccnc(Oc2cc(NC(=O)C(=O)NCc3ccc([O-])c(F)c3)ccc2C)c1 ZINC000441999072 984586462 /nfs/dbraw/zinc/58/64/62/984586462.db2.gz KVSCFNAHWLWXGT-UHFFFAOYSA-N -1 3 409.417 3.590 20 0 HHADHM CC(C)(C)[C@@H]1CCc2nc(NC(=O)NCc3nc(C(F)(F)F)n[n-]3)sc2C1 ZINC000442082675 984627699 /nfs/dbraw/zinc/62/76/99/984627699.db2.gz UCPJHOCYABLDBC-MRVPVSSYSA-N -1 3 402.446 3.753 20 0 HHADHM O=S(=O)([N-]C[C@H]1CCN(c2ccccc2F)C1)c1cc(Cl)ccc1Cl ZINC000462137997 985108673 /nfs/dbraw/zinc/10/86/73/985108673.db2.gz KNKKRLARGMZLJP-GFCCVEGCSA-N -1 3 403.306 3.937 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2CCOc3ccc(F)cc32)s1 ZINC000462138425 985109487 /nfs/dbraw/zinc/10/94/87/985109487.db2.gz KSIGLNBTNGKSBN-GFCCVEGCSA-N -1 3 406.298 3.760 20 0 HHADHM Cc1csc(CCCC[N-]S(=O)(=O)c2sc(C)cc2Br)n1 ZINC000462154030 985126809 /nfs/dbraw/zinc/12/68/09/985126809.db2.gz ZGWGDKBNZAYFAS-UHFFFAOYSA-N -1 3 409.396 3.885 20 0 HHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccncc1Oc1ccccc1 ZINC000442710986 985179104 /nfs/dbraw/zinc/17/91/04/985179104.db2.gz GBJDTESLGUBODD-UHFFFAOYSA-N -1 3 417.465 3.614 20 0 HHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000442722409 985185412 /nfs/dbraw/zinc/18/54/12/985185412.db2.gz OYTRNEOBBYVLEB-LLVKDONJSA-N -1 3 419.396 3.713 20 0 HHADHM O=S(=O)([N-][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1cnccc1C(F)(F)F ZINC000442734052 985192691 /nfs/dbraw/zinc/19/26/91/985192691.db2.gz DWWFYNYPOVLDNK-UKRRQHHQSA-N -1 3 406.813 3.562 20 0 HHADHM O=S(=O)([N-][C@@H]1CCC[C@@H]1OCc1ccccc1)c1cnccc1C(F)(F)F ZINC000442737914 985195029 /nfs/dbraw/zinc/19/50/29/985195029.db2.gz BFPPZAGSOHSIFG-CVEARBPZSA-N -1 3 400.422 3.517 20 0 HHADHM Cc1ccc([C@@H]2OCCC[C@H]2[N-]S(=O)(=O)c2cnccc2C(F)(F)F)cc1 ZINC000442739792 985197056 /nfs/dbraw/zinc/19/70/56/985197056.db2.gz TVOYEXAMKRIBCA-WBVHZDCISA-N -1 3 400.422 3.607 20 0 HHADHM CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)[N-][C@H](C)c2cc3ccccc3o2)c1 ZINC000442779543 985213096 /nfs/dbraw/zinc/21/30/96/985213096.db2.gz JCVZLYCHVNRQNC-GFCCVEGCSA-N -1 3 421.446 3.797 20 0 HHADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2Cl)c(OC)c1 ZINC000442822109 985228824 /nfs/dbraw/zinc/22/88/24/985228824.db2.gz CXTLYDFRYRXAIN-UHFFFAOYSA-N -1 3 413.879 3.723 20 0 HHADHM COc1cc(C(=O)NCc2ccccc2CN2C[C@@H](C)O[C@H](C)C2)cc(Cl)c1[O-] ZINC000442859854 985248831 /nfs/dbraw/zinc/24/88/31/985248831.db2.gz VRBDDMQNHADBBD-HUUCEWRRSA-N -1 3 418.921 3.593 20 0 HHADHM O=S(=O)([N-]CCN[C@H](c1ccccc1)c1ccccn1)c1ccc(Cl)cc1F ZINC000442889338 985262266 /nfs/dbraw/zinc/26/22/66/985262266.db2.gz JZYZAYKHSQUFMT-HXUWFJFHSA-N -1 3 419.909 3.532 20 0 HHADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCOc3c(F)ccc(F)c32)sc1Br ZINC000462284011 985272021 /nfs/dbraw/zinc/27/20/21/985272021.db2.gz PWZADLWXOUJNDV-SNVBAGLBSA-N -1 3 424.288 3.899 20 0 HHADHM C[C@@H](c1cccc(Cl)c1)N(C)S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000442918515 985279500 /nfs/dbraw/zinc/27/95/00/985279500.db2.gz HCVDSWFITNIYGV-JTQLQIEISA-N -1 3 412.302 3.555 20 0 HHADHM C[C@@H](c1cccc(Cl)c1)N(C)S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000442918515 985279504 /nfs/dbraw/zinc/27/95/04/985279504.db2.gz HCVDSWFITNIYGV-JTQLQIEISA-N -1 3 412.302 3.555 20 0 HHADHM COc1cc(C(=O)N2CCC(c3nnc(-c4ccccc4)[nH]3)CC2)cc(Cl)c1[O-] ZINC000442957055 985301398 /nfs/dbraw/zinc/30/13/98/985301398.db2.gz RGFUIZXOGFRXEA-UHFFFAOYSA-N -1 3 412.877 3.859 20 0 HHADHM O=C1[C@@H]([N-]S(=O)(=O)c2ccc(Cl)s2)CCCN1c1ccccc1Cl ZINC000462314898 985302515 /nfs/dbraw/zinc/30/25/15/985302515.db2.gz IMKCNJNMQKAUAH-NSHDSACASA-N -1 3 405.328 3.529 20 0 HHADHM COc1cc(C(=O)NCC2(N3CCOC(C)(C)C3)CCCCC2)cc(Cl)c1[O-] ZINC000442979445 985315191 /nfs/dbraw/zinc/31/51/91/985315191.db2.gz OOXNSDGIXAGJNP-UHFFFAOYSA-N -1 3 410.942 3.598 20 0 HHADHM CC[C@@](C)([N-]S(=O)(=O)c1cc(Br)ccc1F)c1nc(C)cs1 ZINC000462326653 985315680 /nfs/dbraw/zinc/31/56/80/985315680.db2.gz LTCNODNQMHOVIH-CQSZACIVSA-N -1 3 407.330 3.957 20 0 HHADHM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2ccc(C)c(Br)c2)o1 ZINC000462326952 985316867 /nfs/dbraw/zinc/31/68/67/985316867.db2.gz MYAZTYQJOFSPTP-HNNXBMFYSA-N -1 3 402.310 3.579 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@H]2CCCO[C@@H]2C(C)(C)C)s1 ZINC000462331892 985322758 /nfs/dbraw/zinc/32/27/58/985322758.db2.gz DONFJSLAZVEFCK-YPMHNXCESA-N -1 3 410.399 3.939 20 0 HHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H]1CCSc2ccc(Cl)cc21 ZINC000443026653 985342985 /nfs/dbraw/zinc/34/29/85/985342985.db2.gz MHEPAESZCRHXKC-CQSZACIVSA-N -1 3 415.895 3.781 20 0 HHADHM O=C1Cc2cc(S(=O)(=O)[N-]c3ccc(Oc4ccncc4)cc3)cc3c2N1CCC3 ZINC000462371736 985356520 /nfs/dbraw/zinc/35/65/20/985356520.db2.gz UXMUYWAHXVWWFL-UHFFFAOYSA-N -1 3 421.478 3.510 20 0 HHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C(C)(C)c1cccc(C(F)(F)F)c1 ZINC000443070393 985360702 /nfs/dbraw/zinc/36/07/02/985360702.db2.gz LGIQQAUEDZSZDA-UHFFFAOYSA-N -1 3 419.396 3.845 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cccc3c2CN([C@@H](C)C(C)C)C3)cc1OC ZINC000462377624 985361308 /nfs/dbraw/zinc/36/13/08/985361308.db2.gz BRQZHIQKKZOSPG-HNNXBMFYSA-N -1 3 404.532 3.865 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C(C)(c1ccccc1)c1ccccc1 ZINC000443070901 985361375 /nfs/dbraw/zinc/36/13/75/985361375.db2.gz RJAVAHXOFHBAMT-UHFFFAOYSA-N -1 3 413.470 3.854 20 0 HHADHM COC(=O)c1nscc1S(=O)(=O)[N-]Cc1ccccc1Sc1ccccc1 ZINC000443073792 985362586 /nfs/dbraw/zinc/36/25/86/985362586.db2.gz WUWBGDIWJSPXFH-UHFFFAOYSA-N -1 3 420.537 3.559 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C1(c2ccc(OC)cc2)CC1 ZINC000443078868 985365200 /nfs/dbraw/zinc/36/52/00/985365200.db2.gz IDYTXHDACNUHBD-UHFFFAOYSA-N -1 3 417.508 3.664 20 0 HHADHM CO[C@](C)(CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C)C1CC1 ZINC000462385419 985367291 /nfs/dbraw/zinc/36/72/91/985367291.db2.gz WXCWYZPFMYFNPN-JOCHJYFZSA-N -1 3 416.543 3.649 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](C)c1ccc(Cl)cc1Cl ZINC000443102729 985376561 /nfs/dbraw/zinc/37/65/61/985376561.db2.gz PRXZYQGHOZBARC-SECBINFHSA-N -1 3 406.262 3.959 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](C)c1cccc(Cl)c1Cl ZINC000443115810 985385409 /nfs/dbraw/zinc/38/54/09/985385409.db2.gz ZROBEKFOOXTZMQ-SECBINFHSA-N -1 3 406.262 3.959 20 0 HHADHM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc(-c3cccc(OC)c3)cc2)s1 ZINC000462423295 985395557 /nfs/dbraw/zinc/39/55/57/985395557.db2.gz XDVDPOGAFQFUMJ-UHFFFAOYSA-N -1 3 417.508 3.689 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](C)c2ccc3c(c2)OCO3)s1 ZINC000462430676 985401638 /nfs/dbraw/zinc/40/16/38/985401638.db2.gz UFOSWYRVKIRMLZ-VIFPVBQESA-N -1 3 404.307 3.587 20 0 HHADHM O=S(=O)([N-]Cc1cccnc1Oc1cccc(F)c1)c1cc(F)c(F)c(F)c1 ZINC000462440999 985407171 /nfs/dbraw/zinc/40/71/71/985407171.db2.gz UYVLBIYLOLZRAH-UHFFFAOYSA-N -1 3 412.364 3.909 20 0 HHADHM O=S(=O)([N-]Cc1ccc(O)cc1)c1ccc(Br)cc1C(F)(F)F ZINC000443153541 985412669 /nfs/dbraw/zinc/41/26/69/985412669.db2.gz MCBKLLMQJLWEKN-UHFFFAOYSA-N -1 3 410.211 3.652 20 0 HHADHM O=S(=O)([N-][C@@H](c1ccc(Cl)cc1)C1CC1)c1ccc(Br)cn1 ZINC000462449367 985413833 /nfs/dbraw/zinc/41/38/33/985413833.db2.gz VYAQJXLRKVVBJB-OAHLLOKOSA-N -1 3 401.713 3.927 20 0 HHADHM COC(=O)c1sc2[n-]c(CN3CC[C@@H](C)C4(CCCCC4)C3)nc(=O)c2c1C ZINC000462452995 985415843 /nfs/dbraw/zinc/41/58/43/985415843.db2.gz DDLUHHAVDVUFOL-CYBMUJFWSA-N -1 3 403.548 3.872 20 0 HHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccncc2OCC(F)F)c1Cl ZINC000443213095 985444951 /nfs/dbraw/zinc/44/49/51/985444951.db2.gz JADWMZZGDINMJQ-UHFFFAOYSA-N -1 3 411.257 3.819 20 0 HHADHM CC1(C)[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2Cl)[C@H]2CCCO[C@H]21 ZINC000462493789 985447247 /nfs/dbraw/zinc/44/72/47/985447247.db2.gz VRCMPOUEANQDTO-LERXQTSPSA-N -1 3 408.745 3.584 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H](c1ncc(C)s1)C1CC1 ZINC000443254836 985460241 /nfs/dbraw/zinc/46/02/41/985460241.db2.gz XNKVUZMDLNSIRR-CQSZACIVSA-N -1 3 422.553 3.882 20 0 HHADHM CC(C)(C)C[C@@H](O)C[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000443278182 985466959 /nfs/dbraw/zinc/46/69/59/985466959.db2.gz QIGNAAZWOMHIKY-SNVBAGLBSA-N -1 3 418.275 3.543 20 0 HHADHM CO[C@@H](C[N-]S(=O)(=O)c1cc(Br)ccc1Cl)c1ccccc1 ZINC000462573738 985521263 /nfs/dbraw/zinc/52/12/63/985521263.db2.gz DZTLWWWXIWBKID-AWEZNQCLSA-N -1 3 404.713 3.769 20 0 HHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000443375557 985535945 /nfs/dbraw/zinc/53/59/45/985535945.db2.gz SVMTYZRVAGWPQO-JTQLQIEISA-N -1 3 421.368 3.550 20 0 HHADHM Cc1ccc(Oc2ccc(Cl)cc2NC(=O)Cn2cc(Cl)c(=O)[n-]c2=O)cc1 ZINC000443403212 985556856 /nfs/dbraw/zinc/55/68/56/985556856.db2.gz AAXFTZOTXMBPQB-UHFFFAOYSA-N -1 3 420.252 3.995 20 0 HHADHM C[C@H](CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])c1ccc(C(F)(F)F)cc1 ZINC000443404810 985558902 /nfs/dbraw/zinc/55/89/02/985558902.db2.gz URYVMNREFOYOSN-RDTXWAMCSA-N -1 3 420.431 3.936 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](C)c2nc(C(C)(C)C)no2)s1 ZINC000462659779 985599695 /nfs/dbraw/zinc/59/96/95/985599695.db2.gz ISJJMAHMKLMEPY-QMMMGPOBSA-N -1 3 408.343 3.539 20 0 HHADHM COc1ccccc1-c1noc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2C)n1 ZINC000462660907 985600654 /nfs/dbraw/zinc/60/06/54/985600654.db2.gz SIKMPOPJQLJVIA-LBPRGKRZSA-N -1 3 407.879 3.747 20 0 HHADHM COc1cccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3ccc4c(c3)CCCC4)n2)c1 ZINC000462665058 985603819 /nfs/dbraw/zinc/60/38/19/985603819.db2.gz RMUQYSKNDFOSOB-CQSZACIVSA-N -1 3 413.499 3.664 20 0 HHADHM COc1cccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3ccc(Cl)cc3C)n2)c1 ZINC000462677384 985615992 /nfs/dbraw/zinc/61/59/92/985615992.db2.gz KYRLVSQHZLJPNZ-GFCCVEGCSA-N -1 3 407.879 3.747 20 0 HHADHM COc1cccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccc4ccccc4c3)n2)c1 ZINC000462686965 985626412 /nfs/dbraw/zinc/62/64/12/985626412.db2.gz UUMPAXLITFLEDG-AWEZNQCLSA-N -1 3 409.467 3.938 20 0 HHADHM CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(O[C@H](C)CC)cc3)ccc2O1 ZINC000443457711 985629282 /nfs/dbraw/zinc/62/92/82/985629282.db2.gz UJBQAQNHLCFWCN-JLTOFOAXSA-N -1 3 419.499 3.531 20 0 HHADHM CCC(=O)NCc1cc(S(=O)(=O)[N-]c2ccc(C(C)(C)C)cc2)ccc1OC ZINC000443469248 985644107 /nfs/dbraw/zinc/64/41/07/985644107.db2.gz WLKNGICJSIRROR-UHFFFAOYSA-N -1 3 404.532 3.820 20 0 HHADHM O=c1cc(C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c2ccccc2[nH]1 ZINC000443489697 985664904 /nfs/dbraw/zinc/66/49/04/985664904.db2.gz WHQGGPJPPALAKE-UHFFFAOYSA-N -1 3 400.353 3.577 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@H](C)Oc2ccc(C)cc2)s1 ZINC000462719083 985665713 /nfs/dbraw/zinc/66/57/13/985665713.db2.gz MEJKLHCDAJUTAB-NSHDSACASA-N -1 3 404.351 3.873 20 0 HHADHM CO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000462718642 985665800 /nfs/dbraw/zinc/66/58/00/985665800.db2.gz KJZHULHDXWKCDJ-VXGBXAGGSA-N -1 3 416.259 3.704 20 0 HHADHM Cc1nc(-c2ccc(S(=O)(=O)NCc3ccc([O-])c(Br)c3)cc2)co1 ZINC000443513204 985684788 /nfs/dbraw/zinc/68/47/88/985684788.db2.gz UTQVTDHACWZOND-UHFFFAOYSA-N -1 3 423.288 3.597 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)NCCc3nc4cc(F)ccc4[nH]3)cc2)cc(=O)[n-]1 ZINC000443542332 985713127 /nfs/dbraw/zinc/71/31/27/985713127.db2.gz MWBPDRDTYCOZCA-UHFFFAOYSA-N -1 3 406.421 3.537 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)Nc3ccc(OCC(C)(C)O)cc3)cc2)cc(=O)[n-]1 ZINC000443544830 985715111 /nfs/dbraw/zinc/71/51/11/985715111.db2.gz WTNLDGONFASOFG-UHFFFAOYSA-N -1 3 408.458 3.951 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)CCc2cncc3ccccc32)cc1OC ZINC000462936051 985873511 /nfs/dbraw/zinc/87/35/11/985873511.db2.gz MZJMHRDYMKQJDM-UHFFFAOYSA-N -1 3 413.499 3.576 20 0 HHADHM CC(C)(C)c1nnc(C[N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)s1 ZINC000443780887 985986975 /nfs/dbraw/zinc/98/69/75/985986975.db2.gz MDBKXIKLTSYZCN-UHFFFAOYSA-N -1 3 424.773 3.730 20 0 HHADHM COc1cc(NCC[N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)cc(OC)c1 ZINC000443782935 985988007 /nfs/dbraw/zinc/98/80/07/985988007.db2.gz QMYNNBLKVOAKBX-UHFFFAOYSA-N -1 3 419.330 3.709 20 0 HHADHM COc1cc(F)c([N-]C(=O)c2nnn(-c3cccc(F)c3)c2C(F)(F)F)cc1F ZINC000468381684 986081803 /nfs/dbraw/zinc/08/18/03/986081803.db2.gz IEDJABFETRHFFQ-UHFFFAOYSA-N -1 3 416.281 3.964 20 0 HHADHM O=C([N-]c1n[nH]c(-c2cc(Cl)ccc2Cl)n1)c1csc(-c2cnccn2)n1 ZINC000463160090 986131749 /nfs/dbraw/zinc/13/17/49/986131749.db2.gz HSIHININDMAVEG-UHFFFAOYSA-N -1 3 418.269 3.944 20 0 HHADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@@H](CC(F)(F)F)c1ccccc1C ZINC000443964816 986171932 /nfs/dbraw/zinc/17/19/32/986171932.db2.gz JHMDQPKLZXQMCC-HNNXBMFYSA-N -1 3 419.396 3.893 20 0 HHADHM O=C([N-]c1nnc(Cc2ccccc2F)s1)c1cn(-c2cccc(Cl)c2)nn1 ZINC000444007855 986204237 /nfs/dbraw/zinc/20/42/37/986204237.db2.gz COUOVNYXTAZFLL-UHFFFAOYSA-N -1 3 414.853 3.754 20 0 HHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)C1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000444009909 986204481 /nfs/dbraw/zinc/20/44/81/986204481.db2.gz KQBQXCPMMCDJCZ-UHFFFAOYSA-N -1 3 421.810 3.887 20 0 HHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)C1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000444009909 986204490 /nfs/dbraw/zinc/20/44/90/986204490.db2.gz KQBQXCPMMCDJCZ-UHFFFAOYSA-N -1 3 421.810 3.887 20 0 HHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(CN2CCCCC2)c1 ZINC000444030257 986225506 /nfs/dbraw/zinc/22/55/06/986225506.db2.gz DILQDTSYTXOJLJ-UHFFFAOYSA-N -1 3 422.934 3.913 20 0 HHADHM COCCOc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(C)cc1Br ZINC000468521801 986225874 /nfs/dbraw/zinc/22/58/74/986225874.db2.gz FUIHTPOMLUNFPB-UHFFFAOYSA-N -1 3 418.284 3.723 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)NC[C@@]3(O)CCC[C@@H](C(F)(F)F)C3)cc2)cc(=O)[n-]1 ZINC000444049373 986247361 /nfs/dbraw/zinc/24/73/61/986247361.db2.gz SHDJVXAHEHJTJT-AUUYWEPGSA-N -1 3 424.423 3.763 20 0 HHADHM C[C@H](C(=O)Nc1ccccc1[N-]S(C)(=O)=O)c1ccc(Br)s1 ZINC000463330784 986298407 /nfs/dbraw/zinc/29/84/07/986298407.db2.gz 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CC(C)(C)OC1CCN(C(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)CC1 ZINC000444290034 986477617 /nfs/dbraw/zinc/47/76/17/986477617.db2.gz GOVGPZRZQHPLME-UHFFFAOYSA-N -1 3 412.408 3.846 20 0 HHADHM O=C([N-]c1nc2cc3c(cc2s1)OC(F)(F)O3)c1cc(-c2ccccn2)no1 ZINC000468776082 986487833 /nfs/dbraw/zinc/48/78/33/986487833.db2.gz BBUYMBNWNLAHFO-UHFFFAOYSA-N -1 3 402.338 3.920 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000468790832 986502069 /nfs/dbraw/zinc/50/20/69/986502069.db2.gz BTUTUGBMLPBDCO-INIZCTEOSA-N -1 3 406.448 3.913 20 0 HHADHM O=C(c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)N1CC=C(C(F)(F)F)CC1 ZINC000444329414 986508635 /nfs/dbraw/zinc/50/86/35/986508635.db2.gz KCGYIMYPYOHVPT-UHFFFAOYSA-N -1 3 406.282 3.761 20 0 HHADHM Cc1ccc(NC(=O)[C@@H]2CCOC[C@@H]2C)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000444339953 986518602 /nfs/dbraw/zinc/51/86/02/986518602.db2.gz HFJOETRUYGLEPO-GOEBONIOSA-N -1 3 406.479 3.546 20 0 HHADHM O=C(c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)N1CCCCC[C@@H]1c1ncon1 ZINC000444369848 986546055 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ZINC000469079132 986791503 /nfs/dbraw/zinc/79/15/03/986791503.db2.gz XRQRSBOJGSLSDS-UHFFFAOYSA-N -1 3 404.257 3.715 20 0 HHADHM C[C@H](C(=O)Nc1cccc(NC(=O)CCCc2ccc([O-])c(F)c2)c1)n1cccn1 ZINC000469081247 986793483 /nfs/dbraw/zinc/79/34/83/986793483.db2.gz UNNXERXPZYFHCL-OAHLLOKOSA-N -1 3 410.449 3.889 20 0 HHADHM CN1C(=O)C[C@@H](NC(=O)CCCc2ccc([O-])c(F)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000469100072 986815770 /nfs/dbraw/zinc/81/57/70/986815770.db2.gz WTLLWPDACUWEJT-DYESRHJHSA-N -1 3 422.859 3.735 20 0 HHADHM O=C(C[C@@H]1COCCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1)c1cccs1 ZINC000444629333 986815845 /nfs/dbraw/zinc/81/58/45/986815845.db2.gz CTTPXWMOSCLEGL-CYBMUJFWSA-N -1 3 409.467 3.617 20 0 HHADHM CCOC(=O)c1nc(C2CCN(C(=O)c3sc4cccc(F)c4c3C)CC2)n[n-]1 ZINC000444664362 986847990 /nfs/dbraw/zinc/84/79/90/986847990.db2.gz NOGYPRQHLCKXOY-UHFFFAOYSA-N -1 3 416.478 3.663 20 0 HHADHM CCOC(=O)c1nnc(C2CCN(C(=O)c3sc4cccc(F)c4c3C)CC2)[n-]1 ZINC000444664362 986848003 /nfs/dbraw/zinc/84/80/03/986848003.db2.gz NOGYPRQHLCKXOY-UHFFFAOYSA-N -1 3 416.478 3.663 20 0 HHADHM Cc1ccc(C(=O)Nc2cncnc2)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000469162235 986886585 /nfs/dbraw/zinc/88/65/85/986886585.db2.gz ZOAQCSIXGKLEAO-UHFFFAOYSA-N -1 3 420.853 3.631 20 0 HHADHM COc1cccc(C(=O)c2ccc(C(=O)Nc3n[n-]c(-c4ccc(C)o4)n3)cc2)c1 ZINC000444742563 986908598 /nfs/dbraw/zinc/90/85/98/986908598.db2.gz JGXOHPUDMSGREQ-UHFFFAOYSA-N -1 3 402.410 3.865 20 0 HHADHM CCOC(=O)c1nc(C2CCN(C(=O)c3oc4c(cccc4Cl)c3C)CC2)n[n-]1 ZINC000444754014 986916239 /nfs/dbraw/zinc/91/62/39/986916239.db2.gz AYLBYHWGTPNZQT-UHFFFAOYSA-N -1 3 416.865 3.709 20 0 HHADHM CCOC(=O)c1nnc(C2CCN(C(=O)c3oc4c(cccc4Cl)c3C)CC2)[n-]1 ZINC000444754014 986916246 /nfs/dbraw/zinc/91/62/46/986916246.db2.gz AYLBYHWGTPNZQT-UHFFFAOYSA-N -1 3 416.865 3.709 20 0 HHADHM O=c1[n-]c(CN2CCC(CO)(Cc3ccccc3)CC2)nc2c3ccccc3oc21 ZINC000444784072 986940729 /nfs/dbraw/zinc/94/07/29/986940729.db2.gz MSUQAFRPJKYGAW-UHFFFAOYSA-N -1 3 403.482 3.899 20 0 HHADHM CC(C)N(Cc1nc2c3ccccc3oc2c(=O)[n-]1)C[C@H](O)COc1ccccc1 ZINC000444796168 986951363 /nfs/dbraw/zinc/95/13/63/986951363.db2.gz BACCXJGQJMECSU-INIZCTEOSA-N -1 3 407.470 3.732 20 0 HHADHM COCCOc1ccc(F)cc1S(=O)(=O)[N-][C@H](C)c1ccccc1C(F)(F)F ZINC000469272432 986991109 /nfs/dbraw/zinc/99/11/09/986991109.db2.gz MIWDKDQCDZVJOX-GFCCVEGCSA-N -1 3 421.412 3.909 20 0 HHADHM COCCOc1ccc(F)cc1S(=O)(=O)[N-][C@@H](C)c1ccccc1C(F)(F)F ZINC000469272457 986991332 /nfs/dbraw/zinc/99/13/32/986991332.db2.gz MIWDKDQCDZVJOX-LBPRGKRZSA-N -1 3 421.412 3.909 20 0 HHADHM Cc1ccc(CNC(=O)C2CCN(C(=O)CCCc3ccc([O-])c(F)c3)CC2)cc1 ZINC000469415338 987105703 /nfs/dbraw/zinc/10/57/03/987105703.db2.gz CNPKXQAVACFALW-UHFFFAOYSA-N -1 3 412.505 3.717 20 0 HHADHM CCOC(=O)c1nc(C2CCN(C(=O)N[C@@H](c3ccccc3C)C(C)C)CC2)n[n-]1 ZINC000445078229 987195633 /nfs/dbraw/zinc/19/56/33/987195633.db2.gz FTAGBUUNGQKHKR-GOSISDBHSA-N -1 3 413.522 3.576 20 0 HHADHM CCOC(=O)c1nnc(C2CCN(C(=O)N[C@@H](c3ccccc3C)C(C)C)CC2)[n-]1 ZINC000445078229 987195639 /nfs/dbraw/zinc/19/56/39/987195639.db2.gz FTAGBUUNGQKHKR-GOSISDBHSA-N -1 3 413.522 3.576 20 0 HHADHM O=C([N-]c1n[nH]c(-c2ccc(Br)cc2)n1)c1ccoc1Br ZINC000445173567 987258248 /nfs/dbraw/zinc/25/82/48/987258248.db2.gz PFIWGOLMZYTXLJ-UHFFFAOYSA-N -1 3 412.041 3.842 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)NCCc1ccc(OCC(F)(F)F)nc1 ZINC000469634451 987294129 /nfs/dbraw/zinc/29/41/29/987294129.db2.gz VLYPJEDJYCDKEA-UHFFFAOYSA-N -1 3 400.372 3.549 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N(C)[C@H](C)Cc2ccccc2C)cc1OC ZINC000445239028 987298543 /nfs/dbraw/zinc/29/85/43/987298543.db2.gz LZDULFANWPPDAE-MRXNPFEDSA-N -1 3 419.547 3.860 20 0 HHADHM Cc1cccnc1CNC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000469662916 987320056 /nfs/dbraw/zinc/32/00/56/987320056.db2.gz UEONMTKFXNYBCO-UHFFFAOYSA-N -1 3 406.667 3.577 20 0 HHADHM CN(Cc1ccc(O)cc1)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000469708506 987364213 /nfs/dbraw/zinc/36/42/13/987364213.db2.gz SLLMMQGMKBPUHA-UHFFFAOYSA-N -1 3 421.678 3.922 20 0 HHADHM C[C@H]1SCCN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)[C@@H]1C ZINC000469708977 987365277 /nfs/dbraw/zinc/36/52/77/987365277.db2.gz BWKUMJOXJUWQPO-RKDXNWHRSA-N -1 3 415.740 3.910 20 0 HHADHM Cc1cc(=O)[n-]c([C@H](C)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n1 ZINC000469735222 987385521 /nfs/dbraw/zinc/38/55/21/987385521.db2.gz FNXQXYFNQCEHNJ-JTQLQIEISA-N -1 3 402.804 3.794 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCOC[C@H]1c1noc(-c2ccccc2)n1 ZINC000469796727 987439798 /nfs/dbraw/zinc/43/97/98/987439798.db2.gz HOCDXSSBNVAAFU-SFHVURJKSA-N -1 3 411.433 3.504 20 0 HHADHM CCOc1cc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3ccc(Cl)cc3)n2)ccc1O ZINC000445429163 987500074 /nfs/dbraw/zinc/50/00/74/987500074.db2.gz ZTQNDCLOKHDPJR-LLVKDONJSA-N -1 3 423.878 3.534 20 0 HHADHM Cc1cc(CC(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)n[nH]1 ZINC000445647718 987721929 /nfs/dbraw/zinc/72/19/29/987721929.db2.gz AHINPWZRYMMFCD-UHFFFAOYSA-N -1 3 418.906 3.662 20 0 HHADHM Cc1cc(CC(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)n[nH]1 ZINC000445652189 987724435 /nfs/dbraw/zinc/72/44/35/987724435.db2.gz HBVCNJRFCJMXSS-UHFFFAOYSA-N -1 3 418.906 3.662 20 0 HHADHM O=S(=O)([N-]Cc1ccc(OCCOc2ccc(Cl)cc2)cc1)c1ccco1 ZINC000445718263 987783917 /nfs/dbraw/zinc/78/39/17/987783917.db2.gz OYPCBMOTOGJBEY-UHFFFAOYSA-N -1 3 407.875 3.869 20 0 HHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(O)c2C)cc1Br ZINC000470436689 988406816 /nfs/dbraw/zinc/40/68/16/988406816.db2.gz PQPRFWNONYXZDQ-UHFFFAOYSA-N -1 3 400.294 3.971 20 0 HHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C[C@@H]1CCN(CC(F)(F)F)C1 ZINC000470596757 988612208 /nfs/dbraw/zinc/61/22/08/988612208.db2.gz AUCQHJIOWFQMDP-NSHDSACASA-N -1 3 410.845 3.557 20 0 HHADHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N1CCCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000470602883 988621570 /nfs/dbraw/zinc/62/15/70/988621570.db2.gz RDMVWXOTDXNRGZ-KRWDZBQOSA-N -1 3 402.372 3.956 20 0 HHADHM O=S(=O)([N-]Cc1nnc(-c2ccccc2)s1)c1cc(C(F)(F)F)ccc1F ZINC000470613431 988631024 /nfs/dbraw/zinc/63/10/24/988631024.db2.gz OISDVJBFLIAGRP-UHFFFAOYSA-N -1 3 417.409 3.842 20 0 HHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H]1CCC[C@H](C(=O)NC(C)C)C1 ZINC000470630236 988643822 /nfs/dbraw/zinc/64/38/22/988643822.db2.gz YNDHMHVUELRELE-ZFWWWQNUSA-N -1 3 412.939 3.756 20 0 HHADHM O=c1[n-]c(SCc2nc(-c3cccs3)n[nH]2)nc2c1cnn2-c1ccccc1 ZINC000470900360 988974654 /nfs/dbraw/zinc/97/46/54/988974654.db2.gz AVXIMYNGBJHDGE-UHFFFAOYSA-N -1 3 407.484 3.660 20 0 HHADHM CC[C@@H]1CC[C@@H](C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccc(OC)cc3)c2)O1 ZINC000464864078 989120848 /nfs/dbraw/zinc/12/08/48/989120848.db2.gz FPGSBWWHEVHLOS-MJGOQNOKSA-N -1 3 418.515 3.701 20 0 HHADHM O=C([N-]c1nnc(C(F)(F)F)s1)c1c(F)cccc1I ZINC000471147329 989259962 /nfs/dbraw/zinc/25/99/62/989259962.db2.gz DALFDYSFVKYWLJ-UHFFFAOYSA-N -1 3 417.125 3.553 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3C[C@@H]4CCC[C@H]4C3)ccc2C)cc1 ZINC000465082027 989402800 /nfs/dbraw/zinc/40/28/00/989402800.db2.gz BUGPBVPXEKZKMY-ROUUACIJSA-N -1 3 414.527 3.677 20 0 HHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCc2cccc(Br)c2C1 ZINC000465097671 989422148 /nfs/dbraw/zinc/42/21/48/989422148.db2.gz XSXKZCAWPHYKJU-UHFFFAOYSA-N -1 3 404.308 3.749 20 0 HHADHM O=C(Cc1ccc(NC(=O)NCc2ncccc2[O-])cc1)N1CCCc2ccccc21 ZINC000471288424 989445631 /nfs/dbraw/zinc/44/56/31/989445631.db2.gz OFTGUROMICFRJV-UHFFFAOYSA-N -1 3 416.481 3.631 20 0 HHADHM CO[C@]1(C)C[C@@H](NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)C1(C)C ZINC000465270977 989628278 /nfs/dbraw/zinc/62/82/78/989628278.db2.gz UUHYMBFZWNPWIB-WIYYLYMNSA-N -1 3 420.506 3.560 20 0 HHADHM O=C(NCc1ncccc1[O-])N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000471605883 989810491 /nfs/dbraw/zinc/81/04/91/989810491.db2.gz LAOMHPIKTXAVIK-IBGZPJMESA-N -1 3 405.433 3.517 20 0 HHADHM C[C@H](NC(=O)NCc1ncccc1[O-])c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000471690478 989893348 /nfs/dbraw/zinc/89/33/48/989893348.db2.gz ZHGMSTKGMIGIJC-AWEZNQCLSA-N -1 3 408.433 3.739 20 0 HHADHM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1cc2c(cc1F)CCC(=O)N2 ZINC000471903994 990073426 /nfs/dbraw/zinc/07/34/26/990073426.db2.gz YXBIYVLPXVPGOV-UHFFFAOYSA-N -1 3 413.268 3.582 20 0 HHADHM COC(=O)c1cc(F)c(C)c(S(=O)(=O)[N-]c2cc(Br)ccc2F)c1 ZINC000471904223 990073786 /nfs/dbraw/zinc/07/37/86/990073786.db2.gz AVZZEMRYSJBMRK-UHFFFAOYSA-N -1 3 420.231 3.623 20 0 HHADHM O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)c1cc([O-])c2ccccc2c1 ZINC000471938702 990102814 /nfs/dbraw/zinc/10/28/14/990102814.db2.gz FRLMZWJHKHNGHX-UHFFFAOYSA-N -1 3 424.522 3.650 20 0 HHADHM COc1ccc([C@H](NCc2cc([O-])cc(F)c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000472064629 990226812 /nfs/dbraw/zinc/22/68/12/990226812.db2.gz STLXLAKDAADOOY-QFIPXVFZSA-N -1 3 415.486 3.823 20 0 HHADHM CS(=O)(=O)c1cccc([C@@H](NCc2cc([O-])cc(F)c2)c2ccc(F)cc2)c1 ZINC000472080777 990239228 /nfs/dbraw/zinc/23/92/28/990239228.db2.gz SUHXKGLYDXZMHP-NRFANRHFSA-N -1 3 403.450 3.953 20 0 HHADHM CS(=O)(=O)c1cccc([C@H](NCc2cc([O-])cc(F)c2)c2ccc(F)cc2)c1 ZINC000472080778 990239401 /nfs/dbraw/zinc/23/94/01/990239401.db2.gz SUHXKGLYDXZMHP-OAQYLSRUSA-N -1 3 403.450 3.953 20 0 HHADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(Br)c(F)cc2F)cc1C ZINC000466465562 991756477 /nfs/dbraw/zinc/75/64/77/991756477.db2.gz MYGGXTLXSVYEPQ-UHFFFAOYSA-N -1 3 420.231 3.623 20 0 HHADHM COC(=O)c1ccc(C(C)C)c([N-]S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)c1 ZINC000466475302 991766762 /nfs/dbraw/zinc/76/67/62/991766762.db2.gz SOYLXEYFUORNMM-BTYIYWSLSA-N -1 3 407.532 3.734 20 0 HHADHM COC[C@H]1CCCCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)C1 ZINC000466831303 992140645 /nfs/dbraw/zinc/14/06/45/992140645.db2.gz MHEKRYKOEBXARZ-INIZCTEOSA-N -1 3 420.506 3.515 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2C=CCCC2)c(Br)c1 ZINC000467132741 992449860 /nfs/dbraw/zinc/44/98/60/992449860.db2.gz ZLCNFKYSJMJMEO-SNVBAGLBSA-N -1 3 409.143 3.907 20 0 HHADHM CCC(CC)c1cc(C[N-]S(=O)(=O)c2ccc(-n3cc(C)cn3)c(F)c2)on1 ZINC000467133763 992450675 /nfs/dbraw/zinc/45/06/75/992450675.db2.gz MYSXPJOHIHDUDK-UHFFFAOYSA-N -1 3 406.483 3.690 20 0 HHADHM CCOC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000467696581 992953450 /nfs/dbraw/zinc/95/34/50/992953450.db2.gz ODVYUNRAAVJZHT-SFHVURJKSA-N -1 3 407.869 3.798 20 0 HHADHM COc1cccc(C2(F)CCN(C(=O)c3c(C)nc(C(C)(C)C)[n-]c3=O)CC2)c1 ZINC000467723386 992977120 /nfs/dbraw/zinc/97/71/20/992977120.db2.gz OEVXCPJZWJVWCI-UHFFFAOYSA-N -1 3 401.482 3.898 20 0 HHADHM O=C(NC[C@@H](O)COc1ccc(C(F)(F)F)cc1)c1cc([O-])c2ccccc2c1 ZINC000472302608 993315274 /nfs/dbraw/zinc/31/52/74/993315274.db2.gz CQRGJETUPHZBSH-MRXNPFEDSA-N -1 3 405.372 3.734 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2ncoc2-c2ccccc2)s1 ZINC000472315930 993327509 /nfs/dbraw/zinc/32/75/09/993327509.db2.gz VPGUBMVOEWHQAT-UHFFFAOYSA-N -1 3 413.318 3.953 20 0 HHADHM Cc1nc(C[N-]S(=O)(=O)c2cccc3c2OCCO3)oc1-c1ccc(Cl)cc1 ZINC000472356392 993356206 /nfs/dbraw/zinc/35/62/06/993356206.db2.gz QTENIGMQBYDSNU-UHFFFAOYSA-N -1 3 420.874 3.553 20 0 HHADHM C[C@@H]([N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1)c1nc(Cc2ccccc2)no1 ZINC000480767665 993632647 /nfs/dbraw/zinc/63/26/47/993632647.db2.gz UBDAFNIBGDRQHB-GFCCVEGCSA-N -1 3 409.870 3.634 20 0 HHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCc3cnn(C(C)C)c3C2)c1Cl ZINC000480852559 993724562 /nfs/dbraw/zinc/72/45/62/993724562.db2.gz INHJCVAWXUWKQY-ZDUSSCGKSA-N -1 3 402.347 3.915 20 0 HHADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCc2ccc(C3CC3)cc2)cc1 ZINC000480856492 993729012 /nfs/dbraw/zinc/72/90/12/993729012.db2.gz ZCMDUOJFOFXFHR-UHFFFAOYSA-N -1 3 422.572 3.584 20 0 HHADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCCc3c(O)cccc32)sc1Br ZINC000480864644 993736314 /nfs/dbraw/zinc/73/63/14/993736314.db2.gz IMHWGRMNFAQORA-GFCCVEGCSA-N -1 3 402.335 3.881 20 0 HHADHM O=S(=O)([N-]C[C@@H]1CCC2(CCCCC2)O1)c1cc(F)ccc1Br ZINC000480902808 993759349 /nfs/dbraw/zinc/75/93/49/993759349.db2.gz WABKXZYNRKLPLQ-ZDUSSCGKSA-N -1 3 406.317 3.748 20 0 HHADHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(CC(F)(F)F)cc1)c1nc(C2CC2)no1 ZINC000481027549 993871554 /nfs/dbraw/zinc/87/15/54/993871554.db2.gz VXHUGHXGONYUIQ-AWEZNQCLSA-N -1 3 403.426 3.727 20 0 HHADHM CCN(C(=O)CS(=O)(=O)[N-]c1ccc(OC(C)C)cc1)c1ccc2[nH]ccc2c1 ZINC000472981648 993914494 /nfs/dbraw/zinc/91/44/94/993914494.db2.gz XAINSPHJOKKVAN-UHFFFAOYSA-N -1 3 415.515 3.750 20 0 HHADHM O=C(C[C@@H]1COCCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1)c1ccccc1 ZINC000473041683 993959945 /nfs/dbraw/zinc/95/99/45/993959945.db2.gz OCMRGRRKVKLGFE-MRXNPFEDSA-N -1 3 403.438 3.555 20 0 HHADHM C[C@@H]1CN(Cc2csc([N-]C(=O)c3c(F)c(F)cc(F)c3F)n2)C[C@H](C)O1 ZINC000481308217 994125681 /nfs/dbraw/zinc/12/56/81/994125681.db2.gz FWSGILFIXBIAJK-DTORHVGOSA-N -1 3 403.401 3.561 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3scnc3C)ccc2C)cc1 ZINC000473284481 994132972 /nfs/dbraw/zinc/13/29/72/994132972.db2.gz RSOAPLJWBAFRMD-UHFFFAOYSA-N -1 3 417.512 3.822 20 0 HHADHM Cc1ccsc1-c1nc(=NC(=O)N(C)CCCN(C)Cc2ccco2)s[n-]1 ZINC000481356758 994181481 /nfs/dbraw/zinc/18/14/81/994181481.db2.gz CHUIKUYLKYQDKA-UHFFFAOYSA-N -1 3 405.549 3.576 20 0 HHADHM Cc1ccsc1-c1nc(=NC(=O)N[C@H](CN(C)C)c2ccc(F)cc2)s[n-]1 ZINC000481393463 994223922 /nfs/dbraw/zinc/22/39/22/994223922.db2.gz RKJMEPXIKFVMJA-CQSZACIVSA-N -1 3 405.524 3.560 20 0 HHADHM C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC000473386981 994242713 /nfs/dbraw/zinc/24/27/13/994242713.db2.gz IPIHSLBAHYKSAK-LDYMZIIASA-N -1 3 408.298 3.840 20 0 HHADHM Cc1nc(CC(C)C)c(NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)s1 ZINC000473406599 994260043 /nfs/dbraw/zinc/26/00/43/994260043.db2.gz MNMRUDGWQCOEPQ-UHFFFAOYSA-N -1 3 411.531 3.675 20 0 HHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cccc(CCC(=O)OC(C)(C)C)c1 ZINC000473407761 994260718 /nfs/dbraw/zinc/26/07/18/994260718.db2.gz JQAVTVFGXNMLDS-UHFFFAOYSA-N -1 3 403.504 3.739 20 0 HHADHM COC(=O)[C@H](C)[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1ccccc1 ZINC000481448695 994284941 /nfs/dbraw/zinc/28/49/41/994284941.db2.gz VIEKTWGSZUCPGN-IAQYHMDHSA-N -1 3 402.299 3.822 20 0 HHADHM COc1ccc([O-])c(S(=O)(=O)Nc2cnn(-c3ccc(Cl)cc3Cl)c2)c1 ZINC000473435041 994285851 /nfs/dbraw/zinc/28/58/51/994285851.db2.gz QQGZVPVHIKDKGY-UHFFFAOYSA-N -1 3 414.270 3.694 20 0 HHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc(NC(=O)N(C)C)cc2)c1Cl ZINC000481461884 994296330 /nfs/dbraw/zinc/29/63/30/994296330.db2.gz BXTPDCHPYHTDIT-UHFFFAOYSA-N -1 3 416.330 3.874 20 0 HHADHM C[C@H](c1ccccc1)[C@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000473545957 994406785 /nfs/dbraw/zinc/40/67/85/994406785.db2.gz VMCKLOJDGRVCST-GJZGRUSLSA-N -1 3 415.490 3.877 20 0 HHADHM CNS(=O)(=O)c1cccc([N-]S(=O)(=O)c2c(C)cc(C(C)(C)C)cc2C)c1C ZINC000481586533 994430471 /nfs/dbraw/zinc/43/04/71/994430471.db2.gz LQRRBCRYPLARQV-UHFFFAOYSA-N -1 3 424.588 3.618 20 0 HHADHM O=C(NCc1ncccc1[O-])c1cc(I)c(Cl)cc1Cl ZINC000473637513 994518740 /nfs/dbraw/zinc/51/87/40/994518740.db2.gz KXILKZLVAYHHIT-UHFFFAOYSA-N -1 3 423.037 3.629 20 0 HHADHM O=C(NCc1ncccc1[O-])c1ccc(Oc2cccc(Br)c2)nc1 ZINC000473640192 994522128 /nfs/dbraw/zinc/52/21/28/994522128.db2.gz RXZMGYZSMSVVQZ-UHFFFAOYSA-N -1 3 400.232 3.667 20 0 HHADHM O=C(NCc1ncccc1[O-])c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000473646046 994529859 /nfs/dbraw/zinc/52/98/59/994529859.db2.gz YHRUSJQIAFALAZ-UHFFFAOYSA-N -1 3 419.525 3.550 20 0 HHADHM CS(=O)(=O)c1ccc2nc([N-]C(=O)c3c(F)c(F)cc(F)c3F)sc2c1 ZINC000481742397 994597545 /nfs/dbraw/zinc/59/75/45/994597545.db2.gz YOSVVWNLBYJLAD-UHFFFAOYSA-N -1 3 404.366 3.509 20 0 HHADHM CO[C@@]1(C)CCCN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)C1 ZINC000473828433 994758690 /nfs/dbraw/zinc/75/86/90/994758690.db2.gz JXOTVJMVXADHBQ-KRWDZBQOSA-N -1 3 413.699 3.585 20 0 HHADHM Cc1ccsc1-c1nc(=NC(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)s[n-]1 ZINC000473834785 994767714 /nfs/dbraw/zinc/76/77/14/994767714.db2.gz BBGLSLIINMUXOW-GOEBONIOSA-N -1 3 413.572 3.954 20 0 HHADHM Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000473885982 994835355 /nfs/dbraw/zinc/83/53/55/994835355.db2.gz OLJLYLMSSLIJOW-UHFFFAOYSA-N -1 3 408.462 3.538 20 0 HHADHM Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000473885982 994835361 /nfs/dbraw/zinc/83/53/61/994835361.db2.gz OLJLYLMSSLIJOW-UHFFFAOYSA-N -1 3 408.462 3.538 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]Cc2cccc(C(=O)NCc3ccco3)c2)sc1Cl ZINC000473900187 994858387 /nfs/dbraw/zinc/85/83/87/994858387.db2.gz FUSIOACVOBUFQN-UHFFFAOYSA-N -1 3 424.931 3.711 20 0 HHADHM CCOc1ccc(-c2nc(C)c(C(=O)Nc3ccc(Cc4nnn[n-]4)cc3)s2)cc1 ZINC000473904858 994865948 /nfs/dbraw/zinc/86/59/48/994865948.db2.gz VLKYJXZHWYCFLN-UHFFFAOYSA-N -1 3 420.498 3.873 20 0 HHADHM CCOc1ccc(-c2nc(C)c(C(=O)Nc3ccc(Cc4nn[n-]n4)cc3)s2)cc1 ZINC000473904858 994865962 /nfs/dbraw/zinc/86/59/62/994865962.db2.gz VLKYJXZHWYCFLN-UHFFFAOYSA-N -1 3 420.498 3.873 20 0 HHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1cccc(COc2cccc(F)c2)c1 ZINC000473930425 994901671 /nfs/dbraw/zinc/90/16/71/994901671.db2.gz BMXMXVRHTIVJDZ-UHFFFAOYSA-N -1 3 403.417 3.761 20 0 HHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1cccc(COc2cccc(F)c2)c1 ZINC000473930425 994901683 /nfs/dbraw/zinc/90/16/83/994901683.db2.gz BMXMXVRHTIVJDZ-UHFFFAOYSA-N -1 3 403.417 3.761 20 0 HHADHM COC[C@@H]([N-]S(=O)(=O)c1c(C)cc(Br)cc1C)c1ccc(C)o1 ZINC000474181334 995170991 /nfs/dbraw/zinc/17/09/91/995170991.db2.gz GLBARFKZHKRKIT-CQSZACIVSA-N -1 3 402.310 3.633 20 0 HHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000474350714 995330276 /nfs/dbraw/zinc/33/02/76/995330276.db2.gz KWSIRIGPHGHREF-UHFFFAOYSA-N -1 3 400.485 3.779 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H]1CCOc2c(C)cccc21 ZINC000474388574 995363941 /nfs/dbraw/zinc/36/39/41/995363941.db2.gz FXYZIGJWVFAHSG-OAHLLOKOSA-N -1 3 417.508 3.798 20 0 HHADHM Cc1ncc(CNC(=O)N[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)c(=O)[n-]1 ZINC000482420632 995410132 /nfs/dbraw/zinc/41/01/32/995410132.db2.gz JSFQQYWMJBENPE-LBPRGKRZSA-N -1 3 408.302 3.612 20 0 HHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@H](c1ccc(F)cc1)C(F)(F)F ZINC000482480703 995486526 /nfs/dbraw/zinc/48/65/26/995486526.db2.gz CWJWGMSFOUTSHO-QGZVFWFLSA-N -1 3 420.366 3.654 20 0 HHADHM Cc1nc(C)c(CC(=O)N2CCSC[C@@H]2c2cccc(C(F)(F)F)c2)c(=O)[n-]1 ZINC000474646276 995592394 /nfs/dbraw/zinc/59/23/94/995592394.db2.gz IYVLVLATGJFECP-MRXNPFEDSA-N -1 3 411.449 3.677 20 0 HHADHM C[C@H](NC(=O)NCc1ccc([O-])c(Br)c1)[C@@H]1Oc2ccccc2[C@@H]1C 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ZINC000476314053 996749096 /nfs/dbraw/zinc/74/90/96/996749096.db2.gz WXFJATURUXPYHT-CQSZACIVSA-N -1 3 407.330 3.957 20 0 HHADHM C[C@H]([N-]S(=O)(=O)c1ccc2ncsc2c1)c1nc(-c2cccc(F)c2)no1 ZINC000476329730 996760235 /nfs/dbraw/zinc/76/02/35/996760235.db2.gz WISRIUPCBFGFLC-JTQLQIEISA-N -1 3 404.448 3.525 20 0 HHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1cc(F)c(Br)cc1Cl ZINC000476331078 996761030 /nfs/dbraw/zinc/76/10/30/996761030.db2.gz HPUIHWCMJPXEII-UHFFFAOYSA-N -1 3 410.634 3.598 20 0 HHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1cc(F)c(Br)cc1Cl ZINC000476331078 996761033 /nfs/dbraw/zinc/76/10/33/996761033.db2.gz HPUIHWCMJPXEII-UHFFFAOYSA-N -1 3 410.634 3.598 20 0 HHADHM CN(C)Cc1ccnc([N-]S(=O)(=O)c2ccc(OCC3CCCCC3)cc2)c1 ZINC000484441326 996765530 /nfs/dbraw/zinc/76/55/30/996765530.db2.gz IDHTVNRZZQMJTP-UHFFFAOYSA-N -1 3 403.548 3.903 20 0 HHADHM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C(C)C)cc1)c1ccc(OC)c(F)c1 ZINC000476564110 997058743 /nfs/dbraw/zinc/05/87/43/997058743.db2.gz AKOIZGIGIJDRAU-IBGZPJMESA-N -1 3 409.479 3.540 20 0 HHADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@H](C)c2ccc(C(F)(F)F)cc2)s1 ZINC000484762930 997105590 /nfs/dbraw/zinc/10/55/90/997105590.db2.gz PFXWPELLXRLIBV-SECBINFHSA-N -1 3 423.434 3.602 20 0 HHADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@H](C)CC(C)(C)c2ccccc2)s1 ZINC000484774234 997120592 /nfs/dbraw/zinc/12/05/92/997120592.db2.gz DRNJQADVOWCYOB-CYBMUJFWSA-N -1 3 411.545 3.578 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N[C@@H](C)[C@@H](C)c3ccccc3)c2)n1 ZINC000476615070 997130648 /nfs/dbraw/zinc/13/06/48/997130648.db2.gz YJXHRKACCQVEFO-CVEARBPZSA-N -1 3 418.497 3.659 20 0 HHADHM Cc1c(C(=O)[N-]c2nc(-c3cccs3)ns2)nnn1Cc1ccc(F)cc1F ZINC000484787399 997136864 /nfs/dbraw/zinc/13/68/64/997136864.db2.gz IMYGGWDPPNBSKM-UHFFFAOYSA-N -1 3 418.454 3.745 20 0 HHADHM O=C([N-]c1nnc(CC(F)(F)F)s1)c1cnn2c1nccc2-c1ccccc1 ZINC000484953588 997331231 /nfs/dbraw/zinc/33/12/31/997331231.db2.gz CVRJEGQANWSPGR-UHFFFAOYSA-N -1 3 404.377 3.605 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC(C)(C)[C@@H]2c2ccncc2)c1 ZINC000476787349 997341256 /nfs/dbraw/zinc/34/12/56/997341256.db2.gz IEGYSPFRTAMGPW-IBGZPJMESA-N -1 3 406.442 3.559 20 0 HHADHM Cc1cc(C(C)(C)NC(=O)CCc2c(C)nc(C)[n-]c2=O)ccc1Br ZINC000484991549 997353004 /nfs/dbraw/zinc/35/30/04/997353004.db2.gz YKOWCCJDAGKJPN-UHFFFAOYSA-N -1 3 406.324 3.854 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)CC(F)F)c2)cc1 ZINC000485078305 997448751 /nfs/dbraw/zinc/44/87/51/997448751.db2.gz ZMWFHNNBQYBBNA-UHFFFAOYSA-N -1 3 412.458 3.532 20 0 HHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000485092858 997467604 /nfs/dbraw/zinc/46/76/04/997467604.db2.gz IPWGTYDDTWRQGF-GJZGRUSLSA-N -1 3 402.410 3.731 20 0 HHADHM CC(=O)N[C@@H](CC(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1ccc(C)cc1 ZINC000485100612 997478413 /nfs/dbraw/zinc/47/84/13/997478413.db2.gz BMVBHZQNBBCFFO-KRWDZBQOSA-N -1 3 403.442 3.732 20 0 HHADHM O=C(CCCc1nc2ccccc2c(=O)[nH]1)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485131311 997516687 /nfs/dbraw/zinc/51/66/87/997516687.db2.gz FTZNROWTDHBKKC-UHFFFAOYSA-N -1 3 414.425 3.828 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)NC[C@@H]3CCC[C@@H](C)[C@H]3C)c2)n1 ZINC000485208425 997582821 /nfs/dbraw/zinc/58/28/21/997582821.db2.gz NNHKNSOBLDGOHU-INMHGKMJSA-N -1 3 410.518 3.539 20 0 HHADHM O=C(c1oc2ccccc2c1COc1ccccc1)N1CCc2nc[n-]c(=O)c2C1 ZINC000476975679 997595690 /nfs/dbraw/zinc/59/56/90/997595690.db2.gz ZXKQALRYZMJWPW-UHFFFAOYSA-N -1 3 401.422 3.706 20 0 HHADHM CC(C)(O)COc1ccc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)cc1 ZINC000485258682 997650144 /nfs/dbraw/zinc/65/01/44/997650144.db2.gz HEWXKTAOYNKVQS-UHFFFAOYSA-N -1 3 419.421 3.578 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@](C)(OC)C3CC3)ccc2C)cc1 ZINC000485423770 997859776 /nfs/dbraw/zinc/85/97/76/997859776.db2.gz VHXIJLRZJMPXHD-OAQYLSRUSA-N -1 3 418.515 3.558 20 0 HHADHM CCc1cc([N-]S(=O)(=O)c2c(C)cc(C)c(NS(C)(=O)=O)c2C)ccc1C ZINC000477246658 997919965 /nfs/dbraw/zinc/91/99/65/997919965.db2.gz 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CCc1cc(=O)[n-]c(CSCC(=O)N[C@H](C)c2ccc(OC(F)(F)F)cc2)n1 ZINC000477353107 998041158 /nfs/dbraw/zinc/04/11/58/998041158.db2.gz NGKJKFFMAKZJLU-LLVKDONJSA-N -1 3 415.437 3.754 20 0 HHADHM Cc1ccc(C(=O)c2oc3ccccc3c2[N-]C(=O)c2cn([C@@H]3CCOC3)nn2)cc1 ZINC000485697707 998160457 /nfs/dbraw/zinc/16/04/57/998160457.db2.gz QMLFSEHQYFGBCJ-MRXNPFEDSA-N -1 3 416.437 3.777 20 0 HHADHM COC[C@H](C)CS(=O)(=O)[N-]C1(c2noc(CC3CCCC3)n2)CCCCCC1 ZINC000477460808 998172416 /nfs/dbraw/zinc/17/24/16/998172416.db2.gz DAJQAOORPUMPJM-INIZCTEOSA-N -1 3 413.584 3.554 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3cccc(N4CCCC4=O)c3)c2)n1 ZINC000485757064 998229237 /nfs/dbraw/zinc/22/92/37/998229237.db2.gz RTDJRVOTRRYCGF-UHFFFAOYSA-N -1 3 416.481 3.720 20 0 HHADHM CCN(C(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O)[C@@H](C)c1cccc(OC)c1 ZINC000485812490 998280536 /nfs/dbraw/zinc/28/05/36/998280536.db2.gz HOPTVRZLTLUDLO-KRWDZBQOSA-N -1 3 420.513 3.691 20 0 HHADHM C[C@H]([N-]S(=O)(=O)c1c[nH]c2cccc(F)c21)c1nc(-c2cccc(F)c2)no1 ZINC000477602531 998319071 /nfs/dbraw/zinc/31/90/71/998319071.db2.gz PSANOMRACBVLSS-JTQLQIEISA-N -1 3 404.398 3.536 20 0 HHADHM CCOC[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)ccc2C)C1 ZINC000477613088 998331895 /nfs/dbraw/zinc/33/18/95/998331895.db2.gz VHBONIZPFVIQLB-GOSISDBHSA-N -1 3 416.543 3.603 20 0 HHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CCc2c[nH]c3c2cccc3C)cc1Cl ZINC000485886103 998340619 /nfs/dbraw/zinc/34/06/19/998340619.db2.gz ZTDYRQSMPLRLKN-UHFFFAOYSA-N -1 3 423.897 3.748 20 0 HHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)c1ccc2ncsc2c1 ZINC000485932007 998379049 /nfs/dbraw/zinc/37/90/49/998379049.db2.gz JXTBELUFYOGXHD-SNVBAGLBSA-N -1 3 410.904 3.776 20 0 HHADHM CCOc1cc(F)ccc1NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000485944265 998388441 /nfs/dbraw/zinc/38/84/41/998388441.db2.gz KJZIWLJIICDJGN-UHFFFAOYSA-N -1 3 421.425 3.745 20 0 HHADHM O=C(NCc1csc(-c2ccco2)n1)NCc1ccc([O-])c(Br)c1 ZINC000485984581 998427283 /nfs/dbraw/zinc/42/72/83/998427283.db2.gz 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CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)[N-][C@H](C)c2cccc(Cl)c2)c1 ZINC000486620018 998861079 /nfs/dbraw/zinc/86/10/79/998861079.db2.gz IZURPTWHVFQKSI-LLVKDONJSA-N -1 3 415.870 3.704 20 0 HHADHM COc1cc(C(=O)NC2(c3cccc(Br)c3)CCC2)cc(OC)c1[O-] ZINC000486638357 998869889 /nfs/dbraw/zinc/86/98/89/998869889.db2.gz HASMSIOZIQXZJG-UHFFFAOYSA-N -1 3 406.276 3.981 20 0 HHADHM COc1cc(C(=O)NCCc2ccc(-c3csc(C)n3)s2)cc(OC)c1[O-] ZINC000478309825 998878698 /nfs/dbraw/zinc/87/86/98/998878698.db2.gz GRVGNVBFBREFNL-UHFFFAOYSA-N -1 3 404.513 3.875 20 0 HHADHM Cc1cscc1CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000487038911 999045094 /nfs/dbraw/zinc/04/50/94/999045094.db2.gz LVVPIKLPHJAHKY-UHFFFAOYSA-N -1 3 404.488 3.926 20 0 HHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCc3ccc(F)cn3)c2)cc1 ZINC000478668654 999079401 /nfs/dbraw/zinc/07/94/01/999079401.db2.gz NQRZDMALVCKMNS-UHFFFAOYSA-N -1 3 413.474 3.568 20 0 HHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)cc1NC(=O)N(C)C ZINC000478690497 999090789 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20 0 HHADHM C[C@H](c1cccc(Br)c1)N1CC(=O)N(Cc2ccc([O-])c(F)c2)C1=O ZINC000479036185 999258701 /nfs/dbraw/zinc/25/87/01/999258701.db2.gz SKSSLKCSXYDDKY-LLVKDONJSA-N -1 3 407.239 3.819 20 0 HHADHM Cc1ccccc1[C@H](NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O)C1CC1 ZINC000487725557 999267149 /nfs/dbraw/zinc/26/71/49/999267149.db2.gz IZDZECOCNORQJW-JOCHJYFZSA-N -1 3 402.498 3.649 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC[C@@H]3CC3(C)C)ccc2C)cc1 ZINC000488114562 999380473 /nfs/dbraw/zinc/38/04/73/999380473.db2.gz DOOZBJNVKGVJNI-INIZCTEOSA-N -1 3 402.516 3.580 20 0 HHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)Sc3nnc(C)n3C(C)C)nc(=O)c2c1C ZINC000488278383 999421199 /nfs/dbraw/zinc/42/11/99/999421199.db2.gz MSAHDLAKZFGEEO-SNVBAGLBSA-N -1 3 421.548 3.804 20 0 HHADHM Cc1ccc(-c2nc(NC(=O)[C@@H]3CCN(c4cc(Cl)ccc4Cl)C3=O)n[n-]2)o1 ZINC000479479624 999435186 /nfs/dbraw/zinc/43/51/86/999435186.db2.gz ZVTBMRLCWPBUGE-NSHDSACASA-N -1 3 420.256 3.672 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(OC)c2)cc1Br ZINC000488337356 999446921 /nfs/dbraw/zinc/44/69/21/999446921.db2.gz SUDGZPYTOTWKLX-UHFFFAOYSA-N -1 3 416.293 3.666 20 0 HHADHM COc1cc(Br)c([N-]S(=O)(=O)c2c(C)cccc2F)cc1OC ZINC000479519515 999456840 /nfs/dbraw/zinc/45/68/40/999456840.db2.gz VXKZFBUHZPVXQD-UHFFFAOYSA-N -1 3 404.257 3.715 20 0 HHADHM CC[C@@H](C)[C@H](OC)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000479567057 999481151 /nfs/dbraw/zinc/48/11/51/999481151.db2.gz OYGPKQQVNAEWOD-YJYMSZOUSA-N -1 3 408.495 3.935 20 0 HHADHM CN(Cc1ccc(Br)cc1Cl)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000479578820 999487590 /nfs/dbraw/zinc/48/75/90/999487590.db2.gz MCQFYSWPYITNKT-UHFFFAOYSA-N -1 3 422.666 3.650 20 0 HHADHM CC(C)N1CC[C@H](NC(=O)NCc2ccc([O-])c(F)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000488558089 999527361 /nfs/dbraw/zinc/52/73/61/999527361.db2.gz LPEGWWSAGNVADE-ICSRJNTNSA-N -1 3 407.436 3.833 20 0 HHADHM CC(=O)CCc1ccc(O[C@@H](C)C(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000488652993 999559616 /nfs/dbraw/zinc/55/96/16/999559616.db2.gz DOBVLADLSIYALK-AWEZNQCLSA-N -1 3 420.303 3.760 20 0 HHADHM O=C(COc1ccc(C(F)(F)F)cc1)NCc1ccc([O-])c(Br)c1 ZINC000488663549 999563228 /nfs/dbraw/zinc/56/32/28/999563228.db2.gz FUNPOEHPLCFEIM-UHFFFAOYSA-N -1 3 404.182 3.869 20 0 HHADHM CN(C)[C@H](C(=O)NCc1ccc([O-])c(Br)c1)c1c(F)cccc1Cl ZINC000488676523 999568380 /nfs/dbraw/zinc/56/83/80/999568380.db2.gz PFEWYBMOXBFLKM-INIZCTEOSA-N -1 3 415.690 3.866 20 0 HHADHM CC(C)C(=O)N(C)Cc1ccc(C(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000488677224 999568765 /nfs/dbraw/zinc/56/87/65/999568765.db2.gz RIBAYQKDIXOTRX-UHFFFAOYSA-N -1 3 419.319 3.699 20 0 HHADHM O=C(CCC(=O)c1ccc2c(c1)CCC2)NCc1ccc([O-])c(Br)c1 ZINC000488683795 999571166 /nfs/dbraw/zinc/57/11/66/999571166.db2.gz GRPQJOYWHMQSMH-UHFFFAOYSA-N -1 3 402.288 3.923 20 0 HHADHM COc1cc(C(=O)NCc2ccc([O-])c(Br)c2)ccc1OC(F)F ZINC000488684810 999571731 /nfs/dbraw/zinc/57/17/31/999571731.db2.gz DBGRNQKMOFAKTK-UHFFFAOYSA-N -1 3 402.191 3.695 20 0 HHADHM CC[C@@H](Cc1ccccc1Br)N(C)C(=O)c1cnc2c(cnn2C)c1[O-] ZINC000479780903 999588964 /nfs/dbraw/zinc/58/89/64/999588964.db2.gz MOGOOOMZSLHHAE-ZDUSSCGKSA-N -1 3 417.307 3.530 20 0 HHADHM O=S(=O)([N-]Cc1cccc(OCC(F)F)c1)c1cc(C(F)(F)F)ccc1F ZINC000488764933 999600616 /nfs/dbraw/zinc/60/06/16/999600616.db2.gz VIWLCOAOEMDMQB-UHFFFAOYSA-N -1 3 413.339 3.967 20 0 HHADHM O=S(=O)([N-]Cc1cnn(Cc2ccccc2)c1)c1ccc(F)cc1C(F)(F)F ZINC000488890888 999638171 /nfs/dbraw/zinc/63/81/71/999638171.db2.gz NQHCCTFQJZKKNG-UHFFFAOYSA-N -1 3 413.396 3.568 20 0 HHADHM CCC(CC)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2F)CCO1 ZINC000479950023 999660082 /nfs/dbraw/zinc/66/00/82/999660082.db2.gz PKLCVBKDSJIBAO-ZFWWWQNUSA-N -1 3 408.333 3.850 20 0 HHADHM O=S(=O)([N-]Cc1ccc(-n2ccnc2)c(F)c1)c1ccc(F)cc1C(F)(F)F ZINC000488970581 999660632 /nfs/dbraw/zinc/66/06/32/999660632.db2.gz IWJFYQLUGYVCEX-UHFFFAOYSA-N -1 3 417.359 3.648 20 0 HHADHM CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3CCOC)cc1CC ZINC000488993342 999666892 /nfs/dbraw/zinc/66/68/92/999666892.db2.gz BYJDDAIIUCFJBQ-UHFFFAOYSA-N -1 3 416.543 3.538 20 0 HHADHM Cc1ccc(Cc2cnc(NC(=O)NCc3nc(C(F)(F)F)n[n-]3)s2)cc1F ZINC000479969028 999668118 /nfs/dbraw/zinc/66/81/18/999668118.db2.gz UOJLWEPYKQYOSX-UHFFFAOYSA-N -1 3 414.388 3.640 20 0 HHADHM CC[C@@H](N=c1cc(N[C@@H](CC)c2c(C)noc2C)n2[n-]cnc2n1)c1c(C)noc1C ZINC000480086597 999713564 /nfs/dbraw/zinc/71/35/64/999713564.db2.gz VKMNTQIHGCDYQQ-CVEARBPZSA-N -1 3 424.509 3.882 20 0 HHADHM CN(C)S(=O)(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc3ccccc32)c1 ZINC000480138363 999728166 /nfs/dbraw/zinc/72/81/66/999728166.db2.gz WRQIMXVGVYLOII-UHFFFAOYSA-N -1 3 424.931 3.544 20 0 HHADHM O=S(=O)([N-][C@@H]1CCOc2ccc(F)cc21)c1cccc(OC(F)(F)F)c1F ZINC000489282438 999736536 /nfs/dbraw/zinc/73/65/36/999736536.db2.gz CNLBNFOAFWKWQO-LLVKDONJSA-N -1 3 409.332 3.666 20 0 HHADHM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(Cc3nnc4n3CCC4)cc2)c1C ZINC000480199724 999743066 /nfs/dbraw/zinc/74/30/66/999743066.db2.gz QHGGDXCTXYVROH-UHFFFAOYSA-N -1 3 410.543 3.850 20 0 HHADHM O=S(=O)([N-]c1ccc(O[C@H]2CCOC2)cc1)c1ccc(CC(F)(F)F)cc1 ZINC000480203338 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CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3ncccc3c2)cc1 ZINC000536458561 1011676989 /nfs/dbraw/zinc/67/69/89/1011676989.db2.gz HEULNOCXSMIJRY-UHFFFAOYSA-N -1 3 419.528 3.577 20 0 HHADHM Cc1cc2cc(C(=O)NCc3ccc(-c4nnn[n-]4)cc3)oc2c(Br)c1 ZINC000541153654 1011814109 /nfs/dbraw/zinc/81/41/09/1011814109.db2.gz PWVXBGIHOKCTIP-UHFFFAOYSA-N -1 3 412.247 3.614 20 0 HHADHM Cc1cc2cc(C(=O)NCc3ccc(-c4nn[n-]n4)cc3)oc2c(Br)c1 ZINC000541153654 1011814118 /nfs/dbraw/zinc/81/41/18/1011814118.db2.gz PWVXBGIHOKCTIP-UHFFFAOYSA-N -1 3 412.247 3.614 20 0 HHADHM Cc1nc(S(=O)(=O)[N-][C@@H](c2ncccc2C)C(C)C)sc1Br ZINC000536670361 1011826472 /nfs/dbraw/zinc/82/64/72/1011826472.db2.gz RWBHASCWGBHPLM-LLVKDONJSA-N -1 3 404.355 3.593 20 0 HHADHM CCc1cccc(C(=O)N2CCN(C(=O)Nc3ccc(C)c(Cl)c3)CC2)c1[O-] ZINC000536686940 1011852531 /nfs/dbraw/zinc/85/25/31/1011852531.db2.gz MIKYCEWYEXQXPE-UHFFFAOYSA-N -1 3 401.894 3.906 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H](c2ccccc2)[C@@H]2CCOC2)s1 ZINC000536758199 1011951571 /nfs/dbraw/zinc/95/15/71/1011951571.db2.gz XIPYKZHRKBWTOD-UKRRQHHQSA-N -1 3 416.362 3.875 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCC=C(F)C3)c2)cc1 ZINC000541266462 1011954399 /nfs/dbraw/zinc/95/43/99/1011954399.db2.gz GETKCRHBXMKYIR-UHFFFAOYSA-N -1 3 404.463 3.504 20 0 HHADHM Cc1ccc(CN2CCSCC2)cc1[N-]S(=O)(=O)c1cccc2cnccc21 ZINC000523458605 1011961268 /nfs/dbraw/zinc/96/12/68/1011961268.db2.gz NQBPJGDEBICKOJ-UHFFFAOYSA-N -1 3 413.568 3.893 20 0 HHADHM O=C(NCc1ccc([O-])c(F)c1)C(=O)Nc1ccc(OCc2ccccc2F)cc1 ZINC000523464775 1011970822 /nfs/dbraw/zinc/97/08/22/1011970822.db2.gz DUCVHFSHWQRJBZ-UHFFFAOYSA-N -1 3 412.392 3.504 20 0 HHADHM O=c1[n-]nc(SCc2ccc(Br)c3cccnc23)n1C[C@@H]1CCCO1 ZINC000541286253 1011982521 /nfs/dbraw/zinc/98/25/21/1011982521.db2.gz LJSAQEIIHKCPPE-LBPRGKRZSA-N -1 3 421.320 3.766 20 0 HHADHM COc1cccc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)c1OC ZINC000552054522 1012071814 /nfs/dbraw/zinc/07/18/14/1012071814.db2.gz SKSZNMNIHAKEFO-UHFFFAOYSA-N -1 3 423.840 3.897 20 0 HHADHM O=S(=O)([N-][C@H](c1ccccc1)[C@H]1CCCO1)c1cccc(Br)c1F ZINC000541391800 1012115667 /nfs/dbraw/zinc/11/56/67/1012115667.db2.gz AXTKAPGHRRVOCC-RHSMWYFYSA-N -1 3 414.296 3.787 20 0 HHADHM Cc1ncc(CNC(=O)[C@@](C)(Cc2nc3ccccc3s2)c2ccccc2)c(=O)[n-]1 ZINC000541456530 1012217205 /nfs/dbraw/zinc/21/72/05/1012217205.db2.gz XSNKJGOKAYWZJA-QHCPKHFHSA-N -1 3 418.522 3.917 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N[C@@H](CC)c3ccc(C)cc3)c2)n1 ZINC000523648819 1012242601 /nfs/dbraw/zinc/24/26/01/1012242601.db2.gz YKHYUPARVXELTG-FQEVSTJZSA-N -1 3 418.497 3.926 20 0 HHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1c2c(nc3ccccc31)C(=Cc1ccccc1)CC2 ZINC000523684019 1012284247 /nfs/dbraw/zinc/28/42/47/1012284247.db2.gz WEDYDGCJZPCPTR-LRXXLLMYSA-N -1 3 424.504 3.963 20 0 HHADHM CC(=O)c1cccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c1[O-] ZINC000552287097 1012298651 /nfs/dbraw/zinc/29/86/51/1012298651.db2.gz IBTRPHMQUICHFH-HNNXBMFYSA-N -1 3 400.862 3.739 20 0 HHADHM CCC(CC)[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(Br)c2F)CCO1 ZINC000541538979 1012323608 /nfs/dbraw/zinc/32/36/08/1012323608.db2.gz UANBVKRTTVIMPD-GXTWGEPZSA-N -1 3 408.333 3.850 20 0 HHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)Cc1nc(-c2ccc(F)cc2)cs1 ZINC000541556917 1012345039 /nfs/dbraw/zinc/34/50/39/1012345039.db2.gz BEYKJJNZMSKUPE-UHFFFAOYSA-N -1 3 405.476 3.502 20 0 HHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCCOc3ccccc32)cc1Cl ZINC000552531573 1012550374 /nfs/dbraw/zinc/55/03/74/1012550374.db2.gz JISZBGZELFDRMN-OAHLLOKOSA-N -1 3 412.870 3.630 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@](C)(c3ccccc3)C2)c1 ZINC000541719548 1012570592 /nfs/dbraw/zinc/57/05/92/1012570592.db2.gz CUKQEABDXFDFKG-HSZRJFAPSA-N -1 3 405.454 3.745 20 0 HHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cc(Br)sc1Br ZINC000523945098 1012681841 /nfs/dbraw/zinc/68/18/41/1012681841.db2.gz VRESGXGWBKTSKG-UHFFFAOYSA-N -1 3 420.008 3.662 20 0 HHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cc(Br)sc1Br ZINC000523945098 1012681852 /nfs/dbraw/zinc/68/18/52/1012681852.db2.gz VRESGXGWBKTSKG-UHFFFAOYSA-N -1 3 420.008 3.662 20 0 HHADHM CCOC(=O)c1cc(NC(=O)c2c[n-]c3cc(F)c(OC)cc3c2=O)c(F)cc1C ZINC000552693362 1012703699 /nfs/dbraw/zinc/70/36/99/1012703699.db2.gz FNMAKZRTKMTHAH-UHFFFAOYSA-N -1 3 416.380 3.552 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]CCC1CCC(OC)CC1 ZINC000541828914 1012716615 /nfs/dbraw/zinc/71/66/15/1012716615.db2.gz KZBPVKWTRLVFQH-UHFFFAOYSA-N -1 3 411.545 3.562 20 0 HHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCc3ccc(F)cc32)cc1Cl ZINC000552733892 1012741798 /nfs/dbraw/zinc/74/17/98/1012741798.db2.gz URBLCOIUUNLFOW-OAHLLOKOSA-N -1 3 400.834 3.542 20 0 HHADHM CCCN1Cc2cccc([N-]S(=O)(=O)c3ccc(OCCOC)c(C)c3)c2C1 ZINC000541935987 1012796633 /nfs/dbraw/zinc/79/66/33/1012796633.db2.gz NFHVVGLKVVYUTC-UHFFFAOYSA-N -1 3 404.532 3.547 20 0 HHADHM CCCCN(C(=O)c1c[n-]c2ccc(I)cc2c1=O)C1CC1 ZINC000552795712 1012802719 /nfs/dbraw/zinc/80/27/19/1012802719.db2.gz CWUWGIPWDRWHIO-UHFFFAOYSA-N -1 3 410.255 3.537 20 0 HHADHM CCCc1c(C(=O)Nc2nc3c(cccc3C(=O)OC)[n-]2)cnn1-c1ccc(F)cc1 ZINC000541996785 1012875156 /nfs/dbraw/zinc/87/51/56/1012875156.db2.gz HPZGXARPVMGDKX-UHFFFAOYSA-N -1 3 421.432 3.879 20 0 HHADHM Cc1noc(C)c1C[C@H](C)[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000524123907 1012901596 /nfs/dbraw/zinc/90/15/96/1012901596.db2.gz GUYGUELOEJOJQW-JTQLQIEISA-N -1 3 411.936 3.978 20 0 HHADHM Cc1cnn([C@H]2CCCc3ccccc32)c1NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000524132543 1012917103 /nfs/dbraw/zinc/91/71/03/1012917103.db2.gz IHYQXPLFLSRCBD-FQEVSTJZSA-N -1 3 405.502 3.801 20 0 HHADHM CCN1CC[C@H](NC(=O)NCc2ccc([O-])c(F)c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542044861 1012949239 /nfs/dbraw/zinc/94/92/39/1012949239.db2.gz LRKSUNNTNAAJLJ-LPHOPBHVSA-N -1 3 411.399 3.583 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC[C@@H]2CCCCC(F)(F)C2)c1 ZINC000552996345 1012972209 /nfs/dbraw/zinc/97/22/09/1012972209.db2.gz OHRVWDUANWOZHY-CYBMUJFWSA-N -1 3 407.417 3.886 20 0 HHADHM Cc1ccccc1CNc1ccccc1NC(=O)c1cncc([N-]S(C)(=O)=O)c1 ZINC000542083476 1013005466 /nfs/dbraw/zinc/00/54/66/1013005466.db2.gz BQEMMBWCIARQHO-UHFFFAOYSA-N -1 3 410.499 3.626 20 0 HHADHM COC(=O)c1ccc(Nc2ccc([O-])c(F)c2F)cc1I ZINC001212013737 1071899031 /nfs/dbraw/zinc/89/90/31/1071899031.db2.gz HOVFBAKEMJTTRX-UHFFFAOYSA-N -1 3 405.138 3.805 20 0 HHADHM O=S(=O)([N-][C@@H]1CCCC1(F)F)c1ccc(Br)c(C(F)(F)F)c1 ZINC001212066066 1071949386 /nfs/dbraw/zinc/94/93/86/1071949386.db2.gz BRXSXEMCJRUMQT-SNVBAGLBSA-N -1 3 408.186 3.934 20 0 HHADHM COC(=O)c1cc(S(=O)(=O)[N-][C@]2(C)CCCC[C@H]2C)c(Br)cc1F ZINC001212077004 1072056217 /nfs/dbraw/zinc/05/62/17/1072056217.db2.gz CYLMZZFLVZOACG-QLJPJBMISA-N -1 3 422.316 3.622 20 0 HHADHM CCOc1ccc(C[C@H](C)C[N-]S(=O)(=O)c2cccnc2C(F)(F)F)cc1 ZINC001212082545 1072068481 /nfs/dbraw/zinc/06/84/81/1072068481.db2.gz HJFKYOOCANJHSM-ZDUSSCGKSA-N -1 3 402.438 3.656 20 0 HHADHM Cc1cc(-c2noc([C@@H](N)CCc3cc(=O)oc4cc([O-])ccc34)n2)c(F)cc1F ZINC001212097761 1072074589 /nfs/dbraw/zinc/07/45/89/1072074589.db2.gz HZTKORNJLYKYFO-KRWDZBQOSA-N -1 3 413.380 3.768 20 0 HHADHM Cc1cc(F)c(F)c(-c2noc([C@@H](N)CCc3cc(=O)oc4cc([O-])ccc34)n2)c1 ZINC001212097697 1072074767 /nfs/dbraw/zinc/07/47/67/1072074767.db2.gz DYXTWHWRMNISII-INIZCTEOSA-N -1 3 413.380 3.768 20 0 HHADHM Cc1ccc(CS(=O)(=O)[N-][C@@H](Cc2ccccc2)C(=O)OC(C)(C)C)cc1C ZINC000911594023 1072214173 /nfs/dbraw/zinc/21/41/73/1072214173.db2.gz GGWDMRMOZYIFKE-FQEVSTJZSA-N -1 3 403.544 3.676 20 0 HHADHM Cc1ccc([C@H](C)N(C)C(=O)C[C@H](C)[N-]S(=O)(=O)c2cccnc2Cl)c(C)c1 ZINC000760345064 1072266664 /nfs/dbraw/zinc/26/66/64/1072266664.db2.gz QZRBQABDWCMEPN-HOTGVXAUSA-N -1 3 423.966 3.628 20 0 HHADHM CN1CC[C@H]([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)[C@@H]1c1ccc(Cl)cc1 ZINC000760429817 1072349430 /nfs/dbraw/zinc/34/94/30/1072349430.db2.gz HBQWPKUUZXTMAT-WFASDCNBSA-N -1 3 420.749 3.766 20 0 HHADHM C[C@@H](OC(=O)c1cc(-c2ccco2)[n-]n1)C(=O)Nc1ccccc1Br ZINC000913298920 1072360169 /nfs/dbraw/zinc/36/01/69/1072360169.db2.gz SVGQTMJKFJDPDV-SNVBAGLBSA-N -1 3 404.220 3.616 20 0 HHADHM C[C@@H](OC(=O)c1cc(-c2ccco2)n[n-]1)C(=O)Nc1ccccc1Br ZINC000913298920 1072360180 /nfs/dbraw/zinc/36/01/80/1072360180.db2.gz SVGQTMJKFJDPDV-SNVBAGLBSA-N -1 3 404.220 3.616 20 0 HHADHM C[C@@H](OC(=O)c1cc(-c2ccco2)[n-]n1)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000913302222 1072364544 /nfs/dbraw/zinc/36/45/44/1072364544.db2.gz RLFMFHHBZUAUND-HUUCEWRRSA-N -1 3 407.470 3.971 20 0 HHADHM C[C@@H](OC(=O)c1cc(-c2ccco2)n[n-]1)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000913302222 1072364547 /nfs/dbraw/zinc/36/45/47/1072364547.db2.gz RLFMFHHBZUAUND-HUUCEWRRSA-N -1 3 407.470 3.971 20 0 HHADHM COc1c2ccccc2[nH]c1C(=O)Nc1cc(I)ccc1[O-] ZINC000586801889 1072426640 /nfs/dbraw/zinc/42/66/40/1072426640.db2.gz BBKMUCACRMWUDO-UHFFFAOYSA-N -1 3 408.195 3.739 20 0 HHADHM Cc1onc(-c2cccnc2)c1C(=O)Nc1cc(I)ccc1[O-] ZINC000586801963 1072426676 /nfs/dbraw/zinc/42/66/76/1072426676.db2.gz KOLCHHYDBBALNY-UHFFFAOYSA-N -1 3 421.194 3.608 20 0 HHADHM CN(C(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F)c1ccc(C(C)(C)C)cc1 ZINC000729840344 1072440140 /nfs/dbraw/zinc/44/01/40/1072440140.db2.gz IAFMMDAEYQNOLN-UHFFFAOYSA-N -1 3 422.497 3.980 20 0 HHADHM CC(C)c1cccc(N(C)C(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)c1 ZINC000729843971 1072505631 /nfs/dbraw/zinc/50/56/31/1072505631.db2.gz NPPNDYSOGRLISH-UHFFFAOYSA-N -1 3 408.470 3.806 20 0 HHADHM CN(C)C(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(OCc3ccccc3)cc2)cc1 ZINC000571113466 1072565412 /nfs/dbraw/zinc/56/54/12/1072565412.db2.gz NQEDLWHQWVMQJN-UHFFFAOYSA-N -1 3 424.522 3.697 20 0 HHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000760546416 1072576374 /nfs/dbraw/zinc/57/63/74/1072576374.db2.gz VDCAHWVTZRCAMU-CYBMUJFWSA-N -1 3 418.446 3.876 20 0 HHADHM Cc1ccccc1[C@H](NC(=O)C[C@@H](C)[N-]S(=O)(=O)c1cccnc1Cl)C(C)C ZINC000760577889 1072649848 /nfs/dbraw/zinc/64/98/48/1072649848.db2.gz OIWAXHOTNXFTST-DNVCBOLYSA-N -1 3 423.966 3.614 20 0 HHADHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]c1cccc(Cl)c1Br ZINC000479114241 1072730054 /nfs/dbraw/zinc/73/00/54/1072730054.db2.gz HOPYNGMQVVYWPZ-UHFFFAOYSA-N -1 3 422.684 3.845 20 0 HHADHM CCCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cnc3onc(C)c3c2)c1 ZINC000479427018 1072842546 /nfs/dbraw/zinc/84/25/46/1072842546.db2.gz RQPQCLBYYPJVMG-UHFFFAOYSA-N -1 3 408.867 3.724 20 0 HHADHM O=S(=O)([N-][C@@H](c1ccccc1)[C@@H]1CCCO1)c1ccc(Br)s1 ZINC000588170835 1072878534 /nfs/dbraw/zinc/87/85/34/1072878534.db2.gz JHBPQQYIIHEHCU-WFASDCNBSA-N -1 3 402.335 3.709 20 0 HHADHM O=C([N-]C[C@H]1Cc2ccccc2N1C(=O)c1[nH]ccc1-c1ccccc1)C(F)(F)F ZINC001142612614 1073011440 /nfs/dbraw/zinc/01/14/40/1073011440.db2.gz VVAXPVQEGBVMJB-MRXNPFEDSA-N -1 3 413.399 3.932 20 0 HHADHM Cc1nc(C2([N-]S(=O)(=O)c3ccc(C(F)(F)F)c(C)c3)CCCCC2)no1 ZINC000554968421 1073024056 /nfs/dbraw/zinc/02/40/56/1073024056.db2.gz VTPPWPGSSSGDFF-UHFFFAOYSA-N -1 3 403.426 3.843 20 0 HHADHM COCC[C@H]1CCCCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000572303910 1073234467 /nfs/dbraw/zinc/23/44/67/1073234467.db2.gz JQIFPAXQISVPEE-CYBMUJFWSA-N -1 3 407.308 3.569 20 0 HHADHM CC(C)[C@@H]([N-]S(=O)(=O)Cc1ccc(C(F)F)cc1)c1nc(-c2ccncc2)no1 ZINC000555297665 1073328531 /nfs/dbraw/zinc/32/85/31/1073328531.db2.gz NBSSIFJHRQWGDH-MRXNPFEDSA-N -1 3 422.457 3.886 20 0 HHADHM COc1cccc(-c2noc([C@H](C)[N-]S(=O)(=O)Cc3c(C)cccc3C)n2)c1 ZINC000555316056 1073329360 /nfs/dbraw/zinc/32/93/60/1073329360.db2.gz SOEXPRZFZHQPDB-HNNXBMFYSA-N -1 3 401.488 3.543 20 0 HHADHM C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000589095339 1073398227 /nfs/dbraw/zinc/39/82/27/1073398227.db2.gz SSOBPJIDVDQLIP-JTQLQIEISA-N -1 3 403.287 3.771 20 0 HHADHM C[C@@H](c1ccccc1F)N1CCC[C@H]([N-]S(=O)(=O)c2ccc(Cl)s2)C1=O ZINC000555404525 1073414648 /nfs/dbraw/zinc/41/46/48/1073414648.db2.gz HWSXXMOWKCGOOR-FZMZJTMJSA-N -1 3 416.927 3.571 20 0 HHADHM Cc1csc(CCCC[N-]S(=O)(=O)c2cc(Br)ccc2F)n1 ZINC000589170790 1073454534 /nfs/dbraw/zinc/45/45/34/1073454534.db2.gz IWLSZENYCFMIAU-UHFFFAOYSA-N -1 3 407.330 3.654 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2OC)c(Br)c1 ZINC000589149149 1073463797 /nfs/dbraw/zinc/46/37/97/1073463797.db2.gz KGFFVIHWUTZFTI-UHFFFAOYSA-N -1 3 406.685 3.921 20 0 HHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NCC(C)(C)c1ccccc1Cl ZINC000590291193 1073709427 /nfs/dbraw/zinc/70/94/27/1073709427.db2.gz VEELWKHPUDQYCT-UHFFFAOYSA-N -1 3 410.905 3.843 20 0 HHADHM COc1ccc(-c2nc(C)c(C(=O)Nc3cccc(-c4nnn[n-]4)c3)s2)cc1OC ZINC000590319416 1073747462 /nfs/dbraw/zinc/74/74/62/1073747462.db2.gz FXQWHMCXDBZPLD-UHFFFAOYSA-N -1 3 422.470 3.568 20 0 HHADHM COc1ccc(-c2nc(C)c(C(=O)Nc3cccc(-c4nn[n-]n4)c3)s2)cc1OC ZINC000590319416 1073747466 /nfs/dbraw/zinc/74/74/66/1073747466.db2.gz FXQWHMCXDBZPLD-UHFFFAOYSA-N -1 3 422.470 3.568 20 0 HHADHM COc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1cc(C(C)C)c(OC)cc1C ZINC000555780600 1073827720 /nfs/dbraw/zinc/82/77/20/1073827720.db2.gz UJOAFLQQDROPKL-UHFFFAOYSA-N -1 3 406.548 3.998 20 0 HHADHM CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)Nc2n[n-]c(-c3ccco3)n2)c1 ZINC000555869684 1073926467 /nfs/dbraw/zinc/92/64/67/1073926467.db2.gz REEUBQUIHAWJQO-UHFFFAOYSA-N -1 3 401.854 3.633 20 0 HHADHM Cc1noc(C)c1CN(C)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000760790982 1073993736 /nfs/dbraw/zinc/99/37/36/1073993736.db2.gz ZHFYGSYIPYVQLF-UHFFFAOYSA-N -1 3 424.682 3.821 20 0 HHADHM O=S(=O)([N-]C[C@H]1CCN(c2ccc(Cl)cc2)C1)c1cc(F)ccc1Cl ZINC000590793926 1074006121 /nfs/dbraw/zinc/00/61/21/1074006121.db2.gz AYUISJMFQIJUDC-GFCCVEGCSA-N -1 3 403.306 3.937 20 0 HHADHM CC(C)n1cc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)cn1 ZINC000556027282 1074051068 /nfs/dbraw/zinc/05/10/68/1074051068.db2.gz HZQYYTLXQURLNN-UHFFFAOYSA-N -1 3 402.451 3.656 20 0 HHADHM CC(C)[C@@H](Oc1ccccc1Br)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000591177507 1074143908 /nfs/dbraw/zinc/14/39/08/1074143908.db2.gz INMFZITZLYEHBC-MRXNPFEDSA-N -1 3 416.279 3.671 20 0 HHADHM CC(C)[C@@H](Oc1ccccc1Br)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000591177507 1074143910 /nfs/dbraw/zinc/14/39/10/1074143910.db2.gz INMFZITZLYEHBC-MRXNPFEDSA-N -1 3 416.279 3.671 20 0 HHADHM CO[C@](C)(C(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21)c1ccccc1 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O=C([N-]NC(=O)c1cc(C2CC2)nc2ccccc21)c1ccccc1Br ZINC000007913465 961369217 /nfs/dbraw/zinc/36/92/17/961369217.db2.gz ORAKFUXFHWMZOU-UHFFFAOYSA-N -1 3 410.271 3.950 20 0 HHADHM Cc1c([O-])ccc2c(CSc3nnc(NC[C@H]4CCCO4)s3)cc(=O)oc12 ZINC000016331540 963017483 /nfs/dbraw/zinc/01/74/83/963017483.db2.gz SVHVXRCIWFCCHM-GFCCVEGCSA-N -1 3 405.501 3.542 20 0 HHADHM O=C(COc1ccccc1Cc1ccccc1)N[N-]C(=O)c1ccc(F)cc1Cl ZINC000016592899 963070331 /nfs/dbraw/zinc/07/03/31/963070331.db2.gz RWFQQKVHKDVRSX-UHFFFAOYSA-N -1 3 412.848 3.910 20 0 HHADHM C[C@H](NC(=O)c1ccccc1NC=C1C(=O)[N-]C(=O)c2ccccc21)c1ccccc1 ZINC000016720255 963092413 /nfs/dbraw/zinc/09/24/13/963092413.db2.gz PPDQLIHVOMNGMQ-WASCAKKMSA-N -1 3 411.461 3.901 20 0 HHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3cc4c(c(Cl)c3)OCO4)nc(=O)c2c1C ZINC000021461438 963471963 /nfs/dbraw/zinc/47/19/63/963471963.db2.gz PDSQGHJFXBCCLA-QMMMGPOBSA-N -1 3 406.847 3.902 20 0 HHADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H](C)c2ccc(-c3ccc(F)cc3)cc2)s1 ZINC000553534417 1013431828 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407.220 3.806 20 0 HHADHM C[C@@H]1CCC[C@H](NC(=O)c2cc(S(=O)(=O)[N-]C3CC3)c(Cl)cc2Cl)C1 ZINC000033182982 966387421 /nfs/dbraw/zinc/38/74/21/966387421.db2.gz UOHRULZEHOMYIV-PWSUYJOCSA-N -1 3 405.347 3.743 20 0 HHADHM O=S(=O)([N-][C@@H]1COc2c1ccc(Cl)c2Cl)c1cccnc1C(F)(F)F ZINC000553839568 1013648590 /nfs/dbraw/zinc/64/85/90/1013648590.db2.gz JVWSLHRWWFTCOL-SECBINFHSA-N -1 3 413.204 3.819 20 0 HHADHM COc1ccc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccncc2)c([O-])c1 ZINC000061341300 966435875 /nfs/dbraw/zinc/43/58/75/966435875.db2.gz RZTMCJUHUJUMLI-UHFFFAOYSA-N -1 3 400.438 3.579 20 0 HHADHM O=C([N-]NC(=O)c1c2c(nc3ccccc31)CCC2)c1ccccc1Br ZINC000036705967 966442627 /nfs/dbraw/zinc/44/26/27/966442627.db2.gz XPHQGQINYBQXTE-UHFFFAOYSA-N -1 3 410.271 3.561 20 0 HHADHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(N3CCCCC3=O)c2)cc1 ZINC000038699505 966485786 /nfs/dbraw/zinc/48/57/86/966485786.db2.gz LWBZFZPQSNLJOZ-UHFFFAOYSA-N -1 3 402.516 3.965 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)Nc1ccc(OC(C)C)c(Cl)c1 ZINC000056881192 966501194 /nfs/dbraw/zinc/50/11/94/966501194.db2.gz WYPDSJHMEJTGIF-UHFFFAOYSA-N -1 3 412.877 3.762 20 0 HHADHM Cc1nc(C[N-]S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)cs1 ZINC000040447085 966516918 /nfs/dbraw/zinc/51/69/18/966516918.db2.gz NAVJKSVXSVMDMX-UHFFFAOYSA-N -1 3 416.149 3.999 20 0 HHADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H](C)c2ccc(Cl)c3ccccc32)s1 ZINC000553862127 1013662878 /nfs/dbraw/zinc/66/28/78/1013662878.db2.gz KACGDWCKRCMHEH-JTQLQIEISA-N -1 3 409.920 3.948 20 0 HHADHM COc1ccc(S(=O)(=O)[N-][C@H](C(C)(C)C)C(F)(F)F)cc1Br ZINC000542756647 1013663718 /nfs/dbraw/zinc/66/37/18/1013663718.db2.gz XJQZXXCCWVFCNG-LLVKDONJSA-N -1 3 404.248 3.713 20 0 HHADHM O=S(=O)([N-][C@H](c1ccccc1)[C@H]1CCOC1)c1c(F)cccc1OC(F)(F)F ZINC000553869392 1013667746 /nfs/dbraw/zinc/66/77/46/1013667746.db2.gz LIKUXJUOAXOFAP-XJKSGUPXSA-N -1 3 419.396 3.780 20 0 HHADHM Cc1cccc(NC(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1C ZINC000041779607 966631963 /nfs/dbraw/zinc/63/19/63/966631963.db2.gz NYUKWQGRVBUDCR-UHFFFAOYSA-N -1 3 401.315 3.917 20 0 HHADHM Cc1nc(CNC(=O)c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)ccc2C)cs1 ZINC000042125357 966725548 /nfs/dbraw/zinc/72/55/48/966725548.db2.gz GIBUIGGTPKFZNF-UHFFFAOYSA-N -1 3 415.540 3.799 20 0 HHADHM Cc1ccccc1NC(=O)CN1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000042743091 966841240 /nfs/dbraw/zinc/84/12/40/966841240.db2.gz CAKZSZZCSSNCIN-UHFFFAOYSA-N -1 3 401.894 3.643 20 0 HHADHM COc1ccc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c(OC)c1 ZINC000063772758 966952938 /nfs/dbraw/zinc/95/29/38/966952938.db2.gz VZQBWQCOUDSNKL-UHFFFAOYSA-N -1 3 423.840 3.897 20 0 HHADHM CCN(CC)Cc1ccc(C(=O)[N-]NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)o1 ZINC000064049302 967035149 /nfs/dbraw/zinc/03/51/49/967035149.db2.gz SJTXHIOKPNYJPI-QGZVFWFLSA-N -1 3 415.534 3.782 20 0 HHADHM CCN(CC)Cc1ccc(C(=O)[N-]NC(=O)c2ccccc2N(C)c2ccccc2)o1 ZINC000064049149 967035163 /nfs/dbraw/zinc/03/51/63/967035163.db2.gz PKJIZJQMTHVGNO-UHFFFAOYSA-N -1 3 420.513 3.964 20 0 HHADHM O=c1[n-]c(SCc2cc(F)cc3c2OCOC3)nc2c1cnn2-c1ccccc1 ZINC000043925584 967075699 /nfs/dbraw/zinc/07/56/99/967075699.db2.gz MXBNESRQQKYYPI-UHFFFAOYSA-N -1 3 410.430 3.819 20 0 HHADHM CC(C)OCc1cccc(NC(=O)CS(=O)(=O)[N-]c2ccc(OC(C)C)cc2)c1 ZINC000064323748 967141010 /nfs/dbraw/zinc/14/10/10/967141010.db2.gz PNPTXZPCGYPTPV-UHFFFAOYSA-N -1 3 420.531 3.779 20 0 HHADHM CCOc1ccccc1OCCCC(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000064343148 967148565 /nfs/dbraw/zinc/14/85/65/967148565.db2.gz JXVHYDAKSPBQIO-UHFFFAOYSA-N -1 3 407.470 3.942 20 0 HHADHM C[C@H]1CN(c2ccc([N-]S(=O)(=O)c3ccc(C#N)c(Cl)c3)cc2)C[C@H](C)O1 ZINC000064478181 967205526 /nfs/dbraw/zinc/20/55/26/967205526.db2.gz HLMQVTDOEOBZIJ-KBPBESRZSA-N -1 3 405.907 3.626 20 0 HHADHM Cn1c2ccccc2c(Cl)c1C(=O)N[N-]C(=O)c1ccc(F)cc1Br ZINC000064835725 967306360 /nfs/dbraw/zinc/30/63/60/967306360.db2.gz GGYAEIKNHXEMQP-UHFFFAOYSA-N -1 3 424.657 3.808 20 0 HHADHM O=C([N-]NC(=O)c1[nH]c2ccc(Br)cc2c1Cl)c1ccccc1F ZINC000044877992 967307522 /nfs/dbraw/zinc/30/75/22/967307522.db2.gz XEJCWEAKRDYGFD-UHFFFAOYSA-N -1 3 410.630 3.798 20 0 HHADHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC2(c3ccc(F)cc3)CCCC2)ccc1F ZINC000064850690 967310887 /nfs/dbraw/zinc/31/08/87/967310887.db2.gz OJRVMZMQFSNJGE-UHFFFAOYSA-N -1 3 420.481 3.628 20 0 HHADHM O=C(Nc1ccc(C(=O)Nc2ncccc2[O-])cc1)c1ccc(Br)o1 ZINC000044948722 967316985 /nfs/dbraw/zinc/31/69/85/967316985.db2.gz BMDFWJKWPPNCAC-UHFFFAOYSA-N -1 3 402.204 3.647 20 0 HHADHM COc1ccc(CCC[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1OC ZINC000064938544 967333817 /nfs/dbraw/zinc/33/38/17/967333817.db2.gz NFFYUAYLDQJRKL-UHFFFAOYSA-N -1 3 404.315 3.922 20 0 HHADHM CCOc1ccc(NC(=S)N[N-]C(=O)c2cnn(-c3ccc(Cl)cc3)c2)cc1 ZINC000045081488 967349326 /nfs/dbraw/zinc/34/93/26/967349326.db2.gz QXDIDTRDKJRLRW-UHFFFAOYSA-N -1 3 415.906 3.556 20 0 HHADHM CCO[N-]C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC000065106086 967378465 /nfs/dbraw/zinc/37/84/65/967378465.db2.gz XOUYZZRZDPBPHI-UHFFFAOYSA-N -1 3 400.276 3.912 20 0 HHADHM Cc1nc(C)c(CCC(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c(=O)[n-]1 ZINC000065141904 967392733 /nfs/dbraw/zinc/39/27/33/967392733.db2.gz BSSZJYHYTXVHEO-UHFFFAOYSA-N -1 3 424.888 3.864 20 0 HHADHM CC[C@@H](NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccc(Cl)cc1 ZINC000045404864 967451687 /nfs/dbraw/zinc/45/16/87/967451687.db2.gz UJCWXWIJTLUWSE-LJQANCHMSA-N -1 3 401.894 3.664 20 0 HHADHM CCCCO[C@@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000065578808 967533437 /nfs/dbraw/zinc/53/34/37/967533437.db2.gz BWWSOSKDGOBBRI-INIZCTEOSA-N -1 3 420.531 3.948 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3c(C)oc(-n4cccc4)c3C#N)c2)n1 ZINC000046067288 967651110 /nfs/dbraw/zinc/65/11/10/967651110.db2.gz NWXGSZXUMJFGNV-UHFFFAOYSA-N -1 3 413.437 3.815 20 0 HHADHM CC(C)[C@@H]1C[C@@H](CC(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)CCO1 ZINC000542892471 1013737571 /nfs/dbraw/zinc/73/75/71/1013737571.db2.gz WTJLYCHIGBRNQY-LRDDRELGSA-N -1 3 422.469 3.857 20 0 HHADHM COc1cc[n-]c(=NNC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)n1 ZINC000046364670 967765620 /nfs/dbraw/zinc/76/56/20/967765620.db2.gz SKXVKYUACMDQMR-UHFFFAOYSA-N -1 3 408.245 3.523 20 0 HHADHM N#Cc1ccccc1COC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000046451898 967806755 /nfs/dbraw/zinc/80/67/55/967806755.db2.gz WPRIFCURJBTBFP-QFIPXVFZSA-N -1 3 400.434 3.868 20 0 HHADHM COc1ccccc1CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000046462326 967813350 /nfs/dbraw/zinc/81/33/50/967813350.db2.gz NKFLCQHYFIGJOC-UHFFFAOYSA-N -1 3 410.495 3.986 20 0 HHADHM Cc1cc(N(C)C)ccc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000046676256 967915699 /nfs/dbraw/zinc/91/56/99/967915699.db2.gz BHUZGXDMOWTIHR-UHFFFAOYSA-N -1 3 407.511 3.529 20 0 HHADHM COc1ccc(NC(=O)NCCNC(=O)c2ccc([O-])cc2)cc1Cc1ccccc1 ZINC000046851508 967990393 /nfs/dbraw/zinc/99/03/93/967990393.db2.gz PIVOXTRKYKKZLQ-UHFFFAOYSA-N -1 3 419.481 3.543 20 0 HHADHM COc1cccc([C@@H](C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)N(C)C)c1 ZINC000047032870 968034948 /nfs/dbraw/zinc/03/49/48/968034948.db2.gz FENNBPVZICIVGT-MRXNPFEDSA-N -1 3 403.331 3.583 20 0 HHADHM CCN(Cc1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1)C(=O)C(F)(F)F ZINC000047906330 968357751 /nfs/dbraw/zinc/35/77/51/968357751.db2.gz GQNBLZHEMFVYIG-UHFFFAOYSA-N -1 3 400.422 3.707 20 0 HHADHM Cc1cc(Br)ccc1C(=O)N[N-]C(=O)c1ccccc1Br ZINC000048169699 968467954 /nfs/dbraw/zinc/46/79/54/968467954.db2.gz KHFGVJVMDLHWSG-UHFFFAOYSA-N -1 3 412.081 3.595 20 0 HHADHM Cc1cc(O[C@@H](C)C(=O)N[N-]C(=O)c2ccccc2Br)ccc1Cl ZINC000048169696 968468363 /nfs/dbraw/zinc/46/83/63/968468363.db2.gz AURHRRODHSPCKX-NSHDSACASA-N -1 3 411.683 3.639 20 0 HHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)Nc1cccc(OCc2ccc(F)cc2)c1 ZINC000065788473 968644391 /nfs/dbraw/zinc/64/43/91/968644391.db2.gz RYTKSAAUFWOJAV-UHFFFAOYSA-N -1 3 405.385 3.932 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H](CC)OC)ccc2C)cc1 ZINC000065834877 968671057 /nfs/dbraw/zinc/67/10/57/968671057.db2.gz YEOPEXJPJRXRPM-GOSISDBHSA-N -1 3 406.504 3.558 20 0 HHADHM O=S(=O)([N-][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1ccc(Br)s1 ZINC000538283737 1013820481 /nfs/dbraw/zinc/82/04/81/1013820481.db2.gz VKQRZHRLVQMHSZ-RISCZKNCSA-N -1 3 424.288 3.597 20 0 HHADHM O=C(NC1CCCCC1)C1CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)CC1 ZINC000065964908 968741629 /nfs/dbraw/zinc/74/16/29/968741629.db2.gz CBOKNNDEUAPBMZ-UHFFFAOYSA-N -1 3 408.502 3.743 20 0 HHADHM CCc1cc(=O)c2cc([N-]S(=O)(=O)c3ccc(OC(C)C)c(C)c3)ccc2[nH]1 ZINC000554150463 1013824954 /nfs/dbraw/zinc/82/49/54/1013824954.db2.gz ORRHYGYIMHDIEQ-UHFFFAOYSA-N -1 3 400.500 3.987 20 0 HHADHM C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000071957744 968908962 /nfs/dbraw/zinc/90/89/62/968908962.db2.gz QODKOWYNLHYFNF-IIDMSEBBSA-N -1 3 421.969 3.780 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)cc1OC ZINC000072005615 968927598 /nfs/dbraw/zinc/92/75/98/968927598.db2.gz KMEDLUHJCWRELD-HUUCEWRRSA-N -1 3 408.907 3.852 20 0 HHADHM O=c1[n-]nc(SCc2ccc(OCc3ccc(F)cc3)cc2)n1C[C@@H]1CCCO1 ZINC000072031433 968942708 /nfs/dbraw/zinc/94/27/08/968942708.db2.gz YUPAVDIKYVNZPQ-IBGZPJMESA-N -1 3 415.490 3.761 20 0 HHADHM Nn1c(SCc2nc3c4ccccc4oc3c(=O)[n-]2)nnc1-c1cccc(Cl)c1 ZINC000096946782 969060440 /nfs/dbraw/zinc/06/04/40/969060440.db2.gz MYGXEYBKHXLOJX-UHFFFAOYSA-N -1 3 424.873 4.000 20 0 HHADHM C[C@@H](NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(C(F)(F)F)cc1 ZINC000097414242 969135732 /nfs/dbraw/zinc/13/57/32/969135732.db2.gz PXQZAULGCCKTHR-CQSZACIVSA-N -1 3 421.419 3.640 20 0 HHADHM Cc1ccnc(NC(=O)c2cc(S(=O)(=O)[N-]CC(C)C)c(Cl)cc2Cl)c1 ZINC000098076893 969191302 /nfs/dbraw/zinc/19/13/02/969191302.db2.gz ZOVBLYKTQRXQLW-UHFFFAOYSA-N -1 3 416.330 3.883 20 0 HHADHM COc1ccc(Cl)cc1NC(=O)CS(=O)(=O)[N-]c1ccc(OC(C)C)cc1 ZINC000108655285 969406699 /nfs/dbraw/zinc/40/66/99/969406699.db2.gz DLNZTIQTBHGRTH-UHFFFAOYSA-N -1 3 412.895 3.516 20 0 HHADHM Cc1ccc2nc(NC(=O)CCc3c(C)nc(-c4ccncc4)[n-]c3=O)sc2c1 ZINC000109187920 969475570 /nfs/dbraw/zinc/47/55/70/969475570.db2.gz HOMWFBUXIMNERV-UHFFFAOYSA-N -1 3 405.483 3.630 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@H](c2ccccc2)C2CC2)cc1OC ZINC000109196880 969477110 /nfs/dbraw/zinc/47/71/10/969477110.db2.gz DZCRUCFZRQTATG-LJQANCHMSA-N -1 3 403.504 3.730 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CN(C)c3ccccc3)cc2)cc1 ZINC000109339192 969501561 /nfs/dbraw/zinc/50/15/61/969501561.db2.gz SSTNWLJYFYJRIC-UHFFFAOYSA-N -1 3 409.511 3.871 20 0 HHADHM COc1cccc(N2CCN(C(=O)c3cc(Cc4ccccc4)ccc3[O-])CC2)c1 ZINC000110226325 969639557 /nfs/dbraw/zinc/63/95/57/969639557.db2.gz HYVVDLDMHUNTQQ-UHFFFAOYSA-N -1 3 402.494 3.954 20 0 HHADHM C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000111210190 969804094 /nfs/dbraw/zinc/80/40/94/969804094.db2.gz HDFRVDHWTVMCIN-ZDUSSCGKSA-N -1 3 408.907 3.861 20 0 HHADHM O=C(N[N-]C(=O)c1ccccc1Br)Nc1cccc(C(F)(F)F)c1 ZINC000115924377 969862771 /nfs/dbraw/zinc/86/27/71/969862771.db2.gz XAWLTQXPYKTJTP-UHFFFAOYSA-N -1 3 402.170 3.934 20 0 HHADHM O=C([N-]NC(=O)c1ccc(F)c(C(F)(F)F)c1)c1ccccc1Br ZINC000116019396 969867801 /nfs/dbraw/zinc/86/78/01/969867801.db2.gz LBPCSYBMSRTUFS-UHFFFAOYSA-N -1 3 405.145 3.682 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc4c(c3)NC(=O)[C@H](C)S4)c2)n1 ZINC000117199641 969941858 /nfs/dbraw/zinc/94/18/58/969941858.db2.gz UICXUOCGNCBHMM-LBPRGKRZSA-N -1 3 420.494 3.684 20 0 HHADHM O=S(=O)([N-]Cc1ccnc(N2CCCCC2)c1)c1cccc(Cl)c1Cl ZINC000117512266 969955508 /nfs/dbraw/zinc/95/55/08/969955508.db2.gz NGIZSXPIWYGCCL-UHFFFAOYSA-N -1 3 400.331 3.857 20 0 HHADHM CCCOc1ccccc1NC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000146101036 970280194 /nfs/dbraw/zinc/28/01/94/970280194.db2.gz FCMDQUFACVYSTO-UHFFFAOYSA-N -1 3 407.492 3.890 20 0 HHADHM COc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1cccc(-c2nc(C)cs2)c1 ZINC000554538534 1013973379 /nfs/dbraw/zinc/97/33/79/1013973379.db2.gz ODZBRRQSIZQWNC-UHFFFAOYSA-N -1 3 417.556 3.990 20 0 HHADHM C[C@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1cc2c(cc1Br)OCCO2 ZINC000237580132 970317171 /nfs/dbraw/zinc/31/71/71/970317171.db2.gz LMNMHNWIZSHKEL-JTQLQIEISA-N -1 3 409.236 3.685 20 0 HHADHM O=S(=O)([N-]Cc1ccc(-n2ccnc2)c(F)c1)c1cccc(Cl)c1Cl ZINC000147393294 970327528 /nfs/dbraw/zinc/32/75/28/970327528.db2.gz MDYIAVVUTVYXJW-UHFFFAOYSA-N -1 3 400.262 3.797 20 0 HHADHM O=C([N-]c1nncn1-c1cccnc1)c1cc2sc(Nc3ccccc3)nc2s1 ZINC000554662652 1014004583 /nfs/dbraw/zinc/00/45/83/1014004583.db2.gz VPOKQIZKTDQNNK-UHFFFAOYSA-N -1 3 419.495 4.329 20 0 HHADHM C[C@@H](NC(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)c1cccs1 ZINC000255927079 970587177 /nfs/dbraw/zinc/58/71/77/970587177.db2.gz DXBINTXIPUYTAT-GFCCVEGCSA-N -1 3 411.512 3.552 20 0 HHADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(C)c(Br)cc2F)ccc1F ZINC000554689492 1014014169 /nfs/dbraw/zinc/01/41/69/1014014169.db2.gz LFYPQJPMFBLXIF-UHFFFAOYSA-N -1 3 419.247 3.795 20 0 HHADHM COc1cc(CCC2CCN(C(=O)c3nnc4ccccc4c3[O-])CC2)cc(OC)c1 ZINC000261473392 970708247 /nfs/dbraw/zinc/70/82/47/970708247.db2.gz VVBPMTOPXGLXLN-UHFFFAOYSA-N -1 3 421.497 3.838 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(OC(F)F)cc2)sc1Br ZINC000316769724 972651985 /nfs/dbraw/zinc/65/19/85/972651985.db2.gz OVPQQSJIFIAIKV-UHFFFAOYSA-N -1 3 412.277 3.899 20 0 HHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccc(Cl)cc1Br ZINC000318469382 972662061 /nfs/dbraw/zinc/66/20/61/972662061.db2.gz HPPDEWZNBVIPAV-UHFFFAOYSA-N -1 3 403.685 3.726 20 0 HHADHM COc1ccc([C@@H](C)[N-]S(=O)(=O)c2cc(Br)cnc2Cl)cc1F ZINC000320762677 972684123 /nfs/dbraw/zinc/68/41/23/972684123.db2.gz GGZBKLLRAKXKKW-MRVPVSSYSA-N -1 3 423.691 3.685 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]CCc2cccc3cccnc32)sc1Br ZINC000321265866 972688801 /nfs/dbraw/zinc/68/88/01/972688801.db2.gz AJKVCWFZNUTQES-UHFFFAOYSA-N -1 3 411.346 3.888 20 0 HHADHM CC(C)Oc1ncccc1C[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000323673863 972713793 /nfs/dbraw/zinc/71/37/93/972713793.db2.gz OHPFDNBFLJXCKX-UHFFFAOYSA-N -1 3 419.728 3.763 20 0 HHADHM O=S(=O)([N-]CCc1cccc2cccnc21)c1ccc(Br)cc1F ZINC000326724923 972747117 /nfs/dbraw/zinc/74/71/17/972747117.db2.gz QYHCYKCNKBXLCE-UHFFFAOYSA-N -1 3 409.280 3.657 20 0 HHADHM CCOc1ccc(S(=O)(=O)[N-]c2cc(C)cnc2Br)cc1OCC ZINC000326892809 972749185 /nfs/dbraw/zinc/74/91/85/972749185.db2.gz ISEZBBGWHWBZOA-UHFFFAOYSA-N -1 3 415.309 3.751 20 0 HHADHM CC(C)N1CC[C@H]([N-]S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)C1 ZINC000390061947 972819896 /nfs/dbraw/zinc/81/98/96/972819896.db2.gz KBIDFRDAFDBMSY-JTQLQIEISA-N -1 3 416.168 3.517 20 0 HHADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Br)c1ccccc1 ZINC000391900728 972845815 /nfs/dbraw/zinc/84/58/15/972845815.db2.gz DZWMURDOBLXBMO-HNNXBMFYSA-N -1 3 417.756 3.684 20 0 HHADHM O=C(Nc1ccc(OCc2noc(C3CC3)n2)cc1)c1c[n-]c2ccccc2c1=O ZINC000409507834 972961817 /nfs/dbraw/zinc/96/18/17/972961817.db2.gz BIYZMUITEDZKPJ-UHFFFAOYSA-N -1 3 402.410 3.620 20 0 HHADHM COc1ccccc1-n1ncc(C(=O)NCc2ccc([O-])c(Br)c2)c1C ZINC000409851941 973321611 /nfs/dbraw/zinc/32/16/11/973321611.db2.gz XMPHBHPBQHKQCG-UHFFFAOYSA-N -1 3 416.275 3.587 20 0 HHADHM O=S(=O)([N-][C@H]1CCCC12CCOCC2)c1cccc(Cl)c1Br ZINC000409933482 973395380 /nfs/dbraw/zinc/39/53/80/973395380.db2.gz ZNOBXPLMNNZPJB-ZDUSSCGKSA-N -1 3 408.745 3.730 20 0 HHADHM Cc1cccc(Oc2ccc(S(=O)(=O)[N-]c3ccc(C(N)=O)cc3F)cc2)c1 ZINC000425990770 974103026 /nfs/dbraw/zinc/10/30/26/974103026.db2.gz OUJWGXWKFYCTNA-UHFFFAOYSA-N -1 3 400.431 3.826 20 0 HHADHM COC(=O)c1ccc(C(=O)[N-]c2nnc(Cc3ccc(Cl)cc3)s2)c(F)c1 ZINC000426288541 974373431 /nfs/dbraw/zinc/37/34/31/974373431.db2.gz JNJLWBYWHWWUNK-UHFFFAOYSA-N -1 3 405.838 3.960 20 0 HHADHM COC(=O)c1ccc(-c2nc(Cc3ccc(OC(C)C)c(Br)c3)no2)[n-]1 ZINC000426449934 974456497 /nfs/dbraw/zinc/45/64/97/974456497.db2.gz KJNKTQXHAOZOBQ-UHFFFAOYSA-N -1 3 420.263 3.992 20 0 HHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H]1CCc2sc(Cl)cc21 ZINC000426531827 974510682 /nfs/dbraw/zinc/51/06/82/974510682.db2.gz JDNSIZIREPWRKB-CQSZACIVSA-N -1 3 400.891 3.614 20 0 HHADHM O=C([O-])c1ccnc(N2CCC(NCc3cc(Cl)ccc3Br)CC2)c1 ZINC000426649098 974581714 /nfs/dbraw/zinc/58/17/14/974581714.db2.gz VTNPCLTXOMRUHO-UHFFFAOYSA-N -1 3 424.726 3.954 20 0 HHADHM COc1cc(C[NH2+]C[C@@H](Cc2ccccc2C)C(=O)[O-])cc(Br)c1[O-] ZINC000426653388 974584598 /nfs/dbraw/zinc/58/45/98/974584598.db2.gz BDWVNYABUACTBO-OAHLLOKOSA-N -1 3 408.292 3.505 20 0 HHADHM O=C([O-])[C@@H](CCCNCc1cn(-c2ccc(F)cc2Cl)nn1)Cc1ccccc1 ZINC000426673310 974593984 /nfs/dbraw/zinc/59/39/84/974593984.db2.gz FNFHWDXPHKCWLY-INIZCTEOSA-N -1 3 416.884 3.873 20 0 HHADHM O=C([O-])[C@@H](CNCc1cn(-c2ccc(F)cc2Cl)nn1)Cc1cccc(Cl)c1 ZINC000426677274 974595799 /nfs/dbraw/zinc/59/57/99/974595799.db2.gz KZIOJENTEOFONJ-CYBMUJFWSA-N -1 3 423.275 3.746 20 0 HHADHM COc1cccc(CSC[C@H](NCc2nc3cc(Cl)ccc3n2C)C(=O)[O-])c1 ZINC000426718384 974613493 /nfs/dbraw/zinc/61/34/93/974613493.db2.gz WDKFTNBEDGTMBD-KRWDZBQOSA-N -1 3 419.934 3.712 20 0 HHADHM C[C@@H](C(=O)[O-])[C@H](NCc1cc(Br)c2c(c1)OCCO2)c1ccccc1 ZINC000426721976 974615659 /nfs/dbraw/zinc/61/56/59/974615659.db2.gz UKZUMMBVAGZICZ-PXAZEXFGSA-N -1 3 406.276 3.772 20 0 HHADHM Cc1cc(F)ccc1-c1ccc(CN[C@@H](Cn2ccc(C(F)(F)F)n2)C(=O)[O-])o1 ZINC000426726513 974618613 /nfs/dbraw/zinc/61/86/13/974618613.db2.gz KEADJPKWNUSLLS-HNNXBMFYSA-N -1 3 411.355 3.852 20 0 HHADHM O=C([O-])[C@H](CSCCOc1ccccc1)NCc1ccccc1Br ZINC000426758629 974638993 /nfs/dbraw/zinc/63/89/93/974638993.db2.gz IPLHJZZCKGUHCA-KRWDZBQOSA-N -1 3 410.333 3.804 20 0 HHADHM CCOc1cc(CN[C@H](C(=O)[O-])c2cccs2)cc(Br)c1OC ZINC000426806476 974675053 /nfs/dbraw/zinc/67/50/53/974675053.db2.gz JWDDVFVGOJONOF-AWEZNQCLSA-N -1 3 400.294 3.833 20 0 HHADHM CCOc1cc(CN[C@H](C(=O)[O-])c2ccsc2)cc(Br)c1OC ZINC000426819821 974685046 /nfs/dbraw/zinc/68/50/46/974685046.db2.gz WOKRKGOCRRNTEK-AWEZNQCLSA-N -1 3 400.294 3.833 20 0 HHADHM CSc1cc2c(cc1CN[C@@H](C(=O)[O-])c1ccc(Br)cc1)OCCO2 ZINC000426824691 974690195 /nfs/dbraw/zinc/69/01/95/974690195.db2.gz JCUGZHWVJMTDMQ-QGZVFWFLSA-N -1 3 424.316 3.858 20 0 HHADHM CCc1ccc([C@H](NCc2cc(Br)c3c(c2)OCCO3)C(=O)[O-])cc1 ZINC000426827784 974692632 /nfs/dbraw/zinc/69/26/32/974692632.db2.gz XCNGMXWYXBGNDG-KRWDZBQOSA-N -1 3 406.276 3.698 20 0 HHADHM C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000427063989 974870138 /nfs/dbraw/zinc/87/01/38/974870138.db2.gz HFOCIVVNPOWCMC-HNNXBMFYSA-N -1 3 414.469 3.587 20 0 HHADHM C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000427063989 974870143 /nfs/dbraw/zinc/87/01/43/974870143.db2.gz HFOCIVVNPOWCMC-HNNXBMFYSA-N -1 3 414.469 3.587 20 0 HHADHM Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3ccc(Cc4nnn[n-]4)cc3)c12 ZINC000427082854 974888693 /nfs/dbraw/zinc/88/86/93/974888693.db2.gz VCMXDPLDSFWEKL-UHFFFAOYSA-N -1 3 411.425 3.554 20 0 HHADHM Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3ccc(Cc4nn[n-]n4)cc3)c12 ZINC000427082854 974888700 /nfs/dbraw/zinc/88/87/00/974888700.db2.gz VCMXDPLDSFWEKL-UHFFFAOYSA-N -1 3 411.425 3.554 20 0 HHADHM COc1ccc(Cl)cc1CS(=O)(=O)[N-][C@H](C)c1nc(Cc2ccccc2)no1 ZINC000427251957 975005687 /nfs/dbraw/zinc/00/56/87/975005687.db2.gz YKHKOGYBKWAEQB-CYBMUJFWSA-N -1 3 421.906 3.503 20 0 HHADHM C/C(=C\c1ccccc1)CN(C)C(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000427542990 975173874 /nfs/dbraw/zinc/17/38/74/975173874.db2.gz IUHJLPXCROQSKG-BMRADRMJSA-N -1 3 402.498 3.635 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NCc1ccc(C2CCC2)cc1 ZINC000427562300 975186098 /nfs/dbraw/zinc/18/60/98/975186098.db2.gz HKVSZUQJKICDLF-UHFFFAOYSA-N -1 3 402.498 3.657 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2ccnc(N3CCc4ccccc4C3)c2)cc1F ZINC000427633529 975217519 /nfs/dbraw/zinc/21/75/19/975217519.db2.gz KDXHORZEDVUAEO-UHFFFAOYSA-N -1 3 413.474 3.593 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2ccnc(N3CCc4ccccc4C3)c2)cc1C ZINC000427649797 975224630 /nfs/dbraw/zinc/22/46/30/975224630.db2.gz AZOJTUXFUUQQBN-UHFFFAOYSA-N -1 3 409.511 3.762 20 0 HHADHM Cc1nc2ccc(S(=O)(=O)[N-]c3cccc(CN4CCSCC4)c3)cc2s1 ZINC000427789521 975290018 /nfs/dbraw/zinc/29/00/18/975290018.db2.gz MVXWBNVQXNWCCA-UHFFFAOYSA-N -1 3 419.597 3.954 20 0 HHADHM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc([C@H](C)N4CCOCC4)cc3)cc2s1 ZINC000427802758 975297932 /nfs/dbraw/zinc/29/79/32/975297932.db2.gz VJBUDEJJUVOCHF-AWEZNQCLSA-N -1 3 417.556 3.799 20 0 HHADHM COc1ccccc1[C@H]([N-]S(=O)(=O)c1cnn(Cc2ccccc2)c1)c1ccco1 ZINC000427803466 975298771 /nfs/dbraw/zinc/29/87/71/975298771.db2.gz MBPNRFISCHSJBK-QFIPXVFZSA-N -1 3 423.494 3.601 20 0 HHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H]1CCO[C@@]2(CCSC2)C1 ZINC000427811482 975303180 /nfs/dbraw/zinc/30/31/80/975303180.db2.gz MQRASICZIAVIQY-GUYCJALGSA-N -1 3 401.937 3.728 20 0 HHADHM CC(C)(C)c1nnsc1C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000427872887 975329948 /nfs/dbraw/zinc/32/99/48/975329948.db2.gz DNSGGJNGRJJASY-UHFFFAOYSA-N -1 3 422.938 3.686 20 0 HHADHM Cc1c2cc(Br)cc(C)c2oc1C(=O)N1CCc2c(nc[n-]c2=O)C1 ZINC000427908957 975343941 /nfs/dbraw/zinc/34/39/41/975343941.db2.gz PQKCFTYBVMOHST-UHFFFAOYSA-N -1 3 402.248 3.506 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@H](OC(C)C)c2ccccc2)cc1OC ZINC000428143436 975475978 /nfs/dbraw/zinc/47/59/78/975475978.db2.gz VZCNUHGOSGRSLN-LJQANCHMSA-N -1 3 406.504 3.562 20 0 HHADHM COC(=O)c1cc(C)nc2nc(SCc3coc(-c4ccccc4)n3)[n-]c(=O)c12 ZINC000428264684 975579437 /nfs/dbraw/zinc/57/94/37/975579437.db2.gz DLGFIWKLZUIVKD-UHFFFAOYSA-N -1 3 408.439 3.773 20 0 HHADHM O=S(=O)([N-]C[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)c1ccc(Cl)s1 ZINC000428395386 975716248 /nfs/dbraw/zinc/71/62/48/975716248.db2.gz DWZAYDMGUMVAOX-YOEHRIQHSA-N -1 3 403.928 3.593 20 0 HHADHM O=S(=O)([N-]C[C@]1(CO)C[C@H]1c1ccc(F)cc1)c1cc(Cl)ccc1Cl ZINC000428409468 975729655 /nfs/dbraw/zinc/72/96/55/975729655.db2.gz VRDQNNIXTWHJNE-YOEHRIQHSA-N -1 3 404.290 3.577 20 0 HHADHM CCCOc1cc(O)ccc1NC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000428685315 975976421 /nfs/dbraw/zinc/97/64/21/975976421.db2.gz QQITWZAALJNMNJ-UHFFFAOYSA-N -1 3 423.491 3.595 20 0 HHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CC[C@]4(C)[C@H](C3)C4(F)F)nc(=O)c2c1C ZINC000428724641 976012467 /nfs/dbraw/zinc/01/24/67/976012467.db2.gz WRJKPDGJRPAGPO-LDLUMPKVSA-N -1 3 411.474 3.508 20 0 HHADHM O=C(Cc1ccc(Br)s1)NCc1ccc([O-])c(Br)c1 ZINC000428860870 976151432 /nfs/dbraw/zinc/15/14/32/976151432.db2.gz IMFCOLMSFVMSPR-UHFFFAOYSA-N -1 3 405.111 3.838 20 0 HHADHM C[C@H]([N-]S(=O)(=O)Cc1cc(C(C)(C)C)on1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000429240534 976530827 /nfs/dbraw/zinc/53/08/27/976530827.db2.gz WSQADFRUOVFVIG-NSHDSACASA-N -1 3 424.910 3.856 20 0 HHADHM C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C1CCN(CC(F)(F)F)CC1 ZINC000429331524 976596433 /nfs/dbraw/zinc/59/64/33/976596433.db2.gz RGCCWSBIMBEPJC-JTQLQIEISA-N -1 3 419.296 3.935 20 0 HHADHM CN(C(=O)NCc1ccc([O-])c(F)c1)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000429440485 976718999 /nfs/dbraw/zinc/71/89/99/976718999.db2.gz CJIJNIMXCYRSRB-IBGZPJMESA-N -1 3 400.841 3.906 20 0 HHADHM CCCOc1cccnc1C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000429811768 977085694 /nfs/dbraw/zinc/08/56/94/977085694.db2.gz PBHMGWSAWLMPCL-UHFFFAOYSA-N -1 3 417.893 3.720 20 0 HHADHM CC(C)(C)OC(=O)CCC[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429840059 977110616 /nfs/dbraw/zinc/11/06/16/977110616.db2.gz ASNDTKFDNIMQHV-UHFFFAOYSA-N -1 3 412.733 3.503 20 0 HHADHM O=S(=O)([N-]CCC[C@@H]1CCCC[C@H]1O)c1cc(Cl)ccc1Br ZINC000429856299 977127665 /nfs/dbraw/zinc/12/76/65/977127665.db2.gz HEKZVFBHIRUBKO-SMDDNHRTSA-N -1 3 410.761 3.712 20 0 HHADHM Cc1csc([C@@H](C)C[N-]S(=O)(=O)c2cc(Cl)ccc2Br)n1 ZINC000429892287 977168088 /nfs/dbraw/zinc/16/80/88/977168088.db2.gz UDKLWTQUGUPIMN-QMMMGPOBSA-N -1 3 409.758 3.949 20 0 HHADHM COC1CCC(C)(C[N-]S(=O)(=O)c2cc(Cl)ccc2Br)CC1 ZINC000429912784 977187695 /nfs/dbraw/zinc/18/76/95/977187695.db2.gz CBLXLJRJHBDQSG-UHFFFAOYSA-N -1 3 410.761 3.976 20 0 HHADHM CC1(C)Cc2ccc(Cl)c([N-]S(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)c2O1 ZINC000430353873 977497545 /nfs/dbraw/zinc/49/75/45/977497545.db2.gz GONMMVCGBOYIFM-UHFFFAOYSA-N -1 3 404.875 3.696 20 0 HHADHM COC(=O)c1ccc(CS(=O)(=O)[N-]c2c3c(ccc2Cl)CC(C)(C)O3)cc1 ZINC000430374515 977510389 /nfs/dbraw/zinc/51/03/89/977510389.db2.gz WXTZGYGBVDSTAH-UHFFFAOYSA-N -1 3 409.891 3.782 20 0 HHADHM COc1ccc(CNC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)cc1 ZINC000430409892 977529201 /nfs/dbraw/zinc/52/92/01/977529201.db2.gz PDHFXIYWRSYBGB-UHFFFAOYSA-N -1 3 421.678 3.883 20 0 HHADHM CC[C@H]1CO[C@@H](C)CN1C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430592163 977648248 /nfs/dbraw/zinc/64/82/48/977648248.db2.gz CGMIOYHRTQANCY-ONGXEEELSA-N -1 3 413.699 3.584 20 0 HHADHM C[C@@H]1CCN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)CCS1 ZINC000430628237 977660012 /nfs/dbraw/zinc/66/00/12/977660012.db2.gz UZXHMUULIZLZES-SECBINFHSA-N -1 3 415.740 3.912 20 0 HHADHM O=C(NCCc1ccc(O)cc1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430653802 977669539 /nfs/dbraw/zinc/66/95/39/977669539.db2.gz LWRPJDMSHOLRTG-UHFFFAOYSA-N -1 3 421.678 3.622 20 0 HHADHM COC(C)(C)C[C@H](C)NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430654025 977670574 /nfs/dbraw/zinc/67/05/74/977670574.db2.gz QKOOFGPHYYBGBL-VIFPVBQESA-N -1 3 415.715 3.877 20 0 HHADHM CSCCCCNC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430658632 977672143 /nfs/dbraw/zinc/67/21/43/977672143.db2.gz JNOJKMASUVZVDG-UHFFFAOYSA-N -1 3 403.729 3.817 20 0 HHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@H]1c2cccc(F)c2CC[C@H]1C ZINC000431052106 977981207 /nfs/dbraw/zinc/98/12/07/977981207.db2.gz UHPRFSYUVIISDK-LRTDBIEQSA-N -1 3 406.461 3.674 20 0 HHADHM COC(=O)C[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1cccc(Br)c1 ZINC000431737716 978471006 /nfs/dbraw/zinc/47/10/06/978471006.db2.gz HFMNDJMABNMERT-OAHLLOKOSA-N -1 3 412.667 3.842 20 0 HHADHM COc1ccc(Cl)cc1CS(=O)(=O)[N-][C@@H](C)c1noc(Cc2ccccc2)n1 ZINC000431886271 978577853 /nfs/dbraw/zinc/57/78/53/978577853.db2.gz CSHVUQXOYAJXIM-ZDUSSCGKSA-N -1 3 421.906 3.503 20 0 HHADHM O=S(=O)([N-]CC[C@H](c1ccccc1)C(F)(F)F)c1cnn(-c2ccccc2)c1 ZINC000432309860 978756181 /nfs/dbraw/zinc/75/61/81/978756181.db2.gz ZTGZTSIGNBYSKC-GOSISDBHSA-N -1 3 409.433 3.887 20 0 HHADHM Cc1cn2cc([N-]S(=O)(=O)c3ccc(Cl)c(Br)c3)ccc2n1 ZINC000432361752 978777814 /nfs/dbraw/zinc/77/78/14/978777814.db2.gz ZACOTDAACOZWHL-UHFFFAOYSA-N -1 3 400.685 3.859 20 0 HHADHM CS(=O)(=O)c1cc(C(=O)[N-]c2nnc([C@H]3CCCc4ccccc43)s2)cs1 ZINC000432587186 978901970 /nfs/dbraw/zinc/90/19/70/978901970.db2.gz IUCJYVDSXOZYSL-AWEZNQCLSA-N -1 3 419.553 3.724 20 0 HHADHM COC(=O)c1cnc(SCC(=O)Nc2nc(-c3cc(C)c(C)cc3C)cs2)[n-]1 ZINC000432662542 978928066 /nfs/dbraw/zinc/92/80/66/978928066.db2.gz YWUZGISBDODHMM-UHFFFAOYSA-N -1 3 416.528 3.976 20 0 HHADHM CN(C)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C3CCCCC3)cc2)cc1 ZINC000432762871 978964146 /nfs/dbraw/zinc/96/41/46/978964146.db2.gz KZFNNFBNOMJXSQ-UHFFFAOYSA-N -1 3 415.559 3.958 20 0 HHADHM CCN(CC)C(=O)Cc1ccc([N-]S(=O)(=O)c2cc(Cl)c(OC)cc2C)cc1 ZINC000432767279 978967017 /nfs/dbraw/zinc/96/70/17/978967017.db2.gz JZKWJGULZZIVCV-UHFFFAOYSA-N -1 3 424.950 3.869 20 0 HHADHM CC(C)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(N(C)C)cc2)cc1Cl ZINC000432769296 978968280 /nfs/dbraw/zinc/96/82/80/978968280.db2.gz BENLCQVCJCJTQH-UHFFFAOYSA-N -1 3 409.939 3.593 20 0 HHADHM COCCOc1c(Cl)cc([N-]S(=O)(=O)c2ccc(N(C)C)cc2)cc1Cl ZINC000432775792 978970881 /nfs/dbraw/zinc/97/08/81/978970881.db2.gz WZVBRSBIWXEEER-UHFFFAOYSA-N -1 3 419.330 3.885 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)N(C)C)ccc2C)cc1C(C)C ZINC000432776604 978971320 /nfs/dbraw/zinc/97/13/20/978971320.db2.gz PVXPHGFUWRSAMQ-UHFFFAOYSA-N -1 3 404.532 3.938 20 0 HHADHM COC(=O)[C@H](C)Cc1ccc([N-]S(=O)(=O)c2cc(Cl)c(OC)cc2C)cc1 ZINC000432777540 978971490 /nfs/dbraw/zinc/97/14/90/978971490.db2.gz DHIQOPRHNGOLAZ-CYBMUJFWSA-N -1 3 411.907 3.809 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(OCc3nc(C)no3)cc2)cc1Cl ZINC000432777678 978971557 /nfs/dbraw/zinc/97/15/57/978971557.db2.gz VNOZRYIUUGDNSB-UHFFFAOYSA-N -1 3 423.878 3.728 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc([C@H]3CNC(=O)C3)c2)cc1C(C)C ZINC000432778486 978972101 /nfs/dbraw/zinc/97/21/01/978972101.db2.gz YSSLCPIENDAPPK-MRXNPFEDSA-N -1 3 402.516 3.531 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(NC(=O)NC3CC3)cc2)cc1Cl ZINC000432779449 978972550 /nfs/dbraw/zinc/97/25/50/978972550.db2.gz KENRHSZXTQEFBC-UHFFFAOYSA-N -1 3 409.895 3.742 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)Nc3cccc(SC)c3)c2)[n-]1 ZINC000432896701 979004147 /nfs/dbraw/zinc/00/41/47/979004147.db2.gz IPTGTWYDRPIHTM-UHFFFAOYSA-N -1 3 411.487 3.692 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)Nc3cccc(SC)c3)c2)n[n-]1 ZINC000432896701 979004152 /nfs/dbraw/zinc/00/41/52/979004152.db2.gz IPTGTWYDRPIHTM-UHFFFAOYSA-N -1 3 411.487 3.692 20 0 HHADHM CCCc1c(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)cnn1-c1ccc(C)cc1 ZINC000433124026 979085637 /nfs/dbraw/zinc/08/56/37/979085637.db2.gz ZCYPMFJPZPWBER-UHFFFAOYSA-N -1 3 407.400 3.592 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)Nc3cccc([C@@H](C)OC)c3)c2)[n-]1 ZINC000433216733 979150646 /nfs/dbraw/zinc/15/06/46/979150646.db2.gz BTDBBFDLJUAPFK-CQSZACIVSA-N -1 3 423.473 3.678 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)Nc3cccc([C@@H](C)OC)c3)c2)n[n-]1 ZINC000433216733 979150650 /nfs/dbraw/zinc/15/06/50/979150650.db2.gz BTDBBFDLJUAPFK-CQSZACIVSA-N -1 3 423.473 3.678 20 0 HHADHM COC(=O)c1sc2[n-]c(CN(C)Cc3ccc(F)c(Cl)c3)nc(=O)c2c1C ZINC000433271925 979206653 /nfs/dbraw/zinc/20/66/53/979206653.db2.gz VOCRZJXMELZADH-UHFFFAOYSA-N -1 3 409.870 3.504 20 0 HHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc(NC(=O)c4ccccc4)nc3)c[n-]c12 ZINC000433359999 979255349 /nfs/dbraw/zinc/25/53/49/979255349.db2.gz DBOBDHKYJNLCQD-UHFFFAOYSA-N -1 3 416.412 3.875 20 0 HHADHM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ncccc3Br)cc(Cl)c2O1 ZINC000433390727 979271192 /nfs/dbraw/zinc/27/11/92/979271192.db2.gz PGYSKWGHHQGFFW-MRVPVSSYSA-N -1 3 403.685 3.622 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@@H](CN(CC)CC(F)(F)F)C3)nc2)n1 ZINC000433426504 979295829 /nfs/dbraw/zinc/29/58/29/979295829.db2.gz AEDOUNRCRUEJCK-AWEZNQCLSA-N -1 3 409.456 3.517 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)Nc3ccc(CC)c(C)c3)c2)[n-]1 ZINC000433591763 979409820 /nfs/dbraw/zinc/40/98/20/979409820.db2.gz QRMYEDGLXAQTGV-UHFFFAOYSA-N -1 3 407.474 3.841 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)Nc3ccc(CC)c(C)c3)c2)n[n-]1 ZINC000433591763 979409825 /nfs/dbraw/zinc/40/98/25/979409825.db2.gz QRMYEDGLXAQTGV-UHFFFAOYSA-N -1 3 407.474 3.841 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CCN(c3ccccc3)C2)sc1Br ZINC000433827645 979606513 /nfs/dbraw/zinc/60/65/13/979606513.db2.gz BMVKYDHDKBNNRQ-CYBMUJFWSA-N -1 3 415.378 3.624 20 0 HHADHM COc1cc(C)c(S(=O)(=O)NCc2ccc([O-])c(Br)c2)cc1Cl ZINC000433890449 979654574 /nfs/dbraw/zinc/65/45/74/979654574.db2.gz KXISUHFYQBOGOW-UHFFFAOYSA-N -1 3 420.712 3.604 20 0 HHADHM C[C@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000433997043 979745579 /nfs/dbraw/zinc/74/55/79/979745579.db2.gz LIMVNDSQKYJYSQ-XIKOKIGWSA-N -1 3 405.292 3.688 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccccc2Oc2ccccc2C)c(C)o1 ZINC000434000771 979747919 /nfs/dbraw/zinc/74/79/19/979747919.db2.gz DMDTXLBFYQJXFK-UHFFFAOYSA-N -1 3 414.483 3.527 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccccc2Sc2ccccc2)c(C)o1 ZINC000434010618 979756778 /nfs/dbraw/zinc/75/67/78/979756778.db2.gz FEDPMIYCWRLXIJ-UHFFFAOYSA-N -1 3 416.524 3.577 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)N(Cc2ccccc2Cl)C2CCCC2)c(C)o1 ZINC000434013291 979758292 /nfs/dbraw/zinc/75/82/92/979758292.db2.gz BCRFTJOSGCIBDH-UHFFFAOYSA-N -1 3 410.923 3.735 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)NCC2(c3ccc(C(C)(C)C)cc3)CCC2)c(C)o1 ZINC000434097270 979846700 /nfs/dbraw/zinc/84/67/00/979846700.db2.gz FVCFZHUNPDKTLW-UHFFFAOYSA-N -1 3 418.559 3.645 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)c(C)o1 ZINC000434190744 979956240 /nfs/dbraw/zinc/95/62/40/979956240.db2.gz KCIIRWYHNIKTDS-UHFFFAOYSA-N -1 3 417.314 3.608 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1C[C@H](c2ccccc2)C(C)(C)C1 ZINC000434432670 980172066 /nfs/dbraw/zinc/17/20/66/980172066.db2.gz RDFYLGUDKJUAGR-OAQYLSRUSA-N -1 3 416.525 3.725 20 0 HHADHM Cc1nc(C)c(CC(=O)NCC2(c3cccc(Br)c3)CCCC2)c(=O)[n-]1 ZINC000434501242 980214321 /nfs/dbraw/zinc/21/43/21/980214321.db2.gz VYYMGILMRPLAFA-UHFFFAOYSA-N -1 3 418.335 3.732 20 0 HHADHM Cc1cccc2[nH]cc(CC[N-]S(=O)(=O)c3cc(F)ccc3Br)c21 ZINC000435205911 980721321 /nfs/dbraw/zinc/72/13/21/980721321.db2.gz DUVJISAMFAIVHR-UHFFFAOYSA-N -1 3 411.296 3.899 20 0 HHADHM O=S(=O)([N-]Cc1cc(-c2ccccc2)no1)c1cc(F)ccc1Br ZINC000435208387 980723008 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HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2)cc1OC ZINC000435745830 981013518 /nfs/dbraw/zinc/01/35/18/981013518.db2.gz QSFJSLLGEZTYOB-DOTOQJQBSA-N -1 3 423.922 3.788 20 0 HHADHM O=C(Nc1cc(Cl)ccc1C(=O)N1CCCCC1)c1cc(F)cc2n[n-]nc21 ZINC000435926786 981096913 /nfs/dbraw/zinc/09/69/13/981096913.db2.gz KSHPUYFESCUHGB-UHFFFAOYSA-N -1 3 401.829 3.629 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)Nc2cnn(C3CCCC3)c2C)cc1OC ZINC000436109546 981204790 /nfs/dbraw/zinc/20/47/90/981204790.db2.gz YOBVMCYOKXSTBJ-UHFFFAOYSA-N -1 3 421.523 3.721 20 0 HHADHM COC[C@H]([N-]S(=O)(=O)c1cc(Br)c(F)cc1F)c1ccc(F)cc1 ZINC000436171659 981232953 /nfs/dbraw/zinc/23/29/53/981232953.db2.gz MDZDMRADPLFICI-AWEZNQCLSA-N -1 3 424.238 3.532 20 0 HHADHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc2c(c1)CCC(=O)N2CC(F)(F)F ZINC000436200926 981246665 /nfs/dbraw/zinc/24/66/65/981246665.db2.gz SUFOBPDNUKYUHU-UHFFFAOYSA-N -1 3 416.396 3.776 20 0 HHADHM Cc1ccc(-c2ccc(C(=O)NCCNC(=O)c3ccc([O-])cc3)c(F)c2)cc1C ZINC000436483702 981395995 /nfs/dbraw/zinc/39/59/95/981395995.db2.gz FYDAOMDDXWUDON-UHFFFAOYSA-N -1 3 406.457 3.975 20 0 HHADHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1ccccc1OCCc1ccccc1 ZINC000436489824 981398042 /nfs/dbraw/zinc/39/80/42/981398042.db2.gz YUUGIDCIMDJYJN-UHFFFAOYSA-N -1 3 419.481 3.565 20 0 HHADHM O=C(Nc1ccccc1Cc1ccccc1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436489075 981398096 /nfs/dbraw/zinc/39/80/96/981398096.db2.gz WSVLAHCEWILSMZ-UHFFFAOYSA-N -1 3 415.493 3.973 20 0 HHADHM CCCN(C(=O)c1cc(OC)c([O-])c(OC)c1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000436497773 981401878 /nfs/dbraw/zinc/40/18/78/981401878.db2.gz UVOQOHQNIURITL-OAHLLOKOSA-N -1 3 400.475 3.679 20 0 HHADHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1cccc(OCCc2ccccc2)c1 ZINC000436511913 981410579 /nfs/dbraw/zinc/41/05/79/981410579.db2.gz JTDPBHRRQZIWLL-UHFFFAOYSA-N -1 3 419.481 3.565 20 0 HHADHM C[C@@H](Cc1cccc(Cl)c1)C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436522160 981415064 /nfs/dbraw/zinc/41/50/64/981415064.db2.gz KCNQCWXIHQRVKH-HNNXBMFYSA-N -1 3 400.906 3.645 20 0 HHADHM Cc1noc2ncc(NC(=O)C[C@@H](NC(=O)c3ccc([O-])cc3)c3ccccc3)cc12 ZINC000436527589 981419962 /nfs/dbraw/zinc/41/99/62/981419962.db2.gz UHRWCOBOXKMUNC-HXUWFJFHSA-N -1 3 416.437 3.737 20 0 HHADHM O=C(Nc1cccc(COCc2ccco2)c1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436528088 981421072 /nfs/dbraw/zinc/42/10/72/981421072.db2.gz GISLZCQJTDXFCJ-OAQYLSRUSA-N -1 3 420.465 3.945 20 0 HHADHM COc1ncc(C)cc1NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436528967 981421962 /nfs/dbraw/zinc/42/19/62/981421962.db2.gz QDNCANUKNIKGOH-IBGZPJMESA-N -1 3 405.454 3.604 20 0 HHADHM CC(C)N(C)C(=O)[C@@H]1CSCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436541742 981431225 /nfs/dbraw/zinc/43/12/25/981431225.db2.gz ZPAOWVDIRZUXHQ-SFHVURJKSA-N -1 3 400.500 3.566 20 0 HHADHM NC(=O)c1ccn(-c2ccc(NC(=O)c3cc(Cc4ccccc4)ccc3[O-])cc2)n1 ZINC000436543470 981432020 /nfs/dbraw/zinc/43/20/20/981432020.db2.gz LOGNHSIKWVSSLI-UHFFFAOYSA-N -1 3 412.449 3.520 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCc1nc(C2CC2)cs1 ZINC000436552596 981438093 /nfs/dbraw/zinc/43/80/93/981438093.db2.gz ACSVQWBGFGWSHC-IBGZPJMESA-N -1 3 421.522 3.904 20 0 HHADHM O=C(Nc1ccccc1-c1nnc(-c2ccccc2)[nH]1)c1cc2c(cc1[O-])OCO2 ZINC000436559229 981444053 /nfs/dbraw/zinc/44/40/53/981444053.db2.gz ZJLYSYFFEOVHEC-UHFFFAOYSA-N -1 3 400.394 3.825 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C)c1 ZINC000436560938 981444493 /nfs/dbraw/zinc/44/44/93/981444493.db2.gz DMVRCHLPUMOIJX-BONVTDFDSA-N -1 3 411.380 3.744 20 0 HHADHM CC(C)C[C@@H]1C[C@@H](NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCO1 ZINC000436562712 981446243 /nfs/dbraw/zinc/44/62/43/981446243.db2.gz NVXHPGAWRQIIEW-WWNPGLIZSA-N -1 3 424.541 3.963 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCC[C@H]1C1CCOCC1 ZINC000436563784 981447106 /nfs/dbraw/zinc/44/71/06/981447106.db2.gz QPEOWUJNQYJOGH-GOTSBHOMSA-N -1 3 422.525 3.671 20 0 HHADHM CSCCCCCNC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000436566805 981449096 /nfs/dbraw/zinc/44/90/96/981449096.db2.gz QUIBIEPJCRWVPP-UHFFFAOYSA-N -1 3 407.561 3.601 20 0 HHADHM CN1CCc2ccc(NC(=O)C[C@@H](NC(=O)c3ccc([O-])cc3)c3ccccc3)cc21 ZINC000436567180 981449344 /nfs/dbraw/zinc/44/93/44/981449344.db2.gz ZHDWNQKEZJYUMT-JOCHJYFZSA-N -1 3 415.493 3.884 20 0 HHADHM Cc1nc(CN2CCN(C(=O)c3cc(Oc4ccccc4)ccc3[O-])CC2)oc1C ZINC000436570304 981450895 /nfs/dbraw/zinc/45/08/95/981450895.db2.gz OROVLNNMRLCRBJ-UHFFFAOYSA-N -1 3 407.470 3.747 20 0 HHADHM COc1ccc(C(=O)N2CCN([C@@H](C)c3ccc(Br)cc3)CC2)c([O-])c1 ZINC000436588607 981462115 /nfs/dbraw/zinc/46/21/15/981462115.db2.gz IGLNFLJMUUJJLX-AWEZNQCLSA-N -1 3 419.319 3.682 20 0 HHADHM CCO[C@@H](C)c1noc(CN(C)C(=O)c2cc(CCc3ccccc3)ccc2[O-])n1 ZINC000436589654 981462749 /nfs/dbraw/zinc/46/27/49/981462749.db2.gz KVZUULDFQWRRIY-INIZCTEOSA-N -1 3 409.486 3.930 20 0 HHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCn2c(nnc2C2CCCC2)C1 ZINC000436592886 981464372 /nfs/dbraw/zinc/46/43/72/981464372.db2.gz AJXMAYDMGRRHCA-UHFFFAOYSA-N -1 3 402.498 3.888 20 0 HHADHM O=C(c1ccccc1)N1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000436594682 981465020 /nfs/dbraw/zinc/46/50/20/981465020.db2.gz GCHQOCVDQHRTRJ-UHFFFAOYSA-N -1 3 414.505 3.776 20 0 HHADHM C[C@@H](c1nnc(-c2ccccc2F)s1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436595129 981465754 /nfs/dbraw/zinc/46/57/54/981465754.db2.gz LAMIQMGPCJAISX-AWEZNQCLSA-N -1 3 412.490 3.569 20 0 HHADHM COc1ccc2sc(C(=O)NC3CCN(C(=O)c4ccccc4[O-])CC3)c(C)c2c1 ZINC000436596722 981466365 /nfs/dbraw/zinc/46/63/65/981466365.db2.gz RAPIEGPDEXCIKL-UHFFFAOYSA-N -1 3 424.522 3.959 20 0 HHADHM CNC(=O)c1ccc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)cn1 ZINC000436604327 981469791 /nfs/dbraw/zinc/46/97/91/981469791.db2.gz NVYVGMJQXAACBL-UHFFFAOYSA-N -1 3 404.451 3.676 20 0 HHADHM COc1ccc(-c2csc(NC(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])n2)cc1 ZINC000436604379 981469818 /nfs/dbraw/zinc/46/98/18/981469818.db2.gz IYKQKMVQYOFFHH-GOSISDBHSA-N -1 3 423.494 3.768 20 0 HHADHM Cc1nc(C)c(CC(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)c(=O)[n-]1 ZINC000436609714 981472929 /nfs/dbraw/zinc/47/29/29/981472929.db2.gz SEFAQTHSCPCXPU-UHFFFAOYSA-N -1 3 406.467 3.963 20 0 HHADHM O=C(Nc1cccc(NCC(F)(F)F)c1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436614569 981475367 /nfs/dbraw/zinc/47/53/67/981475367.db2.gz ZECCYSNKFSCVPQ-INIZCTEOSA-N -1 3 407.392 3.610 20 0 HHADHM CCN(Cc1ccncc1)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436617136 981476630 /nfs/dbraw/zinc/47/66/30/981476630.db2.gz HJGAAVOVKKOERR-QFIPXVFZSA-N -1 3 403.482 3.697 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCOc2ccccc21 ZINC000436619281 981477767 /nfs/dbraw/zinc/47/77/67/981477767.db2.gz QVXJAOCOQLAJIU-FQEVSTJZSA-N -1 3 402.450 3.679 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCOc2ccccc21 ZINC000436619283 981477877 /nfs/dbraw/zinc/47/78/77/981477877.db2.gz QVXJAOCOQLAJIU-HXUWFJFHSA-N -1 3 402.450 3.679 20 0 HHADHM CCOc1ccccc1CN(CCCn1ccnc1)C(=O)c1ccc(OC)cc1[O-] ZINC000436619164 981477894 /nfs/dbraw/zinc/47/78/94/981477894.db2.gz VOJBYDNRTRMJRK-UHFFFAOYSA-N -1 3 409.486 3.729 20 0 HHADHM CC[C@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])Oc1ccccc1Cl ZINC000436623511 981480290 /nfs/dbraw/zinc/48/02/90/981480290.db2.gz GUFAJESENBIMEU-QAPCUYQASA-N -1 3 416.905 3.624 20 0 HHADHM CCCC[C@@H](NC(=O)c1ccc(O)cc1[O-])C(=O)Nc1cccc(N2CCCC2)c1 ZINC000436628107 981482606 /nfs/dbraw/zinc/48/26/06/981482606.db2.gz WUQWXLWXPSZEGX-HXUWFJFHSA-N -1 3 411.502 3.625 20 0 HHADHM COc1ccc(C)cc1NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000436634478 981485151 /nfs/dbraw/zinc/48/51/51/981485151.db2.gz LOBDZCHXECBEOR-UHFFFAOYSA-N -1 3 411.483 3.908 20 0 HHADHM COc1cc(O)cc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC000436637911 981487612 /nfs/dbraw/zinc/48/76/12/981487612.db2.gz YQMUBFDWAFLPTO-NRFANRHFSA-N -1 3 406.438 3.606 20 0 HHADHM O=C(CSc1ccc2ccccc2c1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436653054 981493336 /nfs/dbraw/zinc/49/33/36/981493336.db2.gz CHNKYERWRJRJDJ-UHFFFAOYSA-N -1 3 406.507 3.622 20 0 HHADHM O=C(Nc1cccc(OCC(F)(F)F)c1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436656221 981494671 /nfs/dbraw/zinc/49/46/71/981494671.db2.gz PRLLQXMJLFAMSZ-MRXNPFEDSA-N -1 3 408.376 3.577 20 0 HHADHM Cc1cc(C)cc(C2=CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])CC2)c1 ZINC000436656475 981495218 /nfs/dbraw/zinc/49/52/18/981495218.db2.gz GJMVJGUXERZBOE-QFIPXVFZSA-N -1 3 404.510 3.930 20 0 HHADHM O=C(c1cc2c(s1)-c1ccccc1OC2)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436658683 981496189 /nfs/dbraw/zinc/49/61/89/981496189.db2.gz VZBGPZJUNBDXBT-UHFFFAOYSA-N -1 3 420.490 3.611 20 0 HHADHM COc1ccc(CNC(=O)c2cc(OC)c([O-])c(OC)c2)cc1OC1CCCC1 ZINC000436661341 981497761 /nfs/dbraw/zinc/49/77/61/981497761.db2.gz FIILOTXEKXIMSM-UHFFFAOYSA-N -1 3 401.459 3.669 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2C[C@@H](c3ccccc3)O[C@@H](C)C2)c1 ZINC000436665503 981499906 /nfs/dbraw/zinc/49/99/06/981499906.db2.gz PDYITNRROCSMQF-QKKBWIMNSA-N -1 3 421.453 3.543 20 0 HHADHM CCOC1CC2(C1)CCN(C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C2 ZINC000436667377 981500697 /nfs/dbraw/zinc/50/06/97/981500697.db2.gz UBMFICAXYMQLRQ-SMCIBBBJSA-N -1 3 422.525 3.671 20 0 HHADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CC[C@@](F)(c2cccc(Cl)c2)C1 ZINC000436668433 981501348 /nfs/dbraw/zinc/50/13/48/981501348.db2.gz WSRGIWVXFZOLAA-GCJKJVERSA-N -1 3 416.880 3.748 20 0 HHADHM CC(C)(CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])c1ccccc1Cl ZINC000436670757 981502516 /nfs/dbraw/zinc/50/25/16/981502516.db2.gz HCTCBPVAQDDYRQ-GOSISDBHSA-N -1 3 400.906 3.744 20 0 HHADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)CC1 ZINC000436669976 981502632 /nfs/dbraw/zinc/50/26/32/981502632.db2.gz CGBZQYXQVQUHKI-XZOQPEGZSA-N -1 3 400.478 3.634 20 0 HHADHM O=C(Nc1ccc(OCc2ccncc2)cc1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436675848 981505979 /nfs/dbraw/zinc/50/59/79/981505979.db2.gz MEGUCHWYUURUBK-NRFANRHFSA-N -1 3 417.465 3.610 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)Nc2cc(Cc3ccccn3)ccc2C)c([O-])c1 ZINC000436682650 981510145 /nfs/dbraw/zinc/51/01/45/981510145.db2.gz RAYQDSILEHTDSX-UHFFFAOYSA-N -1 3 403.482 3.753 20 0 HHADHM O=C(NCCNC(=O)c1cc(C2CC2)nc2ccc(Cl)cc21)c1ccc([O-])cc1 ZINC000436683015 981510308 /nfs/dbraw/zinc/51/03/08/981510308.db2.gz SHHWJRAJPYHKAW-UHFFFAOYSA-N -1 3 409.873 3.631 20 0 HHADHM Cc1ccccc1C1(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)CCCC1 ZINC000436693957 981517114 /nfs/dbraw/zinc/51/71/14/981517114.db2.gz ACJIYHNIDRYBRG-UHFFFAOYSA-N -1 3 406.526 3.933 20 0 HHADHM CC(C)c1ccc(C(=O)NCc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)c([O-])c1 ZINC000436697410 981518793 /nfs/dbraw/zinc/51/87/93/981518793.db2.gz MQAYWBFOLFNBAF-UHFFFAOYSA-N -1 3 415.433 3.868 20 0 HHADHM COc1cc(Cl)c(Cl)cc1C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436705785 981521995 /nfs/dbraw/zinc/52/19/95/981521995.db2.gz ODLHKFJHVNNSGN-UHFFFAOYSA-N -1 3 423.296 3.742 20 0 HHADHM [O-]c1ccccc1-c1nc(CSc2nnc(N3CCCC3)n2Cc2ccco2)no1 ZINC000436709625 981524368 /nfs/dbraw/zinc/52/43/68/981524368.db2.gz YSKMHYMIBCWPFF-UHFFFAOYSA-N -1 3 424.486 3.568 20 0 HHADHM Cc1noc(C)c1C(C)(C)NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436711405 981524828 /nfs/dbraw/zinc/52/48/28/981524828.db2.gz HPIXTHCXRVWIGW-HXUWFJFHSA-N -1 3 421.497 3.910 20 0 HHADHM C[C@@H](NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccccc1C(F)(F)F ZINC000436713617 981526002 /nfs/dbraw/zinc/52/60/02/981526002.db2.gz FTGLKFCBDOWSQS-CQSZACIVSA-N -1 3 421.419 3.640 20 0 HHADHM Cc1c(NCC(C)(C)C)cccc1C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436715768 981527619 /nfs/dbraw/zinc/52/76/19/981527619.db2.gz QNOLDHBGSKUKCP-UHFFFAOYSA-N -1 3 409.530 3.757 20 0 HHADHM O=C(N[C@@H]1CCCC[C@H]1c1ccccc1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436716551 981528211 /nfs/dbraw/zinc/52/82/11/981528211.db2.gz QPXWIQMVGCPXGS-PZJWPPBQSA-N -1 3 407.514 3.586 20 0 HHADHM O=C(Nc1nnc(C2CCOCC2)s1)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436721084 981531329 /nfs/dbraw/zinc/53/13/29/981531329.db2.gz LFNGAQLVOPOHCG-UHFFFAOYSA-N -1 3 411.483 3.969 20 0 HHADHM C[C@H](NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1cc(Cl)ccc1Cl ZINC000436725327 981532546 /nfs/dbraw/zinc/53/25/46/981532546.db2.gz QGEYZLODJPWRQT-ZDUSSCGKSA-N -1 3 422.312 3.928 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)Nc2nnc(-c3ccccc3Cl)s2)c([O-])c1 ZINC000436726182 981533197 /nfs/dbraw/zinc/53/31/97/981533197.db2.gz WXJMYSLYISDUBA-UHFFFAOYSA-N -1 3 416.890 3.631 20 0 HHADHM COc1cc([C@@H](C)NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)ccn1 ZINC000436737301 981538958 /nfs/dbraw/zinc/53/89/58/981538958.db2.gz IKHVQLSFGYQWTP-IIBYNOLFSA-N -1 3 419.481 3.534 20 0 HHADHM Cc1cccc([C@@H](NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)C(C)(C)C)c1 ZINC000436741815 981540641 /nfs/dbraw/zinc/54/06/41/981540641.db2.gz UQXCFVPXNCSGDS-OAQYLSRUSA-N -1 3 409.530 3.955 20 0 HHADHM O=C(Nc1ncc(C2CCCCC2)s1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436744136 981541953 /nfs/dbraw/zinc/54/19/53/981541953.db2.gz JQHWGLPBDOITHZ-UHFFFAOYSA-N -1 3 414.531 3.886 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)N[C@H](C)c2ccc(Oc3cccnc3)cc2)c([O-])c1 ZINC000436745075 981542144 /nfs/dbraw/zinc/54/21/44/981542144.db2.gz AJUZUCHRJAOKDY-QGZVFWFLSA-N -1 3 419.481 3.885 20 0 HHADHM COc1ccc(CN2CCCN(C(=O)c3ccc(C(F)(F)F)cc3[O-])CC2)cc1 ZINC000436750569 981544451 /nfs/dbraw/zinc/54/44/51/981544451.db2.gz GVUSACGVESKWJG-UHFFFAOYSA-N -1 3 408.420 3.768 20 0 HHADHM O=C(NC[C@@H]1CCCO1)Nc1ccc(NC(=O)c2cc3c(cc2[O-])CCCC3)cc1 ZINC000436752669 981545912 /nfs/dbraw/zinc/54/59/12/981545912.db2.gz AEZUKQJKRYXNSK-IBGZPJMESA-N -1 3 409.486 3.824 20 0 HHADHM C[C@@H](Sc1ccccc1Cl)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436765508 981552486 /nfs/dbraw/zinc/55/24/86/981552486.db2.gz BSVTTZPLWIOLMO-CQSZACIVSA-N -1 3 404.919 3.511 20 0 HHADHM O=C(Nc1ncc(-c2ccccc2)s1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436765090 981552554 /nfs/dbraw/zinc/55/25/54/981552554.db2.gz OWOWHDRVOLNRSM-UHFFFAOYSA-N -1 3 408.483 3.506 20 0 HHADHM Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436771981 981555065 /nfs/dbraw/zinc/55/50/65/981555065.db2.gz YSUSNDCMXOAYPB-GOSISDBHSA-N -1 3 410.514 3.576 20 0 HHADHM COc1cccc(Nc2nnc(SCc3noc(-c4ccccc4[O-])n3)s2)c1 ZINC000436773392 981555485 /nfs/dbraw/zinc/55/54/85/981555485.db2.gz JAWIIDGZXNMIEE-UHFFFAOYSA-N -1 3 413.484 4.338 20 0 HHADHM O=C(CC(c1ccccc1)c1ccccc1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436775186 981555985 /nfs/dbraw/zinc/55/59/85/981555985.db2.gz PDSLACRGNSDQBE-UHFFFAOYSA-N -1 3 414.505 3.899 20 0 HHADHM COc1cc(-c2ccccc2)sc1C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436778725 981557519 /nfs/dbraw/zinc/55/75/19/981557519.db2.gz HSAFRNFXDXWVLQ-UHFFFAOYSA-N -1 3 422.506 3.728 20 0 HHADHM [O-]c1ccccc1-c1nc(CSc2nnc(NCc3ccc(F)cc3)s2)no1 ZINC000436778639 981557737 /nfs/dbraw/zinc/55/77/37/981557737.db2.gz SEAYFQTXHBZHFP-UHFFFAOYSA-N -1 3 415.475 4.337 20 0 HHADHM O=C(c1ccccc1[O-])N1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1 ZINC000436779688 981558061 /nfs/dbraw/zinc/55/80/61/981558061.db2.gz MCQJKZONASERAW-UHFFFAOYSA-N -1 3 402.450 3.783 20 0 HHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCCN(Cc2cscn2)CC1 ZINC000436789323 981561928 /nfs/dbraw/zinc/56/19/28/981561928.db2.gz BIBUGBFJUNHPOR-UHFFFAOYSA-N -1 3 421.566 3.982 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCOC[C@@H](C2CCC2)C1 ZINC000436789126 981561999 /nfs/dbraw/zinc/56/19/99/981561999.db2.gz CLKLVLDOTYXOID-GMAHTHKFSA-N -1 3 422.525 3.529 20 0 HHADHM Cc1coc(-c2cccc(NC(=O)NC3CCN(C(=O)c4ccccc4[O-])CC3)c2)n1 ZINC000436791654 981563467 /nfs/dbraw/zinc/56/34/67/981563467.db2.gz LFPFKXQFLJBMTO-UHFFFAOYSA-N -1 3 420.469 3.782 20 0 HHADHM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436814102 981573497 /nfs/dbraw/zinc/57/34/97/981573497.db2.gz RDQIGDKUABQZSP-LJQANCHMSA-N -1 3 415.921 3.534 20 0 HHADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000436818725 981575256 /nfs/dbraw/zinc/57/52/56/981575256.db2.gz BIHKUDXCJAQQDS-HXUWFJFHSA-N -1 3 423.900 3.647 20 0 HHADHM CC(C)CN1CCN(C(=O)c2ccsc2NC(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000436819385 981575948 /nfs/dbraw/zinc/57/59/48/981575948.db2.gz IECPBYHQECMJMB-UHFFFAOYSA-N -1 3 421.950 3.773 20 0 HHADHM COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000436820700 981575970 /nfs/dbraw/zinc/57/59/70/981575970.db2.gz MGUKVHCMBZNFCW-CQSZACIVSA-N -1 3 420.893 3.526 20 0 HHADHM CSc1c(F)cc(NC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1F ZINC000436823942 981576958 /nfs/dbraw/zinc/57/69/58/981576958.db2.gz DVCWDODCQLNBNS-UHFFFAOYSA-N -1 3 421.469 3.819 20 0 HHADHM CCN1CC[C@@H](NC(=O)c2cc(OC)c([O-])c(OC)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000436829820 981580215 /nfs/dbraw/zinc/58/02/15/981580215.db2.gz BVOLTZDLUVYWGM-VQIMIIECSA-N -1 3 422.884 3.767 20 0 HHADHM CN(CC1(O)CCCCCC1)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436830412 981580269 /nfs/dbraw/zinc/58/02/69/981580269.db2.gz CXRMDKOWCKSOSQ-QFIPXVFZSA-N -1 3 424.541 3.797 20 0 HHADHM CCc1ccc(C(=O)N[C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)c([O-])c1 ZINC000436829932 981580441 /nfs/dbraw/zinc/58/04/41/981580441.db2.gz BUYJIEALGZNZDP-QFIPXVFZSA-N -1 3 409.507 3.878 20 0 HHADHM CCN1CC[C@H](NC(=O)c2cc(OC)c([O-])c(OC)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000436829813 981580466 /nfs/dbraw/zinc/58/04/66/981580466.db2.gz BVOLTZDLUVYWGM-LPHOPBHVSA-N -1 3 422.884 3.767 20 0 HHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCc2c(nnn2-c2ccccc2)C1 ZINC000436831481 981580951 /nfs/dbraw/zinc/58/09/51/981580951.db2.gz PPAQDQXCEKRRCD-UHFFFAOYSA-N -1 3 410.477 3.762 20 0 HHADHM CN(CCc1ccccc1O)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436832790 981581662 /nfs/dbraw/zinc/58/16/62/981581662.db2.gz KJSLZAADBSYFBB-QFIPXVFZSA-N -1 3 418.493 3.660 20 0 HHADHM O=C(CCSc1ccccc1Cl)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436837367 981583764 /nfs/dbraw/zinc/58/37/64/981583764.db2.gz GKFWLFVOVRJLAX-UHFFFAOYSA-N -1 3 404.919 3.512 20 0 HHADHM O=C(Nc1nnc(-c2cccc(Br)c2)s1)c1cc2c(cc1[O-])OCO2 ZINC000436850813 981590704 /nfs/dbraw/zinc/59/07/04/981590704.db2.gz IUXLHMLRSIUETB-UHFFFAOYSA-N -1 3 420.244 3.654 20 0 HHADHM COc1ccc(C2(C(=O)N3CCN(C(=O)c4ccc([O-])cc4)CC3)CCCCC2)cc1 ZINC000436883896 981600652 /nfs/dbraw/zinc/60/06/52/981600652.db2.gz CUHBNAYEXUFWDG-UHFFFAOYSA-N -1 3 422.525 3.587 20 0 HHADHM Cc1ccc2nc(C3CC3)cc(C(=O)N3CCN(C(=O)c4ccccc4[O-])CC3)c2c1 ZINC000436884748 981601134 /nfs/dbraw/zinc/60/11/34/981601134.db2.gz HEELPQHOLPKWNY-UHFFFAOYSA-N -1 3 415.493 3.724 20 0 HHADHM CC(C)COc1ccc(C(C)(C)C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436889352 981602575 /nfs/dbraw/zinc/60/25/75/981602575.db2.gz XVHUTYJSOCFFDU-UHFFFAOYSA-N -1 3 424.541 3.689 20 0 HHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000436889126 981602583 /nfs/dbraw/zinc/60/25/83/981602583.db2.gz PLNSUWFBGNIDNQ-NFBKMPQASA-N -1 3 418.537 3.793 20 0 HHADHM O=C(N[C@@H]1C[C@H]1c1cccc2ccccc21)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436893281 981603820 /nfs/dbraw/zinc/60/38/20/981603820.db2.gz MMKQEWJWVNJCEK-FCHUYYIVSA-N -1 3 415.493 3.569 20 0 HHADHM COc1cccc(CN(C)C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC000436900957 981607134 /nfs/dbraw/zinc/60/71/34/981607134.db2.gz FSEKIDYPNQNHHV-QHCPKHFHSA-N -1 3 418.493 3.921 20 0 HHADHM CC(C)c1ccc(-c2nc(-c3ccc(C(=O)N4CCN(C)CC4)cc3)no2)c([O-])c1 ZINC000436901203 981607820 /nfs/dbraw/zinc/60/78/20/981607820.db2.gz GDTMOICCGRGVLI-UHFFFAOYSA-N -1 3 406.486 3.620 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCCOC1CCCCC1 ZINC000436905887 981611924 /nfs/dbraw/zinc/61/19/24/981611924.db2.gz BNYVIRBZOMTNPK-JOCHJYFZSA-N -1 3 410.514 3.719 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCCOc1ccc(F)cc1 ZINC000436909097 981614660 /nfs/dbraw/zinc/61/46/60/981614660.db2.gz KXLNRAXSQILGQS-JOCHJYFZSA-N -1 3 422.456 3.588 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCc1ccc(F)c(F)c1 ZINC000436910805 981616814 /nfs/dbraw/zinc/61/68/14/981616814.db2.gz DOAPFRJQZVECPD-NRFANRHFSA-N -1 3 410.420 3.848 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCc1ccc(F)c(F)c1 ZINC000436910807 981617078 /nfs/dbraw/zinc/61/70/78/981617078.db2.gz DOAPFRJQZVECPD-OAQYLSRUSA-N -1 3 410.420 3.848 20 0 HHADHM C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436912082 981617718 /nfs/dbraw/zinc/61/77/18/981617718.db2.gz CHZLTQANRGXFIY-QGZVFWFLSA-N -1 3 413.477 3.511 20 0 HHADHM CC(C)Cc1nnc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)s1 ZINC000436915707 981621216 /nfs/dbraw/zinc/62/12/16/981621216.db2.gz SETCPYZZUPTAPE-SFHVURJKSA-N -1 3 424.526 3.942 20 0 HHADHM CC(C)(C)CC[C@H](CO)NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436924191 981627089 /nfs/dbraw/zinc/62/70/89/981627089.db2.gz BNGKHPWIFYVDEO-CTNGQTDRSA-N -1 3 412.530 3.557 20 0 HHADHM CCN1CCN(c2ccc(-c3noc(-c4ccc5ccccc5c4[O-])n3)cn2)CC1 ZINC000436931449 981631011 /nfs/dbraw/zinc/63/10/11/981631011.db2.gz JNJYMUWDRZHTOF-UHFFFAOYSA-N -1 3 401.470 3.799 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCCCNc1ccccc1 ZINC000436932597 981631831 /nfs/dbraw/zinc/63/18/31/981631831.db2.gz OLFHICASXPSCAT-QHCPKHFHSA-N -1 3 417.509 3.872 20 0 HHADHM CC(C)Cn1ccnc1NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436934149 981632737 /nfs/dbraw/zinc/63/27/37/981632737.db2.gz RVZAPWLYPVJLFM-FQEVSTJZSA-N -1 3 406.486 3.745 20 0 HHADHM C[C@H]1CN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCC1(F)F ZINC000436939170 981634814 /nfs/dbraw/zinc/63/48/14/981634814.db2.gz NYDZLROEMSZPHM-HNAYVOBHSA-N -1 3 402.441 3.757 20 0 HHADHM CN(c1ccccc1NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)C1CCCC1 ZINC000436939179 981634897 /nfs/dbraw/zinc/63/48/97/981634897.db2.gz NZZKAWAPOBQLFU-UHFFFAOYSA-N -1 3 422.529 3.761 20 0 HHADHM Cc1ccc2c(CC(=O)NC3CCN(C(=O)c4ccccc4[O-])CC3)coc2c1C ZINC000436940937 981635522 /nfs/dbraw/zinc/63/55/22/981635522.db2.gz AXJUZMKGXWUBDX-UHFFFAOYSA-N -1 3 406.482 3.719 20 0 HHADHM COc1cccc(-c2nc(-c3cc(C(F)(F)F)ccc3-n3cncn3)no2)c1[O-] ZINC000436941737 981636184 /nfs/dbraw/zinc/63/61/84/981636184.db2.gz RZVUSUYNMLANEJ-UHFFFAOYSA-N -1 3 403.320 3.717 20 0 HHADHM COc1ccc(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c2ccccc12 ZINC000436943789 981636871 /nfs/dbraw/zinc/63/68/71/981636871.db2.gz GYTVTKLDAMNFTO-UHFFFAOYSA-N -1 3 404.466 3.589 20 0 HHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1cccc2c3c([nH]c21)CCCC3 ZINC000436943403 981636918 /nfs/dbraw/zinc/63/69/18/981636918.db2.gz FTAUDBLGEURBMV-UHFFFAOYSA-N -1 3 417.509 3.787 20 0 HHADHM COc1ccc2c(c1)CCC[C@H]2CC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436947914 981639191 /nfs/dbraw/zinc/63/91/91/981639191.db2.gz VZZNLRCOQOPRCS-SFHVURJKSA-N -1 3 422.525 3.632 20 0 HHADHM Cc1cccc(C2(CNC(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])CCCC2)c1 ZINC000436950240 981640738 /nfs/dbraw/zinc/64/07/38/981640738.db2.gz OLDFIDMGKOQZLL-NRFANRHFSA-N -1 3 406.526 3.933 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc(-c3cnc(C4CC4)o3)cc2)c([O-])c1 ZINC000436955156 981644211 /nfs/dbraw/zinc/64/42/11/981644211.db2.gz ZPAQDTISAVFOSF-UHFFFAOYSA-N -1 3 405.454 3.992 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H](c3ccccc3C)C2)c1 ZINC000436959164 981647959 /nfs/dbraw/zinc/64/79/59/981647959.db2.gz GMAXOOMDXUNFDO-INIZCTEOSA-N -1 3 405.454 3.879 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC[C@H](C)c2ccc(F)cc2F)c1 ZINC000436959951 981648842 /nfs/dbraw/zinc/64/88/42/981648842.db2.gz BNTNYWVWMUEYMH-NSHDSACASA-N -1 3 415.396 3.753 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2C[C@H](c3ccccc3)C[C@@H]2C)c1 ZINC000436964684 981652092 /nfs/dbraw/zinc/65/20/92/981652092.db2.gz MWFAHIGFMVTZLK-WMLDXEAASA-N -1 3 405.454 3.959 20 0 HHADHM Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1cc(F)c([O-])c(F)c1 ZINC000436968604 981654696 /nfs/dbraw/zinc/65/46/96/981654696.db2.gz ULWSSEYGQOOKPT-KRWDZBQOSA-N -1 3 412.440 3.875 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H]2c3ccccc3CC[C@H]2C)c1 ZINC000436970365 981656189 /nfs/dbraw/zinc/65/61/89/981656189.db2.gz DERLUZFTKFDQEI-LRTDBIEQSA-N -1 3 405.454 3.994 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2C[C@@H](C)C[C@@H]2c2cccnc2)c1 ZINC000436982978 981666059 /nfs/dbraw/zinc/66/60/59/981666059.db2.gz WEVYIEDTSVSOQE-ORAYPTAESA-N -1 3 406.442 3.559 20 0 HHADHM 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ZINC000436999954 981677719 /nfs/dbraw/zinc/67/77/19/981677719.db2.gz GQAKKAKYAGPCFZ-DHLKQENFSA-N -1 3 424.541 3.701 20 0 HHADHM COc1cccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3cccc4ccccc43)n2)c1 ZINC000437255817 981913491 /nfs/dbraw/zinc/91/34/91/981913491.db2.gz ZJFMCABYEBCBQG-CQSZACIVSA-N -1 3 409.467 3.938 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000437285672 981939386 /nfs/dbraw/zinc/93/93/86/981939386.db2.gz FCWIGBIMQHROBW-XZOQPEGZSA-N -1 3 424.504 3.898 20 0 HHADHM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1ccc(CCN2CCOCC2)cc1 ZINC000437307260 981959400 /nfs/dbraw/zinc/95/94/00/981959400.db2.gz RXFLGUOPJVPIKP-UHFFFAOYSA-N -1 3 402.560 3.660 20 0 HHADHM C[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000437418430 982059313 /nfs/dbraw/zinc/05/93/13/982059313.db2.gz KVDLPQKAEVUYDC-VFNWGFHPSA-N -1 3 402.466 3.656 20 0 HHADHM Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)o1 ZINC000437463107 982095056 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20 0 HHADHM CCc1ncc(S(=O)(=O)[N-][C@H](C)c2cccc(OCc3ccccn3)c2)s1 ZINC000460964363 982694628 /nfs/dbraw/zinc/69/46/28/982694628.db2.gz SOBBODCSQXIFRQ-CQSZACIVSA-N -1 3 403.529 3.719 20 0 HHADHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1ccc(COCc2ccccc2)cc1 ZINC000438374415 982751987 /nfs/dbraw/zinc/75/19/87/982751987.db2.gz IEXWLDVELQJGSY-UHFFFAOYSA-N -1 3 419.481 3.661 20 0 HHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2c(C)cc(C)cc2Br)c(C)o1 ZINC000461110465 982799367 /nfs/dbraw/zinc/79/93/67/982799367.db2.gz WDJULLYAZOVAND-UHFFFAOYSA-N -1 3 402.266 3.555 20 0 HHADHM Cc1ncn(-c2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCCC(=O)N4)cc2)c1C ZINC000461224731 982934776 /nfs/dbraw/zinc/93/47/76/982934776.db2.gz GONDVHWSORTRKA-UHFFFAOYSA-N -1 3 410.499 3.565 20 0 HHADHM O=C(Nc1ccc(F)cc1OC(F)F)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000438649366 982967201 /nfs/dbraw/zinc/96/72/01/982967201.db2.gz UBPANVNVJFFDGE-UHFFFAOYSA-N -1 3 423.391 3.559 20 0 HHADHM O=C(c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)N1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000461314741 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MLSNFTINUSOWJR-UHFFFAOYSA-N -1 3 417.575 3.590 20 0 HHADHM Cc1ccccc1-c1nc(C[N-]S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)no1 ZINC000438896163 983141418 /nfs/dbraw/zinc/14/14/18/983141418.db2.gz MHFGVIDMHGTVMO-UHFFFAOYSA-N -1 3 412.298 3.971 20 0 HHADHM Cc1ccccc1-c1nc(C[N-]S(=O)(=O)c2ccc(Br)cc2C)no1 ZINC000438898804 983142862 /nfs/dbraw/zinc/14/28/62/983142862.db2.gz UFCFGXKOWNLKKK-UHFFFAOYSA-N -1 3 422.304 3.594 20 0 HHADHM COc1ccc(NC(=O)[C@H]2CO[C@H](C)C2)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000438971534 983186721 /nfs/dbraw/zinc/18/67/21/983186721.db2.gz UVMNANKUEDXOLC-CHWSQXEVSA-N -1 3 424.906 3.513 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@H]3CO[C@H](C)C3)ccc2C)cc1 ZINC000438972472 983187739 /nfs/dbraw/zinc/18/77/39/983187739.db2.gz WWYHTBDEEZZVHZ-HZPDHXFCSA-N -1 3 418.515 3.558 20 0 HHADHM O=S(=O)([N-]c1ccc2c(c1)CN(CC(F)F)C2)c1ccc(OCC(F)F)cc1 ZINC000438980834 983193099 /nfs/dbraw/zinc/19/30/99/983193099.db2.gz AMUJUWGMXSPWFZ-UHFFFAOYSA-N -1 3 418.412 3.712 20 0 HHADHM O=C(Nc1ccc(Oc2ccccn2)cc1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000439052331 983228774 /nfs/dbraw/zinc/22/87/74/983228774.db2.gz DXTSDYSXCBKOIW-IBGZPJMESA-N -1 3 403.438 3.823 20 0 HHADHM O=C(Nc1cccc(Oc2ccccn2)c1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000439053973 983229936 /nfs/dbraw/zinc/22/99/36/983229936.db2.gz GEDXPSPVXNHSKM-IBGZPJMESA-N -1 3 403.438 3.823 20 0 HHADHM Cn1c2cc([O-])c(NC(=O)c3cc(-c4ccccn4)ccc3Cl)cc2n(C)c1=O ZINC000461618684 983243003 /nfs/dbraw/zinc/24/30/03/983243003.db2.gz OXHQRCLXYIQSJW-UHFFFAOYSA-N -1 3 408.845 3.550 20 0 HHADHM CCC(CC)c1cc(C[N-]S(=O)(=O)c2ccc(F)c(Br)c2)on1 ZINC000439234490 983323050 /nfs/dbraw/zinc/32/30/50/983323050.db2.gz HPWIQRRHRWMLLY-UHFFFAOYSA-N -1 3 405.289 3.958 20 0 HHADHM CC(C)(C)c1csc(C[N-]S(=O)(=O)c2ccc(F)c(Br)c2)n1 ZINC000439237497 983324359 /nfs/dbraw/zinc/32/43/59/983324359.db2.gz NYPAWIILMSUMAR-UHFFFAOYSA-N -1 3 407.330 3.821 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)Nc3cccc([C@@H](C)OC)c3)c2)n1 ZINC000439553955 983447239 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3 410.459 3.503 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)Nc3ccc(C)c(CC)c3)c2)n1 ZINC000440559681 983796536 /nfs/dbraw/zinc/79/65/36/983796536.db2.gz RFBQDWXYOGVTJL-UHFFFAOYSA-N -1 3 404.470 3.860 20 0 HHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000440642973 983835387 /nfs/dbraw/zinc/83/53/87/983835387.db2.gz RHDPIJFVYPPCLQ-HNAYVOBHSA-N -1 3 424.444 3.920 20 0 HHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCCC[C@H]3O)cc2)c(C)c1 ZINC000442222717 984742177 /nfs/dbraw/zinc/74/21/77/984742177.db2.gz OGJZBXKZSRJNPW-WOJBJXKFSA-N -1 3 405.516 3.877 20 0 HHADHM O=S(=O)([N-]c1cc(Cl)cc(F)c1F)c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC000442235650 984756114 /nfs/dbraw/zinc/75/61/14/984756114.db2.gz IOYRDUVRVOWQJK-SNVBAGLBSA-N -1 3 421.824 3.973 20 0 HHADHM COC(=O)C1(c2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(F)c3F)cc2)CC1 ZINC000442250383 984772177 /nfs/dbraw/zinc/77/21/77/984772177.db2.gz MXVHPAQAPJBLFY-UHFFFAOYSA-N -1 3 401.818 3.624 20 0 HHADHM Cc1ccc(-n2[n-]c(C(=O)Nc3ccc(CN4CCSCC4)cc3C)cc2=O)cc1 ZINC000461985079 984968790 /nfs/dbraw/zinc/96/87/90/984968790.db2.gz GYQQPVCYFNMXCG-UHFFFAOYSA-N -1 3 422.554 3.584 20 0 HHADHM O=S(=O)([N-][C@H]1CCc2c1cccc2Br)c1cc(F)c(F)c(F)c1 ZINC000462160014 985134659 /nfs/dbraw/zinc/13/46/59/985134659.db2.gz STWHTTHYADBWKW-AWEZNQCLSA-N -1 3 406.223 3.832 20 0 HHADHM C[C@@H]1COCC[C@@H]1c1noc(-c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)n1 ZINC000442683114 985154520 /nfs/dbraw/zinc/15/45/20/985154520.db2.gz VDMVZIDAQPVAFR-CJNGLKHVSA-N -1 3 417.462 3.817 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](C)COc2cccc(F)c2)s1 ZINC000462184404 985164858 /nfs/dbraw/zinc/16/48/58/985164858.db2.gz BYKPUZJKUNVEIB-VIFPVBQESA-N -1 3 408.314 3.704 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C2CCN(c3ccccc3)CC2)s1 ZINC000462192153 985174446 /nfs/dbraw/zinc/17/44/46/985174446.db2.gz ONAMXRVHEJYZAY-UHFFFAOYSA-N -1 3 415.378 3.766 20 0 HHADHM Cc1ccc([C@H]2OCCC[C@@H]2[N-]S(=O)(=O)c2cnccc2C(F)(F)F)cc1 ZINC000442739789 985196345 /nfs/dbraw/zinc/19/63/45/985196345.db2.gz TVOYEXAMKRIBCA-DOTOQJQBSA-N -1 3 400.422 3.607 20 0 HHADHM COc1ccccc1SC[C@@H](C)C[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000442743358 985199090 /nfs/dbraw/zinc/19/90/90/985199090.db2.gz JZSTYDZCGSIFJZ-LBPRGKRZSA-N -1 3 420.478 3.816 20 0 HHADHM O=C1[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2Cl)CCCN1C1CCCCC1 ZINC000442753676 985203963 /nfs/dbraw/zinc/20/39/63/985203963.db2.gz WHPQEQZIHLEEHX-CQSZACIVSA-N -1 3 405.347 3.595 20 0 HHADHM C[C@@H](Cc1ccccc1Br)[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000442762194 985207959 /nfs/dbraw/zinc/20/79/59/985207959.db2.gz GSXCATCUETYZMT-JTQLQIEISA-N -1 3 423.254 3.772 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](c1ccc(Cl)cc1)[C@@H]1C[C@@H]1C ZINC000442810643 985222848 /nfs/dbraw/zinc/22/28/48/985222848.db2.gz ATYQCHAUQGJCSZ-UCMVZMLTSA-N -1 3 411.882 3.941 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C[C@H](C)Oc1cccc(F)c1 ZINC000442810797 985223115 /nfs/dbraw/zinc/22/31/15/985223115.db2.gz NWUDEOIBKQGGEO-LBPRGKRZSA-N -1 3 423.487 3.573 20 0 HHADHM O=S(=O)(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CCC[C@H]1c1cccc(Cl)c1 ZINC000442913695 985277169 /nfs/dbraw/zinc/27/71/69/985277169.db2.gz JBMOLFHXTAZOHQ-INIZCTEOSA-N -1 3 424.313 3.699 20 0 HHADHM O=S(=O)(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CCC[C@H]1c1cccc(Cl)c1 ZINC000442913695 985277178 /nfs/dbraw/zinc/27/71/78/985277178.db2.gz JBMOLFHXTAZOHQ-INIZCTEOSA-N -1 3 424.313 3.699 20 0 HHADHM O=S(=O)([N-]CCc1ccc(OC(F)(F)F)cc1)c1cnccc1C(F)(F)F ZINC000442917132 985278706 /nfs/dbraw/zinc/27/87/06/985278706.db2.gz FYNDZIBXDCHPKT-UHFFFAOYSA-N -1 3 414.327 3.520 20 0 HHADHM Cc1ccc([C@@H]2CCCCCN2S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)o1 ZINC000442942194 985293174 /nfs/dbraw/zinc/29/31/74/985293174.db2.gz HPBJVLUTERTLGD-INIZCTEOSA-N -1 3 421.910 3.728 20 0 HHADHM Cc1ccc([C@@H]2CCCCCN2S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)o1 ZINC000442942194 985293185 /nfs/dbraw/zinc/29/31/85/985293185.db2.gz HPBJVLUTERTLGD-INIZCTEOSA-N -1 3 421.910 3.728 20 0 HHADHM COCc1nc(CNC(=O)c2cc(OC)c([O-])c(OC)c2)c(-c2ccccc2)s1 ZINC000442971404 985309524 /nfs/dbraw/zinc/30/95/24/985309524.db2.gz IAYISVSHYSDDMU-UHFFFAOYSA-N -1 3 414.483 3.609 20 0 HHADHM O=S(=O)([N-]Cc1coc(-c2ccccc2)n1)c1ccc(F)cc1C(F)(F)F ZINC000462327025 985317009 /nfs/dbraw/zinc/31/70/09/985317009.db2.gz VJAUSUKPTYGYCB-UHFFFAOYSA-N -1 3 400.353 3.978 20 0 HHADHM O=S(=O)(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000443029105 985343544 /nfs/dbraw/zinc/34/35/44/985343544.db2.gz WQXBSCFZUIXISY-QGZVFWFLSA-N -1 3 421.885 3.575 20 0 HHADHM O=S(=O)(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000443029105 985343553 /nfs/dbraw/zinc/34/35/53/985343553.db2.gz WQXBSCFZUIXISY-QGZVFWFLSA-N -1 3 421.885 3.575 20 0 HHADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@H](CCc1ccccc1)c1ccccc1 ZINC000443033439 985346352 /nfs/dbraw/zinc/34/63/52/985346352.db2.gz OFJMMKWJCGQQIG-QGZVFWFLSA-N -1 3 416.524 3.582 20 0 HHADHM O=C1Cc2cc(S(=O)(=O)[N-]c3ccc(OC4CCCC4)cc3)cc3c2N1CCC3 ZINC000462361308 985348759 /nfs/dbraw/zinc/34/87/59/985348759.db2.gz SHTVHPFDWCVSQG-UHFFFAOYSA-N -1 3 412.511 3.644 20 0 HHADHM O=S(=O)([N-]C1(c2cccc(Br)c2)CC1)c1cc(F)c(F)c(F)c1 ZINC000462361960 985349468 /nfs/dbraw/zinc/34/94/68/985349468.db2.gz ZUMBZIHVJNYTBI-UHFFFAOYSA-N -1 3 406.223 3.834 20 0 HHADHM C[C@@H]([N-]S(=O)(=O)c1cnn(-c2ccccc2F)c1)c1ncc(-c2ccccc2)o1 ZINC000462364122 985351773 /nfs/dbraw/zinc/35/17/73/985351773.db2.gz VEBMXCQHSWGYPM-CQSZACIVSA-N -1 3 412.446 3.706 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]Cc1ccc(Oc2ccccc2)cc1 ZINC000443049336 985352834 /nfs/dbraw/zinc/35/28/34/985352834.db2.gz MYJUUGXXNXXRON-UHFFFAOYSA-N -1 3 415.442 3.883 20 0 HHADHM COCCCN1Cc2cccc([N-]S(=O)(=O)c3ccc(OC(C)C)c(C)c3)c2C1 ZINC000462380112 985362888 /nfs/dbraw/zinc/36/28/88/985362888.db2.gz MLVYFBFRYDIUHQ-UHFFFAOYSA-N -1 3 418.559 3.935 20 0 HHADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@@H](c1cccc(C(F)(F)F)c1)C(C)C ZINC000443077011 985364420 /nfs/dbraw/zinc/36/44/20/985364420.db2.gz DVTLFEYDQFSIIE-CYBMUJFWSA-N -1 3 422.450 3.624 20 0 HHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](c1ccc(OC)cc1)C(C)C ZINC000443097929 985373217 /nfs/dbraw/zinc/37/32/17/985373217.db2.gz WDHHTCWOKUMCMK-SFHVURJKSA-N -1 3 411.907 3.811 20 0 HHADHM CCC(CC)c1cc(C[N-]S(=O)(=O)c2ccc(Br)c(F)c2)on1 ZINC000462408552 985383985 /nfs/dbraw/zinc/38/39/85/985383985.db2.gz OALDCMACPSUFEB-UHFFFAOYSA-N -1 3 405.289 3.958 20 0 HHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H](c2nc(C)cs2)C2CC2)cc1Cl ZINC000462422228 985394293 /nfs/dbraw/zinc/39/42/93/985394293.db2.gz SBCUUIHSQNNYSU-HNNXBMFYSA-N -1 3 417.915 3.632 20 0 HHADHM COc1cccc(F)c1[C@H](C)[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000462422554 985394750 /nfs/dbraw/zinc/39/47/50/985394750.db2.gz ZQOMTXRGYWQBQF-QMMMGPOBSA-N -1 3 424.238 3.915 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000443131126 985395089 /nfs/dbraw/zinc/39/50/89/985395089.db2.gz QKZZMQOTCKSJLK-SMDDNHRTSA-N -1 3 423.462 3.801 20 0 HHADHM Cc1nc(C2([N-]S(=O)(=O)c3ccc(C)c(Br)c3)CCCCC2)no1 ZINC000462428007 985399525 /nfs/dbraw/zinc/39/95/25/985399525.db2.gz LROIVXANAZTHFA-UHFFFAOYSA-N -1 3 414.325 3.587 20 0 HHADHM CC(C)(CO)CCC[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000443248701 985459560 /nfs/dbraw/zinc/45/95/60/985459560.db2.gz LANYXRLWWSMWMV-UHFFFAOYSA-N -1 3 418.275 3.545 20 0 HHADHM CC[C@](C)([N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC)c1nccs1 ZINC000443257192 985460407 /nfs/dbraw/zinc/46/04/07/985460407.db2.gz XYEVVXICHQTDCW-KRWDZBQOSA-N -1 3 410.542 3.748 20 0 HHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H](CC(C)C)c1ccccc1OC ZINC000443341047 985506949 /nfs/dbraw/zinc/50/69/49/985506949.db2.gz KUJMCEFFYUYWGG-QGZVFWFLSA-N -1 3 409.479 3.687 20 0 HHADHM COC(=O)c1nscc1S(=O)(=O)[N-]C(c1cccc(C)c1)c1cccc(C)c1 ZINC000443361695 985523066 /nfs/dbraw/zinc/52/30/66/985523066.db2.gz NWENPOXEEBJJHA-UHFFFAOYSA-N -1 3 416.524 3.614 20 0 HHADHM O=S(=O)([N-][C@@H]1COc2c1ccc(Cl)c2Cl)c1ccc(Br)cn1 ZINC000462588204 985534112 /nfs/dbraw/zinc/53/41/12/985534112.db2.gz FBTMFYUDMGOKAM-SNVBAGLBSA-N -1 3 424.103 3.563 20 0 HHADHM C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])c1ccc(Br)s1 ZINC000443397864 985551465 /nfs/dbraw/zinc/55/14/65/985551465.db2.gz GJNTUUBKAZRMHY-DGCLKSJQSA-N -1 3 423.332 3.698 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@](C)(O)Cc3ccccc3)cc2)cc1 ZINC000467925021 985558734 /nfs/dbraw/zinc/55/87/34/985558734.db2.gz UCPUIOGDDIELKI-HSZRJFAPSA-N -1 3 424.522 3.728 20 0 HHADHM COc1ccc(O[C@@H](C)C[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)cc1 ZINC000462618755 985562329 /nfs/dbraw/zinc/56/23/29/985562329.db2.gz PLTSHALKCSVHGM-AWEZNQCLSA-N -1 3 404.513 3.565 20 0 HHADHM COc1ccccc1O[C@@H](C)C[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000462629279 985571728 /nfs/dbraw/zinc/57/17/28/985571728.db2.gz FOZDFVJXDDPKNX-AWEZNQCLSA-N -1 3 404.513 3.565 20 0 HHADHM COc1ccccc1-c1noc([C@H](C)[N-]S(=O)(=O)c2cccc(C(C)C)c2)n1 ZINC000462654616 985594818 /nfs/dbraw/zinc/59/48/18/985594818.db2.gz DHWJBXQKKUYPBL-AWEZNQCLSA-N -1 3 401.488 3.908 20 0 HHADHM COc1ccccc1-c1noc([C@@H](C)[N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)n1 ZINC000462665625 985604788 /nfs/dbraw/zinc/60/47/88/985604788.db2.gz JRXMEQFTFSCVIY-CYBMUJFWSA-N -1 3 405.451 3.541 20 0 HHADHM CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(OC(C)(C)C)cc3)ccc2O1 ZINC000443450625 985618143 /nfs/dbraw/zinc/61/81/43/985618143.db2.gz DCVZFHQIHPTHSI-LJQANCHMSA-N -1 3 419.499 3.531 20 0 HHADHM COc1cccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3ccc4ccccc4c3)n2)c1 ZINC000462686967 985626298 /nfs/dbraw/zinc/62/62/98/985626298.db2.gz UUMPAXLITFLEDG-CQSZACIVSA-N -1 3 409.467 3.938 20 0 HHADHM Cc1cc(Cl)c([N-]S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)cc1Cl ZINC000443468718 985643831 /nfs/dbraw/zinc/64/38/31/985643831.db2.gz WPQCOENWSLAILL-UHFFFAOYSA-N -1 3 402.303 3.667 20 0 HHADHM CCOC(=O)c1ccc(NC(=O)c2cc(COc3ccccc3F)on2)c([O-])c1 ZINC000467996040 985643814 /nfs/dbraw/zinc/64/38/14/985643814.db2.gz TUNNEYXRSVSBCI-UHFFFAOYSA-N -1 3 400.362 3.527 20 0 HHADHM O=S(=O)(NCc1ccc([O-])c(Br)c1)c1cc(Cl)ccc1Cl ZINC000443481599 985656679 /nfs/dbraw/zinc/65/66/79/985656679.db2.gz FOIJYDGKZFQEPL-UHFFFAOYSA-N -1 3 411.104 3.940 20 0 HHADHM CC[C@]1(C)CN(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)ccc2C)CCO1 ZINC000443574184 985748593 /nfs/dbraw/zinc/74/85/93/985748593.db2.gz KYSIAVYQIDEPRI-OAQYLSRUSA-N -1 3 420.506 3.576 20 0 HHADHM Cc1ccc(-c2cnc(CS(=O)(=O)c3nc(CCC4CCCC4)n[n-]3)o2)cc1 ZINC000462960974 985905417 /nfs/dbraw/zinc/90/54/17/985905417.db2.gz YDEWURLKRQRGIH-UHFFFAOYSA-N -1 3 400.504 3.865 20 0 HHADHM Cc1ccc(-c2cnc(CS(=O)(=O)c3nnc(CCC4CCCC4)[n-]3)o2)cc1 ZINC000462960974 985905433 /nfs/dbraw/zinc/90/54/33/985905433.db2.gz YDEWURLKRQRGIH-UHFFFAOYSA-N -1 3 400.504 3.865 20 0 HHADHM Cc1cn2c(n1)[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)CCC2 ZINC000443771118 985979665 /nfs/dbraw/zinc/97/96/65/985979665.db2.gz FTHSGJIZDRCWAB-LLVKDONJSA-N -1 3 407.845 3.720 20 0 HHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCc2c(F)cc(F)cc2[C@@H]1C ZINC000468340806 986036703 /nfs/dbraw/zinc/03/67/03/986036703.db2.gz IORPUTDXTATQBR-ZDUSSCGKSA-N -1 3 410.424 3.519 20 0 HHADHM CCC[C@@H](NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O)c1ccc(F)cc1F ZINC000468359786 986057337 /nfs/dbraw/zinc/05/73/37/986057337.db2.gz FAGYATGNXOVNEW-LJQANCHMSA-N -1 3 412.440 3.619 20 0 HHADHM COC(=O)[C@@](C)([N-]S(=O)(=O)CCc1cccs1)c1ccc(Cl)c(Cl)c1 ZINC000443886168 986087156 /nfs/dbraw/zinc/08/71/56/986087156.db2.gz BUOQPQJICKSIBD-INIZCTEOSA-N -1 3 422.355 3.605 20 0 HHADHM C[C@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)c1nnnn1C1CCCCC1 ZINC000468449436 986144684 /nfs/dbraw/zinc/14/46/84/986144684.db2.gz LILPFFKMSTYXML-ZDUSSCGKSA-N -1 3 422.518 3.866 20 0 HHADHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)c2ccccc2C)c(C)o1 ZINC000443965732 986173067 /nfs/dbraw/zinc/17/30/67/986173067.db2.gz KJILWRNTUFLMNX-ZDUSSCGKSA-N -1 3 405.394 3.655 20 0 HHADHM CCOC(=O)c1n[n-]c(C2CCN(c3cnc4cc(Cl)c(Cl)cc4n3)CC2)n1 ZINC000443969003 986176296 /nfs/dbraw/zinc/17/62/96/986176296.db2.gz FIEPSVMZNQNPPY-UHFFFAOYSA-N -1 3 421.288 3.615 20 0 HHADHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)c2ccccc2C)s1 ZINC000443988465 986190388 /nfs/dbraw/zinc/19/03/88/986190388.db2.gz OMTWLJHIEZIXPZ-HNNXBMFYSA-N -1 3 420.478 3.665 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CN3CCSCC3)c2C)c(C)c1 ZINC000444033113 986228679 /nfs/dbraw/zinc/22/86/79/986228679.db2.gz FFTTYEIYMSSMTF-UHFFFAOYSA-N -1 3 406.573 3.662 20 0 HHADHM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(CN3CCSCC3)c2C)c1 ZINC000444036748 986234567 /nfs/dbraw/zinc/23/45/67/986234567.db2.gz ZHBLOXPDJPJGKT-UHFFFAOYSA-N -1 3 418.584 3.937 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@@H](C)CCc2ccccc2F)cc1OC ZINC000463288148 986254959 /nfs/dbraw/zinc/25/49/59/986254959.db2.gz LWQVQECSRHEXDK-AWEZNQCLSA-N -1 3 408.495 3.803 20 0 HHADHM O=S(=O)([N-]C[C@@H](c1ccccc1)C(F)(F)F)c1cnc(-c2ccccc2)nc1 ZINC000444210805 986393291 /nfs/dbraw/zinc/39/32/91/986393291.db2.gz INPNSDOHGRTMSX-KRWDZBQOSA-N -1 3 407.417 3.768 20 0 HHADHM O=S(=O)([N-]C[C@@]1(O)CCC[C@@H](C(F)(F)F)C1)c1c(Cl)cccc1Cl ZINC000444219222 986402609 /nfs/dbraw/zinc/40/26/09/986402609.db2.gz HPBGWFHZECPKIR-NOZJJQNGSA-N -1 3 406.253 3.755 20 0 HHADHM O=S(=O)([N-]C[C@@]1(O)CCC[C@@H](C(F)(F)F)C1)c1cccc(Cl)c1Cl ZINC000444222961 986408769 /nfs/dbraw/zinc/40/87/69/986408769.db2.gz MPDRXKJRZMLXFW-NOZJJQNGSA-N -1 3 406.253 3.755 20 0 HHADHM C[C@@H]1C(=O)CC[C@@H](C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)C1(C)C ZINC000444234931 986423933 /nfs/dbraw/zinc/42/39/33/986423933.db2.gz WRAUVLUKGQLBHO-CJNGLKHVSA-N -1 3 420.937 3.864 20 0 HHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2cn(C)nc2C2CC2)cc1 ZINC000463464791 986443726 /nfs/dbraw/zinc/44/37/26/986443726.db2.gz PRCWNIWQPILSTP-UHFFFAOYSA-N -1 3 424.526 3.967 20 0 HHADHM CO[C@H](CC[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1)C(F)(F)F ZINC000468779447 986491746 /nfs/dbraw/zinc/49/17/46/986491746.db2.gz BFGBIHALTHXWID-OAHLLOKOSA-N -1 3 415.861 3.765 20 0 HHADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CC=C(c2ccccc2F)C1 ZINC000444344500 986525612 /nfs/dbraw/zinc/52/56/12/986525612.db2.gz PCULRVMYRKPHNY-UHFFFAOYSA-N -1 3 413.246 3.969 20 0 HHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H]3CCN(c4ccccc4Cl)C3)cc2)n1 ZINC000463574234 986551159 /nfs/dbraw/zinc/55/11/59/986551159.db2.gz NAUMTKPUEZZDDI-INIZCTEOSA-N -1 3 408.889 3.864 20 0 HHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H]3CCN(c4ccccc4Cl)C3)cc2)n1 ZINC000463574235 986551461 /nfs/dbraw/zinc/55/14/61/986551461.db2.gz NAUMTKPUEZZDDI-MRXNPFEDSA-N -1 3 408.889 3.864 20 0 HHADHM C[C@@H](CN(C)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)Oc1ccc(Cl)c(Cl)c1 ZINC000468881403 986588074 /nfs/dbraw/zinc/58/80/74/986588074.db2.gz IBLORRMLGFNBEM-JTQLQIEISA-N -1 3 422.268 3.808 20 0 HHADHM Cc1n[nH]cc1-c1nnc([N-]C(=O)c2cc3cc(Br)ccc3o2)s1 ZINC000444471605 986654850 /nfs/dbraw/zinc/65/48/50/986654850.db2.gz FNJNNOANFZWONC-UHFFFAOYSA-N -1 3 404.249 3.998 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CC[C@H](C(F)(F)F)C2(C)C)cc1OC ZINC000468958500 986662436 /nfs/dbraw/zinc/66/24/36/986662436.db2.gz NYRNURPZLAEINU-AWEZNQCLSA-N -1 3 423.457 3.652 20 0 HHADHM Cc1ccc(CS(=O)(=O)[N-][C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)cc1F ZINC000469001389 986706781 /nfs/dbraw/zinc/70/67/81/986706781.db2.gz QRZGQDTYYLMAKE-ZDUSSCGKSA-N -1 3 407.442 3.812 20 0 HHADHM CCO[C@@H]1C[C@](NC(=O)c2cc(Oc3ccccc3)ccc2[O-])(C(=O)OC)C1(C)C ZINC000444563065 986757666 /nfs/dbraw/zinc/75/76/66/986757666.db2.gz OYTOMFGGBBNILM-XXBNENTESA-N -1 3 413.470 3.661 20 0 HHADHM CN1CCO[C@@H]([C@@H](NC(=O)CCCc2ccc([O-])c(F)c2)c2ccc(Cl)cc2)C1 ZINC000469047317 986757756 /nfs/dbraw/zinc/75/77/56/986757756.db2.gz SOBFSIULBLOCIR-IRLDBZIGSA-N -1 3 420.912 3.696 20 0 HHADHM COc1cc(C)c(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)cc1C ZINC000444605987 986793325 /nfs/dbraw/zinc/79/33/25/986793325.db2.gz CAGYSYLYAURNBE-UHFFFAOYSA-N -1 3 417.462 3.832 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000469100055 986816165 /nfs/dbraw/zinc/81/61/65/986816165.db2.gz WWMXKEHNQGBEBS-UHFFFAOYSA-N -1 3 410.489 3.682 20 0 HHADHM CCOC(=O)c1nc(C2CCN(C(=O)C[C@@H](C)Cc3ccc(Cl)cc3)CC2)n[n-]1 ZINC000444761111 986921855 /nfs/dbraw/zinc/92/18/55/986921855.db2.gz MBVHIPJORVAJNS-AWEZNQCLSA-N -1 3 418.925 3.610 20 0 HHADHM CCOC(=O)c1nnc(C2CCN(C(=O)C[C@@H](C)Cc3ccc(Cl)cc3)CC2)[n-]1 ZINC000444761111 986921868 /nfs/dbraw/zinc/92/18/68/986921868.db2.gz MBVHIPJORVAJNS-AWEZNQCLSA-N -1 3 418.925 3.610 20 0 HHADHM CCOC(=O)c1nc(C2CCN(C(=O)c3sccc3-c3ccccc3)CC2)n[n-]1 ZINC000444761158 986922336 /nfs/dbraw/zinc/92/23/36/986922336.db2.gz NCOVIRBCAXFZRT-UHFFFAOYSA-N -1 3 410.499 3.730 20 0 HHADHM CCOC(=O)c1nnc(C2CCN(C(=O)c3sccc3-c3ccccc3)CC2)[n-]1 ZINC000444761158 986922347 /nfs/dbraw/zinc/92/23/47/986922347.db2.gz NCOVIRBCAXFZRT-UHFFFAOYSA-N -1 3 410.499 3.730 20 0 HHADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC)c1nc(C)cs1 ZINC000469205706 986928955 /nfs/dbraw/zinc/92/89/55/986928955.db2.gz BZBQALAEHDQAHX-GXTWGEPZSA-N -1 3 418.968 3.948 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)NC[C@H](C[C@@H](C)O)c3ccccc3)cc2)cc(=O)[n-]1 ZINC000469232411 986952934 /nfs/dbraw/zinc/95/29/34/986952934.db2.gz RBFINLAJKJBRNU-BEFAXECRSA-N -1 3 406.486 3.834 20 0 HHADHM CC(C)CO[C@H]1CCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)C1 ZINC000469241386 986961677 /nfs/dbraw/zinc/96/16/77/986961677.db2.gz KMECYOIYUWTHNU-KRWDZBQOSA-N -1 3 420.506 3.514 20 0 HHADHM CCOC(=O)c1nc(C2CCN(C(=O)N[C@H](CCC(C)C)C(C)(C)C)CC2)n[n-]1 ZINC000444960491 987095690 /nfs/dbraw/zinc/09/56/90/987095690.db2.gz WSCYRLOOZWWYHV-MRXNPFEDSA-N -1 3 407.559 3.721 20 0 HHADHM CCOC(=O)c1nnc(C2CCN(C(=O)N[C@H](CCC(C)C)C(C)(C)C)CC2)[n-]1 ZINC000444960491 987095696 /nfs/dbraw/zinc/09/56/96/987095696.db2.gz WSCYRLOOZWWYHV-MRXNPFEDSA-N -1 3 407.559 3.721 20 0 HHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)c2ccccc2C)cc1F ZINC000444973602 987102473 /nfs/dbraw/zinc/10/24/73/987102473.db2.gz JAALMSKRPFQCCV-INIZCTEOSA-N -1 3 419.396 3.893 20 0 HHADHM CCc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3cnc4ccccc4c3)n2)cc1 ZINC000445036767 987167006 /nfs/dbraw/zinc/16/70/06/987167006.db2.gz DESCHTZHHJSFEB-AWEZNQCLSA-N -1 3 408.483 3.887 20 0 HHADHM Cc1cc(-c2noc([C@H](C)[N-]S(=O)(=O)c3cnc4ccccc4c3)n2)ccc1F ZINC000445042324 987171431 /nfs/dbraw/zinc/17/14/31/987171431.db2.gz QQXKBVSPPIYPHC-ZDUSSCGKSA-N -1 3 412.446 3.772 20 0 HHADHM CO[C@H](CNC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O)C(C)(C)C ZINC000469722515 987374732 /nfs/dbraw/zinc/37/47/32/987374732.db2.gz BTTHBQLARUWCNO-CYBMUJFWSA-N -1 3 415.715 3.735 20 0 HHADHM CCn1c(=O)c2cc(Br)ccc2nc1S[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000469808185 987448425 /nfs/dbraw/zinc/44/84/25/987448425.db2.gz IPGCMATYWPGQOI-JTQLQIEISA-N -1 3 421.320 3.836 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H](CCO)c1ccccc1Br ZINC000469820619 987458350 /nfs/dbraw/zinc/45/83/50/987458350.db2.gz KZDGPDMNHGTIEF-KRWDZBQOSA-N -1 3 410.283 3.856 20 0 HHADHM CCCCS(=O)(=O)[N-]Cc1nc(C2(c3cccc(C(F)(F)F)c3)CCC2)no1 ZINC000445526558 987581221 /nfs/dbraw/zinc/58/12/21/987581221.db2.gz ZMEXRIIIJBPDNV-UHFFFAOYSA-N -1 3 417.453 3.778 20 0 HHADHM O=S(=O)([N-]c1ccccc1F)c1ccc(-c2nc(-c3cncs3)no2)cc1 ZINC000445579791 987646126 /nfs/dbraw/zinc/64/61/26/987646126.db2.gz QKCSQNXEMVTUHG-UHFFFAOYSA-N -1 3 402.432 3.800 20 0 HHADHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(C)C ZINC000445696695 987762976 /nfs/dbraw/zinc/76/29/76/987762976.db2.gz JMLPDRUCDGSUFT-JTQLQIEISA-N -1 3 404.248 3.713 20 0 HHADHM CC(C)(C)N1CC[C@H]([N-]S(=O)(=O)c2ccco2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000445717370 987781845 /nfs/dbraw/zinc/78/18/45/987781845.db2.gz CUIANVMFJUXRQS-RDJZCZTQSA-N -1 3 400.903 3.965 20 0 HHADHM C[N-]S(=O)(=O)c1cc(-c2nc(-c3cc4cc(Cl)cc(C)c4o3)no2)c(C)o1 ZINC000445722162 987787175 /nfs/dbraw/zinc/78/71/75/987787175.db2.gz HYLLTQNDHHTJIF-UHFFFAOYSA-N -1 3 407.835 3.921 20 0 HHADHM CCSCCCc1noc(CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)n1 ZINC000445769311 987832413 /nfs/dbraw/zinc/83/24/13/987832413.db2.gz YRWZXGWVSXDHJA-UHFFFAOYSA-N -1 3 424.375 3.583 20 0 HHADHM O=C(NCc1ncccc1[O-])Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1 ZINC000470115014 988017065 /nfs/dbraw/zinc/01/70/65/988017065.db2.gz WPQBCUTYAOOUDS-UHFFFAOYSA-N -1 3 406.229 3.998 20 0 HHADHM Cc1nc(C)c(CC(=O)NCC2(c3cc(C(F)(F)F)ccc3Cl)CC2)c(=O)[n-]1 ZINC000470332130 988296426 /nfs/dbraw/zinc/29/64/26/988296426.db2.gz HIVJVADDDRHWRH-UHFFFAOYSA-N -1 3 413.827 3.862 20 0 HHADHM Cc1nc(C)c(CCC(=O)N2CCc3c(Br)ccc(Cl)c3C2)c(=O)[n-]1 ZINC000464179014 988300411 /nfs/dbraw/zinc/30/04/11/988300411.db2.gz YFGHVHWZWBDNKO-UHFFFAOYSA-N -1 3 424.726 3.732 20 0 HHADHM Cc1ccc(C[N-]S(=O)(=O)c2c(F)cccc2Cl)c(OC[C@H]2CCOC2)c1 ZINC000464214003 988330827 /nfs/dbraw/zinc/33/08/27/988330827.db2.gz YHLSLKOSUHVALW-AWEZNQCLSA-N -1 3 413.898 3.681 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)Nc3ccccc3O[C@H]3CCOC3)cc2)cc(=O)[n-]1 ZINC000470530297 988533032 /nfs/dbraw/zinc/53/30/32/988533032.db2.gz BSSICXHMQLMCRP-KRWDZBQOSA-N -1 3 406.442 3.969 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCn2c(cc3ccccc32)C1 ZINC000464371880 988534842 /nfs/dbraw/zinc/53/48/42/988534842.db2.gz AAZNZGFHWHGEHI-UHFFFAOYSA-N -1 3 400.276 3.835 20 0 HHADHM CC[C@H](NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1)C(F)(F)F ZINC000470560955 988577841 /nfs/dbraw/zinc/57/78/41/988577841.db2.gz NZGDSRPOONZYEY-AWEZNQCLSA-N -1 3 407.820 3.747 20 0 HHADHM CS(=O)(=O)c1ccc(Cl)c([N-]C(=O)c2cc(COc3ccccc3F)on2)c1 ZINC000464552999 988730601 /nfs/dbraw/zinc/73/06/01/988730601.db2.gz IRUBWJWUJIULAI-UHFFFAOYSA-N -1 3 424.837 3.702 20 0 HHADHM COc1cc(Br)ccc1[C@@H](C)NC(=O)c1c[n-]c2ccccc2c1=O ZINC000470832715 988906536 /nfs/dbraw/zinc/90/65/36/988906536.db2.gz ARQLCDXDLXFUKQ-LLVKDONJSA-N -1 3 401.260 3.790 20 0 HHADHM COC(=O)c1sc2[n-]c(CN3C[C@H](C)C[C@@H]3c3ccccc3F)nc(=O)c2c1C ZINC000464727622 988946587 /nfs/dbraw/zinc/94/65/87/988946587.db2.gz WEKARYIZNVLMGH-IAQYHMDHSA-N -1 3 415.490 3.802 20 0 HHADHM CC[C@@H]1CN([C@H]2CC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)CC[C@H]1c1ccccc1 ZINC000470897640 988971326 /nfs/dbraw/zinc/97/13/26/988971326.db2.gz OOFUVBWUSMIHGA-HBGVWJBISA-N -1 3 406.482 3.532 20 0 HHADHM COC(=O)c1sc2[n-]c(CN3CC[C@H](C)C[C@H]3c3ccc(C)o3)nc(=O)c2c1C ZINC000464835426 989077881 /nfs/dbraw/zinc/07/78/81/989077881.db2.gz INTDSNCYOYLLDT-FZMZJTMJSA-N -1 3 415.515 3.954 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)NC[C@H]1CCCS1 ZINC000465000700 989310715 /nfs/dbraw/zinc/31/07/15/989310715.db2.gz DDAWKMJHPPZWBZ-CQSZACIVSA-N -1 3 408.520 3.560 20 0 HHADHM Cc1ccccc1-c1noc([C@@H](C)S(=O)(=O)c2nc(CCC3CCCC3)n[n-]2)n1 ZINC000465032587 989355629 /nfs/dbraw/zinc/35/56/29/989355629.db2.gz WHDNFOOWTKHLFP-CQSZACIVSA-N -1 3 415.519 3.821 20 0 HHADHM Cc1ccccc1-c1noc([C@@H](C)S(=O)(=O)c2nnc(CCC3CCCC3)[n-]2)n1 ZINC000465032587 989355640 /nfs/dbraw/zinc/35/56/40/989355640.db2.gz WHDNFOOWTKHLFP-CQSZACIVSA-N -1 3 415.519 3.821 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)CCc2c[nH]c3cc(C)ccc23)cc1OC ZINC000465073465 989393177 /nfs/dbraw/zinc/39/31/77/989393177.db2.gz WBEQLSZUBFCLNG-UHFFFAOYSA-N -1 3 415.515 3.818 20 0 HHADHM O=C(NCc1ncccc1[O-])Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1 ZINC000471249017 989395064 /nfs/dbraw/zinc/39/50/64/989395064.db2.gz HWKFBUSPPOWNBG-UHFFFAOYSA-N -1 3 402.882 3.825 20 0 HHADHM CO[C@@]1(C)C[C@@H](NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)C1(C)C ZINC000465270975 989628087 /nfs/dbraw/zinc/62/80/87/989628087.db2.gz UUHYMBFZWNPWIB-NQIIRXRSSA-N -1 3 420.506 3.560 20 0 HHADHM CC(C)CCOc1ccc(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000465340963 989691968 /nfs/dbraw/zinc/69/19/68/989691968.db2.gz IQKNDYMDYJDIAJ-UHFFFAOYSA-N -1 3 416.952 3.743 20 0 HHADHM CCOC(=O)c1sc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)nc1C ZINC000465466305 989810352 /nfs/dbraw/zinc/81/03/52/989810352.db2.gz CCIWEKWRAAZHFW-SECBINFHSA-N -1 3 423.343 3.975 20 0 HHADHM COC(=O)C[C@@H](NC(=O)c1cc([O-])c2ccccc2c1)c1ccc(OC)c(OC)c1 ZINC000471628652 989835855 /nfs/dbraw/zinc/83/58/55/989835855.db2.gz NHABOUYBYSMWKP-GOSISDBHSA-N -1 3 409.438 3.597 20 0 HHADHM CCc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3cccc4cnccc43)n2)cc1 ZINC000471869187 990041403 /nfs/dbraw/zinc/04/14/03/990041403.db2.gz JCSRHQQKCXSNDM-CQSZACIVSA-N -1 3 408.483 3.887 20 0 HHADHM CCN(CC)Cc1nc(C2(NC(=O)c3cc([O-])c4ccccc4c3)CCCC2)no1 ZINC000471870976 990043035 /nfs/dbraw/zinc/04/30/35/990043035.db2.gz MSRKUYAAIJNLKI-UHFFFAOYSA-N -1 3 408.502 3.970 20 0 HHADHM Cc1cc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3ccc4c(c3)C[C@@H](C)O4)n2)ccc1F ZINC000471875180 990047310 /nfs/dbraw/zinc/04/73/10/990047310.db2.gz WHAZJZIHWRUBJG-CHWSQXEVSA-N -1 3 417.462 3.547 20 0 HHADHM Cc1cc(-c2noc([C@H](C)[N-]S(=O)(=O)c3cccc4cnccc43)n2)ccc1F ZINC000471884486 990057910 /nfs/dbraw/zinc/05/79/10/990057910.db2.gz LXNDBWJXASRERE-ZDUSSCGKSA-N -1 3 412.446 3.772 20 0 HHADHM C[C@H]([N-]S(=O)(=O)c1ccccc1)c1nc(-c2ccc(Br)cc2)no1 ZINC000471893208 990065991 /nfs/dbraw/zinc/06/59/91/990065991.db2.gz PMIJKKGRFRZMCT-NSHDSACASA-N -1 3 408.277 3.539 20 0 HHADHM CN1CC[C@@H](NC(=O)N=c2nc(-c3ccccc3Cl)[n-]s2)[C@@H]1c1ccccc1 ZINC000471942122 990106172 /nfs/dbraw/zinc/10/61/72/990106172.db2.gz IPVWGJVKTBZWBY-SJORKVTESA-N -1 3 413.934 3.847 20 0 HHADHM COCCC[C@H](Cc1ccccc1)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000472039055 990210405 /nfs/dbraw/zinc/21/04/05/990210405.db2.gz UOXRNFUNVRVHFJ-QGZVFWFLSA-N -1 3 421.335 3.992 20 0 HHADHM COC(=O)[C@@H](c1ccccc1C)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000466214187 991423753 /nfs/dbraw/zinc/42/37/53/991423753.db2.gz AVXJDGLUCVRINW-HXUWFJFHSA-N -1 3 416.905 3.919 20 0 HHADHM COC(=O)COc1ccc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1 ZINC000466546494 991854926 /nfs/dbraw/zinc/85/49/26/991854926.db2.gz UMXUPRXQYJICAB-SECBINFHSA-N -1 3 424.327 3.646 20 0 HHADHM CC[C@@H](Cc1ccccc1Br)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000467296209 992622040 /nfs/dbraw/zinc/62/20/40/992622040.db2.gz AEVXUYRXLSDYFY-LBPRGKRZSA-N -1 3 400.280 3.837 20 0 HHADHM CC[C@@H](Cc1ccccc1Br)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000467296209 992622044 /nfs/dbraw/zinc/62/20/44/992622044.db2.gz AEVXUYRXLSDYFY-LBPRGKRZSA-N -1 3 400.280 3.837 20 0 HHADHM O=S(=O)([N-][C@H]1CCCC[C@H]1n1cccn1)c1cc(Br)ccc1Cl ZINC000467782364 993020788 /nfs/dbraw/zinc/02/07/88/993020788.db2.gz CUWHJYQDCMWFGK-UONOGXRCSA-N -1 3 418.744 3.761 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)N(CC=C(C)C)Cc2ccc(Cl)cc2)c(C)o1 ZINC000467809625 993043480 /nfs/dbraw/zinc/04/34/80/993043480.db2.gz YKYFNATZBLBDRW-UHFFFAOYSA-N -1 3 410.923 3.758 20 0 HHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CCCC(=O)N1CCc2ccccc21 ZINC000472094705 993144774 /nfs/dbraw/zinc/14/47/74/993144774.db2.gz ONQLLUWLEVWPSD-UHFFFAOYSA-N -1 3 416.474 3.528 20 0 HHADHM COc1ccc2ccccc2c1-c1cc(CNC(=O)NCc2ncccc2[O-])on1 ZINC000472110224 993161502 /nfs/dbraw/zinc/16/15/02/993161502.db2.gz IPLBAUFTPGZHAQ-UHFFFAOYSA-N -1 3 404.426 3.603 20 0 HHADHM CCC(O)(CC)CC[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000472210582 993243181 /nfs/dbraw/zinc/24/31/81/993243181.db2.gz XCIUMUYLIWIUSN-UHFFFAOYSA-N -1 3 418.275 3.687 20 0 HHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]Cc2ncoc2-c2ccccc2)cc1Cl ZINC000472316642 993327542 /nfs/dbraw/zinc/32/75/42/993327542.db2.gz WUVUWZRRJVABKL-UHFFFAOYSA-N -1 3 423.853 3.571 20 0 HHADHM COC(=O)c1sc2[n-]c(CN3CC[C@@H](Cc4ccccc4)[C@H]3C)nc(=O)c2c1C ZINC000472346364 993350388 /nfs/dbraw/zinc/35/03/88/993350388.db2.gz GMKSYMLRIZFLKL-ZBFHGGJFSA-N -1 3 411.527 3.533 20 0 HHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](CO)Cc2ccc(F)c(F)c2)c1Cl ZINC000480768362 993633851 /nfs/dbraw/zinc/63/38/51/993633851.db2.gz GFQHWLRYMIIVGE-LBPRGKRZSA-N -1 3 424.296 3.710 20 0 HHADHM Cc1ccc(CS(=O)(=O)[N-][C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)c(F)c1 ZINC000480821780 993697315 /nfs/dbraw/zinc/69/73/15/993697315.db2.gz WRQITAGYDSVFJO-ZDUSSCGKSA-N -1 3 407.442 3.812 20 0 HHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCc3cn(C(C)C)nc3C2)c1Cl ZINC000480838558 993713090 /nfs/dbraw/zinc/71/30/90/993713090.db2.gz MXUSPPKCANMSPE-ZDUSSCGKSA-N -1 3 402.347 3.915 20 0 HHADHM C[C@@H]([N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)Nc1ccccc1 ZINC000480891628 993750742 /nfs/dbraw/zinc/75/07/42/993750742.db2.gz IVAPUEZJNSABFZ-GFCCVEGCSA-N -1 3 421.931 3.769 20 0 HHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)Nc1ccccc1 ZINC000480921371 993774536 /nfs/dbraw/zinc/77/45/36/993774536.db2.gz OFASOJHELJZSPY-SNVBAGLBSA-N -1 3 406.813 3.664 20 0 HHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H](C)C(=O)N1Cc2ccccc2C1 ZINC000480974853 993816045 /nfs/dbraw/zinc/81/60/45/993816045.db2.gz AQUBUZASMJAJME-ZDUSSCGKSA-N -1 3 418.902 3.604 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)N[C@@H]3CCc4cn(C(C)C)nc4C3)cc2)cc(=O)[n-]1 ZINC000481157920 993991202 /nfs/dbraw/zinc/99/12/02/993991202.db2.gz WODNOOVQKUKGBY-GOSISDBHSA-N -1 3 406.490 3.614 20 0 HHADHM COCCC1([N-]S(=O)(=O)c2ccc(Br)cc2C(F)(F)F)CCC1 ZINC000481218765 994051601 /nfs/dbraw/zinc/05/16/01/994051601.db2.gz OYHWLPQPIMYKOH-UHFFFAOYSA-N -1 3 416.259 3.705 20 0 HHADHM C[C@@H]1CN(Cc2csc([N-]C(=O)c3c(F)c(F)cc(F)c3F)n2)C[C@@H](C)O1 ZINC000481308219 994125711 /nfs/dbraw/zinc/12/57/11/994125711.db2.gz FWSGILFIXBIAJK-RKDXNWHRSA-N -1 3 403.401 3.561 20 0 HHADHM CO[C@]1(C)CCCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)ccc2C)C1 ZINC000473355544 994217615 /nfs/dbraw/zinc/21/76/15/994217615.db2.gz MTGCOQWBFFSKQZ-JOCHJYFZSA-N -1 3 416.543 3.745 20 0 HHADHM C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC000473386978 994242771 /nfs/dbraw/zinc/24/27/71/994242771.db2.gz IPIHSLBAHYKSAK-GZMMTYOYSA-N -1 3 408.298 3.840 20 0 HHADHM COC(=O)[C@@H](C)[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1ccccc1 ZINC000481448696 994285134 /nfs/dbraw/zinc/28/51/34/994285134.db2.gz VIEKTWGSZUCPGN-NHYWBVRUSA-N -1 3 402.299 3.822 20 0 HHADHM Cc1cccc(F)c1S(=O)(=O)[N-][C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000481491941 994325569 /nfs/dbraw/zinc/32/55/69/994325569.db2.gz JSRANBLUMYWTKX-AWEZNQCLSA-N -1 3 411.804 3.818 20 0 HHADHM O=C(NCc1ncccc1[O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cccc(Cl)c1 ZINC000473634835 994515176 /nfs/dbraw/zinc/51/51/76/994515176.db2.gz ZOTGTSCZUPWTAE-KYNGSXCRSA-N -1 3 413.905 3.530 20 0 HHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)c1ccnn1C1CCCC1 ZINC000481804209 994651557 /nfs/dbraw/zinc/65/15/57/994651557.db2.gz XUEXUHKGZSAORY-UHFFFAOYSA-N -1 3 416.425 3.641 20 0 HHADHM O=C(Nc1cnn(-c2ccc(Cl)cc2Cl)c1)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000473771718 994691706 /nfs/dbraw/zinc/69/17/06/994691706.db2.gz QQVFZTIQZOKIJV-UHFFFAOYSA-N -1 3 416.224 3.707 20 0 HHADHM CCc1cc(C)cc(CC)c1[N-]S(=O)(=O)c1ccc(OCCC(=O)OC)cc1 ZINC000481863867 994724357 /nfs/dbraw/zinc/72/43/57/994724357.db2.gz GVCXRPORULISJT-UHFFFAOYSA-N -1 3 405.516 3.863 20 0 HHADHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2ccc(CN(C)C)c(Cl)c2)c1 ZINC000481866698 994727075 /nfs/dbraw/zinc/72/70/75/994727075.db2.gz SQMFIAHTWXCZEY-UHFFFAOYSA-N -1 3 414.886 3.518 20 0 HHADHM CN(C)Cc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1Cl ZINC000481870809 994733686 /nfs/dbraw/zinc/73/36/86/994733686.db2.gz QHNSIBXXZYWKCW-UHFFFAOYSA-N -1 3 403.729 3.965 20 0 HHADHM CCc1c(NC(=O)Cc2c(C)nc(C)[n-]c2=O)cnn1-c1ccc(C(F)(F)F)cc1 ZINC000481873951 994739008 /nfs/dbraw/zinc/73/90/08/994739008.db2.gz ZEZULCJKWOTPSM-UHFFFAOYSA-N -1 3 419.407 3.747 20 0 HHADHM CCC(=O)NCc1cc(S(=O)(=O)[N-]c2c(CC)cc(C)cc2CC)ccc1OC ZINC000481874424 994739410 /nfs/dbraw/zinc/73/94/10/994739410.db2.gz YXGWZYDQATTXAO-UHFFFAOYSA-N -1 3 418.559 3.955 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3C(N)=O)cc2)c(C)c1 ZINC000481963646 994851376 /nfs/dbraw/zinc/85/13/76/994851376.db2.gz KQPSVDQREOKRHB-UHFFFAOYSA-N -1 3 412.467 3.696 20 0 HHADHM Cc1ccc(OCc2ccc(C(=O)Nc3ccc(Cc4nnn[n-]4)cc3)o2)c(C)c1 ZINC000473906841 994869188 /nfs/dbraw/zinc/86/91/88/994869188.db2.gz VUHGQMXGHLHIBT-UHFFFAOYSA-N -1 3 403.442 3.832 20 0 HHADHM Cc1ccc(OCc2ccc(C(=O)Nc3ccc(Cc4nn[n-]n4)cc3)o2)c(C)c1 ZINC000473906841 994869202 /nfs/dbraw/zinc/86/92/02/994869202.db2.gz VUHGQMXGHLHIBT-UHFFFAOYSA-N -1 3 403.442 3.832 20 0 HHADHM COc1cc(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)cc(Cl)c1OCC(C)C ZINC000473929265 994900595 /nfs/dbraw/zinc/90/05/95/994900595.db2.gz TUKGDYZALOFKDI-UHFFFAOYSA-N -1 3 415.881 3.740 20 0 HHADHM COc1cc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)cc(Cl)c1OCC(C)C ZINC000473929265 994900607 /nfs/dbraw/zinc/90/06/07/994900607.db2.gz TUKGDYZALOFKDI-UHFFFAOYSA-N -1 3 415.881 3.740 20 0 HHADHM CSc1cccc(C)c1NC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000473971304 994954662 /nfs/dbraw/zinc/95/46/62/994954662.db2.gz QEMSSPNAIDBVNL-UHFFFAOYSA-N -1 3 419.981 3.532 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)Nc1nc(-c2ccccc2F)co1 ZINC000482120696 995068460 /nfs/dbraw/zinc/06/84/60/995068460.db2.gz AXFHJTTUARGMDT-UHFFFAOYSA-N -1 3 419.416 3.506 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@@H](C)c2cc3ccccc3o2)cc1OC ZINC000482122331 995071172 /nfs/dbraw/zinc/07/11/72/995071172.db2.gz PLWWOMNRBGVHEY-ZDUSSCGKSA-N -1 3 402.472 3.945 20 0 HHADHM COC[C@@H]([N-]S(=O)(=O)c1cc(C)c(Br)cc1C)c1ccc(C)o1 ZINC000474172822 995161529 /nfs/dbraw/zinc/16/15/29/995161529.db2.gz SRINAOWYGQMYFM-CQSZACIVSA-N -1 3 402.310 3.633 20 0 HHADHM CCO[C@@H](CC[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F)C1CCCC1 ZINC000474200078 995195045 /nfs/dbraw/zinc/19/50/45/995195045.db2.gz VGTQIOKFAFXHFH-KRWDZBQOSA-N -1 3 420.934 3.701 20 0 HHADHM COc1cc(Cl)c(C)cc1NC(=O)CC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000474212072 995207237 /nfs/dbraw/zinc/20/72/37/995207237.db2.gz OIZCLPDOMMBSEO-UHFFFAOYSA-N -1 3 423.343 3.679 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000482231249 995214164 /nfs/dbraw/zinc/21/41/64/995214164.db2.gz VLVFKGLVLDLXGS-WDEREUQCSA-N -1 3 407.421 3.799 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1Cl ZINC000482241074 995223077 /nfs/dbraw/zinc/22/30/77/995223077.db2.gz HSSJPUJRJMTBPH-MFKMUULPSA-N -1 3 423.222 3.914 20 0 HHADHM CC(C)(C)OC(=O)[C@H]1CCCN1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000474233574 995230532 /nfs/dbraw/zinc/23/05/32/995230532.db2.gz OKEJHKMSDLZDLH-CYBMUJFWSA-N -1 3 401.488 3.963 20 0 HHADHM O=C(N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1)c1cc(=O)c2ccccc2[n-]1 ZINC000482265304 995243396 /nfs/dbraw/zinc/24/33/96/995243396.db2.gz WCFYKSLOVBPOMW-CYBMUJFWSA-N -1 3 401.388 3.556 20 0 HHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCCc1ccc(F)c(Br)c1 ZINC000474293216 995284540 /nfs/dbraw/zinc/28/45/40/995284540.db2.gz LJQJYQZKUBFIDX-UHFFFAOYSA-N -1 3 410.287 3.662 20 0 HHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H]2COc3ccc(Cl)cc32)cc1Cl ZINC000474294183 995285657 /nfs/dbraw/zinc/28/56/57/995285657.db2.gz NOJIWRQNXAGISV-AWEZNQCLSA-N -1 3 419.261 3.503 20 0 HHADHM COc1ccc(CCCNC(=O)NCc2ccc([O-])c(Br)c2)cc1OC ZINC000482308085 995286448 /nfs/dbraw/zinc/28/64/48/995286448.db2.gz GMMWDHQEPAHALE-UHFFFAOYSA-N -1 3 423.307 3.604 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2COc3ccc(Cl)cc32)s1 ZINC000474303686 995292120 /nfs/dbraw/zinc/29/21/20/995292120.db2.gz QDMQVJPJUYTDRS-LLVKDONJSA-N -1 3 408.726 3.884 20 0 HHADHM COc1c2ccccc2oc1C[N-]S(=O)(=O)c1cccc(C)c1Br ZINC000474380908 995358110 /nfs/dbraw/zinc/35/81/10/995358110.db2.gz ZHAIWZADHKCHJI-UHFFFAOYSA-N -1 3 410.289 3.991 20 0 HHADHM CCCN(CCC)C(=O)c1ccc(NC(=O)c2c(C)[n-]c(=O)nc2SC)cc1 ZINC000474547557 995514252 /nfs/dbraw/zinc/51/42/52/995514252.db2.gz MHNRDORGRJJVKM-UHFFFAOYSA-N -1 3 402.520 3.727 20 0 HHADHM CO[C@H](CNC(=O)NCc1ccc([O-])c(Br)c1)c1ccc(Cl)cc1 ZINC000482590605 995592647 /nfs/dbraw/zinc/59/26/47/995592647.db2.gz IMBWJKDAMRCGTD-MRXNPFEDSA-N -1 3 413.699 3.995 20 0 HHADHM O=C(NCCc1nc(C(F)(F)F)cs1)NCc1ccc([O-])c(Br)c1 ZINC000482593010 995594892 /nfs/dbraw/zinc/59/48/92/995594892.db2.gz MWJRHPJDYHFLKD-UHFFFAOYSA-N -1 3 424.242 3.672 20 0 HHADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)c1cc(C2CC2)nc2ccc(C)cc21 ZINC000474772328 995701108 /nfs/dbraw/zinc/70/11/08/995701108.db2.gz FRZOFIHSEBLTMB-UHFFFAOYSA-N -1 3 407.426 3.574 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)NCCCOc1ccc(C(F)(F)F)cn1 ZINC000482755935 995727676 /nfs/dbraw/zinc/72/76/76/995727676.db2.gz DCCQMNRMBLOYKG-UHFFFAOYSA-N -1 3 400.372 3.853 20 0 HHADHM Cc1nc(-c2ccc([C@@H](C)NC(=O)NCc3nc(C(F)(F)F)n[n-]3)cc2)cs1 ZINC000482853028 995792871 /nfs/dbraw/zinc/79/28/71/995792871.db2.gz FMGIBXXGCQGKFC-SECBINFHSA-N -1 3 410.425 3.816 20 0 HHADHM C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)c2c[n-]c3ccc(I)cc3c2=O)C1 ZINC000474971852 995836497 /nfs/dbraw/zinc/83/64/97/995836497.db2.gz XPJKWUFKNHGGRX-GRYCIOLGSA-N -1 3 424.282 3.639 20 0 HHADHM C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)c2c[n-]c3ccc(I)cc3c2=O)C1 ZINC000474971855 995836511 /nfs/dbraw/zinc/83/65/11/995836511.db2.gz XPJKWUFKNHGGRX-WOPDTQHZSA-N -1 3 424.282 3.639 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N[C@@H]1CCOc2c(-c3ccccc3)cccc21 ZINC000482926650 995855213 /nfs/dbraw/zinc/85/52/13/995855213.db2.gz JVCCYTGLTYGBBQ-OAHLLOKOSA-N -1 3 417.391 3.814 20 0 HHADHM O=C(Nc1n[n-]c(SCCO)n1)c1cccc(Oc2cccc(C(F)(F)F)c2)c1 ZINC000475440871 996140803 /nfs/dbraw/zinc/14/08/03/996140803.db2.gz NMNILAMEPUTFFT-UHFFFAOYSA-N -1 3 424.404 3.953 20 0 HHADHM O=C(Nc1ccc(-c2nc3cc(F)c(F)cc3[nH]2)cc1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000475520643 996197879 /nfs/dbraw/zinc/19/78/79/996197879.db2.gz SCSKHVRKMRKNEN-UHFFFAOYSA-N -1 3 418.359 3.644 20 0 HHADHM C[C@H](CNC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1)C(F)(F)F ZINC000483634100 996298873 /nfs/dbraw/zinc/29/88/73/996298873.db2.gz HPNNSNZHJPHUCT-SNVBAGLBSA-N -1 3 407.820 3.604 20 0 HHADHM O=S(=O)([N-]C1(c2nccs2)CCCC1)c1ccc(Br)cc1F ZINC000475800105 996378811 /nfs/dbraw/zinc/37/88/11/996378811.db2.gz TXZSSAONKGNDAE-UHFFFAOYSA-N -1 3 405.314 3.793 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1ccccc1O[C@H]1CCOC1 ZINC000483776889 996380495 /nfs/dbraw/zinc/38/04/95/996380495.db2.gz RJAHNGKSPFIMNK-ZDUSSCGKSA-N -1 3 407.264 3.644 20 0 HHADHM COc1ccc([C@H]2[C@H](C(=O)Nc3ccc([O-])c(C(F)(F)F)c3)CCC(=O)N2C)cc1 ZINC000476146079 996633186 /nfs/dbraw/zinc/63/31/86/996633186.db2.gz ITORNFJZZBORMG-BEFAXECRSA-N -1 3 422.403 3.968 20 0 HHADHM O=C(COc1ccccc1)N1CCC[C@H](C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)C1 ZINC000476171471 996652948 /nfs/dbraw/zinc/65/29/48/996652948.db2.gz SXCPVRNHHRKTRD-AWEZNQCLSA-N -1 3 422.403 3.667 20 0 HHADHM CCCOC[C@@H](Cc1cccc(Br)c1)[N-]S(=O)(=O)c1ccc(C)o1 ZINC000476205361 996676121 /nfs/dbraw/zinc/67/61/21/996676121.db2.gz ZZLWANHRPWVSJI-MRXNPFEDSA-N -1 3 416.337 3.667 20 0 HHADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1cc(Br)ccc1Br ZINC000476229492 996691644 /nfs/dbraw/zinc/69/16/44/996691644.db2.gz BMSFRTZDMKZMRE-UHFFFAOYSA-N -1 3 412.041 3.842 20 0 HHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1cc(F)c(F)cc1C(=O)c1ccccc1 ZINC000476334586 996762981 /nfs/dbraw/zinc/76/29/81/996762981.db2.gz OKWARTQPOIAZSZ-UHFFFAOYSA-N -1 3 419.391 3.552 20 0 HHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1cc(F)c(F)cc1C(=O)c1ccccc1 ZINC000476334586 996762985 /nfs/dbraw/zinc/76/29/85/996762985.db2.gz OKWARTQPOIAZSZ-UHFFFAOYSA-N -1 3 419.391 3.552 20 0 HHADHM COc1ccccc1[C@H]([N-]S(=O)(=O)c1ccc2ncsc2c1)c1ccco1 ZINC000476402060 996860413 /nfs/dbraw/zinc/86/04/13/996860413.db2.gz CZEQZNGYSRRIAN-IBGZPJMESA-N -1 3 400.481 3.966 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000484533861 996865877 /nfs/dbraw/zinc/86/58/77/996865877.db2.gz YIRNYGWJTAFTOU-UHFFFAOYSA-N -1 3 418.074 3.716 20 0 HHADHM COC(=O)c1cnc(SCC(=O)N[C@@H](c2cccs2)c2ccc(C)cc2)[n-]1 ZINC000484563133 996896530 /nfs/dbraw/zinc/89/65/30/996896530.db2.gz MHMGMANZEPZAGG-QGZVFWFLSA-N -1 3 401.513 3.564 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3ccc(F)cn3)c2)cc1 ZINC000484681472 997019998 /nfs/dbraw/zinc/01/99/98/997019998.db2.gz NCIWHIOORJSIIZ-UHFFFAOYSA-N -1 3 415.446 3.591 20 0 HHADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@@H](C)c2cc(Cl)ccc2Cl)s1 ZINC000484752852 997095268 /nfs/dbraw/zinc/09/52/68/997095268.db2.gz KECJPFPSWDBAFB-QMMMGPOBSA-N -1 3 424.327 3.890 20 0 HHADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@@H](C)c2cccc3ccccc32)s1 ZINC000484798174 997149731 /nfs/dbraw/zinc/14/97/31/997149731.db2.gz VJWIKCGDPXJJCG-LBPRGKRZSA-N -1 3 405.497 3.736 20 0 HHADHM CC1(C)CN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)[C@@H]1c1ccncc1 ZINC000476630597 997153508 /nfs/dbraw/zinc/15/35/08/997153508.db2.gz SRDSYRABHZKXHB-GOSISDBHSA-N -1 3 412.287 3.909 20 0 HHADHM COC(=O)c1sc2[n-]c(CN[C@@H](C)c3oc4ccccc4c3C)nc(=O)c2c1C ZINC000484995937 997358661 /nfs/dbraw/zinc/35/86/61/997358661.db2.gz JUZCHJAXJYYHNR-LBPRGKRZSA-N -1 3 411.483 3.985 20 0 HHADHM Cc1cccc(NC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)c1Br ZINC000485007117 997371645 /nfs/dbraw/zinc/37/16/45/997371645.db2.gz QYHFEILXFYXQDO-UHFFFAOYSA-N -1 3 413.275 3.805 20 0 HHADHM COc1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)cc(OC)c1[O-] ZINC000476857097 997426619 /nfs/dbraw/zinc/42/66/19/997426619.db2.gz KPZNKCBEMGKKML-ZDUSSCGKSA-N -1 3 411.285 3.725 20 0 HHADHM O=C(CN1c2ccccc2CCCC1=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485122680 997506731 /nfs/dbraw/zinc/50/67/31/997506731.db2.gz KTSCKVVKQTYLDO-UHFFFAOYSA-N -1 3 401.426 3.526 20 0 HHADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000485123968 997508333 /nfs/dbraw/zinc/50/83/33/997508333.db2.gz WACFNJBBJILNKE-QGZVFWFLSA-N -1 3 417.425 3.588 20 0 HHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000485123968 997508345 /nfs/dbraw/zinc/50/83/45/997508345.db2.gz WACFNJBBJILNKE-QGZVFWFLSA-N -1 3 417.425 3.588 20 0 HHADHM CC(C)Cn1ncc2cc(C(=O)Nc3nnc(-c4cc5ccccc5o4)[n-]3)cnc21 ZINC000485144094 997528702 /nfs/dbraw/zinc/52/87/02/997528702.db2.gz SOVCMJBPGPQEGD-UHFFFAOYSA-N -1 3 401.430 3.871 20 0 HHADHM CC(C)Cn1ncc2cc(C(=O)Nc3n[n-]c(-c4cc5ccccc5o4)n3)cnc21 ZINC000485144094 997528708 /nfs/dbraw/zinc/52/87/08/997528708.db2.gz SOVCMJBPGPQEGD-UHFFFAOYSA-N -1 3 401.430 3.871 20 0 HHADHM COc1ccc(F)cc1-c1csc(NC(=O)c2c(C)[n-]c(=O)nc2SC)n1 ZINC000476938282 997553100 /nfs/dbraw/zinc/55/31/00/997553100.db2.gz HHVCQGJAHNRXRZ-UHFFFAOYSA-N -1 3 406.464 3.736 20 0 HHADHM COc1cccc(N2CC[C@H]([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)C2)c1 ZINC000476958610 997574579 /nfs/dbraw/zinc/57/45/79/997574579.db2.gz PKOKMBWXGUBYMN-ZDUSSCGKSA-N -1 3 401.315 3.559 20 0 HHADHM COc1cccc(N2CC[C@H]([N-]S(=O)(=O)c3c(Cl)cccc3Cl)C2)c1 ZINC000476959634 997576279 /nfs/dbraw/zinc/57/62/79/997576279.db2.gz VCRRPFVEXBIOQK-LBPRGKRZSA-N -1 3 401.315 3.559 20 0 HHADHM Cc1c2cc(Br)cc(C)c2oc1C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000476963473 997578956 /nfs/dbraw/zinc/57/89/56/997578956.db2.gz BVLCHTBJGDZGGK-UHFFFAOYSA-N -1 3 402.248 3.506 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1NC(=O)c1ccccn1 ZINC000485253334 997642377 /nfs/dbraw/zinc/64/23/77/997642377.db2.gz DZSZPRFGRBPTGH-UHFFFAOYSA-N -1 3 411.483 3.760 20 0 HHADHM CC(C)(O)COc1ccc([N-]S(=O)(=O)c2ccc(F)c(Br)c2)cc1 ZINC000485289582 997689125 /nfs/dbraw/zinc/68/91/25/997689125.db2.gz IBAAGOFRZPRGDT-UHFFFAOYSA-N -1 3 418.284 3.539 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C)cc1NC(=O)c1ccccn1 ZINC000485431513 997869790 /nfs/dbraw/zinc/86/97/90/997869790.db2.gz XTKXEGYENLRURU-UHFFFAOYSA-N -1 3 415.446 3.591 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)cc1NC(=O)c1ccccn1 ZINC000485469476 997915560 /nfs/dbraw/zinc/91/55/60/997915560.db2.gz MHZHGZKGJXMDMN-UHFFFAOYSA-N -1 3 423.494 3.632 20 0 HHADHM Cc1ccc(NC(=O)CCc2c[nH]cn2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000477292657 997978206 /nfs/dbraw/zinc/97/82/06/997978206.db2.gz OLOQDWQXJZDYHJ-UHFFFAOYSA-N -1 3 418.906 3.744 20 0 HHADHM Cc1ccc(NC(=O)CCc2cnc[nH]2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000477292657 997978218 /nfs/dbraw/zinc/97/82/18/997978218.db2.gz OLOQDWQXJZDYHJ-UHFFFAOYSA-N -1 3 418.906 3.744 20 0 HHADHM O=S(=O)([N-]c1ccc(Cl)cc1Br)c1cccc2c1OCCO2 ZINC000477426009 998116593 /nfs/dbraw/zinc/11/65/93/998116593.db2.gz ULPBHZTUSIZDPB-UHFFFAOYSA-N -1 3 404.669 3.675 20 0 HHADHM CCCc1nc(C)c(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)s1 ZINC000485711857 998179621 /nfs/dbraw/zinc/17/96/21/998179621.db2.gz QXDSPJKXODMOGC-UHFFFAOYSA-N -1 3 422.507 3.924 20 0 HHADHM Cc1ccc(Br)cc1NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000485946533 998390778 /nfs/dbraw/zinc/39/07/78/998390778.db2.gz WMPOJDDBNFMDFR-UHFFFAOYSA-N -1 3 413.275 3.805 20 0 HHADHM C[C@@H](NC(=O)NCc1ccc([O-])c(Br)c1)c1noc(-c2ccccc2)n1 ZINC000486010656 998454783 /nfs/dbraw/zinc/45/47/83/998454783.db2.gz WPOANJCRYYCPMZ-LLVKDONJSA-N -1 3 417.263 3.765 20 0 HHADHM CN1C(=O)C[C@@H](C(=O)NCc2ccc([O-])c(F)c2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000477766668 998514952 /nfs/dbraw/zinc/51/49/52/998514952.db2.gz UBCNPNDGGPMEQB-XIKOKIGWSA-N -1 3 411.260 3.674 20 0 HHADHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1Br ZINC000486129655 998578035 /nfs/dbraw/zinc/57/80/35/998578035.db2.gz OPZDRRJJPLAHJV-UHFFFAOYSA-N -1 3 423.332 3.994 20 0 HHADHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1nc(-c2ccc(Br)s2)no1 ZINC000477836358 998591567 /nfs/dbraw/zinc/59/15/67/998591567.db2.gz VTWYIHOLPSJOHF-AXFHLTTASA-N -1 3 412.309 3.778 20 0 HHADHM CO[C@@]1(C)CCCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)CC1 ZINC000477865635 998615853 /nfs/dbraw/zinc/61/58/53/998615853.db2.gz RSOOJPZQFAQJMI-NRFANRHFSA-N -1 3 420.506 3.658 20 0 HHADHM COc1cccc(CC2(C(=O)NCc3ccc(-c4nnn[n-]4)cc3)CCCCC2)c1 ZINC000486241352 998670292 /nfs/dbraw/zinc/67/02/92/998670292.db2.gz KVYWKKXFRIOTIL-UHFFFAOYSA-N -1 3 405.502 3.685 20 0 HHADHM COc1cccc(CC2(C(=O)NCc3ccc(-c4nn[n-]n4)cc3)CCCCC2)c1 ZINC000486241352 998670296 /nfs/dbraw/zinc/67/02/96/998670296.db2.gz KVYWKKXFRIOTIL-UHFFFAOYSA-N -1 3 405.502 3.685 20 0 HHADHM CCc1nc(C(=O)[N-]c2cc(F)cc(C(=O)OC)c2F)nn1-c1ccccc1Cl ZINC000478086064 998754312 /nfs/dbraw/zinc/75/43/12/998754312.db2.gz OUADDWFBGXVEIH-UHFFFAOYSA-N -1 3 420.803 3.800 20 0 HHADHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000486429249 998763362 /nfs/dbraw/zinc/76/33/62/998763362.db2.gz GCTDOVRBOHUFNI-LBPRGKRZSA-N -1 3 423.384 3.740 20 0 HHADHM COc1cc2c(cc1F)[n-]cc(C(=O)Nc1cc(-c3ccccc3C)nn1C)c2=O ZINC000486502284 998796584 /nfs/dbraw/zinc/79/65/84/998796584.db2.gz VSLZZRHYTPMJFD-UHFFFAOYSA-N -1 3 406.417 3.637 20 0 HHADHM COc1ccc(CCCN(C)C(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000486657097 998879550 /nfs/dbraw/zinc/87/95/50/998879550.db2.gz XTBPQFHWMOQPOK-UHFFFAOYSA-N -1 3 407.308 3.938 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H]3CCCC[C@H]3C(=O)N3CCCC3)c2)n1 ZINC000486675366 998888512 /nfs/dbraw/zinc/88/85/12/998888512.db2.gz WZNYURVOOYVTSA-VQTJNVASSA-N -1 3 422.529 3.779 20 0 HHADHM O=S(=O)([N-]Cc1nc(-c2cccc(F)c2)no1)c1c(Cl)cccc1Cl ZINC000486835306 998963985 /nfs/dbraw/zinc/96/39/85/998963985.db2.gz QYHKRWOIWPAKBD-UHFFFAOYSA-N -1 3 402.234 3.661 20 0 HHADHM O=S(=O)([N-]Cc1nc(-c2cccc(F)c2)no1)c1ccc(F)cc1C(F)(F)F ZINC000486841093 998967097 /nfs/dbraw/zinc/96/70/97/998967097.db2.gz CDSGAWDAWZELMZ-UHFFFAOYSA-N -1 3 419.331 3.512 20 0 HHADHM O=c1[n-]c(S[C@@H]2CCc3ccccc3NC2=O)nc2c1cnn2-c1ccccc1 ZINC000478528431 999011329 /nfs/dbraw/zinc/01/13/29/999011329.db2.gz ROZNQYLAUNHBKD-QGZVFWFLSA-N -1 3 403.467 3.567 20 0 HHADHM COc1cc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)c(C)cc1C ZINC000478577228 999031633 /nfs/dbraw/zinc/03/16/33/999031633.db2.gz RELYEXWBVOUANB-UHFFFAOYSA-N -1 3 417.462 3.832 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C(N)=O)c2)cc1C(C)C ZINC000478693497 999092298 /nfs/dbraw/zinc/09/22/98/999092298.db2.gz ORARXOXZODBHQT-UHFFFAOYSA-N -1 3 420.531 3.814 20 0 HHADHM COc1ccc(-n2c(S[C@@H](C)c3nc(C)cc(=O)[n-]3)nnc2-c2ccncc2)cc1 ZINC000487194787 999093558 /nfs/dbraw/zinc/09/35/58/999093558.db2.gz DHEVTFDDDMWRJA-AWEZNQCLSA-N -1 3 420.498 3.995 20 0 HHADHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C(N)=O)c2)c(C)c1C ZINC000478708370 999099541 /nfs/dbraw/zinc/09/95/41/999099541.db2.gz BHRXFLRYOZQNCO-UHFFFAOYSA-N -1 3 404.532 3.916 20 0 HHADHM Cc1ccc(-c2nc(NC(=O)c3ccc(C)c(I)c3)n[n-]2)o1 ZINC000479464929 999429222 /nfs/dbraw/zinc/42/92/22/999429222.db2.gz NRNQIUWLVRJLCS-UHFFFAOYSA-N -1 3 408.199 3.538 20 0 HHADHM COc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C(=O)N3CCCC3)c(F)c2)c1 ZINC000479471407 999431734 /nfs/dbraw/zinc/43/17/34/999431734.db2.gz VAMJLVWWWAXZHD-UHFFFAOYSA-N -1 3 412.870 3.525 20 0 HHADHM NC(=O)c1ccc([N-]S(=O)(=O)c2ccc3cc(Br)ccc3c2)c(F)c1 ZINC000479481011 999436259 /nfs/dbraw/zinc/43/62/59/999436259.db2.gz QBUJXQYQONXVAW-UHFFFAOYSA-N -1 3 423.263 3.641 20 0 HHADHM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc4c(c3)CCC(=O)N4CC3CC3)ccc2O1 ZINC000479571357 999483277 /nfs/dbraw/zinc/48/32/77/999483277.db2.gz ZBYGYWVSQYHPPM-CQSZACIVSA-N -1 3 412.511 3.500 20 0 HHADHM O=S(=O)([N-][C@@H]1CCN(c2ccc(Br)cc2)C1)c1ccc(Cl)s1 ZINC000488647896 999557261 /nfs/dbraw/zinc/55/72/61/999557261.db2.gz TZIXVPSWHZEYOZ-LLVKDONJSA-N -1 3 421.769 3.721 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccccc1OC[C@@H]1CCCO1 ZINC000488657544 999561414 /nfs/dbraw/zinc/56/14/14/999561414.db2.gz MUZSZDNTCXARGG-AWEZNQCLSA-N -1 3 406.276 3.643 20 0 HHADHM Cc1cc(C)n(Cc2cccc(C(=O)NCc3ccc([O-])c(Br)c3)c2)n1 ZINC000488671767 999566278 /nfs/dbraw/zinc/56/62/78/999566278.db2.gz DIEBIMASECPREW-UHFFFAOYSA-N -1 3 414.303 3.946 20 0 HHADHM COc1ccccc1C1(C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CC1 ZINC000488672449 999566769 /nfs/dbraw/zinc/56/67/69/999566769.db2.gz WNJIHGBEWJEULC-UHFFFAOYSA-N -1 3 403.397 3.863 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccc(Br)c(F)c1 ZINC000488674194 999567159 /nfs/dbraw/zinc/56/71/59/999567159.db2.gz JSGMELQOWWSLTM-UHFFFAOYSA-N -1 3 403.045 3.986 20 0 HHADHM COc1ccc(NC(=O)Cc2ccco2)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000479832060 999616623 /nfs/dbraw/zinc/61/66/23/999616623.db2.gz SFFZUMZUINNIEL-UHFFFAOYSA-N -1 3 420.874 3.924 20 0 HHADHM Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC000479919045 999648733 /nfs/dbraw/zinc/64/87/33/999648733.db2.gz OTRBZWYIUDVORI-JTQLQIEISA-N -1 3 411.396 3.688 20 0 HHADHM O=S(=O)([N-]C[C@@H]1CCN(c2ccccc2)C1)c1ccc(F)cc1C(F)(F)F ZINC000488941058 999653017 /nfs/dbraw/zinc/65/30/17/999653017.db2.gz OQZGSIYQXWKAQK-ZDUSSCGKSA-N -1 3 402.413 3.649 20 0 HHADHM O=S(=O)([N-]C[C@H]1CCN(c2ccccc2)C1)c1ccc(F)cc1C(F)(F)F ZINC000488941056 999653029 /nfs/dbraw/zinc/65/30/29/999653029.db2.gz OQZGSIYQXWKAQK-CYBMUJFWSA-N -1 3 402.413 3.649 20 0 HHADHM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3CCOC)cc1 ZINC000488993482 999666824 /nfs/dbraw/zinc/66/68/24/999666824.db2.gz NOZFDHYZDACUPO-MRXNPFEDSA-N -1 3 416.543 3.927 20 0 HHADHM O=C([N-]c1cc(C(F)(F)F)ccc1SCC(F)F)c1cn([C@@H]2CCOC2)nn1 ZINC000479986136 999675143 /nfs/dbraw/zinc/67/51/43/999675143.db2.gz DGJCPFAFLWZPED-SNVBAGLBSA-N -1 3 422.379 3.868 20 0 HHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000480000300 999681284 /nfs/dbraw/zinc/68/12/84/999681284.db2.gz RUFVFFLEXYHMCA-QGZVFWFLSA-N -1 3 407.438 3.666 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)Nc1cccc(C(C)(C)C)c1O ZINC000480074696 999710135 /nfs/dbraw/zinc/71/01/35/999710135.db2.gz RECQYKMWVBKUOM-UHFFFAOYSA-N -1 3 406.486 3.715 20 0 HHADHM O=S(=O)([N-][C@@H]1CCCOc2c(F)cccc21)c1cc(F)ccc1Br ZINC000480077256 999710808 /nfs/dbraw/zinc/71/08/08/999710808.db2.gz ZVDVOMPDBONEGM-CQSZACIVSA-N -1 3 418.259 3.920 20 0 HHADHM CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000489146896 999711559 /nfs/dbraw/zinc/71/15/59/999711559.db2.gz HTWJCEUYEOTLBN-OAHLLOKOSA-N -1 3 412.534 3.614 20 0 HHADHM Cc1cc(N2CCOCC2)ccc1[N-]S(=O)(=O)c1ccc(CC(F)(F)F)cc1 ZINC000480192915 999741300 /nfs/dbraw/zinc/74/13/00/999741300.db2.gz KIHGGRBNMROEQL-UHFFFAOYSA-N -1 3 414.449 3.737 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1ccccc1CN1CCc2ccccc21 ZINC000480312672 999768726 /nfs/dbraw/zinc/76/87/26/999768726.db2.gz FMRMWGWHZWNERP-UHFFFAOYSA-N -1 3 416.407 3.708 20 0 HHADHM CC(C)(COc1cc(Cl)cc(Cl)c1)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000480416082 999793446 /nfs/dbraw/zinc/79/34/46/999793446.db2.gz YPFHPUFOCNDUEJ-UHFFFAOYSA-N -1 3 411.211 3.852 20 0 HHADHM COC1CCC(C)(C[N-]S(=O)(=O)c2cccc(Cl)c2Br)CC1 ZINC000480442276 999800095 /nfs/dbraw/zinc/80/00/95/999800095.db2.gz SSRVKDBFGTYLTI-UHFFFAOYSA-N -1 3 410.761 3.976 20 0 HHADHM O=S(=O)([N-]Cc1cccc(-c2ncc[nH]2)c1)c1cccc(OC(F)(F)F)c1F ZINC000489663492 999812911 /nfs/dbraw/zinc/81/29/11/999812911.db2.gz VYMGAVHJBOHBSI-UHFFFAOYSA-N -1 3 415.368 3.593 20 0 HHADHM COc1cc(C(=O)NCC(C)(C)c2ccc(Br)cc2)cc(OC)c1[O-] ZINC000480514312 999816237 /nfs/dbraw/zinc/81/62/37/999816237.db2.gz OTFIPWZWVRXJRM-UHFFFAOYSA-N -1 3 408.292 3.880 20 0 HHADHM C[C@H]1CN(c2cccc(F)c2)CCN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000489724818 999824989 /nfs/dbraw/zinc/82/49/89/999824989.db2.gz MFCPGMZNTHXAFI-ZDUSSCGKSA-N -1 3 422.298 3.714 20 0 HHADHM C/C=C/c1ccc(NC(=O)C2([N-]S(=O)(=O)c3c(C)noc3C)CCCC2)cc1 ZINC000489955389 999868982 /nfs/dbraw/zinc/86/89/82/999868982.db2.gz RCYQUIZVJSXMOV-QPJJXVBHSA-N -1 3 403.504 3.554 20 0 HHADHM CC(C)[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)C1(CO)CCC1 ZINC000490125197 999896682 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HHADHM CC(C)c1nnc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2Br)s1 ZINC000490471141 999962744 /nfs/dbraw/zinc/96/27/44/999962744.db2.gz PFWDITFJSBLWFN-UHFFFAOYSA-N -1 3 424.773 3.598 20 0 HHADHM Cc1ccc(S[C@H](C(=O)Nc2n[n-]c(SCCO)n2)c2ccccc2)c(C)c1 ZINC000490558627 999976898 /nfs/dbraw/zinc/97/68/98/999976898.db2.gz AGNLUBIJRJYPTQ-KRWDZBQOSA-N -1 3 414.556 3.978 20 0 HHADHM Cc1nc(C)c(CC(=O)N[C@@H](c2ccc(Br)cc2)C2CCC2)c(=O)[n-]1 ZINC000490723274 999997405 /nfs/dbraw/zinc/99/74/05/999997405.db2.gz UOFKDHFFRGUZDY-GOSISDBHSA-N -1 3 404.308 3.762 20 0 HHADHM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2OCCC2CC2)s1 ZINC000493896151 1000204172 /nfs/dbraw/zinc/20/41/72/1000204172.db2.gz DGEUXZQZBRZSHN-JTQLQIEISA-N -1 3 401.941 3.718 20 0 HHADHM COc1cc(C(=O)N[C@H](C)Cc2ccc(F)c(Br)c2)cc(OC)c1[O-] ZINC000493912409 1000210886 /nfs/dbraw/zinc/21/08/86/1000210886.db2.gz ZKWZFDFYBDNRHV-SNVBAGLBSA-N -1 3 412.255 3.672 20 0 HHADHM CC1(C)[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2Br)[C@H]2CCCO[C@@H]21 ZINC000493918079 1000213883 /nfs/dbraw/zinc/21/38/83/1000213883.db2.gz XCVSKGVEOODSLD-FZQKWOKYSA-N -1 3 408.745 3.584 20 0 HHADHM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1)C(F)(F)F ZINC000493923241 1000216241 /nfs/dbraw/zinc/21/62/41/1000216241.db2.gz ADWWSRZLIONZRM-YPMHNXCESA-N -1 3 415.861 3.765 20 0 HHADHM O=S(=O)([N-]Cc1nc(C2CC2)cs1)c1cccc(Cl)c1Br ZINC000493944358 1000229516 /nfs/dbraw/zinc/22/95/16/1000229516.db2.gz IFXDEKWFZBLYMR-UHFFFAOYSA-N -1 3 407.742 3.915 20 0 HHADHM O=S(=O)([N-][C@@H]1COc2ccc(F)cc21)c1cccc(Cl)c1Br ZINC000493962733 1000239918 /nfs/dbraw/zinc/23/99/18/1000239918.db2.gz VZCIVGRZWFPPES-LLVKDONJSA-N -1 3 406.660 3.654 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NC[C@@H]2CCCCC(F)(F)C2)cc1OC ZINC000493977716 1000249368 /nfs/dbraw/zinc/24/93/68/1000249368.db2.gz PCXHJBJZNGVZCN-CYBMUJFWSA-N -1 3 419.494 3.794 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3nnc4n3CCCCC4)c2C)cc1 ZINC000504525163 1000250757 /nfs/dbraw/zinc/25/07/57/1000250757.db2.gz VSUBGIJMVHYFKX-UHFFFAOYSA-N -1 3 412.515 3.789 20 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420.485 3.520 20 0 HHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)[C@@H]3CCSC3)c2)cc1 ZINC000534461088 1006446071 /nfs/dbraw/zinc/44/60/71/1006446071.db2.gz LQPGFANGRAYMCM-QGZVFWFLSA-N -1 3 404.557 3.682 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CC=C(C)CC3)ccc2C)cc1 ZINC000534463435 1006448836 /nfs/dbraw/zinc/44/88/36/1006448836.db2.gz MTCCLRBJINCJNP-UHFFFAOYSA-N -1 3 414.527 3.987 20 0 HHADHM C[C@@H]([N-]S(=O)(=O)Cc1ccccc1)c1nc(-c2ccc(Br)cc2)no1 ZINC000531856577 1006477751 /nfs/dbraw/zinc/47/77/51/1006477751.db2.gz DUQWJJHMBLHFDO-GFCCVEGCSA-N -1 3 422.304 3.680 20 0 HHADHM COC[C@@H]([N-]S(=O)(=O)c1ccc(Br)s1)c1cccc(Cl)c1 ZINC000515474925 1006488129 /nfs/dbraw/zinc/48/81/29/1006488129.db2.gz ADXFTMLYPHYMJL-LLVKDONJSA-N -1 3 410.742 3.830 20 0 HHADHM CC[C@H]([N-]S(=O)(=O)c1cc(F)c(Br)cc1F)c1c(C)noc1C ZINC000534510515 1006507683 /nfs/dbraw/zinc/50/76/83/1006507683.db2.gz UCRFOQLKIMDGLA-LBPRGKRZSA-N -1 3 409.252 3.762 20 0 HHADHM Cc1ccccc1-c1cnc(CS(=O)(=O)c2nc(CCC3CCCC3)n[n-]2)o1 ZINC000534527314 1006521203 /nfs/dbraw/zinc/52/12/03/1006521203.db2.gz FNOCEKRRYBWQIM-UHFFFAOYSA-N -1 3 400.504 3.865 20 0 HHADHM Cc1ccccc1-c1cnc(CS(=O)(=O)c2nnc(CCC3CCCC3)[n-]2)o1 ZINC000534527314 1006521213 /nfs/dbraw/zinc/52/12/13/1006521213.db2.gz FNOCEKRRYBWQIM-UHFFFAOYSA-N -1 3 400.504 3.865 20 0 HHADHM CCO[C@@H]1C[C@H](N(C)C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C12CCC2 ZINC000531927390 1006525381 /nfs/dbraw/zinc/52/53/81/1006525381.db2.gz RWZASXZNOMHYIN-ZWKOTPCHSA-N -1 3 419.319 3.710 20 0 HHADHM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(NC(=O)CN2CCCCCC2)cc1 ZINC000515628847 1006566448 /nfs/dbraw/zinc/56/64/48/1006566448.db2.gz PBFJWSZILGBXFG-UHFFFAOYSA-N -1 3 419.522 3.749 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(Sc3nccn3C)cc2)cc1C ZINC000515691436 1006592202 /nfs/dbraw/zinc/59/22/02/1006592202.db2.gz GMMXZRLCQCKVKA-UHFFFAOYSA-N -1 3 403.529 3.998 20 0 HHADHM O=S(=O)([N-]Cc1ccnc(N2CCCCC2)c1)c1c(Cl)cccc1Cl ZINC000515761289 1006651389 /nfs/dbraw/zinc/65/13/89/1006651389.db2.gz VMMPYUKXJUASHI-UHFFFAOYSA-N -1 3 400.331 3.857 20 0 HHADHM COCCOc1ccc(S(=O)(=O)[N-]c2cc(-c3ncco3)ccc2C)cc1C ZINC000534686791 1006668476 /nfs/dbraw/zinc/66/84/76/1006668476.db2.gz FZHMYBSZWVWGLM-UHFFFAOYSA-N -1 3 402.472 3.784 20 0 HHADHM O=C(CSc1nc2nncc-2c(O)[n-]1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000532150826 1006672887 /nfs/dbraw/zinc/67/28/87/1006672887.db2.gz XKRLPWVEJVUNDI-CYBMUJFWSA-N -1 3 424.313 3.821 20 0 HHADHM Cc1ccc(CC(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3F)c2)cn1 ZINC000515934910 1006775892 /nfs/dbraw/zinc/77/58/92/1006775892.db2.gz MBPFIOJJWRDMHA-UHFFFAOYSA-N -1 3 413.474 3.820 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC(F)(F)C3)ccc2C)cc1 ZINC000538517498 1006781795 /nfs/dbraw/zinc/78/17/95/1006781795.db2.gz FNTLECIPEVIIPH-UHFFFAOYSA-N -1 3 424.469 3.676 20 0 HHADHM COc1cc2c(cc1F)CN(C(=O)Nc1ccc(-c3cc(=O)[n-]c(C)n3)cc1)CC2 ZINC000538524542 1006787499 /nfs/dbraw/zinc/78/74/99/1006787499.db2.gz ZXPCMPRGZYGCLR-UHFFFAOYSA-N -1 3 408.433 3.896 20 0 HHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)C[C@@H]3CCCCO3)c2)cc1 ZINC000515978405 1006804823 /nfs/dbraw/zinc/80/48/23/1006804823.db2.gz MUYYMAQUOCWJLG-IBGZPJMESA-N -1 3 416.543 3.745 20 0 HHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(C)ccc1Br ZINC000534899636 1006931087 /nfs/dbraw/zinc/93/10/87/1006931087.db2.gz ADBNEUNTYPIRQB-UHFFFAOYSA-N -1 3 418.696 3.998 20 0 HHADHM O=c1nc(CN2CCN(c3ncccc3F)CC2)[n-]c2scc(-c3ccco3)c21 ZINC000534915648 1006950994 /nfs/dbraw/zinc/95/09/94/1006950994.db2.gz VMDSVSYWRVKYAB-UHFFFAOYSA-N -1 3 411.462 3.513 20 0 HHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)c1 ZINC000532516156 1006952732 /nfs/dbraw/zinc/95/27/32/1006952732.db2.gz KKXNGUDLMYLZMC-LLVKDONJSA-N -1 3 413.421 3.846 20 0 HHADHM C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000534926940 1006962770 /nfs/dbraw/zinc/96/27/70/1006962770.db2.gz NCRCXBMRCXQYRD-LBPRGKRZSA-N -1 3 415.287 3.699 20 0 HHADHM CCCCCNC(=O)[C@@H](C)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000532546810 1006979067 /nfs/dbraw/zinc/97/90/67/1006979067.db2.gz ZYIZNUBQDNJNBN-GOSISDBHSA-N -1 3 417.575 3.614 20 0 HHADHM CCCCCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)[C@H](C)O3)cc1 ZINC000516344370 1007031414 /nfs/dbraw/zinc/03/14/14/1007031414.db2.gz PRUIOKAOJNWSRN-AWEZNQCLSA-N -1 3 404.488 3.776 20 0 HHADHM O=C(CNC(=O)c1ccc([O-])cc1)NCC1(c2ccc(Cl)cc2Cl)CCC1 ZINC000538826615 1007098826 /nfs/dbraw/zinc/09/88/26/1007098826.db2.gz ASCXNNKQOOBQNS-UHFFFAOYSA-N -1 3 407.297 3.667 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(Cc2ccccc2)CC(F)F)c1 ZINC000538835404 1007108185 /nfs/dbraw/zinc/10/81/85/1007108185.db2.gz FBJPVLAGVKVBKT-UHFFFAOYSA-N -1 3 415.396 3.848 20 0 HHADHM CCN(C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)c1ccccc1C ZINC000516525907 1007134439 /nfs/dbraw/zinc/13/44/39/1007134439.db2.gz KJZPDDBCSZXZFE-UHFFFAOYSA-N -1 3 401.463 3.930 20 0 HHADHM O=c1cc(C(F)(F)F)nc(CNc2cc(Cl)ccc2N2CCC(CO)CC2)[n-]1 ZINC000538875360 1007154563 /nfs/dbraw/zinc/15/45/63/1007154563.db2.gz COKIECAJBYQLBL-UHFFFAOYSA-N 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C[C@H](Oc1ccc(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)cn1)c1ccccc1 ZINC000532864895 1007252950 /nfs/dbraw/zinc/25/29/50/1007252950.db2.gz GIMYHHWAVDEGAL-HNNXBMFYSA-N -1 3 400.442 3.578 20 0 HHADHM C[C@H](Oc1ccc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)cn1)c1ccccc1 ZINC000532864895 1007252956 /nfs/dbraw/zinc/25/29/56/1007252956.db2.gz GIMYHHWAVDEGAL-HNNXBMFYSA-N -1 3 400.442 3.578 20 0 HHADHM COc1ccc([C@H](OC)[C@@H](C)[N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000538969731 1007260432 /nfs/dbraw/zinc/26/04/32/1007260432.db2.gz RACSJFMCESEDND-MEBBXXQBSA-N -1 3 420.350 3.574 20 0 HHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccn(-c4ccc(Cl)cc4)n3)cc2)n1 ZINC000535232981 1007286874 /nfs/dbraw/zinc/28/68/74/1007286874.db2.gz HWTZSGKKAHAIEO-UHFFFAOYSA-N -1 3 405.845 3.837 20 0 HHADHM CC(=O)N(c1ccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cc1)[C@@H]1C[C@@H]1C ZINC000516803870 1007298694 /nfs/dbraw/zinc/29/86/94/1007298694.db2.gz DIEAILPWZSAVGG-FKIZINRSSA-N -1 3 407.445 3.989 20 0 HHADHM CCCc1cc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)n(C)n1 ZINC000539018809 1007315570 /nfs/dbraw/zinc/31/55/70/1007315570.db2.gz OFBLELPRIFVRSE-UHFFFAOYSA-N -1 3 416.478 3.565 20 0 HHADHM COC(=O)c1sc2[n-]c(CN(Cc3ccc(F)cc3)CC3CC3)nc(=O)c2c1C ZINC000532976162 1007344765 /nfs/dbraw/zinc/34/47/65/1007344765.db2.gz BQBFXZKYTZDLGL-UHFFFAOYSA-N -1 3 415.490 3.631 20 0 HHADHM COC(=O)c1sc2[n-]c(CN3C[C@@H](c4ccccc4C)C[C@H]3C)nc(=O)c2c1C ZINC000532978334 1007348293 /nfs/dbraw/zinc/34/82/93/1007348293.db2.gz ZWHWTHBUJZQUDZ-HIFRSBDPSA-N -1 3 411.527 3.766 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(NCCOc3cccc(C(F)(F)F)n3)nc2)n1 ZINC000535329216 1007382626 /nfs/dbraw/zinc/38/26/26/1007382626.db2.gz JXLIGDUJAVPTDS-UHFFFAOYSA-N -1 3 405.380 3.711 20 0 HHADHM Cc1cccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCO3)c1Br ZINC000535341192 1007394418 /nfs/dbraw/zinc/39/44/18/1007394418.db2.gz QMUKSYFJHSYNLZ-UHFFFAOYSA-N -1 3 404.669 3.940 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(CN(C)C)c2)c2cccnc12 ZINC000533039020 1007398166 /nfs/dbraw/zinc/39/81/66/1007398166.db2.gz IRYPVMBBMOBEOA-UHFFFAOYSA-N -1 3 405.907 3.759 20 0 HHADHM O=C(CN1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1)NCCC1CCCCC1 ZINC000533147530 1007485542 /nfs/dbraw/zinc/48/55/42/1007485542.db2.gz DDJKDAJFKLQVQQ-UHFFFAOYSA-N -1 3 421.969 3.783 20 0 HHADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12 ZINC000535440056 1007502312 /nfs/dbraw/zinc/50/23/12/1007502312.db2.gz DWAMDCQNMFIDRH-KXBFYZLASA-N -1 3 406.866 3.714 20 0 HHADHM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc2ccccc2c1)c1ccc(OC(F)F)cc1 ZINC000539222802 1007514836 /nfs/dbraw/zinc/51/48/36/1007514836.db2.gz APXIKHNTJBPFSP-SFHVURJKSA-N -1 3 421.421 3.634 20 0 HHADHM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1c(C)nn(C(C)C)c1C)c1ccco1 ZINC000533188259 1007527114 /nfs/dbraw/zinc/52/71/14/1007527114.db2.gz FRWWKZAZNIELSF-LJQANCHMSA-N -1 3 403.504 3.750 20 0 HHADHM COc1ccccc1COc1cccc(NC(=O)Cc2c(C)nc(C)[n-]c2=O)c1C ZINC000535469275 1007530908 /nfs/dbraw/zinc/53/09/08/1007530908.db2.gz MBXZIWLXMXUJIS-UHFFFAOYSA-N -1 3 407.470 3.876 20 0 HHADHM C[C@@H]1CCCC[C@H]1N(C)C(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000533208267 1007536675 /nfs/dbraw/zinc/53/66/75/1007536675.db2.gz DQDUMPALFBAXDO-BDJLRTHQSA-N -1 3 424.282 3.783 20 0 HHADHM CCCN(Cc1ccc(F)cc1)Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1 ZINC000533249148 1007568411 /nfs/dbraw/zinc/56/84/11/1007568411.db2.gz RBWLHCIDJZRENF-UHFFFAOYSA-N -1 3 403.479 3.631 20 0 HHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CCC(OCC(C)C)CC3)nc(=O)c2c1C ZINC000533251078 1007569778 /nfs/dbraw/zinc/56/97/78/1007569778.db2.gz XONUFMVILMMUBZ-CQSZACIVSA-N -1 3 421.563 3.668 20 0 HHADHM CSc1cccc(NC(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)c1C ZINC000539312513 1007610934 /nfs/dbraw/zinc/61/09/34/1007610934.db2.gz RTADFGABQBOFLX-UHFFFAOYSA-N -1 3 419.981 3.532 20 0 HHADHM CCN(Cc1nc2c3ccccc3oc2c(=O)[n-]1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000533295826 1007611935 /nfs/dbraw/zinc/61/19/35/1007611935.db2.gz VHHNAJZIQYCBDR-QGZVFWFLSA-N -1 3 402.454 3.709 20 0 HHADHM CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2cccc([O-])c2F)c1 ZINC000535658152 1007673290 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20 0 HHADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CCC(OC2CCCC2)CC1 ZINC000541574080 1012363677 /nfs/dbraw/zinc/36/36/77/1012363677.db2.gz JBJAUUIANACNKU-UHFFFAOYSA-N -1 3 419.319 3.854 20 0 HHADHM Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3c([O-])cccc3Cl)CC2)cc1C ZINC000552434594 1012453637 /nfs/dbraw/zinc/45/36/37/1012453637.db2.gz QEWFXNLAVRNYQL-UHFFFAOYSA-N -1 3 422.934 3.702 20 0 HHADHM O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)Nc1c([O-])cccc1Cl ZINC000552435340 1012455730 /nfs/dbraw/zinc/45/57/30/1012455730.db2.gz BGVBPESKUMNLTI-UHFFFAOYSA-N -1 3 403.891 3.725 20 0 HHADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1c2cc(Br)ccc2SC[C@@H]1C ZINC000552527761 1012545484 /nfs/dbraw/zinc/54/54/84/1012545484.db2.gz DSNSCFDCVRDDHP-RTHLEPHNSA-N -1 3 417.350 3.815 20 0 HHADHM CCCN(C)[C@@H](CNC(=O)c1ccccc1[N-]S(C)(=O)=O)c1ccc(Cl)cc1 ZINC000552674799 1012679998 /nfs/dbraw/zinc/67/99/98/1012679998.db2.gz GBSIAVXAOGIGPU-IBGZPJMESA-N -1 3 423.966 3.524 20 0 HHADHM Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000552675597 1012681604 /nfs/dbraw/zinc/68/16/04/1012681604.db2.gz SBBWJFUNBSZUSO-UHFFFAOYSA-N -1 3 415.501 3.608 20 0 HHADHM Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000552675597 1012681617 /nfs/dbraw/zinc/68/16/17/1012681617.db2.gz SBBWJFUNBSZUSO-UHFFFAOYSA-N -1 3 415.501 3.608 20 0 HHADHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc2ccccc2c1)c1nc(-c2ccncc2)no1 ZINC000523977207 1012722971 /nfs/dbraw/zinc/72/29/71/1012722971.db2.gz FQCARFAZCHSHLL-LJQANCHMSA-N -1 3 408.483 3.960 20 0 HHADHM C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2c([O-])cccc2Cl)cc1 ZINC000552783449 1012789091 /nfs/dbraw/zinc/78/90/91/1012789091.db2.gz WTVFBNPFJZUXOY-ZDUSSCGKSA-N -1 3 408.907 3.861 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N[C@@H]1CCCSC1 ZINC000552850318 1012855165 /nfs/dbraw/zinc/85/51/65/1012855165.db2.gz XXQCGUCFNCLAMY-CQSZACIVSA-N -1 3 408.520 3.560 20 0 HHADHM CC(=O)c1cc(F)c([N-]C(=O)c2nnn(-c3cccc4cnccc43)c2C)c(F)c1 ZINC000537442101 1012933998 /nfs/dbraw/zinc/93/39/98/1012933998.db2.gz 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/nfs/dbraw/zinc/41/69/22/966416922.db2.gz QLUDMFDPXSXHEE-OAHLLOKOSA-N -1 3 422.330 3.596 20 0 HHADHM COc1cccc([C@@H](CNC(=O)c2cc(Br)ccc2[O-])N2CCCC2)c1 ZINC000036074964 966426373 /nfs/dbraw/zinc/42/63/73/966426373.db2.gz BVSWZBKACLYCKO-GOSISDBHSA-N -1 3 419.319 3.730 20 0 HHADHM O=C(NCC1(c2cccc(Cl)c2)CCCC1)N[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000056800214 966468673 /nfs/dbraw/zinc/46/86/73/966468673.db2.gz GCHSQACHWRINTO-UHFFFAOYSA-N -1 3 416.865 3.704 20 0 HHADHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cccc(N3CCCS3(=O)=O)c2)c(C)c1C ZINC000038695119 966485689 /nfs/dbraw/zinc/48/56/89/966485689.db2.gz FHJRQMDOOFXMDN-UHFFFAOYSA-N -1 3 422.572 3.569 20 0 HHADHM Cc1ccc2c(c1)CC[C@H]2NC(=O)N[N-]C(=O)c1ccc(F)cc1Br ZINC000056851127 966493624 /nfs/dbraw/zinc/49/36/24/966493624.db2.gz UECXEYPKRNCBTI-MRXNPFEDSA-N -1 3 406.255 3.528 20 0 HHADHM COc1ccccc1[C@@H](C[N-]S(=O)(=O)c1cccnc1C(F)(F)F)OC(C)C ZINC000553853322 1013657032 /nfs/dbraw/zinc/65/70/32/1013657032.db2.gz RHKKMLOEMDHOTQ-OAHLLOKOSA-N -1 3 418.437 3.554 20 0 HHADHM Cc1ccc([C@H](CNC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)N2CCCC2)cc1 ZINC000061633736 966516811 /nfs/dbraw/zinc/51/68/11/966516811.db2.gz UAVNFQAUTZHKNM-IBGZPJMESA-N -1 3 408.527 3.873 20 0 HHADHM CS(=O)(=O)[N-]c1ccc(C(=O)OCc2ccc(Br)cc2Cl)cc1 ZINC000061651369 966521569 /nfs/dbraw/zinc/52/15/69/966521569.db2.gz HRTHOBMHCAICIX-UHFFFAOYSA-N -1 3 418.696 3.831 20 0 HHADHM CC(C)(C)OC1CC(CC[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)C1 ZINC000553855847 1013657995 /nfs/dbraw/zinc/65/79/95/1013657995.db2.gz FHJQASPUYWJXPF-UHFFFAOYSA-N -1 3 413.433 3.986 20 0 HHADHM COCc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3C(N)=O)cc2)cc1 ZINC000538089657 1013662763 /nfs/dbraw/zinc/66/27/63/1013662763.db2.gz BBXJPGGOENMEEV-UHFFFAOYSA-N -1 3 412.467 3.525 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)cc1Cl ZINC000041616383 966604934 /nfs/dbraw/zinc/60/49/34/966604934.db2.gz CBNCTBOXWLPIJC-UHFFFAOYSA-N -1 3 408.785 3.650 20 0 HHADHM COc1ccccc1NC(=S)N[N-]C(=O)c1cc(Br)ccc1Cl ZINC000042082989 966711116 /nfs/dbraw/zinc/71/11/16/966711116.db2.gz HFRVTWBYKRVUSC-UHFFFAOYSA-N -1 3 414.712 3.743 20 0 HHADHM C[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)[N-]C3CC3)c(Cl)cc2Cl)CC1 ZINC000063275249 966800272 /nfs/dbraw/zinc/80/02/72/966800272.db2.gz ODLJWUXDWIUJGT-LLVKDONJSA-N -1 3 405.347 3.696 20 0 HHADHM Cc1ccc(NC(=O)CN2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c(C)c1 ZINC000042743181 966840909 /nfs/dbraw/zinc/84/09/09/966840909.db2.gz VIHQORZNDYEEGH-UHFFFAOYSA-N -1 3 415.921 3.952 20 0 HHADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(N)c(Cl)c2)cc1 ZINC000063442547 966859321 /nfs/dbraw/zinc/85/93/21/966859321.db2.gz FHNGUIOEQMAGBA-UHFFFAOYSA-N -1 3 405.303 3.792 20 0 HHADHM CC(C)[C@@H](Sc1nnc([N-]c2ccccc2F)s1)C(=O)NC[C@H]1CCCO1 ZINC000042942174 966874059 /nfs/dbraw/zinc/87/40/59/966874059.db2.gz RJQJNPZBINIEGL-IUODEOHRSA-N -1 3 410.540 3.833 20 0 HHADHM O=C(NCCCSc1ccccc1)N[N-]C(=O)c1ccccc1Br ZINC000043108655 966907878 /nfs/dbraw/zinc/90/78/78/966907878.db2.gz LOEOTWYWIFAZFA-UHFFFAOYSA-N -1 3 408.321 3.576 20 0 HHADHM Cc1ccc(NC(=O)C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c(Cl)c1 ZINC000063766226 966952122 /nfs/dbraw/zinc/95/21/22/966952122.db2.gz GOVIJXPBNVWUSK-UHFFFAOYSA-N -1 3 407.706 3.872 20 0 HHADHM O=S(=O)([N-][C@@H](CCO)c1ccc(Cl)cc1)c1ccc(F)cc1C(F)(F)F ZINC000553904723 1013690191 /nfs/dbraw/zinc/69/01/91/1013690191.db2.gz BKSLVRPEHDPGAD-AWEZNQCLSA-N -1 3 411.804 3.900 20 0 HHADHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000063944640 967006031 /nfs/dbraw/zinc/00/60/31/967006031.db2.gz YLUMGJNHAYGHOG-CYBMUJFWSA-N -1 3 408.376 3.999 20 0 HHADHM COc1ccccc1OCC[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000043767608 967028628 /nfs/dbraw/zinc/02/86/28/967028628.db2.gz PVOLMMTWKFHKDL-UHFFFAOYSA-N -1 3 409.813 3.725 20 0 HHADHM CC(C)(CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])c1cccc(Cl)c1 ZINC000064056943 967036375 /nfs/dbraw/zinc/03/63/75/967036375.db2.gz PSJQHZAUONSUGU-GOSISDBHSA-N -1 3 400.906 3.744 20 0 HHADHM COCCOc1ccccc1C(=O)O[C@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000064059988 967037200 /nfs/dbraw/zinc/03/72/00/967037200.db2.gz UBDOYRRYXOJZJG-GFCCVEGCSA-N -1 3 402.472 3.545 20 0 HHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)Cc3csc(Cc4ccccc4)n3)cc2)n1 ZINC000064341974 967147282 /nfs/dbraw/zinc/14/72/82/967147282.db2.gz IDCKAUDHLNQUFC-UHFFFAOYSA-N -1 3 416.506 3.974 20 0 HHADHM O=C1Cc2cc(S(=O)(=O)[N-]c3ccc(OCc4ccccc4F)cc3)ccc2N1 ZINC000064478368 967205633 /nfs/dbraw/zinc/20/56/33/967205633.db2.gz RLGIKKUFRBMBGL-UHFFFAOYSA-N -1 3 412.442 3.700 20 0 HHADHM COC(=O)CCOc1ccc([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1 ZINC000064479396 967206665 /nfs/dbraw/zinc/20/66/65/967206665.db2.gz GNRKYIYIPUSUAJ-UHFFFAOYSA-N -1 3 405.516 3.971 20 0 HHADHM COc1ccc([C@H](NC(=O)N[N-]C(=O)c2ccccc2Br)C2CC2)cc1 ZINC000045319297 967421527 /nfs/dbraw/zinc/42/15/27/967421527.db2.gz FSRRGKQPXVEUJU-QGZVFWFLSA-N -1 3 418.291 3.553 20 0 HHADHM Cc1ccc(CNC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)s1 ZINC000045678666 967531780 /nfs/dbraw/zinc/53/17/80/967531780.db2.gz IUNWLMLCNBBZAJ-UHFFFAOYSA-N -1 3 407.923 3.976 20 0 HHADHM O=c1[n-]c(CN[C@H](CO)c2ccc(C(F)(F)F)cc2)nc2c3ccccc3oc21 ZINC000542881675 1013730627 /nfs/dbraw/zinc/73/06/27/1013730627.db2.gz TXFBGZBLLFXSHT-CQSZACIVSA-N -1 3 403.360 3.924 20 0 HHADHM COc1ccc(-c2csc(NC(=O)c3c[n-]c4ccccc4c3=O)n2)cc1OC ZINC000046017001 967636910 /nfs/dbraw/zinc/63/69/10/967636910.db2.gz DFTFDBKKGDBBHJ-UHFFFAOYSA-N -1 3 407.451 3.921 20 0 HHADHM O=C(OCc1ccc(Br)cc1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000046331940 967745207 /nfs/dbraw/zinc/74/52/07/967745207.db2.gz YOKFCQYDEYEHAB-MRXNPFEDSA-N -1 3 404.260 3.503 20 0 HHADHM O=C(OCc1csc(-c2cccs2)n1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000046333217 967746130 /nfs/dbraw/zinc/74/61/30/967746130.db2.gz MUYJFDFLUKKCIP-HNNXBMFYSA-N -1 3 414.508 3.925 20 0 HHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3oc4c(c3C)C(=O)CCC4)nc(=O)c2c1C ZINC000046393752 967778329 /nfs/dbraw/zinc/77/83/29/967778329.db2.gz BOTWDJVBHRBCII-SNVBAGLBSA-N -1 3 400.456 3.940 20 0 HHADHM O=C(COC(=O)c1cccc(OCc2cccs2)c1)[N-]C(=O)c1cccs1 ZINC000046410918 967789979 /nfs/dbraw/zinc/78/99/79/967789979.db2.gz LCBSZAGJDVGJFY-UHFFFAOYSA-N -1 3 401.465 3.502 20 0 HHADHM Cc1nc(C)c(CC(=O)O[C@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)c(=O)[n-]1 ZINC000046416566 967790993 /nfs/dbraw/zinc/79/09/93/967790993.db2.gz ONWKKRNGSLNUHG-QHCPKHFHSA-N -1 3 415.449 3.578 20 0 HHADHM COc1cccc(CC(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)c1 ZINC000046462763 967812999 /nfs/dbraw/zinc/81/29/99/967812999.db2.gz SVLFIMIXMMHNLX-UHFFFAOYSA-N -1 3 410.495 3.986 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)COc3ccc(F)cc3)cc2)cc1 ZINC000046462622 967813118 /nfs/dbraw/zinc/81/31/18/967813118.db2.gz NNHVGUGJHXABHM-UHFFFAOYSA-N -1 3 414.458 3.952 20 0 HHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(C)CCCCc2ccccc2)ccc1F ZINC000046634023 967893359 /nfs/dbraw/zinc/89/33/59/967893359.db2.gz SGBNADNZRMUSAC-UHFFFAOYSA-N -1 3 406.523 3.607 20 0 HHADHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1cc(Cl)ccc1N1CCCCC1 ZINC000046851362 967989954 /nfs/dbraw/zinc/98/99/54/967989954.db2.gz ZFRCERYKIHWCCW-UHFFFAOYSA-N -1 3 416.909 3.587 20 0 HHADHM CC(C)(C)C[C@H](NC(=O)N[N-]C(=O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000046899438 968003242 /nfs/dbraw/zinc/00/32/42/968003242.db2.gz LQJSYSPTYJQFKS-KRWDZBQOSA-N -1 3 402.426 3.855 20 0 HHADHM O=C(N[C@@H](c1ccccc1)C1CC1)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000047271353 968114022 /nfs/dbraw/zinc/11/40/22/968114022.db2.gz ZPKOIRRQGLONLF-FQEVSTJZSA-N -1 3 413.474 3.836 20 0 HHADHM O=C(c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)N1CCC[C@@H]1c1ccccc1 ZINC000047271266 968114046 /nfs/dbraw/zinc/11/40/46/968114046.db2.gz BKHNEHQTRVCRKS-HXUWFJFHSA-N -1 3 413.474 3.932 20 0 HHADHM CCN(Cc1cccc(F)c1)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000047296971 968129252 /nfs/dbraw/zinc/12/92/52/968129252.db2.gz SZEVWECYUZRKPN-UHFFFAOYSA-N -1 3 419.453 3.756 20 0 HHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000047327956 968139763 /nfs/dbraw/zinc/13/97/63/968139763.db2.gz UNZZMKSKUSZRIC-NSHDSACASA-N -1 3 417.296 3.867 20 0 HHADHM CC(C)n1nccc1NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000047362744 968157469 /nfs/dbraw/zinc/15/74/69/968157469.db2.gz FHZLRMVMEYGYQE-UHFFFAOYSA-N -1 3 405.886 3.706 20 0 HHADHM CCN(Cc1cccc([N-]S(=O)(=O)c2ccc(F)cc2C)c1)C(=O)C(F)(F)F ZINC000047906336 968358162 /nfs/dbraw/zinc/35/81/62/968358162.db2.gz LDTULKKOSBQEOA-UHFFFAOYSA-N -1 3 418.412 3.846 20 0 HHADHM CC(C)CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000048031566 968394226 /nfs/dbraw/zinc/39/42/26/968394226.db2.gz PPLLPKLUXQCNNV-IBGZPJMESA-N -1 3 409.486 3.620 20 0 HHADHM Cc1cccc(C)c1OCC(=O)N[N-]C(=O)c1ccc(Br)cc1Cl ZINC000048191147 968477381 /nfs/dbraw/zinc/47/73/81/968477381.db2.gz WSNNOUIGHJECEW-UHFFFAOYSA-N -1 3 411.683 3.559 20 0 HHADHM Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)c2ccc(C(C)C)cc2[O-])CC1 ZINC000048385508 968538077 /nfs/dbraw/zinc/53/80/77/968538077.db2.gz DURXNCBRAHJGNQ-UHFFFAOYSA-N -1 3 409.530 3.529 20 0 HHADHM Cc1cccc(C[N-]S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)n1 ZINC000048440376 968553806 /nfs/dbraw/zinc/55/38/06/968553806.db2.gz IVNLIYRMIGZHCQ-UHFFFAOYSA-N -1 3 410.120 3.938 20 0 HHADHM COc1ccccc1S(=O)(=O)[N-]c1ccc(I)cc1Cl ZINC000048458491 968558885 /nfs/dbraw/zinc/55/88/85/968558885.db2.gz PMJYZWRJRKKHDB-UHFFFAOYSA-N -1 3 423.659 3.754 20 0 HHADHM Cc1cccc(C(=O)N(c2ccc([O-])cc2)S(=O)(=O)c2ccccc2)c1[N+](=O)[O-] ZINC000065666477 968580370 /nfs/dbraw/zinc/58/03/70/968580370.db2.gz HYJOEUZIHYGXQH-UHFFFAOYSA-N -1 3 412.423 3.645 20 0 HHADHM CCOC(=O)c1sc([C@H](C)[N-]S(=O)(=O)c2cccc(C)c2Cl)nc1C ZINC000538288350 1013823625 /nfs/dbraw/zinc/82/36/25/1013823625.db2.gz YHDWWWQNUKJCSJ-NSHDSACASA-N -1 3 402.925 3.630 20 0 HHADHM CCCCOc1ccc(C(=O)NCC(=O)Nc2ccc(Br)cc2[O-])cc1 ZINC000071956625 968908815 /nfs/dbraw/zinc/90/88/15/968908815.db2.gz VPIVHNCMXPHVCZ-UHFFFAOYSA-N -1 3 421.291 3.702 20 0 HHADHM O=C(NCCNC(=O)c1ccc([O-])cc1)c1ccc(-c2nc3ccccc3s2)s1 ZINC000071961833 968912208 /nfs/dbraw/zinc/91/22/08/968912208.db2.gz ZSFMJSBNKGXJFC-UHFFFAOYSA-N -1 3 423.519 3.890 20 0 HHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCc3ncccc3C)c2)cc1 ZINC000078512640 969002180 /nfs/dbraw/zinc/00/21/80/969002180.db2.gz WEJLJJNVHYPCFD-UHFFFAOYSA-N -1 3 409.511 3.738 20 0 HHADHM CC(C)C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2O)c(Cl)cc1Cl ZINC000096993951 969074579 /nfs/dbraw/zinc/07/45/79/969074579.db2.gz UDQPTHWFJDBNJP-UHFFFAOYSA-N -1 3 417.314 3.886 20 0 HHADHM CC(C)C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccsc2)c(Cl)cc1Cl ZINC000097298080 969119644 /nfs/dbraw/zinc/11/96/44/969119644.db2.gz JOXXVMFKRHRRSG-UHFFFAOYSA-N -1 3 421.371 3.919 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cccc4c3OCO4)cc2)cc1 ZINC000108217025 969365546 /nfs/dbraw/zinc/36/55/46/969365546.db2.gz KWSMDRVCMVUZCA-UHFFFAOYSA-N -1 3 410.451 3.777 20 0 HHADHM O=C(c1ccc(Sc2ccccn2)cc1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000109708903 969552645 /nfs/dbraw/zinc/55/26/45/969552645.db2.gz GOVLNXVMJNHAMR-UHFFFAOYSA-N -1 3 419.506 3.537 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3cccc(OCc4ccccn4)c3)nc2)n1 ZINC000111221933 969809032 /nfs/dbraw/zinc/80/90/32/969809032.db2.gz XTJIFOAILKOONC-UHFFFAOYSA-N -1 3 413.481 3.980 20 0 HHADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000116082587 969871242 /nfs/dbraw/zinc/87/12/42/969871242.db2.gz GZAPRWKWECLEPW-JOCHJYFZSA-N -1 3 417.509 3.884 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@H]1CCSc2c(F)cccc21 ZINC000116345360 969887257 /nfs/dbraw/zinc/88/72/57/969887257.db2.gz ISLXJCQTJWSSBK-SFHVURJKSA-N -1 3 424.501 3.565 20 0 HHADHM CCCCOc1ccc(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)c(C)c1 ZINC000116464333 969896937 /nfs/dbraw/zinc/89/69/37/969896937.db2.gz BRUDVVVZCBIHKE-UHFFFAOYSA-N -1 3 416.952 3.806 20 0 HHADHM CCN1CCN(c2ccc(Cl)cc2[N-]S(=O)(=O)c2ccc(F)cc2C)CC1 ZINC000218952594 970087728 /nfs/dbraw/zinc/08/77/28/970087728.db2.gz MCMOPBQZQSCAEP-UHFFFAOYSA-N -1 3 411.930 3.730 20 0 HHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000143949148 970215719 /nfs/dbraw/zinc/21/57/19/970215719.db2.gz RAWBPIRMWXUUFS-GFCCVEGCSA-N -1 3 406.467 3.591 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NNc2cccc(Cl)c2C)cc1OC ZINC000150190065 970432395 /nfs/dbraw/zinc/43/23/95/970432395.db2.gz WLWJXQOOJRLHLN-UHFFFAOYSA-N -1 3 412.899 3.567 20 0 HHADHM O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N1CC(C2CCCCC2)C1 ZINC000554644720 1013998678 /nfs/dbraw/zinc/99/86/78/1013998678.db2.gz ZITFGVFNVCDGLB-UHFFFAOYSA-N -1 3 419.374 3.701 20 0 HHADHM C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000252184307 970556191 /nfs/dbraw/zinc/55/61/91/970556191.db2.gz QODKOWYNLHYFNF-RVKKMQEKSA-N -1 3 421.969 3.780 20 0 HHADHM O=C(Nc1ccc2c(c1)nc1n2CCCCC1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000195618955 970561334 /nfs/dbraw/zinc/56/13/34/970561334.db2.gz CAEZXGWKIZSHMR-FQEVSTJZSA-N -1 3 418.497 3.712 20 0 HHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2cnn(CCF)c2)cc1 ZINC000554696782 1014017293 /nfs/dbraw/zinc/01/72/93/1014017293.db2.gz CISWEUZDVDBYOD-UHFFFAOYSA-N -1 3 416.478 3.523 20 0 HHADHM O=S(=O)([N-]Cc1nc(-c2ccc(Cl)cc2)no1)C1=Cc2ccccc2CC1 ZINC000261415022 970663544 /nfs/dbraw/zinc/66/35/44/970663544.db2.gz FISQKVWZBQNXFI-UHFFFAOYSA-N -1 3 401.875 3.797 20 0 HHADHM CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(Br)sc2C)c1 ZINC000316643805 972650962 /nfs/dbraw/zinc/65/09/62/972650962.db2.gz CLBUBCZTJHGKTJ-UHFFFAOYSA-N -1 3 423.741 3.633 20 0 HHADHM COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)c1 ZINC000322957581 972705938 /nfs/dbraw/zinc/70/59/38/972705938.db2.gz SZNRKJUJILRAQZ-UHFFFAOYSA-N -1 3 422.659 3.829 20 0 HHADHM COc1ccc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)cc1 ZINC000409791970 973267614 /nfs/dbraw/zinc/26/76/14/973267614.db2.gz BOSQGONVVFFCDC-MRXNPFEDSA-N -1 3 408.376 3.663 20 0 HHADHM O=S(=O)([N-][C@@H]1CCCC12CCOCC2)c1cccc(Cl)c1Br ZINC000409933481 973395277 /nfs/dbraw/zinc/39/52/77/973395277.db2.gz ZNOBXPLMNNZPJB-CYBMUJFWSA-N -1 3 408.745 3.730 20 0 HHADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(O[C@H]3CCN(C)C3=O)cc2C)cc1CC ZINC000410407424 974006408 /nfs/dbraw/zinc/00/64/08/974006408.db2.gz KXGQTFLUEIUPIJ-NRFANRHFSA-N -1 3 416.543 3.530 20 0 HHADHM Cc1cc(O[C@H]2CCN(C)C2=O)ccc1[N-]S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000410409243 974008322 /nfs/dbraw/zinc/00/83/22/974008322.db2.gz RIOZCVSIRROVOQ-FQEVSTJZSA-N -1 3 402.516 3.529 20 0 HHADHM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCN(C)C3=O)cc2C)cc1 ZINC000410409254 974008418 /nfs/dbraw/zinc/00/84/18/974008418.db2.gz WNTMIHBVQYUPFM-YCRPNKLZSA-N -1 3 416.543 3.919 20 0 HHADHM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(O[C@H]3CCN(C)C3=O)cc2C)cc1 ZINC000410409253 974008433 /nfs/dbraw/zinc/00/84/33/974008433.db2.gz WNTMIHBVQYUPFM-VFNWGFHPSA-N -1 3 416.543 3.919 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CCC[C@@H]2c2csc(C)n2)cc1OC ZINC000426104516 974228310 /nfs/dbraw/zinc/22/83/10/974228310.db2.gz YSHLLHLSQQXFGZ-MRXNPFEDSA-N -1 3 424.548 3.591 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C[C@@H](C)c2ccc(OC)cc2)cc1OC ZINC000426173955 974284087 /nfs/dbraw/zinc/28/40/87/974284087.db2.gz XAVAKELEBLQGGV-CQSZACIVSA-N -1 3 406.504 3.598 20 0 HHADHM CC(C)(C)OC(=O)[C@H]1CCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C1 ZINC000426181106 974292293 /nfs/dbraw/zinc/29/22/93/974292293.db2.gz WUDXROKUXGOOCI-LBPRGKRZSA-N -1 3 401.488 3.821 20 0 HHADHM COc1ccc(CNC[C@H](Cc2cccc(C)c2)C(=O)[O-])c(Br)c1O ZINC000426646651 974580869 /nfs/dbraw/zinc/58/08/69/974580869.db2.gz MHOMVQQUZCMQME-HNNXBMFYSA-N -1 3 408.292 3.505 20 0 HHADHM COc1ccc(C[NH2+]C[C@H](Cc2cccc(C)c2)C(=O)[O-])c(Br)c1[O-] ZINC000426646651 974580876 /nfs/dbraw/zinc/58/08/76/974580876.db2.gz MHOMVQQUZCMQME-HNNXBMFYSA-N -1 3 408.292 3.505 20 0 HHADHM O=C([O-])[C@@H](CNCc1cn(-c2ccc(F)cc2Cl)nn1)Cc1ccccc1Cl ZINC000426703669 974606299 /nfs/dbraw/zinc/60/62/99/974606299.db2.gz MWWANEKCVFIROI-CYBMUJFWSA-N -1 3 423.275 3.746 20 0 HHADHM O=C([O-])[C@H](CNCc1cn(-c2ccc(F)c(Cl)c2)nn1)Cc1cccc(Cl)c1 ZINC000426704156 974606853 /nfs/dbraw/zinc/60/68/53/974606853.db2.gz JEUWUPOSGSFQHE-ZDUSSCGKSA-N -1 3 423.275 3.746 20 0 HHADHM Cc1ccc([C@H](NCc2cc(Br)c3c(c2)OCCCO3)C(=O)[O-])cc1 ZINC000426708010 974608472 /nfs/dbraw/zinc/60/84/72/974608472.db2.gz FWLHMTUIMOKNET-KRWDZBQOSA-N -1 3 406.276 3.834 20 0 HHADHM COc1cc(-c2ccccc2)ccc1CN[C@@H](Cn1ccc(C(F)(F)F)n1)C(=O)[O-] ZINC000426752449 974635628 /nfs/dbraw/zinc/63/56/28/974635628.db2.gz ACUAMMAESMGODI-KRWDZBQOSA-N -1 3 419.403 3.821 20 0 HHADHM O=C([O-])[C@H](Cc1cn(-c2ccccc2)nn1)NCc1ccc(-c2ccccc2)cc1F ZINC000426760373 974639430 /nfs/dbraw/zinc/63/94/30/974639430.db2.gz QZRZCEQTJMCWEA-QHCPKHFHSA-N -1 3 416.456 3.859 20 0 HHADHM CCN(C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)[C@@H]1CCOC(C)(C)C1 ZINC000426761384 974640550 /nfs/dbraw/zinc/64/05/50/974640550.db2.gz ADNQZQHZZLJBIZ-GFCCVEGCSA-N -1 3 412.408 3.846 20 0 HHADHM COCCOc1cccc(CN[C@@H](CC(=O)[O-])c2cccc(Br)c2)c1 ZINC000426805778 974674221 /nfs/dbraw/zinc/67/42/21/974674221.db2.gz FPUKQBKNHNIUPP-SFHVURJKSA-N -1 3 408.292 3.780 20 0 HHADHM COc1ccc([C@H](CC(=O)[O-])NCc2cc(Br)cs2)cc1OC ZINC000426806999 974675078 /nfs/dbraw/zinc/67/50/78/974675078.db2.gz FLSGOZLUJVHWEY-ZDUSSCGKSA-N -1 3 400.294 3.833 20 0 HHADHM COc1ccc(CN[C@@H](CC(=O)[O-])c2ccc(OC)c(OC)c2)cc1Br ZINC000426806846 974675091 /nfs/dbraw/zinc/67/50/91/974675091.db2.gz LISBGWLVMPMZJY-HNNXBMFYSA-N -1 3 424.291 3.781 20 0 HHADHM COc1cc(CN[C@H](C(=O)[O-])c2cccc(F)c2)ccc1OCc1c(C)noc1C ZINC000426829222 974694807 /nfs/dbraw/zinc/69/48/07/974694807.db2.gz OHILNOIHFWOHTQ-NRFANRHFSA-N -1 3 414.433 3.934 20 0 HHADHM O=C(Cc1csc(-c2ccc(Cl)s2)n1)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000427079389 974884422 /nfs/dbraw/zinc/88/44/22/974884422.db2.gz BPUNZNMPAAKXEM-UHFFFAOYSA-N -1 3 416.919 3.810 20 0 HHADHM O=C(Cc1csc(-c2ccc(Cl)s2)n1)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000427079389 974884425 /nfs/dbraw/zinc/88/44/25/974884425.db2.gz BPUNZNMPAAKXEM-UHFFFAOYSA-N -1 3 416.919 3.810 20 0 HHADHM C[C@H]1Cc2ccccc2N1Cc1occc1C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000427087112 974891778 /nfs/dbraw/zinc/89/17/78/974891778.db2.gz MKOMKTRBXMLJCO-HNNXBMFYSA-N -1 3 414.469 3.587 20 0 HHADHM C[C@H]1Cc2ccccc2N1Cc1occc1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000427087112 974891783 /nfs/dbraw/zinc/89/17/83/974891783.db2.gz MKOMKTRBXMLJCO-HNNXBMFYSA-N -1 3 414.469 3.587 20 0 HHADHM COc1ccc(C(C)(C)C(=O)NCc2ccc([O-])c(Br)c2)cc1OC ZINC000427108463 974910180 /nfs/dbraw/zinc/91/01/80/974910180.db2.gz CUAJFISIDQWPLZ-UHFFFAOYSA-N -1 3 408.292 3.766 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C)cc1I ZINC000427130196 974927799 /nfs/dbraw/zinc/92/77/99/974927799.db2.gz FVVDTJYWBYSDMO-UHFFFAOYSA-N -1 3 405.232 3.848 20 0 HHADHM CC(=O)CCc1ccc(OCc2cccc(C(=O)Nc3c(C)[nH]c(=O)[n-]c3=O)c2)cc1 ZINC000427140707 974936123 /nfs/dbraw/zinc/93/61/23/974936123.db2.gz UMOFPZKAUGCAQF-UHFFFAOYSA-N -1 3 421.453 3.549 20 0 HHADHM CCOC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2cc(F)c(OC)cc2F)c1 ZINC000427271842 975017029 /nfs/dbraw/zinc/01/70/29/975017029.db2.gz BCGNSWSYMGIRNG-UHFFFAOYSA-N -1 3 405.806 3.604 20 0 HHADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2C)cc1 ZINC000427327146 975054365 /nfs/dbraw/zinc/05/43/65/975054365.db2.gz CBSBRIWHMPZJCY-UHFFFAOYSA-N -1 3 402.472 3.866 20 0 HHADHM O=C(c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000427361698 975078171 /nfs/dbraw/zinc/07/81/71/975078171.db2.gz GOTYDCWUMICCPL-CALCHBBNSA-N -1 3 402.491 3.889 20 0 HHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3CC4(CCC4)[C@@H]3C3CC3)cs2)c1 ZINC000427574499 975194129 /nfs/dbraw/zinc/19/41/29/975194129.db2.gz XJKNVZKUHPCTME-IBGZPJMESA-N -1 3 411.527 3.743 20 0 HHADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H]1CC[C@@H](C(=O)Nc2ccc(Cl)cc2O)O1 ZINC000427651398 975225127 /nfs/dbraw/zinc/22/51/27/975225127.db2.gz PQZFVHRQLNNKHS-HOTGVXAUSA-N -1 3 411.241 3.529 20 0 HHADHM COc1ccccc1[C@H]([N-]S(=O)(=O)c1cnc2ccsc2c1)c1ccco1 ZINC000427791110 975290553 /nfs/dbraw/zinc/29/05/53/975290553.db2.gz VMIYVDURAJGCSL-IBGZPJMESA-N -1 3 400.481 3.966 20 0 HHADHM COc1ccccc1-c1noc([C@H](C)[N-]S(=O)(=O)C[C@@H](C)c2ccccc2)n1 ZINC000427836730 975314655 /nfs/dbraw/zinc/31/46/55/975314655.db2.gz OZLKSGDZCXIWMW-CABCVRRESA-N -1 3 401.488 3.529 20 0 HHADHM CC(C)[C@@H]([N-]S(=O)(=O)C[C@@H](C)c1ccccc1)c1nc(-c2cccnc2)no1 ZINC000427846592 975318776 /nfs/dbraw/zinc/31/87/76/975318776.db2.gz AHSBGHYEYWNGEK-CRAIPNDOSA-N -1 3 400.504 3.552 20 0 HHADHM O=C(COc1ccccc1C(=O)NCc1ccc([O-])c(F)c1)Nc1ccccc1F ZINC000427963163 975368031 /nfs/dbraw/zinc/36/80/31/975368031.db2.gz WFAWBMMJCAQKEC-UHFFFAOYSA-N -1 3 412.392 3.618 20 0 HHADHM O=S(=O)([N-]C[C@@]1(CO)C[C@H]1c1ccc(F)cc1)c1cc(Cl)ccc1Cl ZINC000428409467 975729516 /nfs/dbraw/zinc/72/95/16/975729516.db2.gz VRDQNNIXTWHJNE-WMLDXEAASA-N -1 3 404.290 3.577 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CC4(C3)CCCC4)c2)cc1 ZINC000428441310 975752607 /nfs/dbraw/zinc/75/26/07/975752607.db2.gz VNDQKJKANUKVSF-UHFFFAOYSA-N -1 3 414.527 3.821 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)NC[C@@]3(CO)C[C@@H]3c3ccc(F)cc3)cc2)cc(=O)[n-]1 ZINC000428702015 975992981 /nfs/dbraw/zinc/99/29/81/975992981.db2.gz UNVANKSRDWZXKP-AUSIDOKSSA-N -1 3 422.460 3.584 20 0 HHADHM CCOc1nc(C(F)(F)F)ccc1C(=O)[N-]c1nnc(/C=C/c2ccco2)s1 ZINC000428814532 976093758 /nfs/dbraw/zinc/09/37/58/976093758.db2.gz SIJSFJLLJQHQPM-VMPITWQZSA-N -1 3 410.377 4.366 20 0 HHADHM CCN(C(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O)[C@H](C)Cc1ccsc1 ZINC000428858806 976148230 /nfs/dbraw/zinc/14/82/30/976148230.db2.gz FOWPCITXVDYJOG-OAHLLOKOSA-N -1 3 410.543 3.614 20 0 HHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cccc(Br)c3F)cc2)n1 ZINC000428922543 976223133 /nfs/dbraw/zinc/22/31/33/976223133.db2.gz MEZDHKVPBGYUDW-UHFFFAOYSA-N -1 3 402.223 3.899 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1ccnn1Cc1cccc2ccccc21 ZINC000429742107 977034388 /nfs/dbraw/zinc/03/43/88/977034388.db2.gz YJLOCNSHYLPHDI-UHFFFAOYSA-N -1 3 415.379 3.543 20 0 HHADHM CC(C)Cn1ncc(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)c1-c1ccccc1 ZINC000429815170 977088852 /nfs/dbraw/zinc/08/88/52/977088852.db2.gz ZMQRTGGMCDSEIS-UHFFFAOYSA-N -1 3 401.474 3.562 20 0 HHADHM CC(C)Cn1ncc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)c1-c1ccccc1 ZINC000429815170 977088862 /nfs/dbraw/zinc/08/88/62/977088862.db2.gz ZMQRTGGMCDSEIS-UHFFFAOYSA-N -1 3 401.474 3.562 20 0 HHADHM O=S(=O)([N-][C@@H]1CCCC[C@H]1n1cccn1)c1cc(Cl)ccc1Br ZINC000429860314 977131991 /nfs/dbraw/zinc/13/19/91/977131991.db2.gz LROWUZKCPARPIL-ZIAGYGMSSA-N -1 3 418.744 3.761 20 0 HHADHM COc1ccc(Br)c(CN(C)C(=O)c2cc(=O)c3ccccc3[n-]2)c1 ZINC000430204951 977390329 /nfs/dbraw/zinc/39/03/29/977390329.db2.gz SUQBFOIZLLLHRQ-UHFFFAOYSA-N -1 3 401.260 3.571 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H]3CC34CCCC4)ccc2C)cc1 ZINC000430216903 977397884 /nfs/dbraw/zinc/39/78/84/977397884.db2.gz GMUMPBJJJWHMEF-HXUWFJFHSA-N -1 3 414.527 3.867 20 0 HHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cn(-c2ccc(Cl)c(Cl)c2)cn1 ZINC000430547595 977625389 /nfs/dbraw/zinc/62/53/89/977625389.db2.gz FREZZEATBKTKAZ-UHFFFAOYSA-N -1 3 400.229 3.612 20 0 HHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cn(-c2ccc(Cl)c(Cl)c2)cn1 ZINC000430547595 977625391 /nfs/dbraw/zinc/62/53/91/977625391.db2.gz FREZZEATBKTKAZ-UHFFFAOYSA-N -1 3 400.229 3.612 20 0 HHADHM CC1(C)CC[C@@H](CNC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)O1 ZINC000430575377 977639659 /nfs/dbraw/zinc/63/96/59/977639659.db2.gz KNOGOIYYIUVJNU-JTQLQIEISA-N -1 3 413.699 3.631 20 0 HHADHM O=C([N-]c1n[nH]c(Cc2cccc(F)c2)n1)c1cc(Br)c(F)cc1F ZINC000430578010 977641532 /nfs/dbraw/zinc/64/15/32/977641532.db2.gz OOQBOZBFQQLSTQ-UHFFFAOYSA-N -1 3 411.181 3.828 20 0 HHADHM CCC(O)(CC)CCNC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430621427 977658015 /nfs/dbraw/zinc/65/80/15/977658015.db2.gz JQJNWKQEOVJJEC-UHFFFAOYSA-N -1 3 415.715 3.615 20 0 HHADHM C[C@H](C[C@H]1CCCO1)NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430646946 977665926 /nfs/dbraw/zinc/66/59/26/977665926.db2.gz FGBBOSADZAECIF-MWLCHTKSSA-N -1 3 413.699 3.631 20 0 HHADHM CCCC[C@@H](COC)NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430655391 977671179 /nfs/dbraw/zinc/67/11/79/977671179.db2.gz UNSFPGSDBRVBNM-NSHDSACASA-N -1 3 415.715 3.879 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3cncc(C)c3)c2)cc1 ZINC000430736376 977717620 /nfs/dbraw/zinc/71/76/20/977717620.db2.gz TWGCTQKQZAVRCF-UHFFFAOYSA-N -1 3 411.483 3.760 20 0 HHADHM CCn1ccnc1[C@H]1CCCCN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000430890898 977857149 /nfs/dbraw/zinc/85/71/49/977857149.db2.gz SZVWDLMLOWPBGX-OAHLLOKOSA-N -1 3 407.312 3.808 20 0 HHADHM COC(=O)c1cccc([N-]S(=O)(=O)c2cc(OC)c(OC)cc2Cl)c1Cl ZINC000431175257 978074968 /nfs/dbraw/zinc/07/49/68/978074968.db2.gz LZKKLDMMHGWTET-UHFFFAOYSA-N -1 3 420.270 3.598 20 0 HHADHM COC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2Br)c1Cl ZINC000431180302 978079244 /nfs/dbraw/zinc/07/92/44/978079244.db2.gz OWDXOFGCWNFTEC-UHFFFAOYSA-N -1 3 404.669 3.690 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]Cc2ccn(C3CCCC3)n2)sc1Br ZINC000431275189 978160612 /nfs/dbraw/zinc/16/06/12/978160612.db2.gz LHRVRDXOMHOLCC-UHFFFAOYSA-N -1 3 404.355 3.609 20 0 HHADHM C[C@@H](O)C[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1ccccc1 ZINC000431281808 978167373 /nfs/dbraw/zinc/16/73/73/978167373.db2.gz SGYGZDFRNBQGJP-OCCSQVGLSA-N -1 3 405.413 3.678 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccc3ccc(OC)cc3c2)cc1OC ZINC000431323223 978208553 /nfs/dbraw/zinc/20/85/53/978208553.db2.gz LNTWFKIKYNAVOJ-UHFFFAOYSA-N -1 3 414.483 3.871 20 0 HHADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)c1ncc(Br)cn1 ZINC000431613616 978385112 /nfs/dbraw/zinc/38/51/12/978385112.db2.gz HTWLGRLECSURBD-ZETCQYMHSA-N -1 3 411.108 3.585 20 0 HHADHM COc1ccccc1CSc1ccccc1[N-]C(=O)c1nc2nccc(C)n2n1 ZINC000432094316 978677604 /nfs/dbraw/zinc/67/76/04/978677604.db2.gz GGELOQNTIOQGTM-UHFFFAOYSA-N -1 3 405.483 3.986 20 0 HHADHM CCc1noc(-c2ccc(C)c([N-]S(=O)(=O)CCOc3ccc(F)cc3)c2)n1 ZINC000432196352 978709175 /nfs/dbraw/zinc/70/91/75/978709175.db2.gz ONXZNPQFHHERGG-UHFFFAOYSA-N -1 3 405.451 3.567 20 0 HHADHM Cc1nc([C@](C)([N-]S(=O)(=O)c2ccc(OCc3ccccc3)cc2)C2CC2)no1 ZINC000432258372 978731974 /nfs/dbraw/zinc/73/19/74/978731974.db2.gz NCYRXTMGAOKZIH-OAQYLSRUSA-N -1 3 413.499 3.561 20 0 HHADHM COCCCn1c(=O)[n-]nc1SCc1c(C)nn(Cc2ccc(Cl)cc2)c1C ZINC000432378743 978787073 /nfs/dbraw/zinc/78/70/73/978787073.db2.gz SWSAMKOPIKHGJK-UHFFFAOYSA-N -1 3 421.954 3.828 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CC2(CCCC2)c2cccc(F)c21 ZINC000432560015 978886872 /nfs/dbraw/zinc/88/68/72/978886872.db2.gz WLTBLCQKBFJLNE-UHFFFAOYSA-N -1 3 418.472 3.681 20 0 HHADHM CN1c2ccc([N-]S(=O)(=O)c3ccc(OCc4ccccc4)cc3)cc2CC1=O ZINC000432642083 978922389 /nfs/dbraw/zinc/92/23/89/978922389.db2.gz KXPKLJNEFRKCTC-UHFFFAOYSA-N -1 3 408.479 3.585 20 0 HHADHM COC(=O)c1cnc(SCc2csc(N(C(C)=O)c3ccc(C)cc3)n2)[n-]1 ZINC000432664812 978928812 /nfs/dbraw/zinc/92/88/12/978928812.db2.gz BLOQLXGRWUZDAZ-UHFFFAOYSA-N -1 3 402.501 3.938 20 0 HHADHM COC(=O)c1cnc(SCC(=O)Nc2ccc(N3CCc4ccccc43)cc2)[n-]1 ZINC000432670665 978930831 /nfs/dbraw/zinc/93/08/31/978930831.db2.gz OXIWTMYUGGGWRK-UHFFFAOYSA-N -1 3 408.483 3.621 20 0 HHADHM COc1ccc(Cl)c([N-]S(=O)(=O)c2cc(N(C)C)ccc2Br)c1 ZINC000432755112 978959951 /nfs/dbraw/zinc/95/99/51/978959951.db2.gz AIXCZBNJOSDDMN-UHFFFAOYSA-N -1 3 419.728 3.978 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(CC(=O)NC(C)C)cc2)cc1Cl ZINC000432769009 978967836 /nfs/dbraw/zinc/96/78/36/978967836.db2.gz ZFYUOEYOJLVAIC-UHFFFAOYSA-N -1 3 410.923 3.525 20 0 HHADHM Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1[N-]S(=O)(=O)c1ccc(N(C)C)cc1 ZINC000432772004 978969935 /nfs/dbraw/zinc/96/99/35/978969935.db2.gz OPMLTFVIXQGTGV-KRWDZBQOSA-N -1 3 415.559 3.876 20 0 HHADHM CCOC(=O)c1n[n-]c(C2CCN(c3nc4cc(Cl)cc(Cl)c4o3)CC2)n1 ZINC000432817695 978983804 /nfs/dbraw/zinc/98/38/04/978983804.db2.gz BMKWWACWUJPYAI-UHFFFAOYSA-N -1 3 410.261 3.813 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)Nc3ccc(Cl)cc3C)c2)[n-]1 ZINC000432901529 979005853 /nfs/dbraw/zinc/00/58/53/979005853.db2.gz ITJZSQBOJBJMGZ-UHFFFAOYSA-N -1 3 413.865 3.932 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)Nc3ccc(Cl)cc3C)c2)n[n-]1 ZINC000432901529 979005856 /nfs/dbraw/zinc/00/58/56/979005856.db2.gz ITJZSQBOJBJMGZ-UHFFFAOYSA-N -1 3 413.865 3.932 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)Nc3ccc(Cl)c(F)c3)c2)[n-]1 ZINC000433255075 979187836 /nfs/dbraw/zinc/18/78/36/979187836.db2.gz KLXAGHWWZAYHGP-UHFFFAOYSA-N -1 3 417.828 3.763 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)Nc3ccc(Cl)c(F)c3)c2)n[n-]1 ZINC000433255075 979187844 /nfs/dbraw/zinc/18/78/44/979187844.db2.gz KLXAGHWWZAYHGP-UHFFFAOYSA-N -1 3 417.828 3.763 20 0 HHADHM COCCOc1c(Cl)cccc1NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000433301385 979224440 /nfs/dbraw/zinc/22/44/40/979224440.db2.gz FZOLYFJSXJWYBZ-UHFFFAOYSA-N -1 3 404.825 3.907 20 0 HHADHM O=C([N-]c1cc(F)ccc1NC(=O)c1ccccn1)c1noc(-c2ccccc2)n1 ZINC000433304882 979225956 /nfs/dbraw/zinc/22/59/56/979225956.db2.gz OFWKFGDGWAFHMD-UHFFFAOYSA-N -1 3 403.373 3.775 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@H]1CC(C)(C)c2ccccc21 ZINC000433321679 979235649 /nfs/dbraw/zinc/23/56/49/979235649.db2.gz ODLXWLHOTPIJDE-FQEVSTJZSA-N -1 3 402.498 3.612 20 0 HHADHM O=S(=O)([N-]Cc1noc(-c2ccccc2F)n1)c1cc(C(F)(F)F)ccc1F ZINC000433449325 979312379 /nfs/dbraw/zinc/31/23/79/979312379.db2.gz ZKZWESUZDDNQRX-UHFFFAOYSA-N -1 3 419.331 3.512 20 0 HHADHM O=S(=O)([N-]Cc1noc(-c2ccccc2F)n1)c1c(Cl)cccc1Cl ZINC000433452132 979313246 /nfs/dbraw/zinc/31/32/46/979313246.db2.gz UHLYKPXPRNIGLJ-UHFFFAOYSA-N -1 3 402.234 3.661 20 0 HHADHM CCCCCN([C@H](C)CCC)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000433652615 979454472 /nfs/dbraw/zinc/45/44/72/979454472.db2.gz DPAHWQKSLCISGJ-CQSZACIVSA-N -1 3 408.561 3.567 20 0 HHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C[C@H](c2cccnc2)C(C)C)cc1Cl ZINC000433731215 979526752 /nfs/dbraw/zinc/52/67/52/979526752.db2.gz QBEUETWBZVMYSX-AWEZNQCLSA-N -1 3 413.902 3.551 20 0 HHADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)c1ccc(C(C)(C)C(F)(F)F)cc1 ZINC000433860264 979631131 /nfs/dbraw/zinc/63/11/31/979631131.db2.gz SQYPFFFZHSCIPC-UHFFFAOYSA-N -1 3 412.364 3.680 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(OCc3ccccc3C)c2)c(C)o1 ZINC000434071406 979812548 /nfs/dbraw/zinc/81/25/48/979812548.db2.gz MIIMJADJKCWVRP-UHFFFAOYSA-N -1 3 414.483 3.636 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)N(Cc2ccccc2)Cc2ccccc2C)c(C)o1 ZINC000434101667 979852243 /nfs/dbraw/zinc/85/22/43/979852243.db2.gz JZQKVKNKJUOQNG-UHFFFAOYSA-N -1 3 412.511 3.647 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H](C)c2ccc(Cl)c(Cl)c2)c(C)o1 ZINC000434221278 979990798 /nfs/dbraw/zinc/99/07/98/979990798.db2.gz VMMWNGUZFZICKG-SECBINFHSA-N -1 3 405.303 3.636 20 0 HHADHM CCC(C)(C)OCc1cccc(NC(=O)c2cc(S(=O)(=O)[N-]C)oc2C)c1C ZINC000434329494 980094089 /nfs/dbraw/zinc/09/40/89/980094089.db2.gz ZLKJMODPUVZABZ-UHFFFAOYSA-N -1 3 408.520 3.762 20 0 HHADHM O=S(=O)([N-]Cc1coc(-c2cccs2)n1)c1cc(F)ccc1Br ZINC000434953077 980527187 /nfs/dbraw/zinc/52/71/87/980527187.db2.gz YSFZUYRYGDRRCK-UHFFFAOYSA-N -1 3 417.281 3.783 20 0 HHADHM O=S(=O)([N-]Cc1ccc(Br)cc1)c1cc(F)ccc1Br ZINC000435215681 980727351 /nfs/dbraw/zinc/72/73/51/980727351.db2.gz WNLMWMIFCYPGIY-UHFFFAOYSA-N -1 3 423.101 3.829 20 0 HHADHM Cc1ccc(NC(=O)N(C)C)cc1[N-]S(=O)(=O)c1ccc(OC(C)C)c(C)c1 ZINC000435481723 980893401 /nfs/dbraw/zinc/89/34/01/980893401.db2.gz FJYVPNUVSQFZSK-UHFFFAOYSA-N -1 3 405.520 3.985 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@H]2C[C@H](c3ccccc3)C2)cc1OC ZINC000435730564 981006377 /nfs/dbraw/zinc/00/63/77/981006377.db2.gz FOPRLEFCWCVHLK-JCNLHEQBSA-N -1 3 403.504 3.525 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@@H]2C[C@H]2c2cccc(Cl)c2)cc1OC ZINC000435736381 981009779 /nfs/dbraw/zinc/00/97/79/981009779.db2.gz XBTBJMNVKXACLF-DOTOQJQBSA-N -1 3 423.922 3.788 20 0 HHADHM C[C@@H](SCc1nnc2n1CCOC2)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000435789328 981032322 /nfs/dbraw/zinc/03/23/22/981032322.db2.gz DMYJBZHUOKLXKV-SNVBAGLBSA-N -1 3 415.500 3.773 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CC(C)=C[C@@H](C)C3)ccc2C)cc1 ZINC000436006312 981149524 /nfs/dbraw/zinc/14/95/24/981149524.db2.gz JRKFDQDMHCCKDB-OAHLLOKOSA-N -1 3 414.527 3.843 20 0 HHADHM Cc1c(C(=O)[N-]c2nnc(/C=C/c3ccco3)s2)nnn1Cc1ccc(F)cc1 ZINC000436025692 981165078 /nfs/dbraw/zinc/16/50/78/981165078.db2.gz MZVOFIFMTDRUPM-CMDGGOBGSA-N -1 3 410.434 3.641 20 0 HHADHM COC(=O)c1sc2[n-]c(CN3CCC[C@H](Cc4ccccc4)C3)nc(=O)c2c1C ZINC000436128400 981211417 /nfs/dbraw/zinc/21/14/17/981211417.db2.gz GGMSJNAQISTBEN-MRXNPFEDSA-N -1 3 411.527 3.534 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3CC(F)(F)F)cc1C ZINC000436146478 981219572 /nfs/dbraw/zinc/21/95/72/981219572.db2.gz AWCWHYZVQLWDBD-UHFFFAOYSA-N -1 3 412.433 3.946 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC[C@@H]3C)ccc2C)cc1 ZINC000436183483 981239580 /nfs/dbraw/zinc/23/95/80/981239580.db2.gz AFQDVHQNXZJTJG-INIZCTEOSA-N -1 3 402.516 3.819 20 0 HHADHM Cc1cc(Br)cc(C)c1S(=O)(=O)[N-]c1ccc(OC2COC2)cc1 ZINC000436190160 981242660 /nfs/dbraw/zinc/24/26/60/981242660.db2.gz VTWGHHLXWKLALC-UHFFFAOYSA-N -1 3 412.305 3.644 20 0 HHADHM CC[C@@H](CC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(OC)cc1 ZINC000436483233 981396207 /nfs/dbraw/zinc/39/62/07/981396207.db2.gz KABZMTWSEBGRIZ-KRWDZBQOSA-N -1 3 410.514 3.706 20 0 HHADHM COc1ccccc1[C@@H]1CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CCN1 ZINC000436503561 981406012 /nfs/dbraw/zinc/40/60/12/981406012.db2.gz MNDKFVXQUFLKNY-QFIPXVFZSA-N -1 3 402.494 3.778 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NC[C@H](CO)CC1CCCC1 ZINC000436510047 981408858 /nfs/dbraw/zinc/40/88/58/981408858.db2.gz IKARQPCDVTXNSX-AUSIDOKSSA-N -1 3 424.541 3.558 20 0 HHADHM O=C(NC1CCC(c2ccccc2)CC1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436512913 981410514 /nfs/dbraw/zinc/41/05/14/981410514.db2.gz NVIVOZVWDACWKZ-UHFFFAOYSA-N -1 3 407.514 3.586 20 0 HHADHM Cc1cc(F)cc([C@@]2(F)CCN(C(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])C2)c1 ZINC000436515402 981411856 /nfs/dbraw/zinc/41/18/56/981411856.db2.gz QWUSMNPWULUILH-AUSIDOKSSA-N -1 3 414.452 3.542 20 0 HHADHM C[C@@H](Cc1ccc(Cl)cc1)C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436523152 981415838 /nfs/dbraw/zinc/41/58/38/981415838.db2.gz QDTJIHKSUIBBSB-HNNXBMFYSA-N -1 3 400.906 3.645 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCCCc1ccc(O)cc1 ZINC000436524114 981416570 /nfs/dbraw/zinc/41/65/70/981416570.db2.gz FRDGFJQUVCEHOQ-HSZRJFAPSA-N -1 3 418.493 3.708 20 0 HHADHM COc1ccc(C(=O)N[C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)c([O-])c1 ZINC000436524565 981417418 /nfs/dbraw/zinc/41/74/18/981417418.db2.gz JHQZRJBPJUMDJV-KRWDZBQOSA-N -1 3 422.403 3.513 20 0 HHADHM CCSCC[C@H](C)NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436526527 981419248 /nfs/dbraw/zinc/41/92/48/981419248.db2.gz JHQDYUWUEATWRI-JXFKEZNVSA-N -1 3 400.544 3.901 20 0 HHADHM CCSCC[C@@H](C)NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436526529 981419415 /nfs/dbraw/zinc/41/94/15/981419415.db2.gz JHQDYUWUEATWRI-OXQOHEQNSA-N -1 3 400.544 3.901 20 0 HHADHM CC(C)CC[C@](C)(O)CNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436526908 981419893 /nfs/dbraw/zinc/41/98/93/981419893.db2.gz JRBLZNFVRMRBKH-URXFXBBRSA-N -1 3 412.530 3.557 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NC1CCC(F)(F)CC1 ZINC000436533274 981425186 /nfs/dbraw/zinc/42/51/86/981425186.db2.gz IKZMSDZCFVTOPK-LJQANCHMSA-N -1 3 402.441 3.948 20 0 HHADHM O=C(Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436533498 981425338 /nfs/dbraw/zinc/42/53/38/981425338.db2.gz JMGXFNXAYWBEKJ-MRXNPFEDSA-N -1 3 416.433 3.642 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@@H](c1cccnc1)C1CC1 ZINC000436539415 981428827 /nfs/dbraw/zinc/42/88/27/981428827.db2.gz VYKKGYXTWCJULU-LADGPHEKSA-N -1 3 415.493 3.916 20 0 HHADHM O=C(NC1CCN(C(=O)c2ccncc2)CC1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436539351 981428836 /nfs/dbraw/zinc/42/88/36/981428836.db2.gz OEWDMFBJPRZKQV-UHFFFAOYSA-N -1 3 417.465 3.614 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@H](c1cccnc1)C1CC1 ZINC000436539419 981429686 /nfs/dbraw/zinc/42/96/86/981429686.db2.gz VYKKGYXTWCJULU-VWNXMTODSA-N -1 3 415.493 3.916 20 0 HHADHM CC(C)COc1ccccc1NC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436540404 981429762 /nfs/dbraw/zinc/42/97/62/981429762.db2.gz WYRMCKWWQMMBMP-UHFFFAOYSA-N -1 3 411.502 3.853 20 0 HHADHM C[C@@H]1CN(C[C@H]2CCCN2C(=O)c2cc(Oc3ccccc3)ccc2[O-])C[C@@H](C)O1 ZINC000436551492 981437262 /nfs/dbraw/zinc/43/72/62/981437262.db2.gz ZRELJHHWMWBCGW-GUDVDZBRSA-N -1 3 410.514 3.898 20 0 HHADHM O=C(Nc1ccnc(-c2ccccc2)c1)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436551666 981437313 /nfs/dbraw/zinc/43/73/13/981437313.db2.gz QMKGNJMIHZMUPX-UHFFFAOYSA-N -1 3 416.481 3.881 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@@H]1CCCC(F)(F)C1 ZINC000436555087 981440144 /nfs/dbraw/zinc/44/01/44/981440144.db2.gz IHBWUCUXZIMFKI-IEBWSBKVSA-N -1 3 402.441 3.948 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@H]1CCCC(F)(F)C1 ZINC000436555092 981440324 /nfs/dbraw/zinc/44/03/24/981440324.db2.gz IHBWUCUXZIMFKI-PKOBYXMFSA-N -1 3 402.441 3.948 20 0 HHADHM CC(C)CCn1ccc(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)n1 ZINC000436559062 981443431 /nfs/dbraw/zinc/44/34/31/981443431.db2.gz SDTSBRMMGAMORH-OAQYLSRUSA-N -1 3 420.513 4.135 20 0 HHADHM O=C(c1ccccc1F)N(CC(F)(F)F)C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436560223 981444081 /nfs/dbraw/zinc/44/40/81/981444081.db2.gz AIMVJEQAKHEJBA-UHFFFAOYSA-N -1 3 424.394 3.841 20 0 HHADHM CC(C)[C@@H]1C[C@@H](NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCO1 ZINC000436560996 981445382 /nfs/dbraw/zinc/44/53/82/981445382.db2.gz ALSSSTXEZPISOX-NNWRFLSQSA-N -1 3 410.514 3.573 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCC[C@H]1C1CCOCC1 ZINC000436563785 981446977 /nfs/dbraw/zinc/44/69/77/981446977.db2.gz QPEOWUJNQYJOGH-PKTZIBPZSA-N -1 3 422.525 3.671 20 0 HHADHM O=C(CC1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1)N1CCCC1 ZINC000436574049 981453540 /nfs/dbraw/zinc/45/35/40/981453540.db2.gz DTWNHKFWZRZNDV-UHFFFAOYSA-N -1 3 406.526 3.848 20 0 HHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000436575531 981454213 /nfs/dbraw/zinc/45/42/13/981454213.db2.gz IVGDCCANFHVKQJ-LJQANCHMSA-N -1 3 402.498 3.541 20 0 HHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCN(Cc2cccc(O)c2)CC1 ZINC000436577745 981455691 /nfs/dbraw/zinc/45/56/91/981455691.db2.gz PHGPDMNDVFYZNS-UHFFFAOYSA-N -1 3 404.466 3.848 20 0 HHADHM CS(=O)(=O)c1cccc([C@H](NC(=O)c2ccccc2[O-])c2ccc(Cl)cc2)c1 ZINC000436579259 981457332 /nfs/dbraw/zinc/45/73/32/981457332.db2.gz YUCYPAQSRURKCT-HXUWFJFHSA-N -1 3 415.898 3.969 20 0 HHADHM COC(=O)CCN(Cc1ccncc1)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436581515 981458837 /nfs/dbraw/zinc/45/88/37/981458837.db2.gz FXTDLPNDGLADNH-UHFFFAOYSA-N -1 3 418.493 3.778 20 0 HHADHM CN1CCc2ccc(NC(=O)c3cc(OCc4ccccc4)ccc3[O-])cc2C1=O ZINC000436587154 981461991 /nfs/dbraw/zinc/46/19/91/981461991.db2.gz VXUYQTLCUGRWIX-UHFFFAOYSA-N -1 3 402.450 3.852 20 0 HHADHM O=C(NCc1nc(-c2ccncc2)no1)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436592011 981464032 /nfs/dbraw/zinc/46/40/32/981464032.db2.gz ZAONCSIUFMZOKW-UHFFFAOYSA-N -1 3 400.438 3.552 20 0 HHADHM COCC[C@@H](NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1ccco1 ZINC000436594711 981464990 /nfs/dbraw/zinc/46/49/90/981464990.db2.gz ILSMXAYAOMNLKQ-NHCUHLMSSA-N -1 3 422.481 3.740 20 0 HHADHM Cc1nc(N2CCOCC2)ccc1NC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436597270 981466252 /nfs/dbraw/zinc/46/62/52/981466252.db2.gz UOKWHILLFPVGPS-UHFFFAOYSA-N 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ZINC000436622457 981479710 /nfs/dbraw/zinc/47/97/10/981479710.db2.gz DELUXUDDOGHHGX-HKUYNNGSSA-N -1 3 400.906 3.788 20 0 HHADHM O=C(c1ccc(O)cc1[O-])N1CCC[C@@H]1c1ccccc1I ZINC000436624591 981480968 /nfs/dbraw/zinc/48/09/68/981480968.db2.gz KCFILDMOSREYIA-OAHLLOKOSA-N -1 3 409.223 3.680 20 0 HHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)C1(c2ccc(F)cc2)CCCC1 ZINC000436632352 981484333 /nfs/dbraw/zinc/48/43/33/981484333.db2.gz DMTSWVQFOYHXFH-UHFFFAOYSA-N -1 3 410.489 3.764 20 0 HHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)C1(c2cccc(F)c2)CCCC1 ZINC000436633314 981484373 /nfs/dbraw/zinc/48/43/73/981484373.db2.gz KOMDVOOQQQAODG-UHFFFAOYSA-N -1 3 410.489 3.764 20 0 HHADHM COc1c(Cl)cc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1Cl ZINC000436633264 981484377 /nfs/dbraw/zinc/48/43/77/981484377.db2.gz AFBGFEWRMPIUPK-OAHLLOKOSA-N -1 3 409.269 3.951 20 0 HHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(Cl)c2ncccc12 ZINC000436636526 981486400 /nfs/dbraw/zinc/48/64/00/981486400.db2.gz VNBHHJWETOHGNG-UHFFFAOYSA-N -1 3 409.873 3.628 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)N[C@H](C)c2nc3ccccc3n2C(C)C)c([O-])c1 ZINC000436637732 981487627 /nfs/dbraw/zinc/48/76/27/981487627.db2.gz AZROUGWYPOEIIB-MRXNPFEDSA-N -1 3 408.502 3.629 20 0 HHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N(C)[C@@H](C)c3cccnc3)cs2)c1 ZINC000436637715 981487742 /nfs/dbraw/zinc/48/77/42/981487742.db2.gz AOZYRZVPMJEOFC-AWEZNQCLSA-N -1 3 410.499 3.567 20 0 HHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N(C)[C@H](C)c3cccnc3)cs2)c1 ZINC000436637716 981487813 /nfs/dbraw/zinc/48/78/13/981487813.db2.gz AOZYRZVPMJEOFC-CQSZACIVSA-N -1 3 410.499 3.567 20 0 HHADHM COc1c(Cl)cc(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1Cl ZINC000436657614 981495317 /nfs/dbraw/zinc/49/53/17/981495317.db2.gz JOVJWXBPYASFFX-UHFFFAOYSA-N -1 3 424.284 3.698 20 0 HHADHM COc1cc(CCC2CCN(C(=O)c3cc4c(cc3[O-])OCO4)CC2)cc(OC)c1 ZINC000436657445 981495470 /nfs/dbraw/zinc/49/54/70/981495470.db2.gz QHJBVOLQAUWWCQ-UHFFFAOYSA-N -1 3 413.470 3.623 20 0 HHADHM Cc1nc2ccccc2n1CCCCCN1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436660282 981496805 /nfs/dbraw/zinc/49/68/05/981496805.db2.gz SBTSAZSSCYEMQN-UHFFFAOYSA-N -1 3 406.530 3.679 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCC1(C(F)(F)F)CC1 ZINC000436660140 981496938 /nfs/dbraw/zinc/49/69/38/981496938.db2.gz BLELYSDDZQYIQY-KRWDZBQOSA-N -1 3 406.404 3.712 20 0 HHADHM Cc1nc(C)c([C@@H](C)N(C)C(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])s1 ZINC000436662471 981498334 /nfs/dbraw/zinc/49/83/34/981498334.db2.gz DALKLAPMIGXHAH-LLVKDONJSA-N -1 3 414.487 3.847 20 0 HHADHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000436666286 981500454 /nfs/dbraw/zinc/50/04/54/981500454.db2.gz QILKCHHDSCFLTK-RDJZCZTQSA-N -1 3 410.436 3.578 20 0 HHADHM COc1ccc(CC[C@H](C)NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])cc1 ZINC000436668917 981501238 /nfs/dbraw/zinc/50/12/38/981501238.db2.gz FPIJTUKBKIUBRH-AWEZNQCLSA-N -1 3 423.469 3.701 20 0 HHADHM CCS[C@@H]1CC[C@@H](N(C)C(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])C1 ZINC000436669510 981501971 /nfs/dbraw/zinc/50/19/71/981501971.db2.gz MLVOZXNWXRUFRQ-HUUCEWRRSA-N -1 3 403.504 3.687 20 0 HHADHM CC[C@@](C)(NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-])c1nc(C)cs1 ZINC000436670645 981502732 /nfs/dbraw/zinc/50/27/32/981502732.db2.gz RLHUHVIUVUYQNV-HXUWFJFHSA-N -1 3 414.487 3.761 20 0 HHADHM O=C(CCCc1cc(Cl)sc1Cl)NCCNC(=O)c1ccc([O-])cc1 ZINC000436677078 981506923 /nfs/dbraw/zinc/50/69/23/981506923.db2.gz AJWZHPDLJOZQFE-UHFFFAOYSA-N -1 3 401.315 3.629 20 0 HHADHM CCS[C@H]1CCCC[C@H]1NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000436678570 981507400 /nfs/dbraw/zinc/50/74/00/981507400.db2.gz CQMCLRYAWFSEAQ-AEFFLSMTSA-N -1 3 403.504 3.735 20 0 HHADHM Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436682502 981510189 /nfs/dbraw/zinc/51/01/89/981510189.db2.gz QJADZGZLHIMMFI-GMAHTHKFSA-N -1 3 422.525 3.589 20 0 HHADHM Cc1ccc(C(=O)NCCc2nc(-c3ccc(Oc4cccnc4)cc3)no2)c([O-])c1 ZINC000436690029 981513931 /nfs/dbraw/zinc/51/39/31/981513931.db2.gz PYQAEMHSVNYSSM-UHFFFAOYSA-N -1 3 416.437 3.910 20 0 HHADHM O=C(c1ccccc1[O-])N1CCN(Cc2ccc(-n3cnc4ccccc43)cc2)CC1 ZINC000436694540 981517366 /nfs/dbraw/zinc/51/73/66/981517366.db2.gz AHXUOOZDVSTUGE-UHFFFAOYSA-N -1 3 412.493 3.689 20 0 HHADHM Cc1nn(Cc2ccc(C)cc2)c(C)c1CN1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436695513 981518023 /nfs/dbraw/zinc/51/80/23/981518023.db2.gz LSWHCCCIGQENIK-UHFFFAOYSA-N -1 3 418.541 3.520 20 0 HHADHM Cc1nc(COc2ccc(CN3CCN(C(=O)c4ccccc4[O-])CC3)cc2)cs1 ZINC000436698316 981519407 /nfs/dbraw/zinc/51/94/07/981519407.db2.gz XRPWRVYFVLHEBG-UHFFFAOYSA-N -1 3 423.538 3.694 20 0 HHADHM Cc1cc(C)c(C(=O)CCCC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c(C)c1 ZINC000436703831 981521335 /nfs/dbraw/zinc/52/13/35/981521335.db2.gz JQPJHRXDUXWKBZ-UHFFFAOYSA-N -1 3 422.525 3.655 20 0 HHADHM O=C(N[C@@H](c1ccc(F)cc1)C1CCC1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436710339 981524158 /nfs/dbraw/zinc/52/41/58/981524158.db2.gz SHRZVXVCDODHTR-OAQYLSRUSA-N -1 3 411.477 3.540 20 0 HHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCc3c(Br)cccc3[C@@H]2C)c1 ZINC000436718274 981528887 /nfs/dbraw/zinc/52/88/87/981528887.db2.gz ZFFJXLHGDCSRFW-NSHDSACASA-N -1 3 403.276 3.873 20 0 HHADHM O=C(c1c([O-])cccc1O)N1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000436720259 981530088 /nfs/dbraw/zinc/53/00/88/981530088.db2.gz DBJULRPTHASNHY-UHFFFAOYSA-N -1 3 400.784 3.732 20 0 HHADHM CC(C)[C@@]1(CO)CCCN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000436732078 981536984 /nfs/dbraw/zinc/53/69/84/981536984.db2.gz CACADXCHJNWZBL-DHLKQENFSA-N -1 3 424.541 3.511 20 0 HHADHM Cc1cc(Cl)c(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1Cl ZINC000436740782 981539961 /nfs/dbraw/zinc/53/99/61/981539961.db2.gz RJQLVCYFEJJNMB-UHFFFAOYSA-N -1 3 408.285 3.997 20 0 HHADHM O=C(N[C@H]1CCCOc2c(Cl)cccc21)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436740119 981540062 /nfs/dbraw/zinc/54/00/62/981540062.db2.gz PSJJAAOUYMHEKW-ROUUACIJSA-N -1 3 414.889 3.680 20 0 HHADHM O=C(N[C@H]1CCCOc2cc(Cl)ccc21)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436742403 981541353 /nfs/dbraw/zinc/54/13/53/981541353.db2.gz VKMYGQQNNRNYNC-ZWKOTPCHSA-N -1 3 414.889 3.680 20 0 HHADHM CCN(CC)CC(=O)Nc1cccc(NC(=O)c2cc(Cl)c([O-])c(OC)c2)c1 ZINC000436742426 981541411 /nfs/dbraw/zinc/54/14/11/981541411.db2.gz WGRINAYDMDKLGW-UHFFFAOYSA-N -1 3 405.882 3.587 20 0 HHADHM CC(C)[C@@H](NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccccc1Cl ZINC000436743844 981541436 /nfs/dbraw/zinc/54/14/36/981541436.db2.gz YTUZYXACYYEWCX-HXUWFJFHSA-N -1 3 415.921 3.910 20 0 HHADHM CN(C)c1noc([C@@H]2CCCN(C(=O)c3cc(Oc4ccccc4)ccc3[O-])C2)n1 ZINC000436744727 981542028 /nfs/dbraw/zinc/54/20/28/981542028.db2.gz PEOZQKVOZJEYDB-OAHLLOKOSA-N -1 3 408.458 3.653 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc(Cl)cc2OCC(F)F)c([O-])c1 ZINC000436746797 981542762 /nfs/dbraw/zinc/54/27/62/981542762.db2.gz IAQQYSYTQFBPPB-UHFFFAOYSA-N -1 3 412.820 3.757 20 0 HHADHM CCN1CCN(C(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2[O-])CC1 ZINC000436748643 981543953 /nfs/dbraw/zinc/54/39/53/981543953.db2.gz UDAYCXOAQLXHFQ-UHFFFAOYSA-N -1 3 422.312 3.729 20 0 HHADHM COc1ccccc1NC(=O)c1cc(CN2C(=O)c3ccccc3C2=O)cc(C)c1[O-] ZINC000436758831 981549201 /nfs/dbraw/zinc/54/92/01/981549201.db2.gz ZSBGDQPYOQLCTE-UHFFFAOYSA-N -1 3 416.433 3.758 20 0 HHADHM O=C(NC1CCN(C(=O)c2ccoc2)CC1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436758334 981549270 /nfs/dbraw/zinc/54/92/70/981549270.db2.gz WYFXCLQWVKODCK-UHFFFAOYSA-N -1 3 406.438 3.812 20 0 HHADHM Cc1cc(O[C@H](C)C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)ccc1C(C)C ZINC000436768885 981553920 /nfs/dbraw/zinc/55/39/20/981553920.db2.gz JSYKRQXECMWZPH-GOSISDBHSA-N -1 3 410.514 3.576 20 0 HHADHM Cc1noc([C@@H](NC(=O)c2cc(Oc3ccccc3)ccc2[O-])C2CCOCC2)n1 ZINC000436771991 981555099 /nfs/dbraw/zinc/55/50/99/981555099.db2.gz YUOPXGNSGJLSQS-FQEVSTJZSA-N -1 3 409.442 3.774 20 0 HHADHM CCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)c2cc(NC(C)=O)ccc2[O-])cc1 ZINC000436782310 981559479 /nfs/dbraw/zinc/55/94/79/981559479.db2.gz NJFBUZHKXWVBAK-CQSZACIVSA-N -1 3 412.490 3.715 20 0 HHADHM CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000436800408 981568223 /nfs/dbraw/zinc/56/82/23/981568223.db2.gz VGSNCTKLJWZSTI-BBATYDOGSA-N -1 3 421.291 3.619 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCCc2c(C)oc3ccccc32)c1 ZINC000436805804 981569820 /nfs/dbraw/zinc/56/98/20/981569820.db2.gz SWOBBZFUMBNXLI-UHFFFAOYSA-N -1 3 419.437 3.968 20 0 HHADHM Cn1nc([C@@H]2CCCOC2)cc1NC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436807554 981570698 /nfs/dbraw/zinc/57/06/98/981570698.db2.gz ITMISLJNEWMLRI-QGZVFWFLSA-N -1 3 407.470 3.851 20 0 HHADHM COCCN(Cc1ccc(Br)s1)C(=O)c1ccc(OC)cc1[O-] ZINC000436814157 981573427 /nfs/dbraw/zinc/57/34/27/981573427.db2.gz HDIYAXGEUJTNHB-UHFFFAOYSA-N -1 3 400.294 3.514 20 0 HHADHM CCc1ccc(C(=O)N2CCN(C(=O)Nc3ccc(C)c(Cl)c3)CC2)c([O-])c1 ZINC000436819997 981575843 /nfs/dbraw/zinc/57/58/43/981575843.db2.gz PFAWGBMTWPGXCU-UHFFFAOYSA-N -1 3 401.894 3.906 20 0 HHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3CC4(CCC4)[C@H]3C(C)C)cs2)c1 ZINC000436825424 981577839 /nfs/dbraw/zinc/57/78/39/981577839.db2.gz GQBFRTODSKFATM-LJQANCHMSA-N -1 3 413.543 3.989 20 0 HHADHM O=C(Nc1nc(Cc2ccccc2)cs1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436830028 981580260 /nfs/dbraw/zinc/58/02/60/981580260.db2.gz UJSCNIYMADUECL-SFHVURJKSA-N -1 3 407.495 3.683 20 0 HHADHM CCc1ccc(C(=O)N[C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)c([O-])c1 ZINC000436829931 981580523 /nfs/dbraw/zinc/58/05/23/981580523.db2.gz BUYJIEALGZNZDP-JOCHJYFZSA-N -1 3 409.507 3.878 20 0 HHADHM CCC1(CC)CN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CCS1(=O)=O ZINC000436835042 981582335 /nfs/dbraw/zinc/58/23/35/981582335.db2.gz SRFDNDBMVRXDMG-UHFFFAOYSA-N -1 3 415.555 3.607 20 0 HHADHM COc1ccc2oc([C@H](C)NC(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])c(C)c2c1 ZINC000436836806 981583444 /nfs/dbraw/zinc/58/34/44/981583444.db2.gz NDEQOGAIUYROQJ-KXBFYZLASA-N -1 3 422.481 3.937 20 0 HHADHM CCc1ccc(C(=O)N(CCn2ccnc2)Cc2ccc(Br)o2)c([O-])c1 ZINC000436843626 981586338 /nfs/dbraw/zinc/58/63/38/981586338.db2.gz JHSROOMWXCPJJF-UHFFFAOYSA-N -1 3 418.291 3.849 20 0 HHADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)C2(c3cccc(Cl)c3)CCCC2)CC1 ZINC000436868174 981597434 /nfs/dbraw/zinc/59/74/34/981597434.db2.gz HDFBQQMEBXLWGM-UHFFFAOYSA-N -1 3 412.917 3.842 20 0 HHADHM CCC(=O)[C@@H]1CCCCN1C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436893153 981603767 /nfs/dbraw/zinc/60/37/67/981603767.db2.gz ODCPJHAARALINJ-SFTDATJTSA-N -1 3 408.498 3.614 20 0 HHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000436896207 981605127 /nfs/dbraw/zinc/60/51/27/981605127.db2.gz MDVHATWYKCOYHP-XLIONFOSSA-N -1 3 407.432 3.953 20 0 HHADHM Cc1csc(-c2cccc(C(=O)NC3CCN(C(=O)c4ccccc4[O-])CC3)c2)n1 ZINC000436904645 981609953 /nfs/dbraw/zinc/60/99/53/981609953.db2.gz XWRCXWATQFBMNX-UHFFFAOYSA-N -1 3 421.522 3.859 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCCOC1CCCCC1 ZINC000436905888 981611831 /nfs/dbraw/zinc/61/18/31/981611831.db2.gz BNYVIRBZOMTNPK-QFIPXVFZSA-N -1 3 410.514 3.719 20 0 HHADHM Cc1c(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])cccc1N1C(=O)CNC1=O ZINC000436920335 981624340 /nfs/dbraw/zinc/62/43/40/981624340.db2.gz GVMRJTIHYKHJFG-UHFFFAOYSA-N -1 3 415.449 3.600 20 0 HHADHM COC[C@@H](NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1ccccc1 ZINC000436920571 981624411 /nfs/dbraw/zinc/62/44/11/981624411.db2.gz HDAXRPLQMJRPKX-XZOQPEGZSA-N -1 3 418.493 3.757 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCCC[C@H]1c1ncc[nH]1 ZINC000436922201 981626121 /nfs/dbraw/zinc/62/61/21/981626121.db2.gz MAOCPBJVVBHXES-SFTDATJTSA-N -1 3 418.497 3.730 20 0 HHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1c(Cl)cc(F)cc1Cl ZINC000436927322 981628472 /nfs/dbraw/zinc/62/84/72/981628472.db2.gz OTIIMTBKOCPZKK-UHFFFAOYSA-N -1 3 411.260 3.873 20 0 HHADHM CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)c3cc(CCc4ccccc4)ccc3[O-])[C@H]2C1 ZINC000436931411 981631051 /nfs/dbraw/zinc/63/10/51/981631051.db2.gz BWMJGQSWRGPKLV-ACIOBRDBSA-N -1 3 406.526 3.554 20 0 HHADHM CCN(CC)[C@H](CNC(=O)C(=O)c1ccc([O-])cc1)c1ccc(C(F)(F)F)cc1 ZINC000436934786 981632406 /nfs/dbraw/zinc/63/24/06/981632406.db2.gz IAWZRLSEMVAEJK-GOSISDBHSA-N -1 3 408.420 3.793 20 0 HHADHM O=C(CSc1ccccc1Cl)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436942233 981636335 /nfs/dbraw/zinc/63/63/35/981636335.db2.gz GBUSHKAYSPCQCW-UHFFFAOYSA-N -1 3 404.919 3.559 20 0 HHADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2c(-c3ccccc3)nc3ccccn32)CC1 ZINC000436949531 981639877 /nfs/dbraw/zinc/63/98/77/981639877.db2.gz KUNFAZFLKAOWLR-UHFFFAOYSA-N -1 3 412.493 3.665 20 0 HHADHM C[C@@H](c1nc2ccccc2n1C(F)F)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436949140 981640016 /nfs/dbraw/zinc/64/00/16/981640016.db2.gz LQYLGUVKOZOTHJ-AWEZNQCLSA-N -1 3 400.429 3.656 20 0 HHADHM COCC1(CCNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCC1 ZINC000436963870 981651087 /nfs/dbraw/zinc/65/10/87/981651087.db2.gz DMVZBQQNGXRAMB-NRFANRHFSA-N -1 3 410.514 3.576 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCC(C)(C)c2ccc(C)cc2)c1 ZINC000436966507 981652878 /nfs/dbraw/zinc/65/28/78/981652878.db2.gz WPNXUTOMOCTALG-UHFFFAOYSA-N -1 3 407.470 3.957 20 0 HHADHM O=C(Nc1nc2c(ccc(F)c2F)s1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436968236 981654436 /nfs/dbraw/zinc/65/44/36/981654436.db2.gz ZGSGEYTVQJVPOH-LBPRGKRZSA-N -1 3 403.410 3.523 20 0 HHADHM COc1ccc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cc1O ZINC000436969306 981655481 /nfs/dbraw/zinc/65/54/81/981655481.db2.gz YWSAKXNFJGOZAE-IBGZPJMESA-N -1 3 406.438 3.606 20 0 HHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCN(C(C)C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000436973520 981658633 /nfs/dbraw/zinc/65/86/33/981658633.db2.gz XZYVZRLQMLZCFA-TZIWHRDSSA-N -1 3 417.456 3.583 20 0 HHADHM CCCCOc1ccc(C(=O)N2CCC(C(=O)NC3CCCCC3)CC2)c([O-])c1 ZINC000436975767 981660286 /nfs/dbraw/zinc/66/02/86/981660286.db2.gz MPXUZMQBQXHIHG-UHFFFAOYSA-N -1 3 402.535 3.872 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H](c3ccccc3)[C@@H]2C)c1 ZINC000436975809 981660538 /nfs/dbraw/zinc/66/05/38/981660538.db2.gz NEMFGIDBSVLKIK-KBXCAEBGSA-N -1 3 405.454 3.959 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H](c3ccccc3)[C@H]2C)c1 ZINC000436975812 981660989 /nfs/dbraw/zinc/66/09/89/981660989.db2.gz NEMFGIDBSVLKIK-RDTXWAMCSA-N -1 3 405.454 3.959 20 0 HHADHM Cc1csc([C@H](C)NC(=O)Cc2csc(NC(=O)c3cc(C)ccc3[O-])n2)n1 ZINC000436978609 981662709 /nfs/dbraw/zinc/66/27/09/981662709.db2.gz IOEZWAVBCFKUIG-LBPRGKRZSA-N -1 3 416.528 3.594 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCCC[C@H]1CCCCO1 ZINC000436984132 981666968 /nfs/dbraw/zinc/66/69/68/981666968.db2.gz YSVVMSIAZBJINI-YADHBBJMSA-N -1 3 410.514 3.719 20 0 HHADHM CC(C)Oc1c(Cl)cccc1NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000437004427 981680584 /nfs/dbraw/zinc/68/05/84/981680584.db2.gz QPOGJQTYFKSVBD-UHFFFAOYSA-N -1 3 417.893 3.823 20 0 HHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NC[C@@H]3C[C@H]3c3ccccc3)cs2)c1 ZINC000448545688 981874560 /nfs/dbraw/zinc/87/45/60/981874560.db2.gz JLFSBWQULUOCMK-WMZOPIPTSA-N -1 3 421.522 3.872 20 0 HHADHM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2c(F)cccc2N2CCCC2)c1 ZINC000437404710 982048916 /nfs/dbraw/zinc/04/89/16/982048916.db2.gz NSCHGCASSFZVAJ-UHFFFAOYSA-N -1 3 412.870 3.667 20 0 HHADHM Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)o1 ZINC000437463108 982094644 /nfs/dbraw/zinc/09/46/44/982094644.db2.gz QOIDYTNJAMAJDM-MGPUTAFESA-N -1 3 420.513 3.974 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cc3c(cc2F)CCC(=O)N3)c(Cl)c1Cl ZINC000460419122 982205980 /nfs/dbraw/zinc/20/59/80/982205980.db2.gz KSMMPUKXGJSCBZ-UHFFFAOYSA-N -1 3 419.261 3.827 20 0 HHADHM COc1cc(OC)c(S(=O)(=O)[N-]c2ccsc2Cl)cc1Br ZINC000437661271 982277353 /nfs/dbraw/zinc/27/73/53/982277353.db2.gz XFQOTJGQNRTEOS-UHFFFAOYSA-N -1 3 412.714 3.982 20 0 HHADHM O=S(=O)([N-]Cc1nc(-c2cccc(Cl)c2F)no1)c1ccc(Cl)s1 ZINC000460520897 982307922 /nfs/dbraw/zinc/30/79/22/982307922.db2.gz QVELZRKGNZZWIV-UHFFFAOYSA-N -1 3 408.263 3.723 20 0 HHADHM COc1ccc([C@H](Cc2ccccc2)NC(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000460831166 982581569 /nfs/dbraw/zinc/58/15/69/982581569.db2.gz VDQGCSHTRWXGCR-INIZCTEOSA-N -1 3 419.407 3.615 20 0 HHADHM CCc1ncc(S(=O)(=O)[N-]C(c2cccc(OC)c2)c2cccc(OC)c2)s1 ZINC000460922993 982660868 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LBMSRLQXOAUHAW-BGYRXZFFSA-N -1 3 414.527 3.532 20 0 HHADHM O=C(NCc1ccc(Oc2ccccc2F)c(F)c1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000461185594 982903808 /nfs/dbraw/zinc/90/38/08/982903808.db2.gz DFPIVZQXGWCDRM-UHFFFAOYSA-N -1 3 408.360 3.571 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC000461194991 982911311 /nfs/dbraw/zinc/91/13/11/982911311.db2.gz NFMXTQVTRDCVFK-UWJYYQICSA-N -1 3 416.525 3.725 20 0 HHADHM CCc1ccnc(CNC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)c1 ZINC000438574777 982912781 /nfs/dbraw/zinc/91/27/81/982912781.db2.gz WJNOIYVVOVRDNA-UHFFFAOYSA-N -1 3 420.694 3.831 20 0 HHADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(-n3cnc(C)c3C)cc2)cc1Cl ZINC000461210657 982924042 /nfs/dbraw/zinc/92/40/42/982924042.db2.gz HNLKYWAULFDWCB-UHFFFAOYSA-N -1 3 418.906 3.902 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000438683646 982999103 /nfs/dbraw/zinc/99/91/03/982999103.db2.gz VYBHJLRKRLFAQG-FPOVZHCZSA-N -1 3 416.525 3.601 20 0 HHADHM O=C(N[C@@H]1CC[C@H]2CCC[C@@H]2C1)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000461344436 983030294 /nfs/dbraw/zinc/03/02/94/983030294.db2.gz WTHDYSFGSJFGCC-RBSFLKMASA-N -1 3 405.495 3.653 20 0 HHADHM COc1ccc(OCCS(=O)(=O)[N-]c2c(F)cc(Br)cc2F)cc1 ZINC000438773415 983062037 /nfs/dbraw/zinc/06/20/37/983062037.db2.gz MKRDBXPUWQDMRS-UHFFFAOYSA-N -1 3 422.247 3.557 20 0 HHADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncccn1 ZINC000461457506 983124233 /nfs/dbraw/zinc/12/42/33/983124233.db2.gz UNPLGUGADLLPSG-RCBQFDQVSA-N -1 3 417.307 3.721 20 0 HHADHM CCOC(=O)c1sc2[n-]c(Cn3c4ccccc4nc3C(C)C)nc(=O)c2c1C ZINC000438874987 983135176 /nfs/dbraw/zinc/13/51/76/983135176.db2.gz HYEISWUDQLPYHT-UHFFFAOYSA-N -1 3 410.499 3.991 20 0 HHADHM CC(C)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000439019473 983213630 /nfs/dbraw/zinc/21/36/30/983213630.db2.gz KRHSHHSTAGGQOU-GOSISDBHSA-N -1 3 420.517 3.557 20 0 HHADHM O=C(Nc1cccc(Oc2ccccn2)c1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000439053974 983229829 /nfs/dbraw/zinc/22/98/29/983229829.db2.gz GEDXPSPVXNHSKM-LJQANCHMSA-N -1 3 403.438 3.823 20 0 HHADHM CC[C@H](C)Oc1cc(C)ccc1CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000439057365 983230958 /nfs/dbraw/zinc/23/09/58/983230958.db2.gz KKCUMXCNNMVEBR-FXAWDEMLSA-N -1 3 410.514 3.799 20 0 HHADHM Cn1c(=O)n(C)c2cc(NC(=O)c3csc(-c4ccccc4Cl)n3)c([O-])cc21 ZINC000461607277 983235181 /nfs/dbraw/zinc/23/51/81/983235181.db2.gz IRFLQJIZAPUIDG-UHFFFAOYSA-N -1 3 414.874 3.612 20 0 HHADHM C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000461608289 983236299 /nfs/dbraw/zinc/23/62/99/983236299.db2.gz LQZQKXYSAFGJHB-HNNXBMFYSA-N -1 3 417.465 3.656 20 0 HHADHM Cn1c2cc([O-])c(NC(=O)[C@@H]3C[C@@H]3c3cccc(Cl)c3Cl)cc2n(C)c1=O ZINC000461612912 983238954 /nfs/dbraw/zinc/23/89/54/983238954.db2.gz YPALSHDJNHSQSS-GHMZBOCLSA-N -1 3 406.269 3.632 20 0 HHADHM Cn1c2cc([O-])c(NC(=O)C[C@@H](Cc3ccccc3)c3ccccc3)cc2n(C)c1=O ZINC000461612542 983238970 /nfs/dbraw/zinc/23/89/70/983238970.db2.gz INLFWRRHJFDAIM-LJQANCHMSA-N -1 3 415.493 3.938 20 0 HHADHM Cn1c2cc([O-])c(NC(=O)[C@H]3C[C@H]3c3ccc(Cl)c(Cl)c3)cc2n(C)c1=O ZINC000461615430 983240855 /nfs/dbraw/zinc/24/08/55/983240855.db2.gz ARTHNEYTWKQLEL-QWRGUYRKSA-N -1 3 406.269 3.632 20 0 HHADHM Cc1nc(-c2ccc(C)cc2C)sc1C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000461618366 983242613 /nfs/dbraw/zinc/24/26/13/983242613.db2.gz JAGSRZOPKMZXIH-UHFFFAOYSA-N -1 3 422.510 3.884 20 0 HHADHM O=S(=O)([N-]Cc1nc(-c2cccs2)c[nH]1)c1ccc(F)cc1C(F)(F)F ZINC000439190645 983301017 /nfs/dbraw/zinc/30/10/17/983301017.db2.gz KIWNSOWIKQTNSZ-UHFFFAOYSA-N -1 3 405.398 3.775 20 0 HHADHM CCSc1ccc(Cl)cc1[N-]C(=O)c1cc(S(=O)(=O)N(C)C)oc1C ZINC000439744934 983523216 /nfs/dbraw/zinc/52/32/16/983523216.db2.gz LVOKWDLFPBMSMM-UHFFFAOYSA-N -1 3 402.925 3.856 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)Nc3ccc(F)c(C4CC4)c3)c2)[n-]1 ZINC000439800499 983543752 /nfs/dbraw/zinc/54/37/52/983543752.db2.gz KMVQJHJSRWGWDU-UHFFFAOYSA-N -1 3 423.448 3.987 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)Nc3ccc(F)c(C4CC4)c3)c2)n[n-]1 ZINC000439800499 983543755 /nfs/dbraw/zinc/54/37/55/983543755.db2.gz KMVQJHJSRWGWDU-UHFFFAOYSA-N -1 3 423.448 3.987 20 0 HHADHM C[C@H](c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)cc1)N1CCOCC1 ZINC000439876439 983565549 /nfs/dbraw/zinc/56/55/49/983565549.db2.gz HDNFDUGXPUZHAE-MRXNPFEDSA-N -1 3 416.543 3.594 20 0 HHADHM CC1(C)Cc2cc(S(=O)(=O)[N-]c3ccc(OC[C@@H]4CCCO4)cc3)ccc2O1 ZINC000440296855 983710380 /nfs/dbraw/zinc/71/03/80/983710380.db2.gz UTYFHXNUWRAVTE-SFHVURJKSA-N -1 3 403.500 3.759 20 0 HHADHM Cc1nc(CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)sc1C ZINC000440546770 983792089 /nfs/dbraw/zinc/79/20/89/983792089.db2.gz NZUAWZOWRJKYDU-UHFFFAOYSA-N -1 3 419.503 3.630 20 0 HHADHM CC(C)Sc1c(Cl)cccc1[N-]C(=O)c1ccc(CNS(C)(=O)=O)o1 ZINC000440548330 983792670 /nfs/dbraw/zinc/79/26/70/983792670.db2.gz DLHSOZITBWZLCX-UHFFFAOYSA-N -1 3 402.925 3.735 20 0 HHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cn4cc(Cl)cc(Cl)c4n3)cc2)n1 ZINC000440689718 983854180 /nfs/dbraw/zinc/85/41/80/983854180.db2.gz GJNYNBSAABUHEM-UHFFFAOYSA-N -1 3 414.252 3.952 20 0 HHADHM O=c1[n-]nc(SCc2cn(-c3ccc(Cl)cc3)nn2)n1CCc1ccccc1 ZINC000440770016 983898413 /nfs/dbraw/zinc/89/84/13/983898413.db2.gz GYAJODVBULHJFA-UHFFFAOYSA-N -1 3 412.906 3.753 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)NCc3ccncc3OCC(F)F)cc2)cc(=O)[n-]1 ZINC000440929915 983984318 /nfs/dbraw/zinc/98/43/18/983984318.db2.gz GBXPBPIGIHEPFN-UHFFFAOYSA-N -1 3 415.400 3.518 20 0 HHADHM Cn1c2cc([O-])c(NC(=O)[C@@H]3C[C@@H]3c3cc(Cl)cc(Cl)c3)cc2n(C)c1=O ZINC000461631586 984652077 /nfs/dbraw/zinc/65/20/77/984652077.db2.gz MIXJTGFTCPXUJO-CHWSQXEVSA-N -1 3 406.269 3.632 20 0 HHADHM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(F)c3F)cc2C[C@@H]1C ZINC000442248163 984769969 /nfs/dbraw/zinc/76/99/69/984769969.db2.gz GHOKALYVYXNXSZ-VIFPVBQESA-N -1 3 400.834 3.717 20 0 HHADHM CCOCC1(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccc(OC)cc3)c2)CC1 ZINC000442404593 984911702 /nfs/dbraw/zinc/91/17/02/984911702.db2.gz CMXROHAOSBAHPT-UHFFFAOYSA-N -1 3 418.515 3.560 20 0 HHADHM O=S(=O)(CC12CCC(CC1)C2)[N-]C1(c2noc([C@@H]3CCOC3)n2)CCCCCC1 ZINC000462113496 985083584 /nfs/dbraw/zinc/08/35/84/985083584.db2.gz XBOBUORTACTLDE-OHTSDLOESA-N -1 3 423.579 3.623 20 0 HHADHM CO[C@](C)(C[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F)C1CC1 ZINC000462121826 985092267 /nfs/dbraw/zinc/09/22/67/985092267.db2.gz ZZBGXDLQRVIGGP-CYBMUJFWSA-N -1 3 416.259 3.561 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](C)CC2CC2)c(Br)c1 ZINC000462149713 985122135 /nfs/dbraw/zinc/12/21/35/985122135.db2.gz RJISMUXPEIJMJF-VIFPVBQESA-N -1 3 411.159 3.987 20 0 HHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000442722411 985185557 /nfs/dbraw/zinc/18/55/57/985185557.db2.gz OYTRNEOBBYVLEB-NSHDSACASA-N -1 3 419.396 3.713 20 0 HHADHM COc1ccccc1C1(C[N-]S(=O)(=O)c2cnccc2C(F)(F)F)CCC1 ZINC000442735569 985194109 /nfs/dbraw/zinc/19/41/09/985194109.db2.gz JMZWGWOFHWNUPE-UHFFFAOYSA-N -1 3 400.422 3.509 20 0 HHADHM O=S(=O)([N-][C@H](C[C@@H]1CCOC1)c1ccccc1)c1cnccc1C(F)(F)F ZINC000442739940 985197269 /nfs/dbraw/zinc/19/72/69/985197269.db2.gz GIWPJSJACHCNCR-XJKSGUPXSA-N -1 3 400.422 3.547 20 0 HHADHM O=S(=O)([N-]C1(c2ccc(Cl)cc2)CCOCC1)c1cnccc1C(F)(F)F ZINC000442765871 985208246 /nfs/dbraw/zinc/20/82/46/985208246.db2.gz NFSXCXVSJWUAIA-UHFFFAOYSA-N -1 3 420.840 3.738 20 0 HHADHM O=S(=O)([N-][C@H]1CCCc2cn(C3CCCC3)nc21)c1cnccc1C(F)(F)F ZINC000442767553 985209536 /nfs/dbraw/zinc/20/95/36/985209536.db2.gz YWKNFXPRPPUIAQ-HNNXBMFYSA-N -1 3 414.453 3.768 20 0 HHADHM O=S(=O)([N-]Cc1cc(Cl)ccc1OC(F)F)c1cnccc1C(F)(F)F ZINC000442770339 985210144 /nfs/dbraw/zinc/21/01/44/985210144.db2.gz PLPRBBPGNKIIEU-UHFFFAOYSA-N -1 3 416.755 3.834 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]CC(C)(C)c1c(F)cccc1Cl ZINC000442848534 985245156 /nfs/dbraw/zinc/24/51/56/985245156.db2.gz ZJADTZULBLQQNS-UHFFFAOYSA-N -1 3 417.861 3.661 20 0 HHADHM Cc1ccc(C)c([C@H](C)N(C)S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC000442936964 985290114 /nfs/dbraw/zinc/29/01/14/985290114.db2.gz ANUSCELGKMKGNW-ZDUSSCGKSA-N -1 3 405.911 3.519 20 0 HHADHM Cc1ccc(C)c([C@H](C)N(C)S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC000442936964 985290120 /nfs/dbraw/zinc/29/01/20/985290120.db2.gz ANUSCELGKMKGNW-ZDUSSCGKSA-N -1 3 405.911 3.519 20 0 HHADHM O=S(=O)([N-][C@H]1CCCN(c2ccccc2Cl)C1)c1cc(F)c(F)c(F)c1 ZINC000462325894 985315566 /nfs/dbraw/zinc/31/55/66/985315566.db2.gz QEAJBSRFUOGQJY-NSHDSACASA-N -1 3 404.841 3.705 20 0 HHADHM COc1cc(CC[N-]S(=O)(=O)c2sc(C)cc2Br)ccc1C ZINC000462337119 985326501 /nfs/dbraw/zinc/32/65/01/985326501.db2.gz SMQXKEAZESTSIH-UHFFFAOYSA-N -1 3 404.351 3.657 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCSc2ccc(Cl)cc21 ZINC000443031878 985345164 /nfs/dbraw/zinc/34/51/64/985345164.db2.gz ZMFUEIXJPYSQBA-CYBMUJFWSA-N -1 3 415.895 3.781 20 0 HHADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@@H](CCc1ccccc1)c1ccccc1 ZINC000443033437 985346046 /nfs/dbraw/zinc/34/60/46/985346046.db2.gz OFJMMKWJCGQQIG-KRWDZBQOSA-N -1 3 416.524 3.582 20 0 HHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](c1nccs1)c1ccccc1 ZINC000443069553 985361090 /nfs/dbraw/zinc/36/10/90/985361090.db2.gz PGXJLKZCVQCZBO-MRXNPFEDSA-N -1 3 422.915 3.651 20 0 HHADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@@H](CC1CCCCC1)c1ccccc1 ZINC000443080977 985365928 /nfs/dbraw/zinc/36/59/28/985365928.db2.gz UEOQAKWJTHMYEB-INIZCTEOSA-N -1 3 408.545 3.920 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]CCCc1cccc(OC)c1 ZINC000443083151 985366931 /nfs/dbraw/zinc/36/69/31/985366931.db2.gz UMAQKEZZZVKMHP-UHFFFAOYSA-N -1 3 419.524 3.608 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]Cc1ccc(OC(C)C)cc1 ZINC000443086850 985368254 /nfs/dbraw/zinc/36/82/54/985368254.db2.gz HSCRYNTVSUCQEO-UHFFFAOYSA-N -1 3 419.524 3.954 20 0 HHADHM CO[C@H](C[N-]S(=O)(=O)c1ccc(Br)s1)c1ccc(Cl)cc1 ZINC000462397613 985376456 /nfs/dbraw/zinc/37/64/56/985376456.db2.gz VWRJSZZOLNHOJZ-LLVKDONJSA-N -1 3 410.742 3.830 20 0 HHADHM COc1cc(C(=O)N2CCC[C@H](c3nnc(-c4ccccc4)[nH]3)C2)cc(Cl)c1[O-] ZINC000443111894 985381556 /nfs/dbraw/zinc/38/15/56/985381556.db2.gz FMNHFMVDEVBEEW-AWEZNQCLSA-N -1 3 412.877 3.859 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]CCO[C@@H]1CCCC[C@H]1C ZINC000443112181 985382034 /nfs/dbraw/zinc/38/20/34/985382034.db2.gz VZVKEZMZHPPTSH-UKRRQHHQSA-N -1 3 411.545 3.562 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]CCO[C@H]1CCCC[C@H]1C ZINC000443112179 985382528 /nfs/dbraw/zinc/38/25/28/985382528.db2.gz VZVKEZMZHPPTSH-HIFRSBDPSA-N -1 3 411.545 3.562 20 0 HHADHM CCOC(=O)[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1 ZINC000462410555 985385367 /nfs/dbraw/zinc/38/53/67/985385367.db2.gz OFLLXTQBWUHRHE-CQSZACIVSA-N -1 3 402.299 3.619 20 0 HHADHM O=S(=O)(Cc1c(Cl)cccc1Cl)[N-][C@@H](Cc1ccccc1)[C@@H](O)C(F)F ZINC000443221030 985449015 /nfs/dbraw/zinc/44/90/15/985449015.db2.gz WFRDPTIJFWADJP-JKSUJKDBSA-N -1 3 424.296 3.650 20 0 HHADHM O=S(=O)(Cc1c(Cl)cccc1Cl)[N-][C@@H](Cc1ccccc1)[C@H](O)C(F)F ZINC000443221022 985449281 /nfs/dbraw/zinc/44/92/81/985449281.db2.gz WFRDPTIJFWADJP-HOTGVXAUSA-N -1 3 424.296 3.650 20 0 HHADHM O=S(=O)([N-][C@H](Cc1ccccc1)[C@@H](O)C(F)F)c1cc(Cl)cc(Cl)c1 ZINC000443222642 985450126 /nfs/dbraw/zinc/45/01/26/985450126.db2.gz DYAOPBORHJTBIO-HUUCEWRRSA-N -1 3 410.269 3.509 20 0 HHADHM O=S(=O)([N-][C@@H]1CCOc2ccc(Br)cc21)c1cc(F)c(F)c(F)c1 ZINC000462529679 985478440 /nfs/dbraw/zinc/47/84/40/985478440.db2.gz QFNZSAIGANFTEC-CYBMUJFWSA-N -1 3 422.222 3.669 20 0 HHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000443327448 985496716 /nfs/dbraw/zinc/49/67/16/985496716.db2.gz GUUOQNSMDGNIHS-AWEZNQCLSA-N -1 3 414.458 3.714 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000443364438 985524910 /nfs/dbraw/zinc/52/49/10/985524910.db2.gz GZAVFCSOYPSJDQ-JTQLQIEISA-N -1 3 421.368 3.550 20 0 HHADHM CC[C@@H](C)OCC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000443388580 985544807 /nfs/dbraw/zinc/54/48/07/985544807.db2.gz PUSBHRJEHRDSFU-OAHLLOKOSA-N -1 3 406.504 3.558 20 0 HHADHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2sc(C)cc2Br)C12CCCC2 ZINC000462653168 985593972 /nfs/dbraw/zinc/59/39/72/985593972.db2.gz AQBZUPFLEIWHQP-QWHCGFSZSA-N -1 3 408.383 3.835 20 0 HHADHM COc1ccccc1-c1noc([C@H](C)[N-]S(=O)(=O)c2cccc3cc(C)cnc32)n1 ZINC000462657468 985597977 /nfs/dbraw/zinc/59/79/77/985597977.db2.gz MESXYCVHUSTKDA-AWEZNQCLSA-N -1 3 424.482 3.641 20 0 HHADHM O=S(=O)([N-][C@H]1CCO[C@H](c2ccccc2)C1)c1cc(Br)ccc1F ZINC000462673880 985611816 /nfs/dbraw/zinc/61/18/16/985611816.db2.gz IHQFZSVBEVPNKY-HOCLYGCPSA-N -1 3 414.296 3.787 20 0 HHADHM COc1cccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3cccc(C(C)C)c3)n2)c1 ZINC000462675228 985612457 /nfs/dbraw/zinc/61/24/57/985612457.db2.gz JFYCYRJWOOFNLE-CQSZACIVSA-N -1 3 401.488 3.908 20 0 HHADHM C[C@H]([N-]S(=O)(=O)c1ccc2c(c1)CCCC2)c1nc(-c2cccc(F)c2)no1 ZINC000462676001 985613654 /nfs/dbraw/zinc/61/36/54/985613654.db2.gz KBPMXVUNBGJHID-ZDUSSCGKSA-N -1 3 401.463 3.794 20 0 HHADHM Cc1ccccc1CS(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)N(C)c1ccccc1 ZINC000462708302 985652338 /nfs/dbraw/zinc/65/23/38/985652338.db2.gz GYEOSDLGZFHNCX-QHCPKHFHSA-N -1 3 422.550 3.689 20 0 HHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H](C)CCc2ccc(C)o2)cc1Cl ZINC000462712462 985657825 /nfs/dbraw/zinc/65/78/25/985657825.db2.gz XLWLNZDMSZBBOT-JTQLQIEISA-N -1 3 402.875 3.639 20 0 HHADHM CC(C)n1ncc2cc(S(=O)(=O)NCc3ccc([O-])c(Br)c3)ccc21 ZINC000443482550 985658100 /nfs/dbraw/zinc/65/81/00/985658100.db2.gz ACZJZXBCODHCDA-UHFFFAOYSA-N -1 3 424.320 3.564 20 0 HHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H](c1ccc(F)cc1F)C(C)C ZINC000443502751 985674518 /nfs/dbraw/zinc/67/45/18/985674518.db2.gz QESPHAPGPBITGT-KRWDZBQOSA-N -1 3 401.406 3.566 20 0 HHADHM O=S(=O)(NCc1ccc([O-])c(Br)c1)c1cccc(C(F)(F)F)c1 ZINC000443508535 985680319 /nfs/dbraw/zinc/68/03/19/985680319.db2.gz ISSNRHLOKZIRHT-UHFFFAOYSA-N -1 3 410.211 3.652 20 0 HHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H](c3c(F)cccc3Cl)N(C)C)cc2)n1 ZINC000468048114 985706524 /nfs/dbraw/zinc/70/65/24/985706524.db2.gz DUHHZKYQDUNSKO-LJQANCHMSA-N -1 3 414.868 3.779 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC(Cc3ccc(C(C)C)cc3)CC2)c(C)o1 ZINC000462807433 985738277 /nfs/dbraw/zinc/73/82/77/985738277.db2.gz SEGSXCGKOBUSGZ-UHFFFAOYSA-N -1 3 418.559 3.714 20 0 HHADHM C[C@H](NC(=O)c1cncc([N-]S(C)(=O)=O)c1)c1ccc(Cl)c2ccccc21 ZINC000462838162 985760557 /nfs/dbraw/zinc/76/05/57/985760557.db2.gz IXBBZQBXOJATIG-LBPRGKRZSA-N -1 3 403.891 3.751 20 0 HHADHM O=S(=O)([N-]Cc1ccc(COC2CCOCC2)cc1)c1ccc(Cl)s1 ZINC000443760328 985972428 /nfs/dbraw/zinc/97/24/28/985972428.db2.gz QKCHVSPABDOFGU-UHFFFAOYSA-N -1 3 401.937 3.576 20 0 HHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)CCc1ccc(F)cc1F ZINC000443795795 985997042 /nfs/dbraw/zinc/99/70/42/985997042.db2.gz HMVPQFDWXZPCJB-UHFFFAOYSA-N -1 3 422.375 3.926 20 0 HHADHM CCc1cccc(CC(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)c1 ZINC000443802183 986001383 /nfs/dbraw/zinc/00/13/83/986001383.db2.gz WOATWXFTALAGHA-UHFFFAOYSA-N -1 3 400.422 3.821 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@H]1c2ccccc2CCC[C@@H]1C ZINC000463043466 986002855 /nfs/dbraw/zinc/00/28/55/986002855.db2.gz KCTFHTRSXLPPNZ-HJPURHCSSA-N -1 3 416.525 3.903 20 0 HHADHM O=S(=O)([N-]Cc1ccc2c(n1)CCCC2)c1cc(Br)ccc1Cl ZINC000443927863 986135228 /nfs/dbraw/zinc/13/52/28/986135228.db2.gz LVQSMYXZMPXQSY-UHFFFAOYSA-N -1 3 415.740 3.855 20 0 HHADHM CCSc1cccc(NC(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000443927887 986135251 /nfs/dbraw/zinc/13/52/51/986135251.db2.gz NKPLXYDHFGRQGM-UHFFFAOYSA-N -1 3 419.981 3.614 20 0 HHADHM O=C([N-]c1cc(Cl)c(Cl)cn1)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000443954280 986161887 /nfs/dbraw/zinc/16/18/87/986161887.db2.gz CITJHVUDKIVSQI-UHFFFAOYSA-N -1 3 420.343 3.877 20 0 HHADHM O=C(Nc1ccccc1)[C@@H]([N-]S(=O)(=O)CCc1cccs1)c1ccccc1 ZINC000443957236 986165237 /nfs/dbraw/zinc/16/52/37/986165237.db2.gz LCRQQRBXFUHEKS-IBGZPJMESA-N -1 3 400.525 3.590 20 0 HHADHM O=C(CSCC(=O)Nc1cc(Br)ccc1[O-])Nc1ccc(F)cc1 ZINC000444004120 986201397 /nfs/dbraw/zinc/20/13/97/986201397.db2.gz KRASFPJVABHYKQ-UHFFFAOYSA-N -1 3 413.268 3.604 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCN(CCOc2ccccc2Cl)CC1 ZINC000468517866 986220521 /nfs/dbraw/zinc/22/05/21/986220521.db2.gz QLMSAUQMIYNFSU-UHFFFAOYSA-N -1 3 420.912 3.731 20 0 HHADHM CC(C)(C)[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)CCO1 ZINC000468520270 986223237 /nfs/dbraw/zinc/22/32/37/986223237.db2.gz XGLAMGQFPSYTKM-IBGZPJMESA-N -1 3 420.506 3.514 20 0 HHADHM Cc1noc(C)c1C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000444064501 986266822 /nfs/dbraw/zinc/26/68/22/986266822.db2.gz KXOGMKSQFQDTOG-UHFFFAOYSA-N -1 3 414.108 3.839 20 0 HHADHM CC(C)Oc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)nc1 ZINC000444188747 986366468 /nfs/dbraw/zinc/36/64/68/986366468.db2.gz USSYODCSGNJIRJ-UHFFFAOYSA-N -1 3 417.409 3.511 20 0 HHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000444228424 986415639 /nfs/dbraw/zinc/41/56/39/986415639.db2.gz RAMZSTXBLSDWFR-UHFFFAOYSA-N -1 3 405.355 3.619 20 0 HHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000444228424 986415651 /nfs/dbraw/zinc/41/56/51/986415651.db2.gz RAMZSTXBLSDWFR-UHFFFAOYSA-N -1 3 405.355 3.619 20 0 HHADHM CCc1cnc(CN(C)C(=O)c2c[n-]c3ccc(Br)cc3c2=O)s1 ZINC000444283139 986472051 /nfs/dbraw/zinc/47/20/51/986472051.db2.gz QLTCYDCXBUHAMG-UHFFFAOYSA-N -1 3 406.305 3.582 20 0 HHADHM Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC000444321378 986502264 /nfs/dbraw/zinc/50/22/64/986502264.db2.gz GRWDGHWSRORJKF-AWEZNQCLSA-N -1 3 420.391 3.744 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H]3CC[C@H](C)C3)ccc2C)cc1 ZINC000444322091 986503211 /nfs/dbraw/zinc/50/32/11/986503211.db2.gz WIPCKCBMBXMLHZ-KSSFIOAISA-N -1 3 402.516 3.723 20 0 HHADHM NC(=O)c1cccc(Oc2ccc(NC(=O)CCCc3ccc([O-])c(F)c3)cn2)c1 ZINC000468816280 986526060 /nfs/dbraw/zinc/52/60/60/986526060.db2.gz DKAYAYLAFRORBT-UHFFFAOYSA-N -1 3 409.417 3.779 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCNC(=O)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000468880636 986587102 /nfs/dbraw/zinc/58/71/02/986587102.db2.gz GKNSTYHKDOLZBV-IBGZPJMESA-N -1 3 424.394 3.573 20 0 HHADHM C[C@H](CN(C)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)Oc1ccc(Cl)c(Cl)c1 ZINC000468881669 986588040 /nfs/dbraw/zinc/58/80/40/986588040.db2.gz IBLORRMLGFNBEM-SNVBAGLBSA-N -1 3 422.268 3.808 20 0 HHADHM C[C@@H](NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O)c1ccccn1 ZINC000468888264 986595067 /nfs/dbraw/zinc/59/50/67/986595067.db2.gz JJACKOFDYCLHCJ-SECBINFHSA-N -1 3 406.667 3.830 20 0 HHADHM CCN(CC)C(=O)COc1cccc(NC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000468932558 986638392 /nfs/dbraw/zinc/63/83/92/986638392.db2.gz JOXWBQMVUZUXGH-UHFFFAOYSA-N -1 3 402.466 3.740 20 0 HHADHM Cc1n[nH]cc1-c1nnc([N-]C(=O)c2sc3nc(C(F)(F)F)ccc3c2C)s1 ZINC000444464513 986647018 /nfs/dbraw/zinc/64/70/18/986647018.db2.gz MPLWBLQRQNXMTG-UHFFFAOYSA-N -1 3 424.433 4.426 20 0 HHADHM O=C(Nc1ccc2c(c1)CCC(=O)N2CC(F)(F)F)c1c[n-]c2ccccc2c1=O ZINC000444476431 986662319 /nfs/dbraw/zinc/66/23/19/986662319.db2.gz ITTQGOPMNQQCRS-UHFFFAOYSA-N -1 3 415.371 3.622 20 0 HHADHM COc1cccc(CNC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)c1 ZINC000468978113 986682554 /nfs/dbraw/zinc/68/25/54/986682554.db2.gz PECYWTKHIFTVAJ-UHFFFAOYSA-N -1 3 421.678 3.883 20 0 HHADHM C[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000469009780 986715481 /nfs/dbraw/zinc/71/54/81/986715481.db2.gz SQJMTOYNUROPJY-MRXNPFEDSA-N -1 3 413.493 3.598 20 0 HHADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(OC)c2)cc1 ZINC000463785920 986776403 /nfs/dbraw/zinc/77/64/03/986776403.db2.gz JMVQPOVMDTXFEV-UHFFFAOYSA-N -1 3 409.504 3.699 20 0 HHADHM CC(C)(c1nnc([N-]C(=O)c2cn(Cc3cccs3)nn2)s1)c1ccccc1 ZINC000463792709 986784121 /nfs/dbraw/zinc/78/41/21/986784121.db2.gz ZYXWCGALIHDPLN-UHFFFAOYSA-N -1 3 410.528 3.818 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)NC[C@@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000469079352 986792953 /nfs/dbraw/zinc/79/29/53/986792953.db2.gz VPXGVAKLPNNHRJ-FQEVSTJZSA-N -1 3 420.912 3.697 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(O[C@@H]4CCOC4)cc3)c2)n1 ZINC000469085660 986798069 /nfs/dbraw/zinc/79/80/69/986798069.db2.gz SSLSTLSUZRWEKY-HXUWFJFHSA-N -1 3 405.454 3.832 20 0 HHADHM O=C(NCCc1ccccc1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000469089733 986802878 /nfs/dbraw/zinc/80/28/78/986802878.db2.gz ZCWYNCCKJSVTGA-UHFFFAOYSA-N -1 3 405.679 3.917 20 0 HHADHM CCOC(=O)c1nc(C2CCN(C(=O)c3sc4ccc(F)cc4c3C)CC2)n[n-]1 ZINC000444669985 986853675 /nfs/dbraw/zinc/85/36/75/986853675.db2.gz WLWDQYBGJFMTRG-UHFFFAOYSA-N -1 3 416.478 3.663 20 0 HHADHM CCOC(=O)c1nnc(C2CCN(C(=O)c3sc4ccc(F)cc4c3C)CC2)[n-]1 ZINC000444669985 986853688 /nfs/dbraw/zinc/85/36/88/986853688.db2.gz WLWDQYBGJFMTRG-UHFFFAOYSA-N -1 3 416.478 3.663 20 0 HHADHM CCOC(=O)c1nc(C2CCN(C(=O)CC3CCC(C(C)(C)C)CC3)CC2)n[n-]1 ZINC000444683165 986863148 /nfs/dbraw/zinc/86/31/48/986863148.db2.gz XAIRUUHUMSMBMG-UHFFFAOYSA-N -1 3 404.555 3.930 20 0 HHADHM CCOC(=O)c1nnc(C2CCN(C(=O)CC3CCC(C(C)(C)C)CC3)CC2)[n-]1 ZINC000444683165 986863158 /nfs/dbraw/zinc/86/31/58/986863158.db2.gz XAIRUUHUMSMBMG-UHFFFAOYSA-N -1 3 404.555 3.930 20 0 HHADHM Cc1nc(C)c(CC(=O)N2CCC[C@H]2c2cc(F)cc(Br)c2)c(=O)[n-]1 ZINC000469239231 986959953 /nfs/dbraw/zinc/95/99/53/986959953.db2.gz YWEFNUHMIUXWCI-INIZCTEOSA-N -1 3 408.271 3.607 20 0 HHADHM Cc1ncc(CNC(=O)NCC2(c3cc(C(F)(F)F)ccc3Cl)CC2)c(=O)[n-]1 ZINC000469257979 986977313 /nfs/dbraw/zinc/97/73/13/986977313.db2.gz QMNXCNZBSBVWFM-UHFFFAOYSA-N -1 3 414.815 3.694 20 0 HHADHM COc1ccccc1NC(=O)C1CCN(C(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000469298385 987014116 /nfs/dbraw/zinc/01/41/16/987014116.db2.gz DVACVBHYTQLGSD-UHFFFAOYSA-N -1 3 414.477 3.740 20 0 HHADHM CCOC(=O)c1nc(C2CCN(C(=O)N[C@@H](CC)c3ccc(Cl)cc3)CC2)n[n-]1 ZINC000444870805 987025028 /nfs/dbraw/zinc/02/50/28/987025028.db2.gz FYNFQPUSMHGWJL-INIZCTEOSA-N -1 3 419.913 3.675 20 0 HHADHM CCOC(=O)c1nnc(C2CCN(C(=O)N[C@@H](CC)c3ccc(Cl)cc3)CC2)[n-]1 ZINC000444870805 987025044 /nfs/dbraw/zinc/02/50/44/987025044.db2.gz FYNFQPUSMHGWJL-INIZCTEOSA-N -1 3 419.913 3.675 20 0 HHADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(Oc3cc(C)[nH]n3)cc2)ccc1C ZINC000469334751 987042465 /nfs/dbraw/zinc/04/24/65/987042465.db2.gz LTLCMRXAGYRMJL-UHFFFAOYSA-N -1 3 400.460 3.578 20 0 HHADHM CC[C@H]1Oc2cc([C@H](C)NC(=O)CCCc3ccc([O-])c(F)c3)ccc2NC1=O ZINC000469425948 987114114 /nfs/dbraw/zinc/11/41/14/987114114.db2.gz IHGLFXQRJAKOBY-ORAYPTAESA-N -1 3 400.450 3.841 20 0 HHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NCc3cccc4cc[nH]c43)cs2)c1 ZINC000469462373 987147323 /nfs/dbraw/zinc/14/73/23/987147323.db2.gz HHOYRFQKPDQOHG-UHFFFAOYSA-N -1 3 420.494 3.750 20 0 HHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)c2ccc(F)cc2)cc1F ZINC000445057462 987183041 /nfs/dbraw/zinc/18/30/41/987183041.db2.gz HVLFZCSHKDMDLU-HNNXBMFYSA-N -1 3 423.359 3.723 20 0 HHADHM Cc1noc(C)c1CCNC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000469639891 987299081 /nfs/dbraw/zinc/29/90/81/987299081.db2.gz CGRIJJFHRPLDQD-UHFFFAOYSA-N -1 3 424.682 3.521 20 0 HHADHM Cc1cc2c(ncnc2N2CCN(C(=O)CCCc3ccc([O-])c(F)c3)CC2)s1 ZINC000469665287 987322103 /nfs/dbraw/zinc/32/21/03/987322103.db2.gz MOQXNMDFOUPMDA-UHFFFAOYSA-N -1 3 414.506 3.516 20 0 HHADHM O=C(Cc1noc(-c2cc(Cc3ccccc3)ccc2[O-])n1)NCCc1ccccc1 ZINC000445308534 987364408 /nfs/dbraw/zinc/36/44/08/987364408.db2.gz AFHBIHLEYWYHSR-UHFFFAOYSA-N -1 3 413.477 3.934 20 0 HHADHM Cc1cc(=O)[n-]c([C@H](C)Sc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)n1 ZINC000469804139 987445225 /nfs/dbraw/zinc/44/52/25/987445225.db2.gz KCBHRIVDPVMFBU-STQMWFEESA-N -1 3 403.533 3.843 20 0 HHADHM CN1C(=O)C[C@H](NC(=O)CCCc2ccc([O-])c(F)c2)[C@H]1c1ccc(Cl)cc1 ZINC000469815268 987453979 /nfs/dbraw/zinc/45/39/79/987453979.db2.gz BZTQBBLUWPOBTR-LAUBAEHRSA-N -1 3 404.869 3.596 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)NCCCc1nc(-c2ccc(F)cc2)no1 ZINC000469820165 987458334 /nfs/dbraw/zinc/45/83/34/987458334.db2.gz JPNZQVQPMBPWOW-UHFFFAOYSA-N -1 3 401.413 3.792 20 0 HHADHM Cc1ccc(C(=O)NCCc2nc(-c3ccc(Br)cc3F)no2)c([O-])c1 ZINC000445448163 987518075 /nfs/dbraw/zinc/51/80/75/987518075.db2.gz QXYCWWYCKLPNDY-UHFFFAOYSA-N -1 3 420.238 3.625 20 0 HHADHM Cc1ccc(F)cc1-c1nnc([N-]C(=O)c2cn(-c3ccc(F)cc3C)nn2)s1 ZINC000469889207 987526128 /nfs/dbraw/zinc/52/61/28/987526128.db2.gz NRPLBLOEZITLGX-UHFFFAOYSA-N -1 3 412.425 3.933 20 0 HHADHM Cc1nn(-c2ccc(Br)cc2)c(NC(=O)NCc2ncccc2[O-])c1C ZINC000469915879 987545622 /nfs/dbraw/zinc/54/56/22/987545622.db2.gz HVGSECPQELXXBM-UHFFFAOYSA-N -1 3 416.279 3.674 20 0 HHADHM Cc1nc(C)c(CC(=O)N[C@H](COc2c(C)cccc2C)c2ccccc2)c(=O)[n-]1 ZINC000469960304 987580330 /nfs/dbraw/zinc/58/03/30/987580330.db2.gz XGRPRSWNNUXVNJ-OAQYLSRUSA-N -1 3 405.498 3.895 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)C[C@@H]3CCC[C@@H]3C)c2)cc1 ZINC000469970158 987587761 /nfs/dbraw/zinc/58/77/61/987587761.db2.gz XNVSOYLGPVJHRA-WMZOPIPTSA-N -1 3 416.543 3.939 20 0 HHADHM CCO[C@H](CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)C(C)C ZINC000470014563 987626440 /nfs/dbraw/zinc/62/64/40/987626440.db2.gz BYXUPZNYCCIWJE-HXUWFJFHSA-N -1 3 422.522 3.808 20 0 HHADHM Cc1cscc1-c1noc(CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)n1 ZINC000445622710 987694244 /nfs/dbraw/zinc/69/42/44/987694244.db2.gz BAJVXYSZEWOLHG-UHFFFAOYSA-N -1 3 418.327 3.934 20 0 HHADHM CCO[C@@H](c1noc([C@@H](C)[N-]S(=O)(=O)c2ccc(C)cc2)n1)c1ccccc1 ZINC000445785580 987847478 /nfs/dbraw/zinc/84/74/78/987847478.db2.gz XICMLFXYDJTCIO-CRAIPNDOSA-N -1 3 401.488 3.543 20 0 HHADHM CCc1c(NC(=O)NCc2ncccc2[O-])cnn1-c1ccc(C(F)(F)F)cc1 ZINC000470145070 988051944 /nfs/dbraw/zinc/05/19/44/988051944.db2.gz ZOJGUCIEOKNVSU-UHFFFAOYSA-N -1 3 405.380 3.876 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000470206236 988129502 /nfs/dbraw/zinc/12/95/02/988129502.db2.gz PWRHELTVAMTHMI-HNNXBMFYSA-N -1 3 402.454 3.697 20 0 HHADHM Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000464210435 988327841 /nfs/dbraw/zinc/32/78/41/988327841.db2.gz XLXITZJBHJSXOX-SECBINFHSA-N -1 3 413.824 3.894 20 0 HHADHM C[C@H](CC(F)(F)F)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000464268313 988384568 /nfs/dbraw/zinc/38/45/68/988384568.db2.gz TYCJGZXMPPQYQR-LLVKDONJSA-N -1 3 404.385 3.697 20 0 HHADHM CCOc1ccc(S(=O)(=O)[N-]c2cc(OC)ccc2F)cc1Br ZINC000470447044 988424965 /nfs/dbraw/zinc/42/49/65/988424965.db2.gz WZPATLGOBZRIOE-UHFFFAOYSA-N -1 3 404.257 3.796 20 0 HHADHM CC[S@](=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2oc3ccc(Cl)cc3c2C)C1 ZINC000470600514 988617700 /nfs/dbraw/zinc/61/77/00/988617700.db2.gz IEGIBABEDVFATI-XACMVJRISA-N -1 3 403.953 3.753 20 0 HHADHM CS(=O)(=O)c1cc(C(=O)[N-]c2nnc(-c3ccc(Cl)cc3F)s2)cs1 ZINC000470635967 988650389 /nfs/dbraw/zinc/65/03/89/988650389.db2.gz VDICVQRIKYMDAX-UHFFFAOYSA-N -1 3 417.896 3.715 20 0 HHADHM O=C([N-]c1nc2cc(Cl)ccn2n1)c1csc(-c2cnn(-c3ccccc3)c2)n1 ZINC000464635056 988811294 /nfs/dbraw/zinc/81/12/94/988811294.db2.gz IMCNYWUMMXHEIB-UHFFFAOYSA-N -1 3 421.873 3.944 20 0 HHADHM COC(=O)c1cc(CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)c(C)s1 ZINC000464902319 989174363 /nfs/dbraw/zinc/17/43/63/989174363.db2.gz RSGMHMSNRSDYMQ-UHFFFAOYSA-N -1 3 412.496 3.970 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]c2cccn(Cc3ccc(F)cc3)c2=O)c(Cl)cc1F ZINC000471110891 989213868 /nfs/dbraw/zinc/21/38/68/989213868.db2.gz WYPASRGCLZYHDA-UHFFFAOYSA-N -1 3 424.856 3.937 20 0 HHADHM O=C(NCc1ncccc1[O-])Nc1ccc(Br)cc1Br ZINC000471130847 989239414 /nfs/dbraw/zinc/23/94/14/989239414.db2.gz YWGBGANOGZHZKO-UHFFFAOYSA-N -1 3 401.058 3.634 20 0 HHADHM CCOc1cc(Br)c(NC(=O)NCc2ncccc2[O-])cc1OCC ZINC000471252673 989398363 /nfs/dbraw/zinc/39/83/63/989398363.db2.gz AGTDINJFRHBOHP-UHFFFAOYSA-N -1 3 410.268 3.669 20 0 HHADHM CO[C@]1(C)C[C@H](NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)C1(C)C ZINC000465255983 989607313 /nfs/dbraw/zinc/60/73/13/989607313.db2.gz CTXZTUACMWJVMG-GHTZIAJQSA-N -1 3 420.506 3.560 20 0 HHADHM COc1ccc(C[C@@H](NC(=O)NCc2ncccc2[O-])c2ccc(OC)cc2)cc1 ZINC000471536326 989735906 /nfs/dbraw/zinc/73/59/06/989735906.db2.gz ITYFWSXYDVKHHC-HXUWFJFHSA-N -1 3 407.470 3.588 20 0 HHADHM Cc1ccc(C(=O)NCC(F)F)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000465393135 989742728 /nfs/dbraw/zinc/74/27/28/989742728.db2.gz YYGXMYHNBFYMHQ-UHFFFAOYSA-N -1 3 406.813 3.583 20 0 HHADHM O=C([N-]c1ncn(Cc2cccc(Br)c2)n1)c1ccc(F)c(F)c1F ZINC000465451321 989791614 /nfs/dbraw/zinc/79/16/14/989791614.db2.gz BMTWRYNXHQHHSL-UHFFFAOYSA-N -1 3 411.181 3.759 20 0 HHADHM COc1ccccc1N1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000465493850 989842653 /nfs/dbraw/zinc/84/26/53/989842653.db2.gz PHHQYJUUAFCDIE-ZDUSSCGKSA-N -1 3 401.315 3.559 20 0 HHADHM O=C(NCc1ccccc1-c1ccc(Cn2ccnc2)cc1)NCc1ncccc1[O-] ZINC000471808400 989991500 /nfs/dbraw/zinc/99/15/00/989991500.db2.gz GHTULELNAHIEKF-UHFFFAOYSA-N -1 3 413.481 3.698 20 0 HHADHM CCc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccc4c(c3)C[C@H](C)O4)n2)cc1 ZINC000471874942 990047394 /nfs/dbraw/zinc/04/73/94/990047394.db2.gz HZCPHJKSVWHBTC-KBPBESRZSA-N -1 3 413.499 3.662 20 0 HHADHM COC(=O)c1cc(F)c(C)c(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2C)c1 ZINC000471912050 990080056 /nfs/dbraw/zinc/08/00/56/990080056.db2.gz TXXRGZZXFNZGET-UHFFFAOYSA-N -1 3 406.479 3.630 20 0 HHADHM COCCC[C@@H](Cc1ccccc1)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000472039054 990210091 /nfs/dbraw/zinc/21/00/91/990210091.db2.gz UOXRNFUNVRVHFJ-KRWDZBQOSA-N -1 3 421.335 3.992 20 0 HHADHM O=C(NCc1ncccc1[O-])NCC1(c2cccc(Br)c2)CCCC1 ZINC000472047711 990215298 /nfs/dbraw/zinc/21/52/98/990215298.db2.gz HSLDERPODOAWFY-UHFFFAOYSA-N -1 3 404.308 3.861 20 0 HHADHM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3ccc(NC(=O)C(C)C)cc3)cc2F)c1 ZINC000466326128 991579901 /nfs/dbraw/zinc/57/99/01/991579901.db2.gz QBDCJBBDTQRTBF-UHFFFAOYSA-N -1 3 416.478 3.715 20 0 HHADHM C[C@]1(C[N-]S(=O)(=O)c2cc(Br)ccc2Cl)CCO[C@@H]1C1CC1 ZINC000466557423 991870824 /nfs/dbraw/zinc/87/08/24/991870824.db2.gz VWHYIJAPYCOQRI-HUUCEWRRSA-N -1 3 408.745 3.586 20 0 HHADHM Cc1ccc(-c2nc(C[N-]S(=O)(=O)c3ccc(Br)s3)co2)cc1 ZINC000466909597 992225308 /nfs/dbraw/zinc/22/53/08/992225308.db2.gz MNKCKKUWIYGGJN-UHFFFAOYSA-N -1 3 413.318 3.953 20 0 HHADHM CCCOc1ccc([N-]S(=O)(=O)c2ccc(OC[C@@H]3CCOC3)c(F)c2)cc1 ZINC000466965128 992276008 /nfs/dbraw/zinc/27/60/08/992276008.db2.gz SSMWYCTWDIZYLU-OAHLLOKOSA-N -1 3 409.479 3.831 20 0 HHADHM CN1CCC(N(Cc2ccccc2)C(=O)N=c2nc(-c3ccccc3)[n-]s2)CC1 ZINC000467236158 992557631 /nfs/dbraw/zinc/55/76/31/992557631.db2.gz DAPVTRVAADQQFP-UHFFFAOYSA-N -1 3 407.543 3.755 20 0 HHADHM COC(=O)c1sc2[n-]c(CN3CCC[C@]3(C)Cc3ccccc3)nc(=O)c2c1C ZINC000467238799 992560199 /nfs/dbraw/zinc/56/01/99/992560199.db2.gz RIEUHOWJNYCNRS-JOCHJYFZSA-N -1 3 411.527 3.677 20 0 HHADHM Cc1cc(N2CCCC[C@H]2C)ccc1[N-]S(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000467430143 992729509 /nfs/dbraw/zinc/72/95/09/992729509.db2.gz SGAAOABUASCLSG-OAHLLOKOSA-N -1 3 415.515 3.620 20 0 HHADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(C4CCC4)nc3c2)cc1 ZINC000467430679 992729621 /nfs/dbraw/zinc/72/96/21/992729621.db2.gz SFLFFXIHMVCZJT-UHFFFAOYSA-N -1 3 401.488 3.656 20 0 HHADHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)Nc2ccc(F)c(C3CC3)c2)CCCC1 ZINC000467808882 993043018 /nfs/dbraw/zinc/04/30/18/993043018.db2.gz KAZSRXFQMBGMQY-UHFFFAOYSA-N -1 3 421.494 3.538 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CC[C@H](c2ccccc2)C[C@H]1C ZINC000467862484 993093004 /nfs/dbraw/zinc/09/30/04/993093004.db2.gz KGGUYXJLDPXNEF-UTKZUKDTSA-N -1 3 416.525 3.868 20 0 HHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000472093892 993144170 /nfs/dbraw/zinc/14/41/70/993144170.db2.gz JTOLZJYNWXWXHA-CQSZACIVSA-N -1 3 406.454 3.824 20 0 HHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H]1CCN(c2ccccc2Cl)C1=O ZINC000472104782 993155491 /nfs/dbraw/zinc/15/54/91/993155491.db2.gz VQBWSSXRRMJRKD-HNNXBMFYSA-N -1 3 422.865 3.618 20 0 HHADHM COc1ccccc1[C@H](C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)OC(C)C ZINC000472625388 993568721 /nfs/dbraw/zinc/56/87/21/993568721.db2.gz YFCXLECTESIWMT-KRWDZBQOSA-N -1 3 403.422 3.557 20 0 HHADHM CC(C)OC(=O)CC[C@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000480727949 993595298 /nfs/dbraw/zinc/59/52/98/993595298.db2.gz PARBOOOGHZGIFX-JTQLQIEISA-N -1 3 412.733 3.501 20 0 HHADHM Cc1ccc(CS(=O)(=O)[N-][C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)c(F)c1 ZINC000480794876 993663739 /nfs/dbraw/zinc/66/37/39/993663739.db2.gz INCNPOFRKYKXBS-CYBMUJFWSA-N -1 3 407.442 3.812 20 0 HHADHM CCNc1cc(C)ccc1NC(=O)CS(=O)(=O)[N-]c1ccc(OC(C)C)cc1 ZINC000480802648 993672196 /nfs/dbraw/zinc/67/21/96/993672196.db2.gz YWTKBPFOELQABE-UHFFFAOYSA-N -1 3 405.520 3.594 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H]2CCCc3c(O)cccc32)s1 ZINC000480852103 993724512 /nfs/dbraw/zinc/72/45/12/993724512.db2.gz LBXMJQPBRPJVQZ-ZDUSSCGKSA-N -1 3 402.335 3.881 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@H]2CCC3(CCCCC3)O2)s1 ZINC000480864508 993735281 /nfs/dbraw/zinc/73/52/81/993735281.db2.gz NILMXPBGFCPMJK-LBPRGKRZSA-N -1 3 408.383 3.979 20 0 HHADHM CCCCn1ccnc1-c1cccc(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)c1 ZINC000480983817 993825061 /nfs/dbraw/zinc/82/50/61/993825061.db2.gz RFBAULYZDXRPFE-UHFFFAOYSA-N -1 3 407.400 3.809 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CC[C@H](C4CC4)C3)ccc2C)cc1 ZINC000481055070 993896849 /nfs/dbraw/zinc/89/68/49/993896849.db2.gz VABIRJFFDFSRSD-SFHVURJKSA-N -1 3 414.527 3.677 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CC[C@@H](C4CC4)C3)c2)cc1 ZINC000481081101 993920042 /nfs/dbraw/zinc/92/00/42/993920042.db2.gz RIVLFYNMFVVZGY-QGZVFWFLSA-N -1 3 414.527 3.677 20 0 HHADHM CC[C@H](C)N[C@@H](CNC(=O)N=c1nc(-c2sccc2C)[n-]s1)c1ccco1 ZINC000481377510 994208450 /nfs/dbraw/zinc/20/84/50/994208450.db2.gz KDWLRUPAXHENNI-STQMWFEESA-N -1 3 405.549 3.841 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CC2(CCC2)c2ccccc21 ZINC000481413724 994247382 /nfs/dbraw/zinc/24/73/82/994247382.db2.gz BHNNRWJMCPALIF-UHFFFAOYSA-N -1 3 400.482 3.541 20 0 HHADHM COc1ccc(-c2cc3[n-]c(CN(C)C[C@@H]4CCCC[C@H]4O)nc(=O)c3s2)cc1 ZINC000481441181 994277182 /nfs/dbraw/zinc/27/71/82/994277182.db2.gz LRJFLLGIHKXXGC-MAUKXSAKSA-N -1 3 413.543 3.643 20 0 HHADHM O=c1[n-]c(CN2CCC(O)(Cc3cccc(F)c3)CC2)nc2c3ccccc3oc21 ZINC000473438281 994288088 /nfs/dbraw/zinc/28/80/88/994288088.db2.gz VNIQKINCQMPZPJ-UHFFFAOYSA-N -1 3 407.445 3.790 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)C1CCC(OC[C@H]2CCCO2)CC1 ZINC000481453608 994289771 /nfs/dbraw/zinc/28/97/71/994289771.db2.gz NERRSDYYVLYUMB-UYSNPLJNSA-N -1 3 412.324 3.525 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C1CC(F)(c2cccc(Cl)c2)C1 ZINC000481589543 994434990 /nfs/dbraw/zinc/43/49/90/994434990.db2.gz URHVGLJTSPNYGY-UHFFFAOYSA-N -1 3 415.845 3.571 20 0 HHADHM O=C(NCc1ncccc1[O-])c1ccccc1C(=O)c1ccc(Br)cc1 ZINC000473627323 994507728 /nfs/dbraw/zinc/50/77/28/994507728.db2.gz FJZQTKVWVHOPOO-UHFFFAOYSA-N -1 3 411.255 3.711 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@H](C)[C@@H](C)c2ccccc2)cc1OC ZINC000473631803 994511775 /nfs/dbraw/zinc/51/17/75/994511775.db2.gz ZPLGZGDQXDTSOY-HUUCEWRRSA-N -1 3 405.520 3.771 20 0 HHADHM CCOC(=O)CC(=O)CS[C@@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000481759882 994611987 /nfs/dbraw/zinc/61/19/87/994611987.db2.gz HVSWGTROYVGAJI-JTQLQIEISA-N -1 3 406.485 3.973 20 0 HHADHM CCOC1CC(CCNC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)C1 ZINC000473720629 994614167 /nfs/dbraw/zinc/61/41/67/994614167.db2.gz JOYZHWZQULBFDI-UHFFFAOYSA-N -1 3 423.941 3.611 20 0 HHADHM CC(C)(NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(OC(F)(F)F)cc1 ZINC000473761968 994676593 /nfs/dbraw/zinc/67/65/93/994676593.db2.gz DUHKSOOBYSIWNK-UHFFFAOYSA-N -1 3 407.348 3.526 20 0 HHADHM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(CN(C)C)c(Cl)c2)c1 ZINC000481864422 994724922 /nfs/dbraw/zinc/72/49/22/994724922.db2.gz JNJGGBZIEDSJAG-UHFFFAOYSA-N -1 3 417.314 3.642 20 0 HHADHM Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2nc(C(F)(F)F)n[n-]2)o1 ZINC000481904481 994776481 /nfs/dbraw/zinc/77/64/81/994776481.db2.gz LAOKEYNMMQZXFK-UHFFFAOYSA-N -1 3 416.363 3.508 20 0 HHADHM C[C@@H](Sc1ccnc2cc(Cl)ccc21)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000481911985 994784464 /nfs/dbraw/zinc/78/44/64/994784464.db2.gz HRHUTNMOOZRGTQ-MRVPVSSYSA-N -1 3 415.828 3.822 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1cc2ccccc2n1Cc1ccccc1F ZINC000481939148 994814195 /nfs/dbraw/zinc/81/41/95/994814195.db2.gz UZLNRCMCUQBJJY-UHFFFAOYSA-N -1 3 417.366 3.896 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(NC(=O)NC(C)C)cc2)sc1Cl ZINC000473908570 994871243 /nfs/dbraw/zinc/87/12/43/994871243.db2.gz GCGGLGRDMGFBDC-UHFFFAOYSA-N -1 3 401.941 3.718 20 0 HHADHM CC[C@H](Cc1cccc(Br)c1)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000473937740 994911702 /nfs/dbraw/zinc/91/17/02/994911702.db2.gz QNGRAIAYYQVRAB-OAHLLOKOSA-N -1 3 414.307 3.760 20 0 HHADHM CC[C@H](Cc1cccc(Br)c1)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000473937740 994911713 /nfs/dbraw/zinc/91/17/13/994911713.db2.gz QNGRAIAYYQVRAB-OAHLLOKOSA-N -1 3 414.307 3.760 20 0 HHADHM Cc1ccccc1[C@@H]([C@@H](C)[N-]S(=O)(=O)c1sccc1Br)N(C)C ZINC000473959281 994938716 /nfs/dbraw/zinc/93/87/16/994938716.db2.gz WWYAJUSAODRJFP-IUODEOHRSA-N -1 3 417.394 3.789 20 0 HHADHM CC[C@H](C)[C@H](OC)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000474099708 995081375 /nfs/dbraw/zinc/08/13/75/995081375.db2.gz ZIPHSKMAXAEOLU-XOBRGWDASA-N -1 3 420.531 3.804 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCO[C@H]2c2ccccc2)sc1Br ZINC000482189013 995162743 /nfs/dbraw/zinc/16/27/43/995162743.db2.gz YLQQXIAFVKFUBM-ZFWWWQNUSA-N -1 3 416.362 3.875 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000482231248 995214519 /nfs/dbraw/zinc/21/45/19/995214519.db2.gz VLVFKGLVLDLXGS-QWRGUYRKSA-N -1 3 407.421 3.799 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000482231246 995214558 /nfs/dbraw/zinc/21/45/58/995214558.db2.gz VLVFKGLVLDLXGS-GHMZBOCLSA-N -1 3 407.421 3.799 20 0 HHADHM C[C@H](NC(=O)NCc1ccc([O-])c(Br)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000482307915 995286575 /nfs/dbraw/zinc/28/65/75/995286575.db2.gz MAKWKAWCFMHYSZ-NSHDSACASA-N -1 3 418.291 3.600 20 0 HHADHM CNS(=O)(=O)c1csc(C(=O)[N-]c2cc(C)ccc2SCC(F)(F)F)c1 ZINC000482324450 995303228 /nfs/dbraw/zinc/30/32/28/995303228.db2.gz VNPNTHBPXKQFAY-UHFFFAOYSA-N -1 3 424.491 3.871 20 0 HHADHM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cc(CN(C)C)ccn3)c2)cc1 ZINC000482327948 995307403 /nfs/dbraw/zinc/30/74/03/995307403.db2.gz IGOPEDPDTYZPSJ-UHFFFAOYSA-N -1 3 424.526 3.505 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@H]2CCO[C@H]2c2ccccc2)s1 ZINC000482344237 995322661 /nfs/dbraw/zinc/32/26/61/995322661.db2.gz UPBHPXLBPKTCTM-ZFWWWQNUSA-N -1 3 416.362 3.875 20 0 HHADHM O=S(=O)([N-][C@@H](Cc1ccccn1)c1ccc(Br)cc1)c1ccco1 ZINC000474381360 995358950 /nfs/dbraw/zinc/35/89/50/995358950.db2.gz MKADOFVPULZNDQ-INIZCTEOSA-N -1 3 407.289 3.699 20 0 HHADHM O=C(NCc1ccc([O-])c(F)c1)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000474382646 995360912 /nfs/dbraw/zinc/36/09/12/995360912.db2.gz VGACLIOXZMHGSB-CQSZACIVSA-N -1 3 406.763 3.736 20 0 HHADHM Cc1ncc(CNC(=O)N[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)c(=O)[n-]1 ZINC000482420357 995409881 /nfs/dbraw/zinc/40/98/81/995409881.db2.gz JSFQQYWMJBENPE-GFCCVEGCSA-N -1 3 408.302 3.612 20 0 HHADHM Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(-c4nc(C)cc(=O)[n-]4)cc3)cc2F)n1 ZINC000482424655 995415405 /nfs/dbraw/zinc/41/54/05/995415405.db2.gz UGWDXBAQDNQDGZ-UHFFFAOYSA-N -1 3 417.444 3.939 20 0 HHADHM Cc1[nH]c2ccccc2c1CCNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000482464832 995469035 /nfs/dbraw/zinc/46/90/35/995469035.db2.gz TZFBVYCUEVCRRR-UHFFFAOYSA-N -1 3 402.292 3.986 20 0 HHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 ZINC000474536507 995503445 /nfs/dbraw/zinc/50/34/45/995503445.db2.gz DPJIOELCJIWKLT-UHFFFAOYSA-N -1 3 418.862 3.964 20 0 HHADHM COC(=O)c1cc([N-]C(=O)c2cnc(-c3ccc4c(c3)OCO4)s2)c(F)cc1F ZINC000482503516 995513389 /nfs/dbraw/zinc/51/33/89/995513389.db2.gz KZMLAINZXVPZNC-UHFFFAOYSA-N -1 3 418.377 3.856 20 0 HHADHM Cc1ccc(SC[C@H](C)NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)cc1 ZINC000474561929 995526155 /nfs/dbraw/zinc/52/61/55/995526155.db2.gz FXEGEBXZOZZKSE-INIZCTEOSA-N -1 3 422.554 3.678 20 0 HHADHM CCCCCn1nc(C)cc1NC(=O)CS(=O)(=O)[N-]c1ccc(OC(C)C)cc1 ZINC000482634195 995628032 /nfs/dbraw/zinc/62/80/32/995628032.db2.gz RIRUEUSMHHHVEQ-UHFFFAOYSA-N -1 3 422.551 3.549 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNCc3ccnn3C(C)C)c2)cc1 ZINC000474725134 995661162 /nfs/dbraw/zinc/66/11/62/995661162.db2.gz DTVRKLRXIINZHB-UHFFFAOYSA-N -1 3 414.531 3.563 20 0 HHADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)c1cccc(OCc2cccc(C)c2)c1 ZINC000474778080 995704396 /nfs/dbraw/zinc/70/43/96/995704396.db2.gz UXCYGXGOSPJLBT-UHFFFAOYSA-N -1 3 422.437 3.728 20 0 HHADHM CC(C)n1nccc1CNCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000474804403 995716893 /nfs/dbraw/zinc/71/68/93/995716893.db2.gz OCUIPUMSXKRUMB-UHFFFAOYSA-N -1 3 402.495 3.694 20 0 HHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1nc2cc(Br)ccc2[nH]1 ZINC000474981278 995843244 /nfs/dbraw/zinc/84/32/44/995843244.db2.gz QVPSGDGLAMESNN-UHFFFAOYSA-N -1 3 404.268 3.679 20 0 HHADHM Cc1ccc(C(=O)NC2CC2)cc1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000483011079 995918292 /nfs/dbraw/zinc/91/82/92/995918292.db2.gz HLLLHWWFCGWWKB-UHFFFAOYSA-N -1 3 418.291 3.677 20 0 HHADHM COC(=O)c1cc(NC(=O)NCc2ccc([O-])c(Br)c2)c(F)cc1F ZINC000483041143 995936195 /nfs/dbraw/zinc/93/61/95/995936195.db2.gz HZMSGZDICLVWKK-UHFFFAOYSA-N -1 3 415.190 3.541 20 0 HHADHM CCC[C@H](O)CNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000475159362 995960107 /nfs/dbraw/zinc/96/01/07/995960107.db2.gz XJADXRYTRMJBRF-IBGZPJMESA-N -1 3 418.559 3.612 20 0 HHADHM CCN(c1ccccc1)c1ccc(CNC(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000483096389 995971521 /nfs/dbraw/zinc/97/15/21/995971521.db2.gz JPUXBKIJFVOKCS-UHFFFAOYSA-N -1 3 418.423 3.981 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CN[C@H](C)c3cncc(F)c3)c2)cc1 ZINC000483147854 996003078 /nfs/dbraw/zinc/00/30/78/996003078.db2.gz SWTOZNYTIGSPHE-OAHLLOKOSA-N -1 3 415.490 3.881 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000483225502 996047358 /nfs/dbraw/zinc/04/73/58/996047358.db2.gz HZUHHOFXEFSSNF-NEPJUHHUSA-N -1 3 421.345 3.978 20 0 HHADHM C[C@H](c1ccccc1C(F)(F)F)[C@H](C)NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483225809 996047374 /nfs/dbraw/zinc/04/73/74/996047374.db2.gz HPRPMOFJYUNPOP-IUCAKERBSA-N -1 3 409.334 3.834 20 0 HHADHM Cc1ccc(NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)cc1-c1ncco1 ZINC000483381090 996140091 /nfs/dbraw/zinc/14/00/91/996140091.db2.gz QJUHXYWXRQHKLC-UHFFFAOYSA-N -1 3 415.453 3.675 20 0 HHADHM COc1cccc(Cl)c1-c1noc(C)c1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000475518819 996196563 /nfs/dbraw/zinc/19/65/63/996196563.db2.gz DUMDZGLMVDGBBU-UHFFFAOYSA-N -1 3 410.821 3.744 20 0 HHADHM COc1cccc(Cl)c1-c1noc(C)c1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000475518819 996196567 /nfs/dbraw/zinc/19/65/67/996196567.db2.gz DUMDZGLMVDGBBU-UHFFFAOYSA-N -1 3 410.821 3.744 20 0 HHADHM O=C(Nc1ccccc1)[C@@H]([N-]S(=O)(=O)c1ccc2ncsc2c1)c1ccccc1 ZINC000475538297 996209026 /nfs/dbraw/zinc/20/90/26/996209026.db2.gz MOMVWHYHQFFIAN-FQEVSTJZSA-N -1 3 423.519 3.955 20 0 HHADHM Cc1ccc(CCN(Cc2ccco2)C(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000483547829 996244321 /nfs/dbraw/zinc/24/43/21/996244321.db2.gz FRJOBWQKZLUHOV-UHFFFAOYSA-N -1 3 407.396 3.679 20 0 HHADHM CC1CCC(OCC(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)CC1 ZINC000475654185 996279793 /nfs/dbraw/zinc/27/97/93/996279793.db2.gz XLKXKFVVTYPRLN-UHFFFAOYSA-N -1 3 408.442 3.611 20 0 HHADHM Cc1cc(F)c(S(=O)(=O)[N-]C2(c3ccc(Cl)cc3)CCOCC2)cc1F ZINC000475760999 996353955 /nfs/dbraw/zinc/35/39/55/996353955.db2.gz HXFOZRNTXXQPOI-UHFFFAOYSA-N -1 3 401.862 3.911 20 0 HHADHM COC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(-c3ccc(C)o3)ccc2C)cc1 ZINC000475823906 996394384 /nfs/dbraw/zinc/39/43/84/996394384.db2.gz GXOKBPBQQNBPFQ-UHFFFAOYSA-N -1 3 415.467 3.916 20 0 HHADHM CCCCc1nc(NC(=O)Cn2c(C)nc3cc(F)c(F)cc32)c(C(=O)OCC)[n-]1 ZINC000484068718 996552512 /nfs/dbraw/zinc/55/25/12/996552512.db2.gz KAYXERDPSHVNAV-UHFFFAOYSA-N -1 3 419.432 3.504 20 0 HHADHM C[C@H](Oc1ccc(Cl)cc1Br)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000484109136 996575251 /nfs/dbraw/zinc/57/52/51/996575251.db2.gz OKVILAYBHVXAFH-QMMMGPOBSA-N -1 3 411.643 3.887 20 0 HHADHM Cc1cccc(N2C(=O)N[C@@H](CCC(=O)Nc3ccc([O-])c(C(F)(F)F)c3)C2=O)c1 ZINC000476130071 996620790 /nfs/dbraw/zinc/62/07/90/996620790.db2.gz CDVDIDVRZULUJB-HNNXBMFYSA-N -1 3 421.375 3.563 20 0 HHADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000484243292 996655051 /nfs/dbraw/zinc/65/50/51/996655051.db2.gz JPVQBIHRSSBDJK-KRWDZBQOSA-N -1 3 412.392 3.555 20 0 HHADHM COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)c1 ZINC000484250954 996659384 /nfs/dbraw/zinc/65/93/84/996659384.db2.gz DUSYLVRSXQOZPF-SFHVURJKSA-N -1 3 414.408 3.801 20 0 HHADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N(Cc1cccs1)C[C@@H]1CCCO1 ZINC000484252055 996659888 /nfs/dbraw/zinc/65/98/88/996659888.db2.gz ADAAAJKAEBNGNX-ZDUSSCGKSA-N -1 3 404.438 3.689 20 0 HHADHM COC(=O)[C@@](C)([N-]S(=O)(=O)Cc1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 ZINC000476180605 996660870 /nfs/dbraw/zinc/66/08/70/996660870.db2.gz WCOGOLKJGXYDNU-KRWDZBQOSA-N -1 3 420.289 3.640 20 0 HHADHM COC(=O)c1cnc(SCC(=O)N[C@H](c2cccs2)c2ccc(C)cc2)[n-]1 ZINC000484563131 996896142 /nfs/dbraw/zinc/89/61/42/996896142.db2.gz MHMGMANZEPZAGG-KRWDZBQOSA-N -1 3 401.513 3.564 20 0 HHADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@H](C)c2cc3ccccc3s2)s1 ZINC000484764612 997107129 /nfs/dbraw/zinc/10/71/29/997107129.db2.gz CAOAFGNFMXPOAO-SNVBAGLBSA-N -1 3 411.526 3.798 20 0 HHADHM Cc1c(C(=O)[N-]c2nnc(CC(F)(F)F)s2)nnn1-c1ccc(F)c(Cl)c1 ZINC000484976763 997343487 /nfs/dbraw/zinc/34/34/87/997343487.db2.gz QJKVDOOYGOSHLZ-UHFFFAOYSA-N -1 3 420.779 3.577 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3cscn3)ccc2C)cc1 ZINC000485012383 997377338 /nfs/dbraw/zinc/37/73/38/997377338.db2.gz FIFRZQBVMBLJHI-UHFFFAOYSA-N -1 3 403.485 3.513 20 0 HHADHM CC(=O)CCc1ccc(OCC(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)cc1 ZINC000485089098 997462160 /nfs/dbraw/zinc/46/21/60/997462160.db2.gz BDQDTQUPKAYTKR-UHFFFAOYSA-N -1 3 404.426 3.757 20 0 HHADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1ccnc(OCC(F)(F)F)c1 ZINC000485102727 997481977 /nfs/dbraw/zinc/48/19/77/997481977.db2.gz GWWQDFQOQMNDGP-UHFFFAOYSA-N -1 3 403.320 3.806 20 0 HHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1ccnc(OCC(F)(F)F)c1 ZINC000485102727 997481981 /nfs/dbraw/zinc/48/19/81/997481981.db2.gz GWWQDFQOQMNDGP-UHFFFAOYSA-N -1 3 403.320 3.806 20 0 HHADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1ccc(Cl)c(N2CCNC2=O)c1 ZINC000485114289 997496597 /nfs/dbraw/zinc/49/65/97/997496597.db2.gz RDZHXAJGXPUTBW-UHFFFAOYSA-N -1 3 422.832 3.653 20 0 HHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1ccc(Cl)c(N2CCNC2=O)c1 ZINC000485114289 997496599 /nfs/dbraw/zinc/49/65/99/997496599.db2.gz RDZHXAJGXPUTBW-UHFFFAOYSA-N -1 3 422.832 3.653 20 0 HHADHM O=C(CCN1C(=O)CCc2ccccc21)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485119068 997502996 /nfs/dbraw/zinc/50/29/96/997502996.db2.gz COHIVEUKAXXKAK-UHFFFAOYSA-N -1 3 401.426 3.526 20 0 HHADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2Cl)c(Cl)c1 ZINC000485147896 997532062 /nfs/dbraw/zinc/53/20/62/997532062.db2.gz IORSKHPBMPSDLU-UHFFFAOYSA-N -1 3 417.270 3.539 20 0 HHADHM O=C(CCc1c2ccccc2[nH]c1-c1ccc(F)cc1)N1CCc2nc[n-]c(=O)c2C1 ZINC000476962550 997578620 /nfs/dbraw/zinc/57/86/20/997578620.db2.gz LOCWDVKJYYRPID-UHFFFAOYSA-N -1 3 416.456 3.987 20 0 HHADHM Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000476970695 997588803 /nfs/dbraw/zinc/58/88/03/997588803.db2.gz HVRVHCVANJIUIN-UHFFFAOYSA-N -1 3 411.465 3.542 20 0 HHADHM O=C(Cc1cccc(OCc2ccc(Cl)cc2)c1)N1CCc2nc[n-]c(=O)c2C1 ZINC000476981284 997601116 /nfs/dbraw/zinc/60/11/16/997601116.db2.gz HMOZHGNUHAPOSW-UHFFFAOYSA-N -1 3 409.873 3.542 20 0 HHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)Nc3cnns3)ccc2C)c(C)c1 ZINC000477022013 997655697 /nfs/dbraw/zinc/65/56/97/997655697.db2.gz CAJOYTRKBPQCNZ-UHFFFAOYSA-N -1 3 416.528 3.825 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([N-]S(=O)(=O)c2c(C)cc(F)cc2C)cc1 ZINC000485420878 997856583 /nfs/dbraw/zinc/85/65/83/997856583.db2.gz YFQVKJITTWKRLI-UHFFFAOYSA-N -1 3 403.435 3.792 20 0 HHADHM COc1ccc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2Br)cc1 ZINC000485442466 997884487 /nfs/dbraw/zinc/88/44/87/997884487.db2.gz SYCZMEJVPSUWIU-UHFFFAOYSA-N -1 3 404.713 3.632 20 0 HHADHM CCc1cc(=O)[n-]c(CSCC(=O)N[C@H](C)c2ccc(Br)cc2)n1 ZINC000477350850 998038955 /nfs/dbraw/zinc/03/89/55/998038955.db2.gz NCXZJCCOONRFTJ-LLVKDONJSA-N -1 3 410.337 3.618 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)N3CCC[C@@H](Oc4ncccc4F)C3)cc2)cc(=O)[n-]1 ZINC000485601282 998048277 /nfs/dbraw/zinc/04/82/77/998048277.db2.gz QUSOMQHGWUAOGS-QGZVFWFLSA-N -1 3 423.448 3.767 20 0 HHADHM O=C(N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1)c1csc2cncn21 ZINC000485610398 998057393 /nfs/dbraw/zinc/05/73/93/998057393.db2.gz OSIHTDGTOMGEPL-UHFFFAOYSA-N -1 3 422.695 3.876 20 0 HHADHM CN1CCc2ccc(C(=O)N3CCC(C(=O)Nc4cc(Cl)ccc4[O-])CC3)cc21 ZINC000477378500 998065874 /nfs/dbraw/zinc/06/58/74/998065874.db2.gz NMJLYOYAHVRXFR-UHFFFAOYSA-N -1 3 413.905 3.529 20 0 HHADHM CCCCOc1ncccc1CNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000485626430 998072455 /nfs/dbraw/zinc/07/24/55/998072455.db2.gz YEOLVWRVDIIDHC-UHFFFAOYSA-N -1 3 408.296 3.728 20 0 HHADHM CC[C@H](CNC(=O)c1ccccc1S[C@@H](C)C(=O)[O-])N1CCc2ccccc2C1 ZINC000485637842 998082860 /nfs/dbraw/zinc/08/28/60/998082860.db2.gz AXGAHKPHQXYEGB-QFBILLFUSA-N -1 3 412.555 3.819 20 0 HHADHM CCCCc1nc(NC(=O)C2CCN(c3nc(C)cs3)CC2)c(C(=O)OCC)[n-]1 ZINC000485663035 998115572 /nfs/dbraw/zinc/11/55/72/998115572.db2.gz ACCMCNUXPCOGQE-UHFFFAOYSA-N -1 3 419.551 3.549 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@H](C)c1ccc2ncsc2c1 ZINC000485664328 998117788 /nfs/dbraw/zinc/11/77/88/998117788.db2.gz AJTIQGPBCNEKLS-CYBMUJFWSA-N -1 3 419.510 3.560 20 0 HHADHM CCCCc1nc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C)c(C(=O)OCC)[n-]1 ZINC000485695618 998157975 /nfs/dbraw/zinc/15/79/75/998157975.db2.gz CQHWDCURHNERSU-UHFFFAOYSA-N -1 3 424.505 3.649 20 0 HHADHM CCCCc1nc(NC(=O)c2ccc(NC(=O)[C@@H]3C[C@H]3C)cc2)c(C(=O)OCC)[n-]1 ZINC000485699927 998163471 /nfs/dbraw/zinc/16/34/71/998163471.db2.gz IZLVUESYWOTXFG-CZUORRHYSA-N -1 3 412.490 3.776 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCCc3ccc(F)cc32)c1 ZINC000477475132 998193969 /nfs/dbraw/zinc/19/39/69/998193969.db2.gz KNVWOIPEZXRUPP-LJQANCHMSA-N -1 3 409.417 3.887 20 0 HHADHM CCOC[C@H]1CCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)ccc2C)C1 ZINC000477613089 998331672 /nfs/dbraw/zinc/33/16/72/998331672.db2.gz VHBONIZPFVIQLB-SFHVURJKSA-N -1 3 416.543 3.603 20 0 HHADHM Cc1c(Br)cccc1-c1noc(-c2ccc([N-]S(C)(=O)=O)cc2)n1 ZINC000485877077 998333188 /nfs/dbraw/zinc/33/31/88/998333188.db2.gz UJTLPWSARACOIZ-UHFFFAOYSA-N -1 3 408.277 3.846 20 0 HHADHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H](c2ccccc2)C(F)(F)F)c(Cl)c1 ZINC000485928804 998377417 /nfs/dbraw/zinc/37/74/17/998377417.db2.gz FCTDWMKZMWGGNK-CYBMUJFWSA-N -1 3 421.824 3.751 20 0 HHADHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](c2ccccc2)C(F)(F)F)c(Cl)c1 ZINC000485928806 998377553 /nfs/dbraw/zinc/37/75/53/998377553.db2.gz FCTDWMKZMWGGNK-ZDUSSCGKSA-N -1 3 421.824 3.751 20 0 HHADHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](c2ccccc2)C(F)(F)F)cc1Cl ZINC000485929171 998377715 /nfs/dbraw/zinc/37/77/15/998377715.db2.gz ZWDOPHFYQHXKOM-AWEZNQCLSA-N -1 3 421.824 3.751 20 0 HHADHM O=c1cc(C=Cc2cccc(I)c2)nc(-c2ccncc2)[n-]1 ZINC000485989323 998431646 /nfs/dbraw/zinc/43/16/46/998431646.db2.gz WXHUNXLGIOMNMC-PLNGDYQASA-N -1 3 401.207 3.607 20 0 HHADHM CCc1cccc([N-]S(=O)(=O)c2c(C)cc(C)c(NS(C)(=O)=O)c2C)c1CC ZINC000486073522 998521616 /nfs/dbraw/zinc/52/16/16/998521616.db2.gz AFZOWOUBJVWIEE-UHFFFAOYSA-N -1 3 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998874548 /nfs/dbraw/zinc/87/45/48/998874548.db2.gz BUECKGBSYMFYQO-QGZVFWFLSA-N -1 3 419.319 3.698 20 0 HHADHM COc1ccc([C@@H]2CCN(C(=O)NCc3ccc([O-])c(Br)c3)C2)cc1 ZINC000486649511 998875280 /nfs/dbraw/zinc/87/52/80/998875280.db2.gz HUYPNHFJOKKSOT-OAHLLOKOSA-N -1 3 405.292 3.862 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)N(Cc1ccco1)C[C@@H]1CCCO1 ZINC000486649993 998875667 /nfs/dbraw/zinc/87/56/67/998875667.db2.gz JASNAJPOCWPPMV-HNNXBMFYSA-N -1 3 409.280 3.639 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)N3CCCC3)c2)n1 ZINC000486675364 998888433 /nfs/dbraw/zinc/88/84/33/998888433.db2.gz WZNYURVOOYVTSA-PMACEKPBSA-N -1 3 422.529 3.779 20 0 HHADHM Cc1ccn(-c2ccccc2CNC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)n1 ZINC000486766212 998930938 /nfs/dbraw/zinc/93/09/38/998930938.db2.gz APQDYSRAOFMSAF-UHFFFAOYSA-N -1 3 414.469 3.973 20 0 HHADHM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3c2CN(CC(C)C)C3)cc1 ZINC000486778525 998936445 /nfs/dbraw/zinc/93/64/45/998936445.db2.gz XXZDRGTXLUALAH-UHFFFAOYSA-N -1 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IDMDGSBHJXCYFC-UHFFFAOYSA-N -1 3 420.506 3.574 20 0 HHADHM C[C@H](O)C[C@H](C[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)c1ccccc1 ZINC000489602583 999800668 /nfs/dbraw/zinc/80/06/68/999800668.db2.gz UBEYRTVVRGJSIR-GXTWGEPZSA-N -1 3 421.412 3.557 20 0 HHADHM Cc1ccc(CS(=O)(=O)[N-][C@H](C(=O)Nc2ccccc2)c2ccccc2)c(F)c1 ZINC000480479745 999808597 /nfs/dbraw/zinc/80/85/97/999808597.db2.gz IPNNEEWUCMUKDM-NRFANRHFSA-N -1 3 412.486 3.934 20 0 HHADHM Cc1nc(C2([N-]S(=O)(=O)Cc3ccc(Cl)c(F)c3)CCCCCC2)no1 ZINC000480482902 999809010 /nfs/dbraw/zinc/80/90/10/999809010.db2.gz SGAUUINYIMDBFA-UHFFFAOYSA-N -1 3 401.891 3.840 20 0 HHADHM C[C@H]([N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)[C@H]1COc2ccccc21 ZINC000489686322 999817741 /nfs/dbraw/zinc/81/77/41/999817741.db2.gz XNAFRCZJVJYAIU-CMPLNLGQSA-N -1 3 405.369 3.567 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC000480589848 999834730 /nfs/dbraw/zinc/83/47/30/999834730.db2.gz WKIYQFTZBALYTE-UHFFFAOYSA-N -1 3 417.697 3.740 20 0 HHADHM CN(Cc1nc(-c2cccnc2)no1)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000489841291 999847672 /nfs/dbraw/zinc/84/76/72/999847672.db2.gz KBVSFVMNPLVCJP-UHFFFAOYSA-N -1 3 420.454 3.734 20 0 HHADHM O=C(COc1ccccc1Br)Nc1cc(Br)ccc1[O-] ZINC000490029840 999881204 /nfs/dbraw/zinc/88/12/04/999881204.db2.gz BQWIRSLIJIJZLN-UHFFFAOYSA-N -1 3 401.054 3.935 20 0 HHADHM CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)[N-]C[C@@H]2CCCCC(F)(F)C2)c1 ZINC000490019148 999878748 /nfs/dbraw/zinc/87/87/48/999878748.db2.gz SIMPCWAWEKNSMN-GFCCVEGCSA-N -1 3 423.453 3.505 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC000490160043 999902061 /nfs/dbraw/zinc/90/20/61/999902061.db2.gz VMGDHKUETHWXRG-NHCUHLMSSA-N -1 3 416.525 3.916 20 0 HHADHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2cccc(Cl)c2Br)o1 ZINC000490536587 999974252 /nfs/dbraw/zinc/97/42/52/999974252.db2.gz SQYGKGGICQFDNR-UHFFFAOYSA-N -1 3 407.717 3.830 20 0 HHADHM CN(C)[C@@H](CNC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-])c1ccccc1 ZINC000490365528 999945309 /nfs/dbraw/zinc/94/53/09/999945309.db2.gz LFAVXUJMXXQNJC-KRWDZBQOSA-N -1 3 418.419 3.629 20 0 HHADHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)[C@@H]1CCCN1C1CC1 ZINC000490419108 999954627 /nfs/dbraw/zinc/95/46/27/999954627.db2.gz SNCJFVJJNSKERD-IBGZPJMESA-N -1 3 419.934 3.706 20 0 HHADHM Cc1nc(S(=O)(=O)[C@@H](C)C(=O)N(C)Cc2ccccc2C)[n-]c1-c1ccccc1 ZINC000490421277 999955141 /nfs/dbraw/zinc/95/51/41/999955141.db2.gz MICZONOXUZUAOG-KRWDZBQOSA-N -1 3 411.527 3.514 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCC[C@H]1c1ccccc1Cl ZINC000490429418 999956259 /nfs/dbraw/zinc/95/62/59/999956259.db2.gz FTTUIEXXLREDFP-IBGZPJMESA-N -1 3 408.889 3.700 20 0 HHADHM C[C@H]([N-]S(=O)(=O)c1ccc(Br)s1)[C@H]1OCCc2sccc21 ZINC000490510668 999969607 /nfs/dbraw/zinc/96/96/07/999969607.db2.gz WCBITTIVECRYDP-ISVAXAHUSA-N -1 3 408.364 3.553 20 0 HHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)[C@@H]1OCCc2sccc21 ZINC000490552529 999976155 /nfs/dbraw/zinc/97/61/55/999976155.db2.gz VQDAWNZULHUNEL-PSLIRLAXSA-N -1 3 409.426 3.887 20 0 HHADHM O=C(Nc1n[n-]c(SCCO)n1)[C@@H](Sc1cc(F)ccc1F)c1ccccc1 ZINC000490565043 999977897 /nfs/dbraw/zinc/97/78/97/999977897.db2.gz JPDFLWRZAVRKEF-HNNXBMFYSA-N -1 3 422.482 3.639 20 0 HHADHM CCc1cnccc1CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C ZINC000490914515 1000022781 /nfs/dbraw/zinc/02/27/81/1000022781.db2.gz SYIAMOZKQQFXDJ-UHFFFAOYSA-N -1 3 423.538 3.992 20 0 HHADHM O=C(c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)N1CCc2cccc(F)c21 ZINC000491154139 1000050860 /nfs/dbraw/zinc/05/08/60/1000050860.db2.gz GNXYXUJNZHLLGE-UHFFFAOYSA-N -1 3 414.433 3.969 20 0 HHADHM CCCc1nnc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)s1 ZINC000491385568 1000070221 /nfs/dbraw/zinc/07/02/21/1000070221.db2.gz LQZTYJLKSRDJDS-UHFFFAOYSA-N -1 3 420.491 3.683 20 0 HHADHM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1)c1nccs1 ZINC000491589001 1000086614 /nfs/dbraw/zinc/08/66/14/1000086614.db2.gz NEUPDDZTURGTJD-OCCSQVGLSA-N -1 3 416.952 3.641 20 0 HHADHM COc1ccc(CN(Cc2ccccc2)C(=O)CCc2c(C)nc(C)[n-]c2=O)cc1 ZINC000491647317 1000091367 /nfs/dbraw/zinc/09/13/67/1000091367.db2.gz LLVQPIODEOWPRC-UHFFFAOYSA-N -1 3 405.498 3.969 20 0 HHADHM O=S(=O)([N-]c1ccccc1-c1nnc[nH]1)c1cccc(Cl)c1Br ZINC000491800456 1000095232 /nfs/dbraw/zinc/09/52/32/1000095232.db2.gz BWFLKBCWGRIUAQ-UHFFFAOYSA-N -1 3 413.684 3.688 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)Nc1ccc(F)cc1OC(C)C ZINC000493415151 1000173316 /nfs/dbraw/zinc/17/33/16/1000173316.db2.gz ZNWYNKBTOMGRSV-UHFFFAOYSA-N -1 3 410.449 3.638 20 0 HHADHM COc1cccc(CC[N-]S(=O)(=O)c2cccc(Cl)c2Br)c1 ZINC000493418925 1000173428 /nfs/dbraw/zinc/17/34/28/1000173428.db2.gz XUPGJILTPLLRCL-UHFFFAOYSA-N -1 3 404.713 3.632 20 0 HHADHM CCOC(=O)[C@@H]1CCCc2sc(NC(=O)CCCc3ccc([O-])c(F)c3)nc21 ZINC000493460312 1000174726 /nfs/dbraw/zinc/17/47/26/1000174726.db2.gz GMGXHHRYADBXTD-CYBMUJFWSA-N -1 3 406.479 3.932 20 0 HHADHM Cc1csc([C@H](C)C[N-]S(=O)(=O)c2cccc(Cl)c2Br)n1 ZINC000493810974 1000194749 /nfs/dbraw/zinc/19/47/49/1000194749.db2.gz AYRXSERUEWLOSN-MRVPVSSYSA-N -1 3 409.758 3.949 20 0 HHADHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2Br)C12CCC2 ZINC000493891189 1000203065 /nfs/dbraw/zinc/20/30/65/1000203065.db2.gz KZPNOTASAFCSFF-OLZOCXBDSA-N -1 3 408.745 3.729 20 0 HHADHM C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)[C@@H]1COc2ccccc21 ZINC000493892241 1000203282 /nfs/dbraw/zinc/20/32/82/1000203282.db2.gz UGIHCLNDNAPTRL-PWSUYJOCSA-N -1 3 416.724 3.946 20 0 HHADHM COCC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)c1ccco1 ZINC000493894703 1000203826 /nfs/dbraw/zinc/20/38/26/1000203826.db2.gz QCCFQNAQINTTFK-NSHDSACASA-N -1 3 408.701 3.752 20 0 HHADHM COCC[C@H](Cc1ccco1)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493896265 1000204067 /nfs/dbraw/zinc/20/40/67/1000204067.db2.gz FDGQWIKAGIQHGD-LLVKDONJSA-N -1 3 422.728 3.622 20 0 HHADHM O=S(=O)([N-]CCC[C@@H]1CCCC[C@@H]1O)c1cccc(Cl)c1Br ZINC000493897678 1000204430 /nfs/dbraw/zinc/20/44/30/1000204430.db2.gz QJVLARVYTBBIKB-AAEUAGOBSA-N -1 3 410.761 3.712 20 0 HHADHM O=S(=O)([N-]Cc1ccn(C2CCCC2)n1)c1cccc(Cl)c1Br ZINC000493928240 1000219816 /nfs/dbraw/zinc/21/98/16/1000219816.db2.gz SYLMJPPGDZZCNM-UHFFFAOYSA-N -1 3 418.744 3.893 20 0 HHADHM O=S(=O)(Cc1cccc(F)c1)[N-]c1cc(-c2nnc3n2CCCCC3)ccc1F ZINC000504536835 1000256391 /nfs/dbraw/zinc/25/63/91/1000256391.db2.gz UWUQTTJPIGWBCN-UHFFFAOYSA-N -1 3 418.469 3.892 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)CC3CC3)ccc2C)cc1 ZINC000494011465 1000266615 /nfs/dbraw/zinc/26/66/15/1000266615.db2.gz JJTXVUVDRXIGQW-OAHLLOKOSA-N -1 3 402.516 3.723 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H](C)CC3CC3)c2)cc1 ZINC000494056716 1000286635 /nfs/dbraw/zinc/28/66/35/1000286635.db2.gz QTEOMNSHKFNCKI-HNNXBMFYSA-N -1 3 402.516 3.723 20 0 HHADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H]3C[C@@H]3c3ccccc3OC(F)(F)F)nc21 ZINC000494081120 1000299152 /nfs/dbraw/zinc/29/91/52/1000299152.db2.gz DFPXJRDYSJNRIO-CHWSQXEVSA-N -1 3 419.359 3.990 20 0 HHADHM O=S(=O)([N-]c1ccccc1F)c1cccc(-c2nc(C3CCOCC3)no2)c1 ZINC000504628438 1000299314 /nfs/dbraw/zinc/29/93/14/1000299314.db2.gz LXNXOOBJKCROAE-UHFFFAOYSA-N -1 3 403.435 3.571 20 0 HHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccccc3C(=O)c3cccs3)nc21 ZINC000494102843 1000309026 /nfs/dbraw/zinc/30/90/26/1000309026.db2.gz BPXZXTHALKXTBZ-UHFFFAOYSA-N -1 3 405.435 3.894 20 0 HHADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H](C)c3ccc(Br)s3)nc21 ZINC000494121852 1000317533 /nfs/dbraw/zinc/31/75/33/1000317533.db2.gz PMNRFEJYKLWZLK-MRVPVSSYSA-N -1 3 408.277 3.916 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)Nc1ccc2cnn(C(C)C)c2c1 ZINC000504690552 1000328204 /nfs/dbraw/zinc/32/82/04/1000328204.db2.gz ANCZGQIIVVSAFR-UHFFFAOYSA-N -1 3 416.485 3.642 20 0 HHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(-c3nc(-c4nc[nH]n4)no3)ccc2C)c(C)c1 ZINC000505051509 1000526360 /nfs/dbraw/zinc/52/63/60/1000526360.db2.gz RPVQXXUVXPFITR-UHFFFAOYSA-N -1 3 424.486 3.556 20 0 HHADHM Cc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)C(=O)NCc1ccc([O-])c(F)c1 ZINC000505081672 1000541539 /nfs/dbraw/zinc/54/15/39/1000541539.db2.gz LPVOEIUSOUNFDI-UHFFFAOYSA-N -1 3 424.476 3.578 20 0 HHADHM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)N1CCCC[C@H]1C(F)F ZINC000505413367 1000756309 /nfs/dbraw/zinc/75/63/09/1000756309.db2.gz AHKDYQAEXRTIOJ-KRWDZBQOSA-N -1 3 412.433 3.886 20 0 HHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000505536807 1000885815 /nfs/dbraw/zinc/88/58/15/1000885815.db2.gz SYGAMJDTYPJVAJ-WBMJQRKESA-N -1 3 416.403 3.856 20 0 HHADHM COc1cc(C(=O)N2CCC[C@H](COc3ccccc3Cl)C2)cc(OC)c1[O-] ZINC000495350405 1000978979 /nfs/dbraw/zinc/97/89/79/1000978979.db2.gz FKSQVMSEHXLXPV-AWEZNQCLSA-N -1 3 405.878 3.994 20 0 HHADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000496085810 1001123013 /nfs/dbraw/zinc/12/30/13/1001123013.db2.gz CIBGAISWEZCWSW-QGZVFWFLSA-N -1 3 404.800 3.673 20 0 HHADHM Cc1ccc([C@@H](C)NC(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000496689765 1001214687 /nfs/dbraw/zinc/21/46/87/1001214687.db2.gz UOTUAFXDQYLGIQ-CYBMUJFWSA-N -1 3 415.342 3.848 20 0 HHADHM COc1c(Cl)cc(NC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)cc1Cl 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401.488 3.698 20 0 HHADHM Cc1cccc(C(C)C)c1NC(=O)CS(=O)(=O)c1nc(CCC2CCCC2)n[n-]1 ZINC000521739069 1010584285 /nfs/dbraw/zinc/58/42/85/1010584285.db2.gz UKTNSZBBPOLZFZ-UHFFFAOYSA-N -1 3 418.563 3.772 20 0 HHADHM Cc1cccc(C(C)C)c1NC(=O)CS(=O)(=O)c1nnc(CCC2CCCC2)[n-]1 ZINC000521739069 1010584296 /nfs/dbraw/zinc/58/42/96/1010584296.db2.gz UKTNSZBBPOLZFZ-UHFFFAOYSA-N -1 3 418.563 3.772 20 0 HHADHM CCc1nc(Cc2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)cs1 ZINC000551437091 1010586075 /nfs/dbraw/zinc/58/60/75/1010586075.db2.gz HZRMMPLHLBAZNE-UHFFFAOYSA-N -1 3 417.292 3.894 20 0 HHADHM CCS[C@H](C)c1noc(CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)n1 ZINC000545074822 1010595712 /nfs/dbraw/zinc/59/57/12/1010595712.db2.gz ZUXZTRBENPVMTD-SECBINFHSA-N -1 3 410.348 3.712 20 0 HHADHM COc1ccc(-c2nc3c(s2)[C@@H](NC(=O)Cc2c(C)nc(C)[n-]c2=O)CCC3)cc1 ZINC000521860386 1010668859 /nfs/dbraw/zinc/66/88/59/1010668859.db2.gz MQQXMVDDOMUKAV-KRWDZBQOSA-N -1 3 424.526 3.667 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2coc(C3CCCCC3)n2)cc1OC 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O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cc(OCC(F)(F)F)c2ccccc2n1 ZINC000536744957 1011929385 /nfs/dbraw/zinc/92/93/85/1011929385.db2.gz ZAKNGUGEGWIICS-UHFFFAOYSA-N -1 3 414.347 3.608 20 0 HHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc(OCC(F)(F)F)c2ccccc2n1 ZINC000536744957 1011929398 /nfs/dbraw/zinc/92/93/98/1011929398.db2.gz ZAKNGUGEGWIICS-UHFFFAOYSA-N -1 3 414.347 3.608 20 0 HHADHM COc1ccc([C@H](OC)[C@H](C)NC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000536762639 1011960574 /nfs/dbraw/zinc/96/05/74/1011960574.db2.gz MKPMGRDACSILHJ-KPZWWZAWSA-N -1 3 423.307 3.739 20 0 HHADHM C[C@@H]1CCCC[C@@H]1CNC(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000536787573 1012003333 /nfs/dbraw/zinc/00/33/33/1012003333.db2.gz ZLFFTQADCQJRIR-VXGBXAGGSA-N -1 3 424.282 3.689 20 0 HHADHM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCCC3)cc2C)cc1 ZINC000551951576 1012031711 /nfs/dbraw/zinc/03/17/11/1012031711.db2.gz BSAKYZGEKGRPDA-UHFFFAOYSA-N -1 3 416.543 3.892 20 0 HHADHM CC(C)(C)[C@@H]1CCCN1C(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000536813582 1012039150 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HDTNIMWNPPIPCL-UHFFFAOYSA-N -1 3 411.893 3.529 20 0 HHADHM CCC(CC)(CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)OC ZINC000552274752 1012287752 /nfs/dbraw/zinc/28/77/52/1012287752.db2.gz XLZTXPQERYQDBJ-UHFFFAOYSA-N -1 3 408.495 3.562 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCc2ccccc2C(F)(F)F)c1 ZINC000541680278 1012513520 /nfs/dbraw/zinc/51/35/20/1012513520.db2.gz BWVOHYRNJULLPS-UHFFFAOYSA-N -1 3 419.359 3.890 20 0 HHADHM COc1cccc(-c2noc([C@H](C)NCc3nc4c5ccccc5oc4c(=O)[n-]3)n2)c1 ZINC000541689295 1012530798 /nfs/dbraw/zinc/53/07/98/1012530798.db2.gz WZVAJDWZZRMKIA-LBPRGKRZSA-N -1 3 417.425 3.991 20 0 HHADHM CCN(CC(F)F)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000541707212 1012557192 /nfs/dbraw/zinc/55/71/92/1012557192.db2.gz YJMFXDAEOIWRFS-UHFFFAOYSA-N -1 3 400.422 3.662 20 0 HHADHM COC(=O)c1sc2[n-]c(CN[C@@H](C)c3c(F)cccc3Cl)nc(=O)c2c1C ZINC000537174754 1012580416 /nfs/dbraw/zinc/58/04/16/1012580416.db2.gz AVHJUKCKLSNUMO-VIFPVBQESA-N -1 3 409.870 3.723 20 0 HHADHM CCOc1cccc([C@@H]2C[C@@H]2[N-]S(=O)(=O)c2cc(F)ccc2Br)c1 ZINC000537181810 1012590791 /nfs/dbraw/zinc/59/07/91/1012590791.db2.gz NBNNBJDWRFWDTF-HOCLYGCPSA-N -1 3 414.296 3.821 20 0 HHADHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N1CCC(c2ccc(Cl)cc2Cl)CC1 ZINC000552609011 1012611193 /nfs/dbraw/zinc/61/11/93/1012611193.db2.gz MVQYGLBEQMKAEV-UHFFFAOYSA-N -1 3 403.265 3.897 20 0 HHADHM CC1CCN([C@H](CNC(=O)N=c2nc(C(C)(C)C)[n-]s2)c2cccs2)CC1 ZINC000523931185 1012659795 /nfs/dbraw/zinc/65/97/95/1012659795.db2.gz JWRJQHBPOFXIRA-CQSZACIVSA-N -1 3 407.609 3.914 20 0 HHADHM CC1CCN([C@@H](CNC(=O)N=c2nc(C(C)(C)C)[n-]s2)c2cccs2)CC1 ZINC000523931184 1012659978 /nfs/dbraw/zinc/65/99/78/1012659978.db2.gz JWRJQHBPOFXIRA-AWEZNQCLSA-N -1 3 407.609 3.914 20 0 HHADHM Cc1csc([C@H](C)C[N-]S(=O)(=O)c2cc(Br)ccc2Cl)n1 ZINC000541828972 1012716748 /nfs/dbraw/zinc/71/67/48/1012716748.db2.gz NINAYUGTWJOWNQ-MRVPVSSYSA-N -1 3 409.758 3.949 20 0 HHADHM CCC(CC)n1nc(C(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)cc1C ZINC000537379324 1012855106 /nfs/dbraw/zinc/85/51/06/1012855106.db2.gz IVOLFKXEGQXPNM-UHFFFAOYSA-N -1 3 408.524 3.575 20 0 HHADHM O=C(NCc1cn(-c2ccccc2)nc1-c1ccncc1)NCc1ccc([O-])c(F)c1 ZINC000524138109 1012923002 /nfs/dbraw/zinc/92/30/02/1012923002.db2.gz YPXOATKMYJVVOJ-UHFFFAOYSA-N -1 3 417.444 3.778 20 0 HHADHM C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)[C@@H]2CCCC[C@H]21 ZINC000542060552 1012977941 /nfs/dbraw/zinc/97/79/41/1012977941.db2.gz HFBQRDMLCLLXOG-FRIZHTMISA-N -1 3 405.495 3.605 20 0 HHADHM O=S(=O)([N-]C1CCN(Cc2ccc(F)c(F)c2)CC1)c1cccc(Cl)c1F ZINC000614861016 1071788328 /nfs/dbraw/zinc/78/83/28/1071788328.db2.gz UUGFVSZJAAVVIY-UHFFFAOYSA-N -1 3 418.868 3.700 20 0 HHADHM O=S(=O)([N-]C[C@@H]1CCN(c2ccccc2F)C1)c1csnc1-c1ccccc1 ZINC001212001325 1071875373 /nfs/dbraw/zinc/87/53/73/1071875373.db2.gz LHLOHAWLVAVBIS-HNNXBMFYSA-N -1 3 417.531 3.754 20 0 HHADHM [O-]c1ccc(Nc2ncc(Br)nc2OCC(F)(F)F)c(F)c1F ZINC001211999889 1071873253 /nfs/dbraw/zinc/87/32/53/1071873253.db2.gz AXRJTRPALCMCQE-UHFFFAOYSA-N -1 3 400.101 3.908 20 0 HHADHM C[S@@](=O)(=NS(=O)(=O)[N-][C@H]1C[C@H](c2ccccc2Cl)C1)c1ccccc1F ZINC001212018374 1071899645 /nfs/dbraw/zinc/89/96/45/1071899645.db2.gz QEIUVJNMHGKIKM-IZEVZFMRSA-N -1 3 416.927 3.716 20 0 HHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3ccc4c(c3)NC(=O)CCN4)nc(=O)c2c1C ZINC000729719366 1071960391 /nfs/dbraw/zinc/96/03/91/1071960391.db2.gz LRBJCDRUEIIDAB-SNVBAGLBSA-N -1 3 412.471 3.686 20 0 HHADHM COCCC1(C[N-]S(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2Cl)CCCC1 ZINC000760603048 1071970117 /nfs/dbraw/zinc/97/01/17/1071970117.db2.gz FESGVJXHPHRLJW-UHFFFAOYSA-N -1 3 424.346 3.655 20 0 HHADHM N[C@@H](CCc1cc(=O)oc2cc([O-])ccc12)c1nc(-c2cccc3ccoc32)no1 ZINC001212097651 1072074929 /nfs/dbraw/zinc/07/49/29/1072074929.db2.gz CJNQFSLHFDWSFC-KRWDZBQOSA-N -1 3 403.394 3.927 20 0 HHADHM Cc1n[n-]c(C)c1S(=O)(=O)Oc1cc(Cl)c(Br)cc1Cl ZINC000758236661 1072194017 /nfs/dbraw/zinc/19/40/17/1072194017.db2.gz XYELCROBFPTGFG-UHFFFAOYSA-N -1 3 400.081 3.864 20 0 HHADHM CC(C)c1ccc(CN(C)C(=O)C[C@@H](C)[N-]S(=O)(=O)c2cccnc2Cl)cc1 ZINC000760291017 1072195797 /nfs/dbraw/zinc/19/57/97/1072195797.db2.gz AZSAZFURBAHARY-OAHLLOKOSA-N -1 3 423.966 3.574 20 0 HHADHM C[C@H](CC(=O)N[C@@H](c1ccccc1)C(C)(C)C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000760399031 1072321945 /nfs/dbraw/zinc/32/19/45/1072321945.db2.gz XPOQZFAGVCFFBB-KDOFPFPSSA-N -1 3 423.966 3.696 20 0 HHADHM O=S(=O)([N-]C1(c2ccc(F)cc2F)CCOCC1)c1cnc(Cl)c(Cl)c1 ZINC000760408550 1072333576 /nfs/dbraw/zinc/33/35/76/1072333576.db2.gz YUDZZYYYFMAJDQ-UHFFFAOYSA-N -1 3 423.268 3.651 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc[nH]3)ccc2C)cc1 ZINC000760422837 1072337007 /nfs/dbraw/zinc/33/70/07/1072337007.db2.gz UJYHTSYQYJIALG-OAHLLOKOSA-N -1 3 413.499 3.624 20 0 HHADHM CC[C@@H](c1ccccc1)N(CC)C(=O)C[C@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000760478195 1072386460 /nfs/dbraw/zinc/38/64/60/1072386460.db2.gz ISYKMLPXDOBBNT-RDJZCZTQSA-N -1 3 423.966 3.792 20 0 HHADHM CCN(CC)c1ccc(NC(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)cc1 ZINC000729837948 1072409898 /nfs/dbraw/zinc/40/98/98/1072409898.db2.gz IAHMXJVKSSWVSM-UHFFFAOYSA-N -1 3 423.485 3.504 20 0 HHADHM O=C(Nc1ccccn1)[C@@H]1CCCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000586752711 1072417225 /nfs/dbraw/zinc/41/72/25/1072417225.db2.gz XMNQZZMELXXDRN-HXUWFJFHSA-N -1 3 415.493 3.869 20 0 HHADHM CN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)c1cccc2ncccc21 ZINC000760640227 1072438778 /nfs/dbraw/zinc/43/87/78/1072438778.db2.gz MOUDASGSBBIHRJ-UHFFFAOYSA-N -1 3 415.490 3.727 20 0 HHADHM C[C@H](CNC(=O)c1ccccc1)c1noc(C(=O)[N-]c2ccc(Cl)c(F)c2)n1 ZINC000571009134 1072545090 /nfs/dbraw/zinc/54/50/90/1072545090.db2.gz HMEYITOGFFSHFS-LLVKDONJSA-N -1 3 402.813 3.648 20 0 HHADHM O=S(=O)([N-]CCOc1ccccc1)c1ccc(Br)cc1C(F)(F)F ZINC000615144363 1072611537 /nfs/dbraw/zinc/61/15/37/1072611537.db2.gz IZZJHJVVNWXSGM-UHFFFAOYSA-N -1 3 424.238 3.825 20 0 HHADHM Cc1ccccc1[C@@H](NC(=O)C[C@H](C)[N-]S(=O)(=O)c1cccnc1Cl)C(C)C ZINC000760577892 1072649781 /nfs/dbraw/zinc/64/97/81/1072649781.db2.gz OIWAXHOTNXFTST-KXBFYZLASA-N -1 3 423.966 3.614 20 0 HHADHM Cc1ccc(C(=O)Nc2ccnn2C)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000588103497 1072824944 /nfs/dbraw/zinc/82/49/44/1072824944.db2.gz FLTXQUMRZGHGSK-UHFFFAOYSA-N -1 3 422.869 3.574 20 0 HHADHM CN1CC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)[C@H]1c1ccc(F)c(F)c1 ZINC000479412016 1072836264 /nfs/dbraw/zinc/83/62/64/1072836264.db2.gz AEJRAMGGAZNKIT-JKSUJKDBSA-N -1 3 421.296 3.995 20 0 HHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CC3(CCCC3)c3ccccc32)ccc1F ZINC001126862901 1072849988 /nfs/dbraw/zinc/84/99/88/1072849988.db2.gz URGQEHKGWUQEMF-UHFFFAOYSA-N -1 3 416.518 3.985 20 0 HHADHM O=C([N-]CCOc1ncccc1Cl)C(F)(F)c1ccccc1Br ZINC001126865196 1072852800 /nfs/dbraw/zinc/85/28/00/1072852800.db2.gz UQGKDNQYZGWYHF-UHFFFAOYSA-N -1 3 405.626 3.785 20 0 HHADHM CC(C)(C)c1ccncc1C[N-]S(=O)(=O)c1cnc(Cl)cc1C(F)(F)F ZINC001212150936 1072854383 /nfs/dbraw/zinc/85/43/83/1072854383.db2.gz IHNJNNPMTWBFLA-UHFFFAOYSA-N -1 3 407.845 3.925 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CCC(C)(C)c2ccccc21 ZINC000555114087 1073169737 /nfs/dbraw/zinc/16/97/37/1073169737.db2.gz JOFKJCUWLPMDPF-UHFFFAOYSA-N -1 3 402.498 3.787 20 0 HHADHM CC(C)C[N-]S(=O)(=O)c1cc(C(=O)OC[C@H]2CCCOC2)c(Cl)cc1Cl ZINC000760721350 1073376684 /nfs/dbraw/zinc/37/66/84/1073376684.db2.gz JNTFTSSMRKKPSR-LBPRGKRZSA-N -1 3 424.346 3.511 20 0 HHADHM C[C@H](c1ccccc1F)N1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)s2)C1=O ZINC000555404519 1073414665 /nfs/dbraw/zinc/41/46/65/1073414665.db2.gz HWSXXMOWKCGOOR-BXUZGUMPSA-N -1 3 416.927 3.571 20 0 HHADHM O=c1[n-]c(SCc2nccn2CC(F)(F)F)nc2c1cnn2-c1ccccc1 ZINC000589971745 1073418652 /nfs/dbraw/zinc/41/86/52/1073418652.db2.gz PEQIVARLHUMGOO-UHFFFAOYSA-N -1 3 406.393 3.572 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]CCc2cnc(SC3CCCC3)nc2)c(F)cc1F ZINC000555429744 1073457334 /nfs/dbraw/zinc/45/73/34/1073457334.db2.gz UTLOQOGTAZFJNS-UHFFFAOYSA-N -1 3 413.515 3.619 20 0 HHADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1ccc(=O)n(-c2cccc(F)c2)c1 ZINC000555467655 1073534319 /nfs/dbraw/zinc/53/43/19/1073534319.db2.gz ZZUSOYAKTNNOML-UHFFFAOYSA-N -1 3 415.384 3.760 20 0 HHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1ccc(=O)n(-c2cccc(F)c2)c1 ZINC000555467655 1073534327 /nfs/dbraw/zinc/53/43/27/1073534327.db2.gz ZZUSOYAKTNNOML-UHFFFAOYSA-N -1 3 415.384 3.760 20 0 HHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N(C)Cc3c(F)cccc3F)nc(=O)c2c1C ZINC000555650596 1073704876 /nfs/dbraw/zinc/70/48/76/1073704876.db2.gz BQICAAXCJSONEV-NSHDSACASA-N -1 3 421.469 3.941 20 0 HHADHM Cc1nsc(NC2CC2)c1C(=O)Nc1cc(I)ccc1[O-] ZINC000590316429 1073746392 /nfs/dbraw/zinc/74/63/92/1073746392.db2.gz UILSHEOSCGIYGX-UHFFFAOYSA-N -1 3 415.256 3.588 20 0 HHADHM Cc1ccccc1-n1ncc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)c1C(F)(F)F ZINC000590496162 1073857506 /nfs/dbraw/zinc/85/75/06/1073857506.db2.gz FNSHOSBRJJYTKF-UHFFFAOYSA-N -1 3 404.274 3.589 20 0 HHADHM Cc1ccccc1-n1ncc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)c1C(F)(F)F ZINC000590496162 1073857519 /nfs/dbraw/zinc/85/75/19/1073857519.db2.gz FNSHOSBRJJYTKF-UHFFFAOYSA-N -1 3 404.274 3.589 20 0 HHADHM Cc1cccnc1C(C)(C)CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000572937155 1073879031 /nfs/dbraw/zinc/87/90/31/1073879031.db2.gz HCGKBKHXYVJZDH-UHFFFAOYSA-N -1 3 414.303 3.702 20 0 HHADHM CC(=O)N1CCN(c2cccc(NC(=O)c3cc([O-])c4ccccc4c3)c2C)C1=O ZINC000646101347 1073937201 /nfs/dbraw/zinc/93/72/01/1073937201.db2.gz GJXHDYGASIOXPT-UHFFFAOYSA-N -1 3 403.438 3.895 20 0 HHADHM CC(=O)c1cc(C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)cs1 ZINC000555889863 1073943379 /nfs/dbraw/zinc/94/33/79/1073943379.db2.gz VPBOWMCBSSNLKN-UHFFFAOYSA-N -1 3 406.407 3.593 20 0 HHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(Cc2nccn2CC(F)(F)F)CC1 ZINC000590783896 1074002872 /nfs/dbraw/zinc/00/28/72/1074002872.db2.gz IBFFEHGUGXMEFP-UHFFFAOYSA-N -1 3 416.831 3.655 20 0 HHADHM O=S(=O)([N-]Cc1ncc(-c2ccccc2)o1)c1ccc(F)cc1C(F)(F)F ZINC000590792758 1074005715 /nfs/dbraw/zinc/00/57/15/1074005715.db2.gz ILTCRRPWRKFHDM-UHFFFAOYSA-N -1 3 400.353 3.978 20 0 HHADHM O=S(=O)([N-]C[C@H]1CCN(c2ccc(F)c(F)c2)C1)c1cc(F)ccc1Cl ZINC000590793974 1074006135 /nfs/dbraw/zinc/00/61/35/1074006135.db2.gz YEMPPFDMGVNDJC-LLVKDONJSA-N -1 3 404.841 3.562 20 0 HHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)Nc2cnc(C3CC3)nc2)CC1 ZINC000590827027 1074023146 /nfs/dbraw/zinc/02/31/46/1074023146.db2.gz AJFXUCSSGVOGOZ-UHFFFAOYSA-N -1 3 415.881 3.596 20 0 HHADHM Cc1ccc(COC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)c(C)n1 ZINC000785417515 1074076651 /nfs/dbraw/zinc/07/66/51/1074076651.db2.gz QYHBEZFFQVMZTP-UHFFFAOYSA-N -1 3 414.458 3.995 20 0 HHADHM CCCCCOc1ccc([C@@H](C)NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1OC ZINC000591098214 1074111240 /nfs/dbraw/zinc/11/12/40/1074111240.db2.gz HEMDOIMYNKDCMO-CQSZACIVSA-N -1 3 410.470 3.639 20 0 HHADHM CN(C)c1ccc(C(=O)N2C[C@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)cc1 ZINC001649005320 1074150293 /nfs/dbraw/zinc/15/02/93/1074150293.db2.gz HEWOITTZLDXICZ-HNNXBMFYSA-N -1 3 405.420 3.565 20 0 HHADHM CSCC[C@H]([N-]S(=O)(=O)c1ccc(C)cc1)c1nc(-c2ccc(O)cc2)no1 ZINC000904307587 1074195276 /nfs/dbraw/zinc/19/52/76/1074195276.db2.gz YZADVGAYDJMZDH-KRWDZBQOSA-N -1 3 419.528 3.523 20 0 HHADHM CCC[C@@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)c1ccccn1 ZINC000591231266 1074198913 /nfs/dbraw/zinc/19/89/13/1074198913.db2.gz GCGNXFQORGITJR-GOSISDBHSA-N -1 3 416.478 3.621 20 0 HHADHM CCOCCC1(C(=O)N2C[C@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)CCC1 ZINC001649006473 1074202493 /nfs/dbraw/zinc/20/24/93/1074202493.db2.gz UTTKNEYHPJYTBU-HNNXBMFYSA-N -1 3 412.452 3.782 20 0 HHADHM C[C@H]1Cc2ccccc2N(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)C1 ZINC000591280096 1074229311 /nfs/dbraw/zinc/22/93/11/1074229311.db2.gz IBBWOLXKLQFTFN-AWEZNQCLSA-N -1 3 413.474 3.794 20 0 HHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]Cc2nc3ccccc3s2)cc1Cl ZINC000591386943 1074261815 /nfs/dbraw/zinc/26/18/15/1074261815.db2.gz KDWIULWEBVPKEB-UHFFFAOYSA-N -1 3 413.883 3.526 20 0 HHADHM CC(C)c1nc(C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)cs1 ZINC000591368095 1074268833 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ZINC000055585661 965939714 /nfs/dbraw/zinc/93/97/14/965939714.db2.gz ISIMKUQZNXOJGK-UHFFFAOYSA-N -1 3 404.532 3.524 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)c(C)c1 ZINC000055621178 965967749 /nfs/dbraw/zinc/96/77/49/965967749.db2.gz GJWAEVMVQXJEPW-GASCZTMLSA-N -1 3 408.495 3.557 20 0 HHADHM C[C@H]1CCCC[C@H]1N(C)C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000031380164 965999296 /nfs/dbraw/zinc/99/92/96/965999296.db2.gz NKSBOPYXEKVLAK-SWLSCSKDSA-N -1 3 407.363 3.699 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]c2ccc(CN3CCOC3=O)cc2)ccc1OC(C)C ZINC000055652608 966000361 /nfs/dbraw/zinc/00/03/61/966000361.db2.gz FBNYVFOKUNUQPK-UHFFFAOYSA-N -1 3 404.488 3.535 20 0 HHADHM O=C(N[C@@H]1CCc2cc(F)ccc21)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000055657482 966004685 /nfs/dbraw/zinc/00/46/85/966004685.db2.gz LTUNRKSJLZOJMT-QGZVFWFLSA-N -1 3 417.437 3.511 20 0 HHADHM C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])c1ccccc1C(F)(F)F ZINC000055672475 966010843 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HHADHM CN(C)C(=O)c1cccc(CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)c1 ZINC000060422611 966137969 /nfs/dbraw/zinc/13/79/69/966137969.db2.gz XDNCNZZABHVPSQ-UHFFFAOYSA-N -1 3 405.483 3.515 20 0 HHADHM O=C(NCCNC(=S)Nc1ccccc1Oc1ccccc1)c1ccc([O-])cc1 ZINC000060433196 966142097 /nfs/dbraw/zinc/14/20/97/966142097.db2.gz IVQOKZXEYSSOAJ-UHFFFAOYSA-N -1 3 407.495 3.901 20 0 HHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)ccc1F ZINC000031874128 966142622 /nfs/dbraw/zinc/14/26/22/966142622.db2.gz TWQWLRVPHYOINI-UHFFFAOYSA-N -1 3 404.385 3.784 20 0 HHADHM Cc1nc(C)c(CCC(=O)N2CCC(C(=O)c3ccc(CC(C)C)cc3)CC2)c(=O)[n-]1 ZINC000060439503 966143862 /nfs/dbraw/zinc/14/38/62/966143862.db2.gz YKGHTVAELUVODH-UHFFFAOYSA-N -1 3 423.557 3.639 20 0 HHADHM O=C(NC[C@@H]1CC1(Cl)Cl)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000031939320 966155496 /nfs/dbraw/zinc/15/54/96/966155496.db2.gz GIJRBGGOSXHPLH-LBPRGKRZSA-N -1 3 417.289 3.550 20 0 HHADHM O=C([N-]c1cc(F)ccc1F)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O ZINC000060525885 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3.553 20 0 HHADHM O=S(=O)([N-]C[C@H]1CCOc2ccccc21)c1c(F)cccc1OC(F)(F)F ZINC000553831357 1013644369 /nfs/dbraw/zinc/64/43/69/1013644369.db2.gz XDLRFYYUUNUPFI-LLVKDONJSA-N -1 3 405.369 3.569 20 0 HHADHM CCOc1ccc([C@H]2CCCN2C(=O)COC(=O)c2cc(-c3ccco3)[n-]n2)cc1 ZINC000061142645 966380855 /nfs/dbraw/zinc/38/08/55/966380855.db2.gz PJLNAXXDOQUYNH-LJQANCHMSA-N -1 3 409.442 3.589 20 0 HHADHM CCOc1ccc([C@H]2CCCN2C(=O)COC(=O)c2cc(-c3ccco3)n[n-]2)cc1 ZINC000061142645 966380871 /nfs/dbraw/zinc/38/08/71/966380871.db2.gz PJLNAXXDOQUYNH-LJQANCHMSA-N -1 3 409.442 3.589 20 0 HHADHM C[C@H]1CCC[C@H](NC(=O)c2cc(S(=O)(=O)[N-]C3CC3)c(Cl)cc2Cl)C1 ZINC000033182983 966387641 /nfs/dbraw/zinc/38/76/41/966387641.db2.gz UOHRULZEHOMYIV-JQWIXIFHSA-N -1 3 405.347 3.743 20 0 HHADHM CC(C)Cc1ccc(C(=O)COC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000061217417 966399257 /nfs/dbraw/zinc/39/92/57/966399257.db2.gz UDLBFJLWHULSEW-HXUWFJFHSA-N -1 3 409.482 3.621 20 0 HHADHM COc1cc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc(OC)c1OCc1ccccc1 ZINC000036744244 966448762 /nfs/dbraw/zinc/44/87/62/966448762.db2.gz BPSDASPSQGTTHS-UHFFFAOYSA-N -1 3 422.363 3.672 20 0 HHADHM COc1cc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc(OC)c1OCc1ccccc1 ZINC000036744244 966448767 /nfs/dbraw/zinc/44/87/67/966448767.db2.gz BPSDASPSQGTTHS-UHFFFAOYSA-N -1 3 422.363 3.672 20 0 HHADHM Cc1ccc(C(=O)NCc2ccno2)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000542744684 1013656289 /nfs/dbraw/zinc/65/62/89/1013656289.db2.gz GVXJLCQBTRPAMM-UHFFFAOYSA-N -1 3 423.853 3.506 20 0 HHADHM O=S(=O)([N-]CCc1cc(F)cc2c1OCOC2)c1cccc(Cl)c1Cl ZINC000041629826 966606723 /nfs/dbraw/zinc/60/67/23/966606723.db2.gz FFTDXSJKGFKOIK-UHFFFAOYSA-N -1 3 406.262 3.520 20 0 HHADHM O=C(N[C@H]1C[C@@H]1c1ccccc1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000062300377 966643751 /nfs/dbraw/zinc/64/37/51/966643751.db2.gz OJMRDESURCJFIJ-NQIIRXRSSA-N -1 3 410.470 3.912 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000042091724 966714483 /nfs/dbraw/zinc/71/44/83/966714483.db2.gz RJKCAZIZRYMEPU-NSHDSACASA-N -1 3 417.296 3.867 20 0 HHADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000542797179 1013684724 /nfs/dbraw/zinc/68/47/24/1013684724.db2.gz RFGRHZCPRJUERK-ONGXEEELSA-N -1 3 418.284 3.792 20 0 HHADHM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C(C)C)cc1)c1ccc(OC(F)F)cc1 ZINC000538121616 1013683208 /nfs/dbraw/zinc/68/32/08/1013683208.db2.gz XCHIGEXEUZRDSA-QGZVFWFLSA-N -1 3 413.442 3.604 20 0 HHADHM C[C@H](OC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000063640582 966914405 /nfs/dbraw/zinc/91/44/05/966914405.db2.gz OYDSUCYHZLGCFQ-NSHDSACASA-N -1 3 403.378 3.875 20 0 HHADHM CCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2C)cc1 ZINC000063849030 966976533 /nfs/dbraw/zinc/97/65/33/966976533.db2.gz DLNDAOFZYOXHGG-UHFFFAOYSA-N -1 3 402.925 3.601 20 0 HHADHM Cc1ccccc1CCNC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000043478153 966977153 /nfs/dbraw/zinc/97/71/53/966977153.db2.gz URWDSDAWSPXHQI-UHFFFAOYSA-N -1 3 415.921 3.957 20 0 HHADHM O=C1CCCN1c1ccc(F)c([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c1 ZINC000063912715 966996170 /nfs/dbraw/zinc/99/61/70/966996170.db2.gz LLBHTCAMKFCDLD-UHFFFAOYSA-N -1 3 420.359 3.911 20 0 HHADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2C)cc1 ZINC000043751498 967025841 /nfs/dbraw/zinc/02/58/41/967025841.db2.gz SPCHQNGYTMBTED-UHFFFAOYSA-N -1 3 400.294 3.584 20 0 HHADHM COc1cc(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)ccc1OC(F)F ZINC000064359276 967154658 /nfs/dbraw/zinc/15/46/58/967154658.db2.gz OHIMZYFUUSZYTD-UHFFFAOYSA-N -1 3 401.369 3.608 20 0 HHADHM COC(=O)CCOc1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)cc1 ZINC000064479241 967205239 /nfs/dbraw/zinc/20/52/39/967205239.db2.gz BMHDZXNAADOJAV-UHFFFAOYSA-N -1 3 407.488 3.525 20 0 HHADHM Cc1ccc(-n2ncc(C(=O)[N-]NC(=O)c3cccc4cccnc43)c2C(C)C)cc1 ZINC000064501129 967215622 /nfs/dbraw/zinc/21/56/22/967215622.db2.gz ONGJERHUMVUCCX-UHFFFAOYSA-N -1 3 413.481 3.927 20 0 HHADHM CC(C)(C)[C@@H]1CCc2sc(C(=O)NNC(=O)c3cc(=O)c4ccccc4[n-]3)cc2C1 ZINC000064742527 967280065 /nfs/dbraw/zinc/28/00/65/967280065.db2.gz URDKAVXCJWJAHD-CQSZACIVSA-N -1 3 423.538 3.815 20 0 HHADHM COc1cc2c(cc1F)[n-]cc(C(=O)Nc1cccc(-c3ccnc(C)n3)c1)c2=O ZINC000538152137 1013712179 /nfs/dbraw/zinc/71/21/79/1013712179.db2.gz SMVUCIMWXLNOQN-UHFFFAOYSA-N -1 3 404.401 3.694 20 0 HHADHM Cc1ccc(NC(=O)COC2CCCC2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000045084381 967349018 /nfs/dbraw/zinc/34/90/18/967349018.db2.gz MSJQCAVPDYMOPE-UHFFFAOYSA-N -1 3 406.479 3.833 20 0 HHADHM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(Oc4ccncc4)cc3)cc2C[C@@H]1C ZINC000065079882 967368457 /nfs/dbraw/zinc/36/84/57/967368457.db2.gz NVYABYGVSVTLDH-HNNXBMFYSA-N -1 3 423.494 3.972 20 0 HHADHM O=C(Nc1cc(-c2ccc(Br)s2)[nH]n1)c1c[n-]c2ccccc2c1=O ZINC000065104801 967377459 /nfs/dbraw/zinc/37/74/59/967377459.db2.gz CIUSNUAGWXALPT-UHFFFAOYSA-N -1 3 415.272 3.995 20 0 HHADHM Cc1[nH]c2ccc(CNC(=O)c3ccc(F)c(S(=O)(=O)[N-]C(C)C)c3)cc2c1C ZINC000065118187 967384912 /nfs/dbraw/zinc/38/49/12/967384912.db2.gz QWTJMYRZIOJVLG-UHFFFAOYSA-N -1 3 417.506 3.541 20 0 HHADHM O=C(NCc1ccc(C(F)(F)F)cc1)N[N-]C(=O)c1ccccc1Br ZINC000045303977 967413557 /nfs/dbraw/zinc/41/35/57/967413557.db2.gz LVAPTMIKMCJFNG-UHFFFAOYSA-N -1 3 416.197 3.612 20 0 HHADHM Cc1ccc(Cl)c(O[C@@H](C)C(=O)N[N-]C(=O)c2ccccc2Br)c1 ZINC000045585134 967503559 /nfs/dbraw/zinc/50/35/59/967503559.db2.gz BJNYGGOKRGDTTB-NSHDSACASA-N -1 3 411.683 3.639 20 0 HHADHM Cc1ccccc1CN(C)C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000045674395 967530090 /nfs/dbraw/zinc/53/00/90/967530090.db2.gz LBCHQAHORVGTBF-UHFFFAOYSA-N -1 3 415.342 3.629 20 0 HHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000553983793 1013736878 /nfs/dbraw/zinc/73/68/78/1013736878.db2.gz KEWOQBHSKNBQHA-IRXDYDNUSA-N -1 3 416.510 3.843 20 0 HHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000553983793 1013736886 /nfs/dbraw/zinc/73/68/86/1013736886.db2.gz KEWOQBHSKNBQHA-IRXDYDNUSA-N -1 3 416.510 3.843 20 0 HHADHM O=C(NCc1ccc(CN2CCc3ccccc32)cc1)N[N-]C(=O)c1ccccc1F ZINC000046122631 967668801 /nfs/dbraw/zinc/66/88/01/967668801.db2.gz LFRAOPICCDJCQH-UHFFFAOYSA-N -1 3 418.472 3.533 20 0 HHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(Cc2ccco2)C2CCCC2)ccc1F ZINC000046212373 967699717 /nfs/dbraw/zinc/69/97/17/967699717.db2.gz XVBIZNKKMHTHPY-UHFFFAOYSA-N -1 3 408.495 3.690 20 0 HHADHM COc1cc[n-]c(=NNC(=O)c2ccccc2CSc2nc3ccccc3o2)n1 ZINC000046365515 967765878 /nfs/dbraw/zinc/76/58/78/967765878.db2.gz AVFWSLOKFOHNFB-UHFFFAOYSA-N -1 3 407.455 3.676 20 0 HHADHM COc1cc[n-]c(=NNC(=O)c2ccccc2-c2ncc(-c3ccc(C)cc3)o2)n1 ZINC000046364471 967766033 /nfs/dbraw/zinc/76/60/33/967766033.db2.gz LWPDXCPKLMVFNP-UHFFFAOYSA-N -1 3 401.426 3.873 20 0 HHADHM Cc1ccc(C(=O)[C@@H](OC(=O)Cc2c(C)nc(C)[n-]c2=O)c2ccc(C)cc2)cc1 ZINC000046413153 967790818 /nfs/dbraw/zinc/79/08/18/967790818.db2.gz MPRBKEVVQCOZLN-QHCPKHFHSA-N -1 3 404.466 3.713 20 0 HHADHM C[C@@H]1CC[C@]2(CCN(C(=O)c3cc(S(=O)(=O)[N-]c4ccccc4F)c[nH]3)C2)C1 ZINC000542906055 1013747815 /nfs/dbraw/zinc/74/78/15/1013747815.db2.gz NWVSRJONFCKOPB-VLIAUNLRSA-N -1 3 405.495 3.607 20 0 HHADHM Cc1cc(C)[n-]c(=NNC(=O)N[C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)n1 ZINC000046497538 967827562 /nfs/dbraw/zinc/82/75/62/967827562.db2.gz GBNASZDRNMTMKK-LJQANCHMSA-N -1 3 419.464 3.650 20 0 HHADHM C[C@@H]1CCc2c(sc3[n-]c(CS(=O)(=O)c4ccc(Cl)cc4)nc(=O)c23)C1 ZINC000046702896 967928934 /nfs/dbraw/zinc/92/89/34/967928934.db2.gz LXNIFDGDEKEWQZ-SNVBAGLBSA-N -1 3 408.932 3.737 20 0 HHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3ccc(N(C)C)nc3)c2)cc1 ZINC000046771864 967960243 /nfs/dbraw/zinc/96/02/43/967960243.db2.gz AXVQZKCKHXAXQG-UHFFFAOYSA-N -1 3 424.526 3.818 20 0 HHADHM O=C(NCCc1cccc2ccccc21)N[N-]C(=O)c1ccccc1Br ZINC000046775766 967960943 /nfs/dbraw/zinc/96/09/43/967960943.db2.gz VOVCVRLFOJNOBO-UHFFFAOYSA-N -1 3 412.287 3.789 20 0 HHADHM O=C(CCCOc1cccc2ccccc21)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000046813572 967976813 /nfs/dbraw/zinc/97/68/13/967976813.db2.gz FPFNKGJTMDSPIU-UHFFFAOYSA-N -1 3 418.493 3.689 20 0 HHADHM O=S(=O)([N-]C[C@@H](c1ccco1)N1CCCCC1)c1ccc(Br)s1 ZINC000047031370 968034897 /nfs/dbraw/zinc/03/48/97/968034897.db2.gz ATXISIWLEUKRLT-LBPRGKRZSA-N -1 3 419.366 3.609 20 0 HHADHM CCOc1ccc([C@H](NC(=O)NNC(=O)c2ccccc2[O-])c2ccccc2)cc1 ZINC000047069200 968045993 /nfs/dbraw/zinc/04/59/93/968045993.db2.gz PGOOSQKOTGJWOV-OAQYLSRUSA-N -1 3 405.454 3.525 20 0 HHADHM CCCCOc1ccc([C@@H](C)NC(=O)N[N-]C(=O)c2ccccc2F)cc1OC ZINC000047159635 968069524 /nfs/dbraw/zinc/06/95/24/968069524.db2.gz KYTJWSJQHCRXOW-CQSZACIVSA-N -1 3 403.454 3.718 20 0 HHADHM Cc1cccc(NC(=O)[C@@H]2CCCN(Cc3nc4c5ccccc5oc4c(=O)[n-]3)C2)n1 ZINC000047260779 968109136 /nfs/dbraw/zinc/10/91/36/968109136.db2.gz HAWNDOICLQJSBP-OAHLLOKOSA-N -1 3 417.469 3.636 20 0 HHADHM O=C(c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)N(Cc1cccs1)C1CC1 ZINC000047298499 968129053 /nfs/dbraw/zinc/12/90/53/968129053.db2.gz RBTISBPCWOLEQS-UHFFFAOYSA-N -1 3 419.503 3.821 20 0 HHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCc3ccc(C)nc3)c2)cc1 ZINC000047557190 968236639 /nfs/dbraw/zinc/23/66/39/968236639.db2.gz RFKIMQCYNQODTP-UHFFFAOYSA-N -1 3 409.511 3.738 20 0 HHADHM CN(Cc1ccccc1C(F)(F)F)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000048032263 968393928 /nfs/dbraw/zinc/39/39/28/968393928.db2.gz NBXNLPLMMZTDRP-KRWDZBQOSA-N -1 3 406.404 3.674 20 0 HHADHM O=C(c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000048163120 968465959 /nfs/dbraw/zinc/46/59/59/968465959.db2.gz VRVWHVYOXHVCSN-HUUCEWRRSA-N -1 3 405.495 3.607 20 0 HHADHM Cc1cc(C(=O)N[N-]C(=O)c2ccccc2F)c2ccc(Br)cc2n1 ZINC000048185267 968475189 /nfs/dbraw/zinc/47/51/89/968475189.db2.gz HSDUJFFLYSYRRH-UHFFFAOYSA-N -1 3 402.223 3.520 20 0 HHADHM C[C@H](c1ccccc1)N(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000048227772 968493214 /nfs/dbraw/zinc/49/32/14/968493214.db2.gz RHRJUTRPOKWAHZ-CQSZACIVSA-N -1 3 401.463 3.788 20 0 HHADHM Cn1cc(C(=O)N[N-]C(=O)c2ccc(Br)cc2Cl)c2ccccc21 ZINC000048338902 968523501 /nfs/dbraw/zinc/52/35/01/968523501.db2.gz BRWDDMCXKALWJW-UHFFFAOYSA-N -1 3 406.667 3.669 20 0 HHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000065788111 968644345 /nfs/dbraw/zinc/64/43/45/968644345.db2.gz LGPVQKMFYPGGEC-UHFFFAOYSA-N -1 3 403.360 3.786 20 0 HHADHM Cc1cccc(COc2ccc(CNC(=O)Nc3ccc4c(c3)C(=O)[N-]C4=O)cc2)c1 ZINC000065790310 968645596 /nfs/dbraw/zinc/64/55/96/968645596.db2.gz DRECAFQHRVBARS-UHFFFAOYSA-N -1 3 415.449 3.779 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NCCc2ccc(Cl)s2)cc1OC ZINC000065799781 968649527 /nfs/dbraw/zinc/64/95/27/968649527.db2.gz MGDSSQBQRVZHIT-UHFFFAOYSA-N -1 3 417.940 3.536 20 0 HHADHM CN(Cc1ccccc1)c1ccc(NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000065816894 968660325 /nfs/dbraw/zinc/66/03/25/968660325.db2.gz DKOROIBZUXKUAI-UHFFFAOYSA-N -1 3 400.438 3.851 20 0 HHADHM CN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1ccc(C(C)(C)C)cc1 ZINC000065861491 968685920 /nfs/dbraw/zinc/68/59/20/968685920.db2.gz CTGXMVWTVJJQEY-UHFFFAOYSA-N -1 3 404.507 3.841 20 0 HHADHM CCCN1CCN(c2ccc(NC(=O)c3cc(=O)c4ccccc4[n-]3)cc2Cl)CC1 ZINC000065875669 968694965 /nfs/dbraw/zinc/69/49/65/968694965.db2.gz HUGFAPKAIDIHIK-UHFFFAOYSA-N -1 3 424.932 3.966 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000554142781 1013819263 /nfs/dbraw/zinc/81/92/63/1013819263.db2.gz NTVLRTRBQUZGAI-INIZCTEOSA-N -1 3 414.246 3.605 20 0 HHADHM CCCCc1nc2cc(NC(=O)Cc3c(C)nc(-c4cccnc4)[n-]c3=O)ccc2[nH]1 ZINC000065903969 968707453 /nfs/dbraw/zinc/70/74/53/968707453.db2.gz LZADYPNCHYCCQK-UHFFFAOYSA-N -1 3 416.485 3.540 20 0 HHADHM O=S(=O)([N-][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1ccc(Br)s1 ZINC000538283727 1013820647 /nfs/dbraw/zinc/82/06/47/1013820647.db2.gz VKQRZHRLVQMHSZ-BXUZGUMPSA-N -1 3 424.288 3.597 20 0 HHADHM CC(C)CN(CC(C)C)C(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000068876941 968794470 /nfs/dbraw/zinc/79/44/70/968794470.db2.gz DMMXDHVTGKBZDU-UHFFFAOYSA-N -1 3 413.547 3.754 20 0 HHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000078515299 969002075 /nfs/dbraw/zinc/00/20/75/969002075.db2.gz XSMKDONFZMYSAD-ZIAGYGMSSA-N -1 3 416.396 3.958 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(C)n(-c4cc(C)on4)c3C)c2)n1 ZINC000097361748 969129149 /nfs/dbraw/zinc/12/91/49/969129149.db2.gz JOBSHNSHYORRPZ-UHFFFAOYSA-N -1 3 417.469 3.956 20 0 HHADHM CC(C)c1cc(NC(=O)c2cc(S(=O)(=O)[N-]C3CC3)c(Cl)cc2Cl)n[nH]1 ZINC000097544881 969154482 /nfs/dbraw/zinc/15/44/82/969154482.db2.gz UDJDKFJYJHRTSJ-UHFFFAOYSA-N -1 3 417.318 3.533 20 0 HHADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)CCN1C ZINC000097602717 969177458 /nfs/dbraw/zinc/17/74/58/969177458.db2.gz OFNQNCOKTADRPK-SCZZXKLOSA-N -1 3 416.168 3.517 20 0 HHADHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)CCN1C ZINC000097602718 969177629 /nfs/dbraw/zinc/17/76/29/969177629.db2.gz OFNQNCOKTADRPK-WPRPVWTQSA-N -1 3 416.168 3.517 20 0 HHADHM CCOC(=O)CSc1nnc([N-]C(=O)c2cc(F)c(Cl)cc2Cl)s1 ZINC000104907237 969211186 /nfs/dbraw/zinc/21/11/86/969211186.db2.gz OQYAXEVOUWRILS-UHFFFAOYSA-N -1 3 410.279 3.892 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)Cc2cccc(C(F)(F)F)c2)cc1OC ZINC000108548790 969393181 /nfs/dbraw/zinc/39/31/81/969393181.db2.gz LFAYKROAZMMGAT-UHFFFAOYSA-N -1 3 416.421 3.657 20 0 HHADHM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(CN3C(=O)CSC3=O)cc2)cc1 ZINC000109687327 969549030 /nfs/dbraw/zinc/54/90/30/969549030.db2.gz GLGXPFUYQAZTEY-UHFFFAOYSA-N -1 3 404.513 3.806 20 0 HHADHM CSC[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)C1 ZINC000554278509 1013890858 /nfs/dbraw/zinc/89/08/58/1013890858.db2.gz JBEYKRMJOQQTDD-HNNXBMFYSA-N -1 3 422.547 3.842 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3c(C)nn(Cc4ccccc4)c3C)nc2)n1 ZINC000111105925 969778628 /nfs/dbraw/zinc/77/86/28/969778628.db2.gz LLUBAFCSQZMFFL-UHFFFAOYSA-N -1 3 414.513 3.868 20 0 HHADHM CCc1ccc([O-])c(C(=O)Nc2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)c1 ZINC000111113558 969779998 /nfs/dbraw/zinc/77/99/98/969779998.db2.gz KBIFNYUGSIGACA-UHFFFAOYSA-N -1 3 417.512 3.702 20 0 HHADHM CCc1cc(=O)[n-]c(SCc2ccc(CSc3nc(CC)cc(=O)[nH]3)cc2)n1 ZINC000111895656 969812303 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/nfs/dbraw/zinc/99/12/11/969991211.db2.gz SISSOIHGDIABSO-UHFFFAOYSA-N -1 3 417.453 3.843 20 0 HHADHM COCCOC(=O)c1sc2[n-]c(C(Cl)=Cc3ccc(F)cc3)nc(=O)c2c1C ZINC000229903211 970133373 /nfs/dbraw/zinc/13/33/73/970133373.db2.gz WSHYHQUKYURVGT-UKTHLTGXSA-N -1 3 422.865 3.972 20 0 HHADHM CC[C@@H](CNC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1)c1ccccc1 ZINC000144781879 970241761 /nfs/dbraw/zinc/24/17/61/970241761.db2.gz YJZVGWKVOCAURS-HNNXBMFYSA-N -1 3 405.520 3.772 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CCc3sccc3[C@@H]2C)cc1OC ZINC000145014724 970250101 /nfs/dbraw/zinc/25/01/01/970250101.db2.gz IHYCFBJYTSDELG-LBPRGKRZSA-N -1 3 409.533 3.670 20 0 HHADHM Cc1ccc(Cc2cnc(NC(=O)NNC(=O)c3ccccc3[O-])s2)cc1Cl ZINC000146475641 970293690 /nfs/dbraw/zinc/29/36/90/970293690.db2.gz GMXQPGGLCQLNSA-UHFFFAOYSA-N -1 3 416.890 3.868 20 0 HHADHM Cc1ccc([C@@H](NCc2nc(C)ccc2[O-])c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000237896511 970390499 /nfs/dbraw/zinc/39/04/99/970390499.db2.gz BIQJWYJBJAOQIS-QHCPKHFHSA-N -1 3 410.539 3.995 20 0 HHADHM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)N1CC[C@H](CC2CC2)C1 ZINC000554639362 1013996656 /nfs/dbraw/zinc/99/66/56/1013996656.db2.gz DUSGWFRSBLHTMG-MRXNPFEDSA-N -1 3 402.491 3.889 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)COCc3ccccc3)cc2)cc1 ZINC000248014160 970498997 /nfs/dbraw/zinc/49/89/97/970498997.db2.gz KDILKBGUDWENAP-UHFFFAOYSA-N -1 3 410.495 3.951 20 0 HHADHM C[C@@H]([N-]S(=O)(=O)c1cc(Br)cnc1Cl)c1ccc(F)c(F)c1 ZINC000316116143 972648163 /nfs/dbraw/zinc/64/81/63/972648163.db2.gz OAHPPUJATRBROR-SSDOTTSWSA-N -1 3 411.655 3.815 20 0 HHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccc(Br)c(Cl)c1 ZINC000316910305 972653912 /nfs/dbraw/zinc/65/39/12/972653912.db2.gz VJVOXIHBWZZXBL-UHFFFAOYSA-N -1 3 403.685 3.726 20 0 HHADHM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cc(Cl)cnc2Br)c1 ZINC000319013312 972668028 /nfs/dbraw/zinc/66/80/28/972668028.db2.gz NYQHRRJOTMXMRX-UHFFFAOYSA-N -1 3 403.685 3.891 20 0 HHADHM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2cc(F)ccc2Br)c1C ZINC000325716626 972734148 /nfs/dbraw/zinc/73/41/48/972734148.db2.gz MNTDVTGFFGUCBL-UHFFFAOYSA-N -1 3 419.272 3.511 20 0 HHADHM O=S(=O)([N-]Cc1ccc(OCC(F)(F)F)cc1)c1cnc(Cl)c(Cl)c1 ZINC000327128728 972754865 /nfs/dbraw/zinc/75/48/65/972754865.db2.gz SPDKCOHEOXMPBY-UHFFFAOYSA-N -1 3 415.220 3.808 20 0 HHADHM O=S(=O)([N-]c1ccccc1-c1nnc[nH]1)c1ccc(Cl)cc1Br ZINC000410378624 973977070 /nfs/dbraw/zinc/97/70/70/973977070.db2.gz CRWLQYXASDDCAX-UHFFFAOYSA-N -1 3 413.684 3.688 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC[C@H]2CC[C@H](c3ccccc3)O2)c1 ZINC000426134536 974255758 /nfs/dbraw/zinc/25/57/58/974255758.db2.gz VTBGNODTWFGDSG-DYESRHJHSA-N -1 3 421.453 3.591 20 0 HHADHM O=S(=O)([N-]c1ccc2n[nH]nc2c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000426304998 974384504 /nfs/dbraw/zinc/38/45/04/974384504.db2.gz VEXBCHIPDLXFFM-UHFFFAOYSA-N -1 3 410.299 3.796 20 0 HHADHM O=S(=O)([N-]c1ccc2[nH]nnc2c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000426304998 974384511 /nfs/dbraw/zinc/38/45/11/974384511.db2.gz VEXBCHIPDLXFFM-UHFFFAOYSA-N -1 3 410.299 3.796 20 0 HHADHM C[C@@H]1CC[C@](CNCc2ncc(Br)cc2Br)(CC(=O)[O-])C1 ZINC000426631702 974573480 /nfs/dbraw/zinc/57/34/80/974573480.db2.gz YYNMKDKSLHASRW-MEBBXXQBSA-N -1 3 420.145 3.977 20 0 HHADHM COc1cc(Br)c(CNC[C@]2(CC(=O)[O-])CC[C@@H](C)C2)c(OC)c1 ZINC000426641852 974577855 /nfs/dbraw/zinc/57/78/55/974577855.db2.gz CCLJPZUNJPZHQS-KZULUSFZSA-N -1 3 400.313 3.837 20 0 HHADHM CC(C)(C)c1nn(-c2ccccc2)cc1CNC[C@@H](Oc1ccc(F)cc1)C(=O)[O-] ZINC000426645125 974580369 /nfs/dbraw/zinc/58/03/69/974580369.db2.gz YWLBLHXOBPQUML-HXUWFJFHSA-N -1 3 411.477 3.931 20 0 HHADHM CC(C)(CCNCc1ncc(Br)cc1Br)CCC(=O)[O-] ZINC000426658788 974587092 /nfs/dbraw/zinc/58/70/92/974587092.db2.gz YHOJQAHSSRBVBI-UHFFFAOYSA-N -1 3 408.134 3.977 20 0 HHADHM COc1cccc(CSC[C@@H](NCc2nc3cc(Cl)ccc3n2C)C(=O)[O-])c1 ZINC000426718387 974613455 /nfs/dbraw/zinc/61/34/55/974613455.db2.gz WDKFTNBEDGTMBD-QGZVFWFLSA-N -1 3 419.934 3.712 20 0 HHADHM COc1cccc(CSC[C@@H](NCc2cc(OC)cc3c2O[C@H](C)C3)C(=O)[O-])c1 ZINC000426719746 974614108 /nfs/dbraw/zinc/61/41/08/974614108.db2.gz JHFCRTDXTGLOCS-JLTOFOAXSA-N -1 3 417.527 3.503 20 0 HHADHM Cc1nc(COc2ccc(CN[C@@H](C(=O)[O-])c3ccc(Cl)c(F)c3)cc2)no1 ZINC000426721440 974615807 /nfs/dbraw/zinc/61/58/07/974615807.db2.gz BRKCLCYSSQZSND-GOSISDBHSA-N -1 3 405.813 3.665 20 0 HHADHM O=C([O-])CC[C@@H](Cc1ccccc1)NCc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000426725994 974617849 /nfs/dbraw/zinc/61/78/49/974617849.db2.gz GJVSBVMBVOPBSG-INIZCTEOSA-N -1 3 402.857 3.626 20 0 HHADHM COc1cccc(CSC[C@@H](NCc2ccccc2Br)C(=O)[O-])c1 ZINC000426747469 974632457 /nfs/dbraw/zinc/63/24/57/974632457.db2.gz PMBBCZXZAOUGED-QGZVFWFLSA-N -1 3 410.333 3.934 20 0 HHADHM Cc1c(F)cccc1-c1ccc(CN[C@@H](Cn2ccc(C(F)(F)F)n2)C(=O)[O-])o1 ZINC000426762152 974640516 /nfs/dbraw/zinc/64/05/16/974640516.db2.gz HUCWUHRNJSNKPC-HNNXBMFYSA-N -1 3 411.355 3.852 20 0 HHADHM O=C([O-])[C@H](CN1CCCCC1)NCc1ccc(-c2cccc(Br)c2)o1 ZINC000426763752 974642448 /nfs/dbraw/zinc/64/24/48/974642448.db2.gz TYKGRAOMBFINMP-KRWDZBQOSA-N -1 3 407.308 3.738 20 0 HHADHM O=C([O-])[C@H](NCc1ccc(OC[C@@H]2CCCO2)cc1)c1ccc(Br)cc1 ZINC000426805127 974673376 /nfs/dbraw/zinc/67/33/76/974673376.db2.gz ZDCDQKXTHOGVKW-RBUKOAKNSA-N -1 3 420.303 3.922 20 0 HHADHM CCOc1cc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)cc(Br)c1OC ZINC000426810492 974677296 /nfs/dbraw/zinc/67/72/96/974677296.db2.gz ZUZWAGMEJLYQBP-INIZCTEOSA-N -1 3 412.255 3.911 20 0 HHADHM CCC[C@@H](C)C[C@@H](NCc1ncc(Br)cc1Br)C(=O)[O-] ZINC000426819571 974685037 /nfs/dbraw/zinc/68/50/37/974685037.db2.gz IKMFNVNUDVVLCF-BXKDBHETSA-N -1 3 408.134 3.976 20 0 HHADHM Cc1cc(CN[C@@H](CC(=O)[O-])c2cccc(Br)c2)ccc1-n1cncn1 ZINC000426826592 974691954 /nfs/dbraw/zinc/69/19/54/974691954.db2.gz FNNIIRIMQVRMSI-KRWDZBQOSA-N -1 3 415.291 3.644 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1[C@H](C)C[C@H](c2ccccc2)[C@H]1C ZINC000426954982 974776324 /nfs/dbraw/zinc/77/63/24/974776324.db2.gz PINSUUXEOBRSPU-CDMIOBSGSA-N -1 3 416.525 3.866 20 0 HHADHM CCOC(=O)c1ccc(NC(=O)c2c(F)ccc(Br)c2F)c([O-])c1 ZINC000426993535 974806102 /nfs/dbraw/zinc/80/61/02/974806102.db2.gz WWEKAUXUJPBAIH-UHFFFAOYSA-N -1 3 400.175 3.862 20 0 HHADHM C[C@@H](Oc1cccc(Cl)c1)c1nnc([N-]Cc2cnnn2Cc2ccccc2)o1 ZINC000427282822 975023463 /nfs/dbraw/zinc/02/34/63/975023463.db2.gz VMDCLLHNKZIVQO-CQSZACIVSA-N -1 3 410.865 4.115 20 0 HHADHM C[C@H](Oc1cccc(Cl)c1)c1nnc([N-]Cc2cnnn2Cc2ccccc2)o1 ZINC000427282821 975023549 /nfs/dbraw/zinc/02/35/49/975023549.db2.gz VMDCLLHNKZIVQO-AWEZNQCLSA-N -1 3 410.865 4.115 20 0 HHADHM COCCC1(CNC(=O)c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)ccc2C)CC1 ZINC000427572343 975192731 /nfs/dbraw/zinc/19/27/31/975192731.db2.gz FZLIREBMIDFPQG-UHFFFAOYSA-N -1 3 416.543 3.651 20 0 HHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000427609130 975210181 /nfs/dbraw/zinc/21/01/81/975210181.db2.gz LHRUWABYPLITQW-UHFFFAOYSA-N -1 3 409.393 3.669 20 0 HHADHM O=C(Nc1ccc(Cl)cc1[O-])[C@H]1CC[C@H](C(=O)Nc2ccc(Cl)cc2O)O1 ZINC000427651399 975225251 /nfs/dbraw/zinc/22/52/51/975225251.db2.gz PQZFVHRQLNNKHS-HZPDHXFCSA-N -1 3 411.241 3.529 20 0 HHADHM Cc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)C[C@H](C)c3ccccc3)n2)cc1F ZINC000427790317 975290082 /nfs/dbraw/zinc/29/00/82/975290082.db2.gz RPDPOHRXYYQMAZ-GJZGRUSLSA-N -1 3 403.479 3.968 20 0 HHADHM Cc1cc(-c2noc([C@@H](C)[N-]S(=O)(=O)C[C@@H](C)c3ccccc3)n2)ccc1F ZINC000427793206 975291852 /nfs/dbraw/zinc/29/18/52/975291852.db2.gz CJFFAFAFYZYQFW-HUUCEWRRSA-N -1 3 403.479 3.968 20 0 HHADHM O=S(=O)([N-]C[C@H](CCO)c1ccccc1)c1cc(Br)ccc1Cl ZINC000427810072 975302562 /nfs/dbraw/zinc/30/25/62/975302562.db2.gz DAGRGSBAZSYQRY-ZDUSSCGKSA-N -1 3 418.740 3.547 20 0 HHADHM O=S(=O)([N-]C[C@@H](CCO)c1ccccc1)c1cc(Br)ccc1Cl ZINC000427810071 975302604 /nfs/dbraw/zinc/30/26/04/975302604.db2.gz DAGRGSBAZSYQRY-CYBMUJFWSA-N -1 3 418.740 3.547 20 0 HHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H]1CCO[C@]2(CCSC2)C1 ZINC000427811483 975303340 /nfs/dbraw/zinc/30/33/40/975303340.db2.gz MQRASICZIAVIQY-SUMWQHHRSA-N -1 3 401.937 3.728 20 0 HHADHM COC(=O)c1cc(C)nc2nc(SCc3ncccc3C(F)(F)F)[n-]c(=O)c21 ZINC000428053439 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CCOC(=O)c1sc([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)nc1C ZINC000429874116 977149063 /nfs/dbraw/zinc/14/90/63/977149063.db2.gz UGEYBUXFHZNAHU-VIFPVBQESA-N -1 3 423.343 3.975 20 0 HHADHM COCC[C@H](Cc1ccco1)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429884359 977159269 /nfs/dbraw/zinc/15/92/69/977159269.db2.gz BJLXZEOGLPJRRV-GFCCVEGCSA-N -1 3 422.728 3.622 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@H]3CC34CCCC4)c2)cc1 ZINC000430236456 977409347 /nfs/dbraw/zinc/40/93/47/977409347.db2.gz AXPVYMARPFMAFD-FQEVSTJZSA-N -1 3 414.527 3.867 20 0 HHADHM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(CN3CCOCC3)c2)cc1 ZINC000430353071 977497646 /nfs/dbraw/zinc/49/76/46/977497646.db2.gz LVENMEPKDDVQSY-UHFFFAOYSA-N -1 3 424.950 3.760 20 0 HHADHM C[C@H](c1cnn(C)c1)N(C)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430569259 977636680 /nfs/dbraw/zinc/63/66/80/977636680.db2.gz XPDYGEFCSKQLIZ-SECBINFHSA-N -1 3 423.698 3.511 20 0 HHADHM CCC[C@H]1CN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)CCO1 ZINC000430587604 977646530 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HHADHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1ncc(Br)cn1 ZINC000431624727 978393475 /nfs/dbraw/zinc/39/34/75/978393475.db2.gz XCUULGHTOZVLPL-ZETCQYMHSA-N -1 3 411.108 3.585 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C3C[C@H]4CC[C@@H](C3)C4=O)cc2)cc1 ZINC000431646107 978405885 /nfs/dbraw/zinc/40/58/85/978405885.db2.gz UNIONAMADHBLNH-SJPCQFCGSA-N -1 3 412.511 3.740 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NC[C@@H](c2ccccc2)C2CC2)cc1OC ZINC000431710161 978450993 /nfs/dbraw/zinc/45/09/93/978450993.db2.gz IUVNXXSFSGFSNW-SFHVURJKSA-N -1 3 417.531 3.772 20 0 HHADHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2cc3c(cc2Cl)CCC3=O)c1 ZINC000432072328 978669097 /nfs/dbraw/zinc/66/90/97/978669097.db2.gz RDCJSWGMVPGUJS-UHFFFAOYSA-N -1 3 411.838 3.586 20 0 HHADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)CCC3=O)cc1Cl ZINC000432072885 978669380 /nfs/dbraw/zinc/66/93/80/978669380.db2.gz BJYJAYQEVQSSGV-UHFFFAOYSA-N -1 3 414.266 3.710 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N(C)Cc1ccc(F)c(Cl)c1 ZINC000432280020 978741537 /nfs/dbraw/zinc/74/15/37/978741537.db2.gz MFQAKMGGMICDKG-UHFFFAOYSA-N -1 3 414.868 3.524 20 0 HHADHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]CC[C@@H](c1ccccc1)C(F)(F)F ZINC000432280609 978742049 /nfs/dbraw/zinc/74/20/49/978742049.db2.gz SDBVSJQQNILBIP-AWEZNQCLSA-N -1 3 419.421 3.698 20 0 HHADHM CN(C)[C@H]1CCOc2c([N-]S(=O)(=O)c3cccc(C(F)(F)F)c3)cccc21 ZINC000432469108 978830620 /nfs/dbraw/zinc/83/06/20/978830620.db2.gz MYEPXVOFAMZHHN-INIZCTEOSA-N -1 3 400.422 3.891 20 0 HHADHM CN(C)[C@@H]1CCOc2c([N-]S(=O)(=O)c3cccc(OC(F)(F)F)c3)cccc21 ZINC000432491307 978845640 /nfs/dbraw/zinc/84/56/40/978845640.db2.gz RCJQMIGMANJPBW-MRXNPFEDSA-N -1 3 416.421 3.771 20 0 HHADHM C[C@H](SC[C@H]1CCS(=O)(=O)C1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000432517384 978859895 /nfs/dbraw/zinc/85/98/95/978859895.db2.gz GBIMWAGZRZMXTM-WDEREUQCSA-N -1 3 410.542 3.886 20 0 HHADHM COC(=O)c1cnc(SCc2csc(N(C(C)=O)c3ccc(F)cc3)n2)[n-]1 ZINC000432667332 978929529 /nfs/dbraw/zinc/92/95/29/978929529.db2.gz HTXIOBYMLZJJAW-UHFFFAOYSA-N -1 3 406.464 3.769 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(Cn3cncn3)cc2)cc1C(C)C ZINC000432771498 978969499 /nfs/dbraw/zinc/96/94/99/978969499.db2.gz XEAGRALDUZNOCM-UHFFFAOYSA-N -1 3 400.504 3.568 20 0 HHADHM CCCN(CCC)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(N(C)C)cc2)cc1 ZINC000432780800 978972801 /nfs/dbraw/zinc/97/28/01/978972801.db2.gz OZUGUEMOYDBLCE-UHFFFAOYSA-N -1 3 403.548 3.816 20 0 HHADHM Cc1oc2nc(CSc3nnc([N-]c4ccccc4F)s3)nc(N)c2c1C ZINC000433381779 979266200 /nfs/dbraw/zinc/26/62/00/979266200.db2.gz LNBCDBWSXZQEMM-UHFFFAOYSA-N -1 3 402.480 4.448 20 0 HHADHM O=S(=O)([N-]C[C@H]1CCCN(c2ccccc2)C1)c1ccc(Br)s1 ZINC000433445664 979310750 /nfs/dbraw/zinc/31/07/50/979310750.db2.gz ZEMODYWQWVMNFP-CYBMUJFWSA-N -1 3 415.378 3.706 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)Nc3ccc(CC)c(F)c3)c2)[n-]1 ZINC000433575317 979396348 /nfs/dbraw/zinc/39/63/48/979396348.db2.gz SEBOQPGXHDTCRH-UHFFFAOYSA-N -1 3 411.437 3.672 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)Nc3ccc(CC)c(F)c3)c2)n[n-]1 ZINC000433575317 979396356 /nfs/dbraw/zinc/39/63/56/979396356.db2.gz SEBOQPGXHDTCRH-UHFFFAOYSA-N -1 3 411.437 3.672 20 0 HHADHM COc1ccccc1O[C@@H](C)C[N-]S(=O)(=O)c1cc(C)c(Br)s1 ZINC000433814045 979594537 /nfs/dbraw/zinc/59/45/37/979594537.db2.gz GIRZIFSMTQIHNG-NSHDSACASA-N -1 3 420.350 3.573 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)Nc3ccc4ccoc4c3)c2)[n-]1 ZINC000433837283 979616341 /nfs/dbraw/zinc/61/63/41/979616341.db2.gz DGZNKIDEAVXRDY-UHFFFAOYSA-N -1 3 405.414 3.716 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)Nc3ccc4ccoc4c3)c2)n[n-]1 ZINC000433837283 979616364 /nfs/dbraw/zinc/61/63/64/979616364.db2.gz DGZNKIDEAVXRDY-UHFFFAOYSA-N -1 3 405.414 3.716 20 0 HHADHM CCCCc1nc2ccc([N-]S(=O)(=O)c3cc4c(cc3Cl)NC(=O)C4)cc2[nH]1 ZINC000433844622 979621870 /nfs/dbraw/zinc/62/18/70/979621870.db2.gz SRMKYQRADBCEEO-UHFFFAOYSA-N -1 3 418.906 3.854 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccccc2Oc2ccccc2)c(C)o1 ZINC000433944157 979703312 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3 406.486 3.963 20 0 HHADHM C[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1Br)COCc1ccccc1 ZINC000435208002 980722536 /nfs/dbraw/zinc/72/25/36/980722536.db2.gz OVJFHZULKUSIKY-CYBMUJFWSA-N -1 3 416.312 3.719 20 0 HHADHM O=S(=O)([N-][C@H](c1ccccc1)[C@H]1CCCO1)c1cc(F)ccc1Br ZINC000435210019 980723590 /nfs/dbraw/zinc/72/35/90/980723590.db2.gz ZVBJDMZDBMIHDB-NVXWUHKLSA-N -1 3 414.296 3.787 20 0 HHADHM CO[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1Br)c1cccc(Cl)c1 ZINC000435213006 980725281 /nfs/dbraw/zinc/72/52/81/980725281.db2.gz KHEFZRXHCUFOOW-AWEZNQCLSA-N -1 3 422.703 3.908 20 0 HHADHM C[C@@H](COc1ccc(F)cc1F)[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000435229422 980736149 /nfs/dbraw/zinc/73/61/49/980736149.db2.gz HPDSIECQHZLTEY-VIFPVBQESA-N -1 3 424.238 3.612 20 0 HHADHM CS[C@@H]1CCCCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)C1 ZINC000435379077 980827553 /nfs/dbraw/zinc/82/75/53/980827553.db2.gz ATYHNFNJAMYMJX-MRXNPFEDSA-N -1 3 422.547 3.984 20 0 HHADHM COc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)CCO2 ZINC000435423280 980855423 /nfs/dbraw/zinc/85/54/23/980855423.db2.gz SJAFNDAWWYQKKP-AWEZNQCLSA-N -1 3 406.262 3.943 20 0 HHADHM COc1cc(OC)c(OC)cc1C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435428408 980857915 /nfs/dbraw/zinc/85/79/15/980857915.db2.gz QQOFAPRJNBPMGC-UHFFFAOYSA-N -1 3 424.277 3.637 20 0 HHADHM CN(C)C(=O)C[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)c1ccccc1 ZINC000435448461 980868537 /nfs/dbraw/zinc/86/85/37/980868537.db2.gz WJDRQLDPHGQEEG-OAHLLOKOSA-N -1 3 419.305 3.630 20 0 HHADHM C[C@@H]1[C@@H](c2ccccc2)c2ccccc2CCN1C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000435980875 981129624 /nfs/dbraw/zinc/12/96/24/981129624.db2.gz UJUSVCIGRNICEG-MWTRTKDXSA-N -1 3 410.473 3.789 20 0 HHADHM Cn1cc(CN(Cc2ccc(Cl)cc2)C(=O)c2cc(=O)c3ccccc3[n-]2)cn1 ZINC000436004249 981146933 /nfs/dbraw/zinc/14/69/33/981146933.db2.gz UQDJZJRTLZAACD-UHFFFAOYSA-N -1 3 406.873 3.758 20 0 HHADHM O=c1cc(C(F)(F)F)nc(CS(=O)(=O)Cc2nc(C3CCCCC3)cs2)[n-]1 ZINC000436099949 981200177 /nfs/dbraw/zinc/20/01/77/981200177.db2.gz MIRPLNCLGFTYQH-UHFFFAOYSA-N -1 3 421.466 3.820 20 0 HHADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1Cl ZINC000436159537 981227299 /nfs/dbraw/zinc/22/72/99/981227299.db2.gz YPVNOUITIUTXNL-UHFFFAOYSA-N -1 3 401.843 3.854 20 0 HHADHM COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(F)c(-c3nc[nH]n3)c2)cc1Cl ZINC000436478509 981393671 /nfs/dbraw/zinc/39/36/71/981393671.db2.gz PVGXFIZRRWTKLU-UHFFFAOYSA-N -1 3 417.249 3.727 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)N[C@H](C)c2nc(-c3ccccc3)cs2)c([O-])c1 ZINC000436486864 981396759 /nfs/dbraw/zinc/39/67/59/981396759.db2.gz OCTAQDPWMXZQTG-OAHLLOKOSA-N -1 3 409.511 3.821 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)N[C@@H](C)c2nc(-c3ccccc3)cs2)c([O-])c1 ZINC000436486856 981396773 /nfs/dbraw/zinc/39/67/73/981396773.db2.gz OCTAQDPWMXZQTG-HNNXBMFYSA-N -1 3 409.511 3.821 20 0 HHADHM O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436485794 981396883 /nfs/dbraw/zinc/39/68/83/981396883.db2.gz LSVPVWDJLDSEKQ-FQEVSTJZSA-N -1 3 413.905 3.664 20 0 HHADHM O=C(Cc1csc2ccc(Cl)cc12)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436487810 981397242 /nfs/dbraw/zinc/39/72/42/981397242.db2.gz QSYZKUSSSRWGDS-UHFFFAOYSA-N -1 3 414.914 3.787 20 0 HHADHM CCOC(=O)c1sc2ccsc2c1CNC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000436489836 981397920 /nfs/dbraw/zinc/39/79/20/981397920.db2.gz YXYFBSKEWARPCL-UHFFFAOYSA-N -1 3 418.496 3.734 20 0 HHADHM O=C(N[C@@H](CC(=O)N1CCCC[C@H]1C(F)F)c1ccccc1)c1ccc([O-])cc1 ZINC000436492989 981399091 /nfs/dbraw/zinc/39/90/91/981399091.db2.gz KMYOGRZUKRLBLN-OALUTQOASA-N -1 3 402.441 3.900 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC[C@](F)(c3ccccc3C)C2)c1 ZINC000436512761 981410601 /nfs/dbraw/zinc/41/06/01/981410601.db2.gz NGUQIERGGGAHAS-HSZRJFAPSA-N -1 3 423.444 3.960 20 0 HHADHM Oc1ccc(OCc2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)cc1 ZINC000436521731 981415219 /nfs/dbraw/zinc/41/52/19/981415219.db2.gz GYHVLAHBBXIZIQ-UHFFFAOYSA-N -1 3 414.219 3.569 20 0 HHADHM COC1CCC(N(C)C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC1 ZINC000436522515 981415858 /nfs/dbraw/zinc/41/58/58/981415858.db2.gz LYCIMICKYRVDFH-KITAHSCOSA-N -1 3 410.514 3.669 20 0 HHADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1ccc2[nH]c(=O)[nH]c2n1 ZINC000436522413 981416007 /nfs/dbraw/zinc/41/60/07/981416007.db2.gz UDIYRGLTSTUXBB-UHFFFAOYSA-N -1 3 403.423 3.898 20 0 HHADHM O=C(NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436524381 981417538 /nfs/dbraw/zinc/41/75/38/981417538.db2.gz HEPAALKJVKOQEX-QFIPXVFZSA-N -1 3 414.505 3.762 20 0 HHADHM Cn1cnc2cc(NC(=O)C[C@H](NC(=O)c3ccc([O-])cc3)c3ccccc3)ccc21 ZINC000436525984 981418242 /nfs/dbraw/zinc/41/82/42/981418242.db2.gz HWYFEUBYYJLTAN-FQEVSTJZSA-N -1 3 414.465 3.779 20 0 HHADHM O=C(Cc1ccc(Cl)cc1Cl)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436525220 981418465 /nfs/dbraw/zinc/41/84/65/981418465.db2.gz FJLZMCZMESPWHG-UHFFFAOYSA-N -1 3 407.297 3.663 20 0 HHADHM CC[C@@H](C)Oc1cccc(NC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000436526334 981419011 /nfs/dbraw/zinc/41/90/11/981419011.db2.gz FMPOMDKNOFLXOJ-MRXNPFEDSA-N -1 3 411.502 3.996 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCC[C@]2(CCCOC2)C1 ZINC000436529442 981421763 /nfs/dbraw/zinc/42/17/63/981421763.db2.gz ROHHOPDMWVSBOV-DHLKQENFSA-N -1 3 422.525 3.673 20 0 HHADHM CC[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436531712 981424249 /nfs/dbraw/zinc/42/42/49/981424249.db2.gz DNJXBKVAEZMVNV-KDOFPFPSSA-N -1 3 400.500 3.614 20 0 HHADHM CC(C)COc1cccc(NC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000436533947 981425055 /nfs/dbraw/zinc/42/50/55/981425055.db2.gz ZHHZPTGWPQQLRK-UHFFFAOYSA-N -1 3 411.502 3.853 20 0 HHADHM CCCS(=O)(=O)Nc1cc(NC(=O)c2cc3c(cc2[O-])CCCC3)c(F)cc1F ZINC000436536168 981426631 /nfs/dbraw/zinc/42/66/31/981426631.db2.gz PHLQTNRABRGNGT-UHFFFAOYSA-N -1 3 424.469 3.953 20 0 HHADHM COCCN(C(=O)c1cc2c(cc1[O-])OCO2)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000436538480 981428076 /nfs/dbraw/zinc/42/80/76/981428076.db2.gz JTBHGLALYJRPLB-GFCCVEGCSA-N -1 3 411.376 3.990 20 0 HHADHM COCCN(C(=O)c1cc2c(cc1[O-])OCO2)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000436538485 981428142 /nfs/dbraw/zinc/42/81/42/981428142.db2.gz JTBHGLALYJRPLB-LBPRGKRZSA-N -1 3 411.376 3.990 20 0 HHADHM O=C(Nc1cccc(C[S@](=O)C2CCOCC2)c1)c1cc2c(cc1[O-])CCCC2 ZINC000436538786 981428720 /nfs/dbraw/zinc/42/87/20/981428720.db2.gz LFSRXANXRQJAKB-LJAQVGFWSA-N -1 3 413.539 3.951 20 0 HHADHM C[C@@H]1CN(CC2CCN(C(=O)c3ccc(Cl)c(Cl)c3[O-])CC2)C[C@H](C)O1 ZINC000436539369 981428848 /nfs/dbraw/zinc/42/88/48/981428848.db2.gz OOSANNRNAJCGTG-BETUJISGSA-N -1 3 401.334 3.660 20 0 HHADHM O=C(Nc1cccc(C[S@@](=O)Cc2ccccc2)c1)c1cc2c(cc1[O-])OCO2 ZINC000436551507 981437467 /nfs/dbraw/zinc/43/74/67/981437467.db2.gz ZWFYRVMTOLKEQI-LJAQVGFWSA-N -1 3 409.463 3.822 20 0 HHADHM CCc1noc(CC)c1CNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436557305 981442571 /nfs/dbraw/zinc/44/25/71/981442571.db2.gz QVHJUACVRNROSW-OAQYLSRUSA-N -1 3 421.497 3.683 20 0 HHADHM COc1cc(C)cc(CNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC000436558376 981443292 /nfs/dbraw/zinc/44/32/92/981443292.db2.gz VAJJNCCMHZTWKT-QHCPKHFHSA-N -1 3 418.493 3.887 20 0 HHADHM CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436560420 981443956 /nfs/dbraw/zinc/44/39/56/981443956.db2.gz FQLPFCRAHQRQOU-VABKMULXSA-N -1 3 424.541 3.963 20 0 HHADHM CN(C)C(=O)Cc1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])cc1 ZINC000436559162 981444156 /nfs/dbraw/zinc/44/41/56/981444156.db2.gz YNNMSLLADFWKIK-UHFFFAOYSA-N -1 3 404.466 3.854 20 0 HHADHM O=C(Nc1ccc(OC2CCCC2)cc1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436561657 981445622 /nfs/dbraw/zinc/44/56/22/981445622.db2.gz HBWYCLMHBUWQSU-UHFFFAOYSA-N -1 3 409.486 3.704 20 0 HHADHM Cc1nnc(NC(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2[O-])[nH]1 ZINC000436562919 981446335 /nfs/dbraw/zinc/44/63/35/981446335.db2.gz CCNBXKJYXXDSAZ-UHFFFAOYSA-N -1 3 406.229 3.630 20 0 HHADHM CC(C)C[C@@H]1C[C@H](NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCO1 ZINC000436562713 981446404 /nfs/dbraw/zinc/44/64/04/981446404.db2.gz NVXHPGAWRQIIEW-YMPZKCBVSA-N -1 3 424.541 3.963 20 0 HHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000436563742 981447166 /nfs/dbraw/zinc/44/71/66/981447166.db2.gz QATYXDFJBOMNIF-OAQYLSRUSA-N -1 3 402.450 3.888 20 0 HHADHM CN(C)CCN(C[C@H]1CCCO1)C(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000436568891 981450234 /nfs/dbraw/zinc/45/02/34/981450234.db2.gz XCUUVKYOHGTCCJ-GOSISDBHSA-N -1 3 402.922 3.895 20 0 HHADHM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cc2ccccc2cc1[O-] ZINC000436575716 981455074 /nfs/dbraw/zinc/45/50/74/981455074.db2.gz OUSWDVWDXWPWRC-UHFFFAOYSA-N -1 3 405.498 3.948 20 0 HHADHM Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cnc1N1CCCC[C@@H]1C ZINC000436576476 981455083 /nfs/dbraw/zinc/45/50/83/981455083.db2.gz LMTBCLDFDNQEPK-PXNSSMCTSA-N -1 3 422.529 3.718 20 0 HHADHM CCc1ccc([C@H](NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)C(C)C)cc1 ZINC000436575671 981455202 /nfs/dbraw/zinc/45/52/02/981455202.db2.gz JLGZDIGCFQSTAN-JOCHJYFZSA-N -1 3 409.530 3.819 20 0 HHADHM CNC(=O)c1cc(Oc2cc(C)ccc2NC(=O)c2cc(OC)ccc2[O-])ccn1 ZINC000436577689 981455718 /nfs/dbraw/zinc/45/57/18/981455718.db2.gz OZVGTDZIKXGSQH-UHFFFAOYSA-N -1 3 407.426 3.508 20 0 HHADHM CN(C)CC(=O)Nc1ccc(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])cc1 ZINC000436591566 981463878 /nfs/dbraw/zinc/46/38/78/981463878.db2.gz XIIUGSUKDLBLRR-UHFFFAOYSA-N -1 3 405.454 3.937 20 0 HHADHM C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])c1ccc(OC(F)(F)F)cc1 ZINC000436596884 981466163 /nfs/dbraw/zinc/46/61/63/981466163.db2.gz SELRCPCYIXDLFY-GUYCJALGSA-N -1 3 422.403 3.773 20 0 HHADHM C[C@H](c1ccncc1)N1CCC(NC(=O)c2ccc(Br)cc2[O-])CC1 ZINC000436605682 981470379 /nfs/dbraw/zinc/47/03/79/981470379.db2.gz PTEWKTFQURGVNP-CYBMUJFWSA-N -1 3 404.308 3.505 20 0 HHADHM O=C(Nc1ccc(OC(F)F)c(Cl)c1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436604706 981470423 /nfs/dbraw/zinc/47/04/23/981470423.db2.gz OFRJRHMEXJQFBX-CQSZACIVSA-N -1 3 410.804 3.890 20 0 HHADHM C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436609418 981472345 /nfs/dbraw/zinc/47/23/45/981472345.db2.gz LDRXTEJFVGQIPA-KSSFIOAISA-N -1 3 420.431 3.763 20 0 HHADHM COC(=O)c1ccc(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cc1 ZINC000436609729 981472867 /nfs/dbraw/zinc/47/28/67/981472867.db2.gz WBTKKDVBQTUUMY-OAQYLSRUSA-N -1 3 418.449 3.679 20 0 HHADHM O=C(NCc1cccc(C(=O)NC2CC2)c1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436612188 981474148 /nfs/dbraw/zinc/47/41/48/981474148.db2.gz LYBRKBCFTFITLC-UHFFFAOYSA-N -1 3 400.478 3.805 20 0 HHADHM CCCCOc1ccc(C(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)c([O-])c1 ZINC000436617408 981476584 /nfs/dbraw/zinc/47/65/84/981476584.db2.gz IAGAJPTVXWXWFH-LRDDRELGSA-N -1 3 409.529 3.670 20 0 HHADHM Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436616436 981476697 /nfs/dbraw/zinc/47/66/97/981476697.db2.gz IADVNQDYZXEPNZ-OAQYLSRUSA-N -1 3 405.498 3.731 20 0 HHADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000436621489 981479248 /nfs/dbraw/zinc/47/92/48/981479248.db2.gz DMOHJCGWVAXQGU-JOCHJYFZSA-N -1 3 417.509 3.884 20 0 HHADHM O=C(CCCOc1ccccc1)Nc1ccc(CNC(=O)c2ccc(O)cc2[O-])cc1 ZINC000436622467 981479597 /nfs/dbraw/zinc/47/95/97/981479597.db2.gz GPLQWIQGEPGNOL-UHFFFAOYSA-N -1 3 420.465 3.826 20 0 HHADHM Cc1ccc(C(=O)N2CCC(C(=O)Nc3cccc(Br)c3)CC2)c([O-])c1 ZINC000436624008 981480219 /nfs/dbraw/zinc/48/02/19/981480219.db2.gz IFGIWQZMMVKWBU-UHFFFAOYSA-N -1 3 417.303 3.954 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1ccc2nccnc2c1 ZINC000436626311 981481465 /nfs/dbraw/zinc/48/14/65/981481465.db2.gz RGNJIKSVGKMMII-NRFANRHFSA-N -1 3 412.449 3.835 20 0 HHADHM Cc1cc(C)cc(-c2nnc(NC(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])s2)c1 ZINC000436627610 981482049 /nfs/dbraw/zinc/48/20/49/981482049.db2.gz ULJDIJBNSFNBLI-KRWDZBQOSA-N -1 3 422.510 3.771 20 0 HHADHM CCCCN1CCc2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])cc21 ZINC000436631572 981483832 /nfs/dbraw/zinc/48/38/32/981483832.db2.gz VLDLDSLGCXCSHK-FQEVSTJZSA-N -1 3 407.514 3.798 20 0 HHADHM CC[C@@H](C(=O)N1CCC(NC(=O)c2ccc(C(C)=O)c([O-])c2)CC1)c1ccccc1 ZINC000436637656 981487079 /nfs/dbraw/zinc/48/70/79/981487079.db2.gz XTZOHYNMFMQDJF-HXUWFJFHSA-N -1 3 408.498 3.509 20 0 HHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)C1(c2ccccc2F)CCCC1 ZINC000436639342 981488400 /nfs/dbraw/zinc/48/84/00/981488400.db2.gz CYDSDDSATDLRFM-UHFFFAOYSA-N -1 3 410.489 3.764 20 0 HHADHM COc1cc(C)c(Br)cc1NC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000436656130 981494541 /nfs/dbraw/zinc/49/45/41/981494541.db2.gz IDPOEMXNDJJJTH-UHFFFAOYSA-N -1 3 421.291 3.539 20 0 HHADHM COc1ccc(CN(CC2CCC2)C(=O)c2cc(OC)c([O-])c(OC)c2)c(OC)c1 ZINC000436657483 981495307 /nfs/dbraw/zinc/49/53/07/981495307.db2.gz QRYNUUZHWVQHIH-UHFFFAOYSA-N -1 3 415.486 3.869 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc(Oc3cccnc3)c(C)c2)c([O-])c1 ZINC000436667630 981500659 /nfs/dbraw/zinc/50/06/59/981500659.db2.gz UPMWRLJWLYDFOJ-UHFFFAOYSA-N -1 3 405.454 3.955 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCCc2c[nH]c3c2cccc3C)c1 ZINC000436670664 981502693 /nfs/dbraw/zinc/50/26/93/981502693.db2.gz RUQMDWFYHLYRTF-UHFFFAOYSA-N -1 3 418.453 3.703 20 0 HHADHM COc1cccc([C@@H]2CCCN2C(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])c1 ZINC000436675421 981506093 /nfs/dbraw/zinc/50/60/93/981506093.db2.gz WIUSILCQLXWOCS-FQEVSTJZSA-N -1 3 421.453 3.927 20 0 HHADHM CC[C@@H](NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(Cl)s1 ZINC000436686817 981512358 /nfs/dbraw/zinc/51/23/58/981512358.db2.gz IWLBEHZLXMXXHX-CQSZACIVSA-N -1 3 407.923 3.726 20 0 HHADHM COc1cc(-c2nc(-c3cc(Cl)c4c(c3)OCCCO4)no2)cc(OC)c1[O-] ZINC000436692038 981515464 /nfs/dbraw/zinc/51/54/64/981515464.db2.gz WHVVJZHDLXASAO-UHFFFAOYSA-N -1 3 404.806 3.941 20 0 HHADHM CC(C)(C)OCc1cccc(CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000436699363 981519829 /nfs/dbraw/zinc/51/98/29/981519829.db2.gz PULYXYWEOVRLAB-FQEVSTJZSA-N -1 3 410.514 3.628 20 0 HHADHM COC[C@H](C)n1c(=O)c2ccccc2nc1SCc1noc(-c2ccccc2[O-])n1 ZINC000436702394 981520861 /nfs/dbraw/zinc/52/08/61/981520861.db2.gz CWGVOVKEUBJXPM-ZDUSSCGKSA-N -1 3 424.482 3.652 20 0 HHADHM Cc1ccc(NC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1OC(F)F ZINC000436704367 981521279 /nfs/dbraw/zinc/52/12/79/981521279.db2.gz LRGXOCYNLLDLAI-UHFFFAOYSA-N -1 3 419.428 3.728 20 0 HHADHM C[C@@H](NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccc(F)c2ccccc21 ZINC000436703571 981521297 /nfs/dbraw/zinc/52/12/97/981521297.db2.gz MAPXLWOOBAYYFS-MRXNPFEDSA-N -1 3 421.472 3.913 20 0 HHADHM O=C(N[C@@H](CC(=O)N(CCO)CC1CCCCC1)c1ccccc1)c1ccc([O-])cc1 ZINC000436703059 981521478 /nfs/dbraw/zinc/52/14/78/981521478.db2.gz HIIDEKCVOBIXNU-QHCPKHFHSA-N -1 3 424.541 3.655 20 0 HHADHM COc1ccccc1C1(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)CCCCC1 ZINC000436716298 981528182 /nfs/dbraw/zinc/52/81/82/981528182.db2.gz PJVNFJWSDGILSB-UHFFFAOYSA-N -1 3 422.525 3.587 20 0 HHADHM O=C(CCCCCc1cccs1)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436718012 981528766 /nfs/dbraw/zinc/52/87/66/981528766.db2.gz VNRVVJMUPRHGPJ-UHFFFAOYSA-N -1 3 400.544 3.978 20 0 HHADHM O=C(Nc1ccccc1CCC(F)(F)F)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436718276 981528830 /nfs/dbraw/zinc/52/88/30/981528830.db2.gz ZFJNMPGJXDPCIQ-UHFFFAOYSA-N -1 3 421.419 3.877 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)c([O-])c1 ZINC000436717431 981528907 /nfs/dbraw/zinc/52/89/07/981528907.db2.gz WTURPDFXZSEQDA-UHFFFAOYSA-N -1 3 403.482 3.618 20 0 HHADHM COCCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000436720512 981530274 /nfs/dbraw/zinc/53/02/74/981530274.db2.gz FNCAFMDOSORQQD-UHFFFAOYSA-N -1 3 421.375 3.874 20 0 HHADHM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436723463 981531915 /nfs/dbraw/zinc/53/19/15/981531915.db2.gz OAPLJENSHIOFGS-SFHVURJKSA-N -1 3 409.530 3.616 20 0 HHADHM CC1(C)C(=O)N[C@H]1C1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000436729737 981535408 /nfs/dbraw/zinc/53/54/08/981535408.db2.gz CAGRCYRITHYYGV-QFIPXVFZSA-N -1 3 406.526 3.554 20 0 HHADHM C[C@@H](CC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000436730077 981535438 /nfs/dbraw/zinc/53/54/38/981535438.db2.gz VBYWOBVBKTTZQY-HNNXBMFYSA-N -1 3 420.431 3.889 20 0 HHADHM C[C@H](CC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000436730080 981535484 /nfs/dbraw/zinc/53/54/84/981535484.db2.gz VBYWOBVBKTTZQY-OAHLLOKOSA-N -1 3 420.431 3.889 20 0 HHADHM COc1cc(-c2noc(CCCCCNC(=O)c3ccc(C)cc3[O-])n2)ccc1O ZINC000436734287 981537579 /nfs/dbraw/zinc/53/75/79/981537579.db2.gz CMNZQTHVQIFEDF-UHFFFAOYSA-N -1 3 411.458 3.608 20 0 HHADHM CC(C)c1ccc(C(=O)NCc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)c([O-])c1 ZINC000436739620 981539436 /nfs/dbraw/zinc/53/94/36/981539436.db2.gz OWKSVCDIJPWREU-IRXDYDNUSA-N -1 3 410.514 3.695 20 0 HHADHM Cc1cccc(C(=O)Nc2cc(-c3ccc(Br)cc3)nn2CCO)c1[O-] ZINC000436744681 981542036 /nfs/dbraw/zinc/54/20/36/981542036.db2.gz ORAMMNUFNWBLPG-UHFFFAOYSA-N -1 3 416.275 3.571 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)N[C@@H](C)c2ccc(Oc3cccnc3)cc2)c([O-])c1 ZINC000436745072 981542072 /nfs/dbraw/zinc/54/20/72/981542072.db2.gz AJUZUCHRJAOKDY-KRWDZBQOSA-N -1 3 419.481 3.885 20 0 HHADHM CC(C)(C)c1nc2cc(NC(=O)N3CCN(C(=O)c4ccc([O-])cc4)CC3)ccc2o1 ZINC000436747079 981543201 /nfs/dbraw/zinc/54/32/01/981543201.db2.gz JSBBTAUCHSYXIC-UHFFFAOYSA-N -1 3 422.485 3.821 20 0 HHADHM O=C(Nc1ccc(OC2CCCC2)cc1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436747157 981543402 /nfs/dbraw/zinc/54/34/02/981543402.db2.gz KDQLJLFGLQPIAY-UHFFFAOYSA-N -1 3 409.486 3.704 20 0 HHADHM COc1cccc(C(=O)Nc2cccc(NS(=O)(=O)Cc3ccccc3)c2)c1[O-] ZINC000436754024 981546612 /nfs/dbraw/zinc/54/66/12/981546612.db2.gz XKZZFBXRPRYWCU-UHFFFAOYSA-N -1 3 412.467 3.595 20 0 HHADHM O=C(c1ccc2c(c1)oc1ccccc12)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436758092 981548634 /nfs/dbraw/zinc/54/86/34/981548634.db2.gz XPJWVYBQZKNRMQ-UHFFFAOYSA-N -1 3 400.434 3.890 20 0 HHADHM CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccc(C)cc1[O-] ZINC000436758086 981548707 /nfs/dbraw/zinc/54/87/07/981548707.db2.gz LGZSVKBJOTWXNL-UHFFFAOYSA-N -1 3 400.475 3.587 20 0 HHADHM O=C(NCc1nc2cc(Cl)ccc2s1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436769655 981554486 /nfs/dbraw/zinc/55/44/86/981554486.db2.gz ZIPKRLQLIHEELJ-OAHLLOKOSA-N -1 3 415.902 3.576 20 0 HHADHM O=C(Nc1cc(Cl)c(F)c(Cl)c1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436770597 981554549 /nfs/dbraw/zinc/55/45/49/981554549.db2.gz PMYPRILIZODMQO-UHFFFAOYSA-N -1 3 412.248 3.828 20 0 HHADHM Cc1noc([C@@H](NC(=O)c2cc(Cc3ccccc3)ccc2[O-])C2CCOCC2)n1 ZINC000436771569 981555013 /nfs/dbraw/zinc/55/50/13/981555013.db2.gz WZWDOYJWGRYIQV-NRFANRHFSA-N -1 3 407.470 3.572 20 0 HHADHM Cc1[nH]c2ccc(Cl)cc2c1C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436776539 981556629 /nfs/dbraw/zinc/55/66/29/981556629.db2.gz JVRPADFYNMYIAP-UHFFFAOYSA-N -1 3 411.889 3.870 20 0 HHADHM O=C(N[C@H]1CCCc2sc(Cl)cc21)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436777327 981557175 /nfs/dbraw/zinc/55/71/75/981557175.db2.gz CFZCKPLZQSQRKW-HNNXBMFYSA-N -1 3 419.934 3.652 20 0 HHADHM O=C(Nc1cc(-c2ccccc2)ns1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436778223 981557627 /nfs/dbraw/zinc/55/76/27/981557627.db2.gz QXAUKEPZXZUFFN-UHFFFAOYSA-N -1 3 408.483 3.506 20 0 HHADHM Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000436781163 981558658 /nfs/dbraw/zinc/55/86/58/981558658.db2.gz IWEMEEJNNQETOX-UHFFFAOYSA-N -1 3 412.877 3.607 20 0 HHADHM O=C(c1cc2c(cc1[O-])OCO2)N1CCC(c2cccc(Br)c2)CC1 ZINC000436785939 981560523 /nfs/dbraw/zinc/56/05/23/981560523.db2.gz WKWXAOYPHBDXEM-UHFFFAOYSA-N -1 3 404.260 3.903 20 0 HHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)c2noc(-c3ccc(Cl)cc3)n2)c1 ZINC000436789914 981562585 /nfs/dbraw/zinc/56/25/85/981562585.db2.gz MHELELRCVUQTGQ-JTQLQIEISA-N -1 3 400.822 3.545 20 0 HHADHM O=C(c1cc(-c2ccc(Cl)cc2)c[nH]1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436790590 981562644 /nfs/dbraw/zinc/56/26/44/981562644.db2.gz HGKYOBHESMIRKI-UHFFFAOYSA-N -1 3 409.873 3.639 20 0 HHADHM CCc1ccc(C(=O)N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c([O-])c1 ZINC000436796069 981565733 /nfs/dbraw/zinc/56/57/33/981565733.db2.gz HWPJREKDFHQHOV-UHFFFAOYSA-N -1 3 406.404 3.572 20 0 HHADHM CC(C)[C@@H]1C[C@@H](CC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c2ccccc21 ZINC000436796867 981566475 /nfs/dbraw/zinc/56/64/75/981566475.db2.gz COMVMVZKVAOXDZ-CVDCTZTESA-N -1 3 406.526 3.994 20 0 HHADHM CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000436800410 981568148 /nfs/dbraw/zinc/56/81/48/981568148.db2.gz VGSNCTKLJWZSTI-ZMZPIMSZSA-N -1 3 421.291 3.619 20 0 HHADHM O=C(c1cc(Cl)cc(C(F)(F)F)c1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436804741 981569748 /nfs/dbraw/zinc/56/97/48/981569748.db2.gz CJYZCRWUIFLTDQ-UHFFFAOYSA-N -1 3 412.795 3.663 20 0 HHADHM CCOc1cc(-c2nc3ccc(C(=O)OC)cc3n2C)cc(Br)c1[O-] ZINC000436812184 981572420 /nfs/dbraw/zinc/57/24/20/981572420.db2.gz AIMHHIFLSIVBFD-UHFFFAOYSA-N -1 3 405.248 3.894 20 0 HHADHM COC[C@@H]1CCCCN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000436816236 981573850 /nfs/dbraw/zinc/57/38/50/981573850.db2.gz NNCPALVSMBNSKR-GCJKJVERSA-N -1 3 410.514 3.529 20 0 HHADHM C[C@H]1CCN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC1(F)F ZINC000436817457 981574557 /nfs/dbraw/zinc/57/45/57/981574557.db2.gz HNAPFLVUEPGFGW-HNAYVOBHSA-N -1 3 402.441 3.757 20 0 HHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3CC4(CCC4)[C@@H]3C(C)C)cs2)c1 ZINC000436825423 981577924 /nfs/dbraw/zinc/57/79/24/981577924.db2.gz GQBFRTODSKFATM-IBGZPJMESA-N -1 3 413.543 3.989 20 0 HHADHM C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1C(=O)c1cc2c(cc1[O-])OCO2 ZINC000436855064 981593573 /nfs/dbraw/zinc/59/35/73/981593573.db2.gz ONIINRQQAZWWQE-ADLMAVQZSA-N -1 3 409.360 3.742 20 0 HHADHM C[C@H](c1ccncc1)N1CCC(NC(=O)c2cc(F)cc(Br)c2[O-])CC1 ZINC000436857725 981594682 /nfs/dbraw/zinc/59/46/82/981594682.db2.gz DFJMQROKTKYGGD-GFCCVEGCSA-N -1 3 422.298 3.644 20 0 HHADHM O=C(NCCNC(=O)c1ccc([O-])cc1)c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000436863621 981596397 /nfs/dbraw/zinc/59/63/97/981596397.db2.gz JRHGYLUBESAOMS-UHFFFAOYSA-N -1 3 416.886 3.950 20 0 HHADHM CCc1nc2cc(NC(=O)NC3CCN(C(=O)c4ccccc4[O-])CC3)ccc2o1 ZINC000436865694 981596806 /nfs/dbraw/zinc/59/68/06/981596806.db2.gz SUAJEDGVBYALKN-UHFFFAOYSA-N -1 3 408.458 3.522 20 0 HHADHM CC(C)(C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1cccc(C(F)(F)F)c1 ZINC000436871985 981598098 /nfs/dbraw/zinc/59/80/98/981598098.db2.gz VRJPGSUQQUIMRZ-UHFFFAOYSA-N -1 3 420.431 3.673 20 0 HHADHM CCSc1ccc(Cl)cc1C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436884761 981601001 /nfs/dbraw/zinc/60/10/01/981601001.db2.gz HIDTULHDIPBFKW-UHFFFAOYSA-N -1 3 404.919 3.756 20 0 HHADHM O=C(c1[nH]c2ccc(Cl)cc2c1Cl)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436884744 981601070 /nfs/dbraw/zinc/60/10/70/981601070.db2.gz HDBLWUWUKLHMSV-UHFFFAOYSA-N -1 3 418.280 3.779 20 0 HHADHM O=C(c1ccccc1[O-])N1CCN(C(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)CC1 ZINC000436887978 981602174 /nfs/dbraw/zinc/60/21/74/981602174.db2.gz SAVBMHLIMQCVIV-ZWKOTPCHSA-N -1 3 419.308 3.787 20 0 HHADHM COc1ccc(C2(C(=O)N3CCN(C(=O)c4ccccc4[O-])CC3)CCCCC2)cc1 ZINC000436888329 981602251 /nfs/dbraw/zinc/60/22/51/981602251.db2.gz SYDQJJNXMRVTMZ-UHFFFAOYSA-N -1 3 422.525 3.587 20 0 HHADHM Cc1c(COc2ccccc2)cccc1NC(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000436889937 981602654 /nfs/dbraw/zinc/60/26/54/981602654.db2.gz BOQODTAFEATXTE-UHFFFAOYSA-N -1 3 419.481 3.831 20 0 HHADHM CC(C)c1ccc(C(=O)N2CC=C(CCN3C(=O)c4ccccc4C3=O)CC2)c([O-])c1 ZINC000436890413 981603073 /nfs/dbraw/zinc/60/30/73/981603073.db2.gz BKTMWYRTSTXDIK-UHFFFAOYSA-N -1 3 418.493 3.974 20 0 HHADHM O=C(N[C@@H]1CC=C(c2ccc(F)cc2)CC1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436890445 981603106 /nfs/dbraw/zinc/60/31/06/981603106.db2.gz UDDBOFIEVBMTPT-TZIWHRDSSA-N -1 3 408.473 3.888 20 0 HHADHM CN(C)CCN(Cc1cccc(F)c1)C(=O)c1cc(F)cc(Br)c1[O-] ZINC000436892747 981603432 /nfs/dbraw/zinc/60/34/32/981603432.db2.gz MROWARPCFJCCOT-UHFFFAOYSA-N -1 3 413.262 3.637 20 0 HHADHM CCC(=O)[C@@H]1CCCCN1C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436893152 981604018 /nfs/dbraw/zinc/60/40/18/981604018.db2.gz ODCPJHAARALINJ-RTWAWAEBSA-N -1 3 408.498 3.614 20 0 HHADHM C[C@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])C(=O)N1Cc2ccccc2C1 ZINC000436894775 981604387 /nfs/dbraw/zinc/60/43/87/981604387.db2.gz SCPGHXIXSVNHAT-KRWDZBQOSA-N -1 3 400.478 3.644 20 0 HHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000436896209 981605019 /nfs/dbraw/zinc/60/50/19/981605019.db2.gz MDVHATWYKCOYHP-YLJYHZDGSA-N -1 3 407.432 3.953 20 0 HHADHM CN1CCC[C@H](CNC(=O)C(=O)c2ccc([O-])cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000436898528 981606127 /nfs/dbraw/zinc/60/61/27/981606127.db2.gz YNBCTQXETIWYSS-APWZRJJASA-N -1 3 420.431 3.793 20 0 HHADHM COc1cccc(CNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC000436904013 981610071 /nfs/dbraw/zinc/61/00/71/981610071.db2.gz OVLUBWSETJNZEP-JOCHJYFZSA-N -1 3 404.466 3.578 20 0 HHADHM Cc1ccc(OCCNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cc1 ZINC000436905443 981611067 /nfs/dbraw/zinc/61/10/67/981611067.db2.gz SXIBTVJPKMZYDF-HSZRJFAPSA-N -1 3 418.493 3.757 20 0 HHADHM CCOc1ccccc1CNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436905960 981611956 /nfs/dbraw/zinc/61/19/56/981611956.db2.gz POIYSPSUPXSEFV-JOCHJYFZSA-N -1 3 418.493 3.969 20 0 HHADHM COCc1ccccc1CNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436906397 981612561 /nfs/dbraw/zinc/61/25/61/981612561.db2.gz DBNSYEDESWXLJR-QHCPKHFHSA-N -1 3 418.493 3.716 20 0 HHADHM CO[C@]1(C)CCCN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC1 ZINC000436907684 981613139 /nfs/dbraw/zinc/61/31/39/981613139.db2.gz STNYAZCYIHIPER-XUZZJYLKSA-N -1 3 410.514 3.671 20 0 HHADHM C[C@@H](c1cccnc1)N(C)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436910451 981616133 /nfs/dbraw/zinc/61/61/33/981616133.db2.gz OCKNRTCTONLSFP-HTAPYJJXSA-N -1 3 403.482 3.868 20 0 HHADHM COc1cccc(-c2nc(Cc3cc4c(cc3Br)OCO4)no2)c1[O-] ZINC000436910331 981616224 /nfs/dbraw/zinc/61/62/24/981616224.db2.gz CJBPXYRNANRZMS-UHFFFAOYSA-N -1 3 405.204 3.533 20 0 HHADHM CCOc1ccc(CNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cc1 ZINC000436912172 981617757 /nfs/dbraw/zinc/61/77/57/981617757.db2.gz GPFOLPYRZUUSDS-HSZRJFAPSA-N -1 3 418.493 3.969 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1ccc2n[nH]cc2c1 ZINC000436915678 981621036 /nfs/dbraw/zinc/62/10/36/981621036.db2.gz RURTZMXEINULRK-NRFANRHFSA-N -1 3 400.438 3.768 20 0 HHADHM O=C(Nc1ccc(Br)cc1)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436918297 981622613 /nfs/dbraw/zinc/62/26/13/981622613.db2.gz HEHFBXANLNUNEY-UHFFFAOYSA-N -1 3 418.291 3.581 20 0 HHADHM O=C(Nc1cccc(Br)c1)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436917471 981623031 /nfs/dbraw/zinc/62/30/31/981623031.db2.gz DUUQYPITFRQYMT-UHFFFAOYSA-N -1 3 418.291 3.581 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCCc1cc(F)cc(F)c1 ZINC000436920295 981624572 /nfs/dbraw/zinc/62/45/72/981624572.db2.gz GKUGZLWIXMSUKC-QFIPXVFZSA-N -1 3 424.447 3.891 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCCCOC1CCCC1 ZINC000436921400 981625305 /nfs/dbraw/zinc/62/53/05/981625305.db2.gz JVDMCMXGEPHYGR-QFIPXVFZSA-N -1 3 410.514 3.719 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCCC[C@H]1c1ncc[nH]1 ZINC000436922198 981625959 /nfs/dbraw/zinc/62/59/59/981625959.db2.gz MAOCPBJVVBHXES-RTWAWAEBSA-N -1 3 418.497 3.730 20 0 HHADHM COc1cccc(-c2nc(-c3ccc(N(C)C(=O)c4ccncc4)cc3)no2)c1[O-] ZINC000436923850 981627230 /nfs/dbraw/zinc/62/72/30/981627230.db2.gz AVMJPMBHEJWRQE-UHFFFAOYSA-N -1 3 402.410 3.789 20 0 HHADHM CCc1nc(CNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cs1 ZINC000436927043 981628663 /nfs/dbraw/zinc/62/86/63/981628663.db2.gz NWZHJPLHHIBUCH-LJQANCHMSA-N -1 3 409.511 3.589 20 0 HHADHM CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)c3cc(CCc4ccccc4)ccc3[O-])[C@@H]2C1 ZINC000436931414 981630883 /nfs/dbraw/zinc/63/08/83/981630883.db2.gz BWMJGQSWRGPKLV-WWNPGLIZSA-N -1 3 406.526 3.554 20 0 HHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CC(n2cc(-c3ccccc3)nn2)C1 ZINC000436934064 981632503 /nfs/dbraw/zinc/63/25/03/981632503.db2.gz FLKPPMWCFKPIGZ-UHFFFAOYSA-N -1 3 410.477 3.939 20 0 HHADHM COc1ccc(-c2nc(-c3ccc(N4CCCN(C)CC4)c(Cl)c3)no2)c([O-])c1 ZINC000436937590 981634093 /nfs/dbraw/zinc/63/40/93/981634093.db2.gz GITYHCTXJIWJKH-UHFFFAOYSA-N -1 3 414.893 3.913 20 0 HHADHM C[C@@H]1CN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCC1(F)F ZINC000436939165 981634687 /nfs/dbraw/zinc/63/46/87/981634687.db2.gz NYDZLROEMSZPHM-BEFAXECRSA-N -1 3 402.441 3.757 20 0 HHADHM COc1ccc([O-])c(-c2nc(-c3cc(C(F)(F)F)ccc3-n3cncn3)no2)c1 ZINC000436937907 981634746 /nfs/dbraw/zinc/63/47/46/981634746.db2.gz HGZMCARGMNLLBR-UHFFFAOYSA-N -1 3 403.320 3.717 20 0 HHADHM Cc1cc(O[C@@H](C)C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)ccc1Cl ZINC000436948321 981639341 /nfs/dbraw/zinc/63/93/41/981639341.db2.gz WENYZLUPFXMDPX-HNNXBMFYSA-N -1 3 416.905 3.542 20 0 HHADHM COc1ccc(C(=O)N2CCO[C@@H](c3ccc(F)c(Br)c3)C2)c([O-])c1 ZINC000436951153 981641368 /nfs/dbraw/zinc/64/13/68/981641368.db2.gz DPWQZNNTCIWQSH-QGZVFWFLSA-N -1 3 410.239 3.516 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C)Cc2ccc(Cl)s2)c1 ZINC000436951342 981641520 /nfs/dbraw/zinc/64/15/20/981641520.db2.gz ZFDGOKFZTYRKOH-UHFFFAOYSA-N -1 3 405.863 3.928 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC[C@H](C)COCc2ccccc2)c1 ZINC000436952723 981642604 /nfs/dbraw/zinc/64/26/04/981642604.db2.gz XYWSCUWYQRPKDK-HNNXBMFYSA-N -1 3 423.469 3.524 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCc2ccccc2OCC(C)C)c1 ZINC000436953900 981643696 /nfs/dbraw/zinc/64/36/96/981643696.db2.gz SLRBFBNDFIAADC-UHFFFAOYSA-N -1 3 423.469 3.906 20 0 HHADHM Cc1nn(-c2ccccc2F)c(C)c1[C@H]1COCCN1C(=O)c1ccc(C)cc1[O-] ZINC000436955104 981644320 /nfs/dbraw/zinc/64/43/20/981644320.db2.gz YTJUPECEFVCEQP-HXUWFJFHSA-N -1 3 409.461 3.856 20 0 HHADHM C[C@H]1CN(c2ccc(CNC(=O)c3cc(Oc4ccccc4)ccc3[O-])cn2)CCO1 ZINC000436954573 981644355 /nfs/dbraw/zinc/64/43/55/981644355.db2.gz XHKVXPDRWKQVHU-KRWDZBQOSA-N -1 3 419.481 3.735 20 0 HHADHM COc1ccc(Cl)cc1CNC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000436954854 981644379 /nfs/dbraw/zinc/64/43/79/981644379.db2.gz YFZAUSORWRDJTD-UHFFFAOYSA-N -1 3 415.833 3.533 20 0 HHADHM Cc1ccccc1[C@H](CC(C)C)NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436956078 981644917 /nfs/dbraw/zinc/64/49/17/981644917.db2.gz LBOZOUFLNHDNMD-NRFANRHFSA-N -1 3 409.530 3.955 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCCc2c[nH]c3cc(C)ccc23)c1 ZINC000436958144 981647379 /nfs/dbraw/zinc/64/73/79/981647379.db2.gz ZRIQXCMERNXMNB-UHFFFAOYSA-N -1 3 418.453 3.703 20 0 HHADHM CN(C(=O)c1ccc(NC(=O)c2ccc3c(c2[O-])CCCC3)cc1)C1CCOCC1 ZINC000436959781 981648762 /nfs/dbraw/zinc/64/87/62/981648762.db2.gz HXQJOILDCYEKFP-UHFFFAOYSA-N -1 3 408.498 3.774 20 0 HHADHM O=C(Nc1cccc(C[S@](=O)C2CCOCC2)c1)c1ccc2c(c1[O-])CCCC2 ZINC000436962149 981650362 /nfs/dbraw/zinc/65/03/62/981650362.db2.gz BGRNYJUHMBFFRR-LJAQVGFWSA-N -1 3 413.539 3.951 20 0 HHADHM CC(C)c1ncc(C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)s1 ZINC000448248013 981652627 /nfs/dbraw/zinc/65/26/27/981652627.db2.gz NPFMANJKHXBLRK-UHFFFAOYSA-N -1 3 407.439 3.909 20 0 HHADHM Cc1csc(C2(NC(=O)c3cc(NC(=O)c4cnoc4C)ccc3[O-])CCC2)n1 ZINC000436968516 981654406 /nfs/dbraw/zinc/65/44/06/981654406.db2.gz VTOFULSCDWIMJM-UHFFFAOYSA-N -1 3 412.471 3.515 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2C[C@H](C)OC[C@@H]2c2ccccc2)c1 ZINC000436968105 981654706 /nfs/dbraw/zinc/65/47/06/981654706.db2.gz UXPCODWJZHFNPA-VBKZILBWSA-N -1 3 421.453 3.543 20 0 HHADHM CC(C)c1nc([C@H]2COCCN2C(=O)c2cc(Cc3ccccc3)ccc2[O-])no1 ZINC000436969534 981655199 /nfs/dbraw/zinc/65/51/99/981655199.db2.gz YVHWFYFZZYGQCD-LJQANCHMSA-N -1 3 407.470 3.703 20 0 HHADHM COc1ccc(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cc1O ZINC000436969307 981655305 /nfs/dbraw/zinc/65/53/05/981655305.db2.gz YWSAKXNFJGOZAE-LJQANCHMSA-N -1 3 406.438 3.606 20 0 HHADHM COc1ccc(C[C@@H](C)CNC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])cc1 ZINC000436971798 981656970 /nfs/dbraw/zinc/65/69/70/981656970.db2.gz KZVRKKQSSHBWQJ-CQSZACIVSA-N -1 3 423.469 3.558 20 0 HHADHM CCCCOc1ccc(C(=O)N2CCN(C(=O)CCCc3ccccc3)CC2)c([O-])c1 ZINC000436973507 981658433 /nfs/dbraw/zinc/65/84/33/981658433.db2.gz TZAGWQAPGXTVMZ-UHFFFAOYSA-N -1 3 424.541 3.878 20 0 HHADHM CCCc1cnc(NC(=O)Cc2csc(NC(=O)c3cc(C)ccc3[O-])n2)s1 ZINC000436975977 981661288 /nfs/dbraw/zinc/66/12/88/981661288.db2.gz AAZURSWGQOZLMU-UHFFFAOYSA-N -1 3 416.528 4.000 20 0 HHADHM CCCCOc1ccc(C(=O)N2CCC(O)(Cc3cccc(F)c3)CC2)c([O-])c1 ZINC000436979415 981663578 /nfs/dbraw/zinc/66/35/78/981663578.db2.gz KUGDAEKHGJQJRX-UHFFFAOYSA-N -1 3 401.478 3.920 20 0 HHADHM Cc1csc([C@H](C)CNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)n1 ZINC000436985358 981667638 /nfs/dbraw/zinc/66/76/38/981667638.db2.gz OPHBXSBUJWOZCJ-QRWLVFNGSA-N -1 3 423.538 3.938 20 0 HHADHM CCC(CC)[C@H]1C[C@H](NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])CCO1 ZINC000436985581 981668419 /nfs/dbraw/zinc/66/84/19/981668419.db2.gz CXCBXCSCOVGQTD-OXQOHEQNSA-N -1 3 415.490 3.655 20 0 HHADHM O=C(Nc1ccc(OCC2CC2)cc1)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436986845 981669136 /nfs/dbraw/zinc/66/91/36/981669136.db2.gz SOFHEYCLNQKIPS-UHFFFAOYSA-N -1 3 409.486 3.607 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NC[C@H]1CCC(F)(F)C1 ZINC000437002753 981679022 /nfs/dbraw/zinc/67/90/22/981679022.db2.gz SIRDXJGGBSKFJD-KXBFYZLASA-N -1 3 402.441 3.805 20 0 HHADHM CCn1ccnc1[C@H]1CCCCN1C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000437004175 981680472 /nfs/dbraw/zinc/68/04/72/981680472.db2.gz UWGIAPLOTBPFTB-GOSISDBHSA-N -1 3 423.473 3.525 20 0 HHADHM CCN(C(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000437127628 981779616 /nfs/dbraw/zinc/77/96/16/981779616.db2.gz VCXVKSBPEGWPHT-HXUWFJFHSA-N -1 3 412.509 3.849 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N(Cc3cccs3)C(C)C)c2)n1 ZINC000437173691 981828607 /nfs/dbraw/zinc/82/86/07/981828607.db2.gz VFRKDINDDPNKPF-UHFFFAOYSA-N -1 3 424.526 3.849 20 0 HHADHM CC(C)[C@H]([N-]S(=O)(=O)c1cccc2ccccc21)c1nc(-c2ccncc2)no1 ZINC000437208203 981865149 /nfs/dbraw/zinc/86/51/49/981865149.db2.gz RMKYOTHYKKMPDC-IBGZPJMESA-N -1 3 408.483 3.960 20 0 HHADHM CC(C)c1nc(C(=O)[N-]c2cc(-c3cccc(F)c3)on2)nn1-c1ccccc1F ZINC000448539911 981868248 /nfs/dbraw/zinc/86/82/48/981868248.db2.gz XVDLMRZVNFBESA-UHFFFAOYSA-N -1 3 409.396 4.576 20 0 HHADHM O=S(=O)([N-]C1CC1)c1cc(-c2nc(C3(c4ccccc4)CCC3)no2)ccc1F ZINC000460139914 981913331 /nfs/dbraw/zinc/91/33/31/981913331.db2.gz ACZZMDMRULRWHM-UHFFFAOYSA-N -1 3 413.474 3.786 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]C2CCC3(CCOCC3)CC2)sc1Br ZINC000437296790 981949892 /nfs/dbraw/zinc/94/98/92/981949892.db2.gz YUVLBJGXUPDZSW-UHFFFAOYSA-N -1 3 408.383 3.837 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2C[C@H]2c2cccc(Cl)c2)c1 ZINC000437307288 981959096 /nfs/dbraw/zinc/95/90/96/981959096.db2.gz JJLHNIZTQMSSQZ-MAUKXSAKSA-N -1 3 411.845 3.880 20 0 HHADHM COc1cc(C(=O)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)cc(Cl)c1[O-] ZINC000460189298 981963224 /nfs/dbraw/zinc/96/32/24/981963224.db2.gz VVKJMVUNVQLCRF-GJZGRUSLSA-N -1 3 418.921 3.593 20 0 HHADHM CN(C)S(=O)(=O)c1ccc(F)c([N-]C(=O)c2cnc(-c3ccsc3)s2)c1 ZINC000460361480 982136084 /nfs/dbraw/zinc/13/60/84/982136084.db2.gz KSHSCIRDCYWSOD-UHFFFAOYSA-N -1 3 411.505 3.513 20 0 HHADHM Cc1noc(C)c1S(=O)(=O)[N-]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000437702172 982306290 /nfs/dbraw/zinc/30/62/90/982306290.db2.gz ZEHPBSYNOCNQQJ-UHFFFAOYSA-N -1 3 417.434 3.912 20 0 HHADHM COc1ccc(-c2nc([N-]C(=O)c3ncsc3-c3ccccc3)n[nH]2)c(OC)c1 ZINC000437800059 982364730 /nfs/dbraw/zinc/36/47/30/982364730.db2.gz LVZBCXSJMIUIAA-UHFFFAOYSA-N -1 3 407.455 3.865 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CC[C@@H](Cc3ccccc3)C2)cc1OC ZINC000437836757 982394063 /nfs/dbraw/zinc/39/40/63/982394063.db2.gz DMGQPCQSTQTGJI-KRWDZBQOSA-N -1 3 417.531 3.553 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cc(C4CC4)n(C)n3)cc2)cc1 ZINC000460824901 982576259 /nfs/dbraw/zinc/57/62/59/982576259.db2.gz TZWNKMLFCIHCOM-UHFFFAOYSA-N -1 3 410.499 3.659 20 0 HHADHM COc1cc(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)ccc1O ZINC000438093693 982584028 /nfs/dbraw/zinc/58/40/28/982584028.db2.gz JDRCRHKXLVTVBR-LJQANCHMSA-N -1 3 406.438 3.606 20 0 HHADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H](C)Oc3ccc(C(F)(F)F)cc3)nc21 ZINC000438176728 982633952 /nfs/dbraw/zinc/63/39/52/982633952.db2.gz SBGZEPDCOCOIKD-JTQLQIEISA-N -1 3 407.348 3.774 20 0 HHADHM CCc1ncc(S(=O)(=O)[N-][C@@H](C)c2ccc(OC)c(Br)c2)s1 ZINC000460958139 982690439 /nfs/dbraw/zinc/69/04/39/982690439.db2.gz MHKMKVFHVCQKLB-VIFPVBQESA-N -1 3 405.339 3.516 20 0 HHADHM CC1(C)CN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)[C@@H]1C1CC1 ZINC000460959241 982691404 /nfs/dbraw/zinc/69/14/04/982691404.db2.gz CRPGVQDXLNZAGK-LJQANCHMSA-N -1 3 402.491 3.887 20 0 HHADHM Cc1cccc(Cl)c1[N-]S(=O)(=O)c1cc2c(cc1Br)OCCO2 ZINC000461114947 982806478 /nfs/dbraw/zinc/80/64/78/982806478.db2.gz UYRNXUJEXDQVRJ-UHFFFAOYSA-N -1 3 418.696 3.983 20 0 HHADHM O=C([N-]c1nccc2sccc21)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000461124039 982821794 /nfs/dbraw/zinc/82/17/94/982821794.db2.gz BBLFHCJCMBSBPT-UHFFFAOYSA-N -1 3 407.542 3.785 20 0 HHADHM CC1(C)CCC[C@](O)(CNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000438499497 982841533 /nfs/dbraw/zinc/84/15/33/982841533.db2.gz GONPDUMHCPJHOQ-SQJMNOBHSA-N -1 3 424.541 3.701 20 0 HHADHM COC(C)(C)C[C@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000461202268 982917186 /nfs/dbraw/zinc/91/71/86/982917186.db2.gz RVKQSSLBMAXBRZ-AWEZNQCLSA-N -1 3 408.495 3.560 20 0 HHADHM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(-n4cnc(C)c4C)cc3)cc2C[C@H]1C ZINC000461208089 982922068 /nfs/dbraw/zinc/92/20/68/982922068.db2.gz QMBRCYZSDVRBDC-CQSZACIVSA-N -1 3 424.526 3.587 20 0 HHADHM COC(=O)c1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(-n3cnc(C)c3C)cc2)c1 ZINC000461219901 982931029 /nfs/dbraw/zinc/93/10/29/982931029.db2.gz MYIFANFUCZTKFV-UHFFFAOYSA-N -1 3 413.499 3.693 20 0 HHADHM CC(C)[C@@H](CC(F)(F)F)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000438616102 982939918 /nfs/dbraw/zinc/93/99/18/982939918.db2.gz UWYODJYLJUJBRR-OAHLLOKOSA-N -1 3 421.416 3.661 20 0 HHADHM CC[C@@H](Cc1ccccc1)N(C)C(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000461242182 982949051 /nfs/dbraw/zinc/94/90/51/982949051.db2.gz KHFMIGNCIIHTPI-FQEVSTJZSA-N -1 3 404.514 3.553 20 0 HHADHM COc1cccc(F)c1[C@H](C)NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000461255517 982961079 /nfs/dbraw/zinc/96/10/79/982961079.db2.gz ZUIKHDPRYXADRP-AWEZNQCLSA-N -1 3 410.449 3.510 20 0 HHADHM CO[C@@H](C)[C@@H](C)NC(=O)c1ccc(C)c([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000461269177 982974179 /nfs/dbraw/zinc/97/41/79/982974179.db2.gz DGZLQASUGRTUEA-MSOLQXFVSA-N -1 3 418.559 3.874 20 0 HHADHM CC(C)c1cnc([N-]C(=O)c2sccc2S(=O)(=O)NCc2ccco2)s1 ZINC000461268823 982974333 /nfs/dbraw/zinc/97/43/33/982974333.db2.gz GTSRWUMVFKCSRM-UHFFFAOYSA-N -1 3 411.530 3.652 20 0 HHADHM CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cccc(C4CCC4)c3)ccc2O1 ZINC000461346991 983031363 /nfs/dbraw/zinc/03/13/63/983031363.db2.gz ONICDKWCIQFHCC-FQEVSTJZSA-N -1 3 401.484 3.622 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000461355655 983035227 /nfs/dbraw/zinc/03/52/27/983035227.db2.gz SUXHJCNLYCMFRZ-UHFFFAOYSA-N -1 3 422.460 3.782 20 0 HHADHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)c(Br)c2)c(F)cc1F ZINC000438789357 983071501 /nfs/dbraw/zinc/07/15/01/983071501.db2.gz WWFCNXGFCYAXRL-UHFFFAOYSA-N -1 3 420.231 3.623 20 0 HHADHM CCOc1cc(N2CCN(C)CC2)ccc1[N-]S(=O)(=O)c1cc(Cl)ccc1C ZINC000438789672 983071699 /nfs/dbraw/zinc/07/16/99/983071699.db2.gz BNYMMOMYYRTEAN-UHFFFAOYSA-N -1 3 423.966 3.600 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(F)c2)cc1Br ZINC000438790551 983072602 /nfs/dbraw/zinc/07/26/02/983072602.db2.gz ZMMQVICBODREPP-UHFFFAOYSA-N -1 3 410.268 3.883 20 0 HHADHM CCOc1cc(N2CCN(C)CC2)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1C ZINC000438796058 983076209 /nfs/dbraw/zinc/07/62/09/983076209.db2.gz ZKIRMXIRXUAEMN-UHFFFAOYSA-N -1 3 423.966 3.600 20 0 HHADHM O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)Nc1cc(C2CC2)ccn1 ZINC000461418854 983082330 /nfs/dbraw/zinc/08/23/30/983082330.db2.gz CLELOEFOOSFNLU-UHFFFAOYSA-N -1 3 414.314 3.573 20 0 HHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ncccn1 ZINC000461454813 983121285 /nfs/dbraw/zinc/12/12/85/983121285.db2.gz WFQVEYIHUJBSJK-MAZHCROVSA-N -1 3 406.408 3.977 20 0 HHADHM Cc1ccccc1-c1nc(C[N-]S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)no1 ZINC000438900482 983143888 /nfs/dbraw/zinc/14/38/88/983143888.db2.gz XEROVJRDYHNIMI-UHFFFAOYSA-N -1 3 412.298 3.971 20 0 HHADHM COc1ccc(NC(=O)[C@@H]2CO[C@@H](C)C2)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000438971540 983186824 /nfs/dbraw/zinc/18/68/24/983186824.db2.gz UVMNANKUEDXOLC-STQMWFEESA-N -1 3 424.906 3.513 20 0 HHADHM CC(C)COc1ccc(C2(C(=O)Nc3cc4c(cc3[O-])n(C)c(=O)n4C)CCC2)cc1 ZINC000461613239 983239435 /nfs/dbraw/zinc/23/94/35/983239435.db2.gz ZRYABBLUNARXRA-UHFFFAOYSA-N -1 3 423.513 3.678 20 0 HHADHM Cn1c2cc([O-])c(NC(=O)c3cc4c(s3)-c3ccccc3CC4)cc2n(C)c1=O ZINC000461619938 983243509 /nfs/dbraw/zinc/24/35/09/983243509.db2.gz NMJDRYUJSPZZGG-UHFFFAOYSA-N -1 3 405.479 3.662 20 0 HHADHM Cc1ccc(C(=O)CC(C)(C)CC(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)cc1 ZINC000461623966 983246146 /nfs/dbraw/zinc/24/61/46/983246146.db2.gz NRFIUSFGACQYPD-UHFFFAOYSA-N -1 3 409.486 3.519 20 0 HHADHM NC(=O)c1cccc(Oc2ccc(NC(=O)c3cc4c(cc3[O-])CCCC4)cn2)c1 ZINC000439158118 983280844 /nfs/dbraw/zinc/28/08/44/983280844.db2.gz OMCVNFGILHTXPD-UHFFFAOYSA-N -1 3 403.438 3.810 20 0 HHADHM O=S(=O)([N-]Cc1noc(-c2cccc(F)c2)n1)c1c(Cl)cccc1Cl ZINC000439206894 983310710 /nfs/dbraw/zinc/31/07/10/983310710.db2.gz FFQDOGBWOWSQSV-UHFFFAOYSA-N -1 3 402.234 3.661 20 0 HHADHM Cc1cnc([C@@H]([N-]S(=O)(=O)c2ccc(F)c(Br)c2)C2CC2)s1 ZINC000439235608 983323392 /nfs/dbraw/zinc/32/33/92/983323392.db2.gz KGYAAGCOEPYZOL-ZDUSSCGKSA-N -1 3 405.314 3.783 20 0 HHADHM COc1ccc(Sc2nsc([N-]C(=O)c3ncccc3OCC(F)F)n2)cc1 ZINC000439742378 983521879 /nfs/dbraw/zinc/52/18/79/983521879.db2.gz UKDVMIGLDBAFCU-UHFFFAOYSA-N -1 3 424.454 3.989 20 0 HHADHM CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000439816153 983549042 /nfs/dbraw/zinc/54/90/42/983549042.db2.gz NYSFPMVMMBQFCP-GAJHUEQPSA-N -1 3 418.541 3.604 20 0 HHADHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000440087337 983639008 /nfs/dbraw/zinc/63/90/08/983639008.db2.gz KDFBPWNPBQCIEL-ZDUSSCGKSA-N -1 3 419.264 3.561 20 0 HHADHM Cc1nc(C)c(CC(=O)N2CCC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)c(=O)[n-]1 ZINC000440103198 983645447 /nfs/dbraw/zinc/64/54/47/983645447.db2.gz WBXBWEPZQOWABH-AWEZNQCLSA-N -1 3 410.301 3.718 20 0 HHADHM CC(C)S(=O)(=O)Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)cc1 ZINC000440286702 983707176 /nfs/dbraw/zinc/70/71/76/983707176.db2.gz XVXVMMNAWWGMLJ-UHFFFAOYSA-N -1 3 423.556 3.524 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCCCC[C@H]2/C=C\c2ccccc2)c(C)o1 ZINC000440878905 983948456 /nfs/dbraw/zinc/94/84/56/983948456.db2.gz WYCNEKFHBJIUGY-SQVRQVGWSA-N -1 3 402.516 3.594 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCCCC[C@H]2/C=C/c2ccccc2)c(C)o1 ZINC000440878897 983948525 /nfs/dbraw/zinc/94/85/25/983948525.db2.gz WYCNEKFHBJIUGY-HHNLSAEISA-N -1 3 402.516 3.594 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)N[C@@]3(CO)CCCc4ccccc43)cc2)cc(=O)[n-]1 ZINC000440929781 983984245 /nfs/dbraw/zinc/98/42/45/983984245.db2.gz OVKXSBNTDZTWIA-HSZRJFAPSA-N -1 3 404.470 3.503 20 0 HHADHM Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000440994001 984014987 /nfs/dbraw/zinc/01/49/87/984014987.db2.gz SEDUZVWHVQKWKR-UHFFFAOYSA-N -1 3 419.407 3.802 20 0 HHADHM CC(C)c1ccccc1NC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000441239965 984132492 /nfs/dbraw/zinc/13/24/92/984132492.db2.gz ABSDULZYDLDLEA-UHFFFAOYSA-N -1 3 413.902 3.703 20 0 HHADHM Cc1ccc(NC(=O)CC2(O)CCCCC2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000441276512 984154315 /nfs/dbraw/zinc/15/43/15/984154315.db2.gz MFCQSIHLYBFRFZ-UHFFFAOYSA-N -1 3 420.506 3.959 20 0 HHADHM Cc1ccc([C@H](Cn2ccnc2)[N-]S(=O)(=O)c2cc(F)c(F)cc2F)c(C)c1 ZINC000441847306 984496555 /nfs/dbraw/zinc/49/65/55/984496555.db2.gz GRGLKPGSTQBQBI-SFHVURJKSA-N -1 3 409.433 3.637 20 0 HHADHM Cc1ccc(Cc2cnc(NC(=O)NCc3nc(C(F)(F)F)n[n-]3)s2)cc1C ZINC000441854583 984501305 /nfs/dbraw/zinc/50/13/05/984501305.db2.gz DZHOOJBNYSRFSW-UHFFFAOYSA-N -1 3 410.425 3.809 20 0 HHADHM COc1cccc(Nc2ccccc2C(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)c1 ZINC000461630116 984650563 /nfs/dbraw/zinc/65/05/63/984650563.db2.gz XINFCZAPTNAACG-UHFFFAOYSA-N -1 3 418.453 3.587 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(N3CCNC3=O)cc2C)cc1C(C)C ZINC000442231557 984751225 /nfs/dbraw/zinc/75/12/25/984751225.db2.gz AENUKIKSEICZDT-UHFFFAOYSA-N -1 3 417.531 3.766 20 0 HHADHM CC(=O)N1CCCc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(F)c3F)cc21 ZINC000442232163 984751846 /nfs/dbraw/zinc/75/18/46/984751846.db2.gz ADBKPTKQOVCNSO-UHFFFAOYSA-N -1 3 400.834 3.718 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C1CC(c2ccccc2)C1 ZINC000461792112 984780877 /nfs/dbraw/zinc/78/08/77/984780877.db2.gz RRYPDEUBIJWQGA-UHFFFAOYSA-N -1 3 401.509 3.912 20 0 HHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C1CCN(c2nccs2)CC1 ZINC000461800330 984787607 /nfs/dbraw/zinc/78/76/07/984787607.db2.gz AOTIXEIQSWYKIF-UHFFFAOYSA-N -1 3 411.936 3.798 20 0 HHADHM C[C@H](CC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)c(Br)c1 ZINC000462052437 985026130 /nfs/dbraw/zinc/02/61/30/985026130.db2.gz RKQNNVPHRIVVJR-LLVKDONJSA-N -1 3 418.270 3.578 20 0 HHADHM C[C@H](CC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)c(Br)c1 ZINC000462052437 985026142 /nfs/dbraw/zinc/02/61/42/985026142.db2.gz RKQNNVPHRIVVJR-LLVKDONJSA-N -1 3 418.270 3.578 20 0 HHADHM CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2c3c(ccc2Cl)CC(C)(C)O3)cc1 ZINC000442614159 985092844 /nfs/dbraw/zinc/09/28/44/985092844.db2.gz GHGWHMOGATWRAZ-UHFFFAOYSA-N -1 3 408.907 3.556 20 0 HHADHM O=C(NCCNC(=O)c1ccc([O-])cc1)c1[nH]ccc1-c1c(Cl)cccc1Cl ZINC000442643739 985120510 /nfs/dbraw/zinc/12/05/10/985120510.db2.gz GWDIAHAFWQPYOL-UHFFFAOYSA-N -1 3 418.280 3.854 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](c2nc(C3CC3)no2)C(C)C)s1 ZINC000462159794 985134468 /nfs/dbraw/zinc/13/44/68/985134468.db2.gz SOYGFHJKWBUCPJ-LLVKDONJSA-N -1 3 420.354 3.755 20 0 HHADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H](C)c3cccc(Br)c3)nc21 ZINC000462260210 985247057 /nfs/dbraw/zinc/24/70/57/985247057.db2.gz SKGHUCYOIKHMIR-JTQLQIEISA-N -1 3 402.248 3.854 20 0 HHADHM CCN(CC)[C@H](C[N-]S(=O)(=O)c1cnccc1C(F)(F)F)c1ccsc1 ZINC000442907657 985273895 /nfs/dbraw/zinc/27/38/95/985273895.db2.gz JJEWQHVKBAHIGB-CQSZACIVSA-N -1 3 407.483 3.523 20 0 HHADHM CN1CCC[C@H](C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)[C@H]1c1cccs1 ZINC000462317907 985306829 /nfs/dbraw/zinc/30/68/29/985306829.db2.gz RTCRMKJXRDSQPY-DIFFPNOSSA-N -1 3 404.479 3.527 20 0 HHADHM CC[C@](C)([N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F)c1nc(C)cs1 ZINC000462327693 985318595 /nfs/dbraw/zinc/31/85/95/985318595.db2.gz PHKCKPVMLNPMAX-INIZCTEOSA-N -1 3 419.931 3.806 20 0 HHADHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2Cl)C12CCC2 ZINC000462329102 985319054 /nfs/dbraw/zinc/31/90/54/985319054.db2.gz VBMSMWQGBDLFQU-KGLIPLIRSA-N -1 3 408.745 3.729 20 0 HHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCc2cc(Cl)ccc21 ZINC000443013775 985336338 /nfs/dbraw/zinc/33/63/38/985336338.db2.gz NUBKHULHDXHZPR-OAHLLOKOSA-N -1 3 400.283 3.746 20 0 HHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H](c1ccccc1)c1ccc(F)cc1 ZINC000443014399 985337350 /nfs/dbraw/zinc/33/73/50/985337350.db2.gz CAGRWSVYTPJBBB-HXUWFJFHSA-N -1 3 417.433 3.819 20 0 HHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000443014398 985337513 /nfs/dbraw/zinc/33/75/13/985337513.db2.gz CAGRWSVYTPJBBB-FQEVSTJZSA-N -1 3 417.433 3.819 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2nc(C(F)(F)F)cs2)s1 ZINC000462349674 985338812 /nfs/dbraw/zinc/33/88/12/985338812.db2.gz WBRKWHVCALEVQB-UHFFFAOYSA-N -1 3 421.285 3.773 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H](C)COc1cccc(F)c1 ZINC000443024638 985342188 /nfs/dbraw/zinc/34/21/88/985342188.db2.gz KPDIINPZKXIHOG-LBPRGKRZSA-N -1 3 423.487 3.573 20 0 HHADHM CSC[C@@H](C)[N-]S(=O)(=O)c1c(Br)cc(C)cc1Br ZINC000462353762 985342396 /nfs/dbraw/zinc/34/23/96/985342396.db2.gz DEAZCVTVIQJQQZ-MRVPVSSYSA-N -1 3 417.188 3.550 20 0 HHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H]1CCSc2ccc(Cl)cc21 ZINC000443026651 985342781 /nfs/dbraw/zinc/34/27/81/985342781.db2.gz MHEPAESZCRHXKC-AWEZNQCLSA-N -1 3 415.895 3.781 20 0 HHADHM CCc1nc(CC[N-]S(=O)(=O)c2c3ccccc3sc2C(=O)OC)sc1C ZINC000443076871 985364488 /nfs/dbraw/zinc/36/44/88/985364488.db2.gz KTSIVXPFLXVVDV-UHFFFAOYSA-N -1 3 424.569 3.536 20 0 HHADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc3c2CN([C@@H](C)C(C)C)C3)cc1 ZINC000462382366 985365760 /nfs/dbraw/zinc/36/57/60/985365760.db2.gz ZOGUAZQGIDPAFD-HNNXBMFYSA-N -1 3 402.516 3.634 20 0 HHADHM COC(=O)c1nscc1S(=O)(=O)[N-]Cc1ccccc1Oc1ccccc1C ZINC000443083160 985366780 /nfs/dbraw/zinc/36/67/80/985366780.db2.gz UPJYFQKBZNFVDZ-UHFFFAOYSA-N -1 3 418.496 3.509 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](Cc1ccccc1)c1ccccc1 ZINC000443086564 985368209 /nfs/dbraw/zinc/36/82/09/985368209.db2.gz GVAABRSZCXFTMW-LJQANCHMSA-N -1 3 413.470 3.875 20 0 HHADHM CCOCc1ccccc1C[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC ZINC000443090281 985369307 /nfs/dbraw/zinc/36/93/07/985369307.db2.gz RJHCRYJIOKCSCR-UHFFFAOYSA-N -1 3 419.524 3.703 20 0 HHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000443091588 985370269 /nfs/dbraw/zinc/37/02/69/985370269.db2.gz FEOZOSRTJPWBCM-JTQLQIEISA-N -1 3 405.369 3.671 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H](C)c1ccc(OC)c(F)c1 ZINC000443091807 985371349 /nfs/dbraw/zinc/37/13/49/985371349.db2.gz VERXRDMDQNJNSB-LLVKDONJSA-N -1 3 423.487 3.875 20 0 HHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000443097014 985373734 /nfs/dbraw/zinc/37/37/34/985373734.db2.gz UFISRKRPKUQTEG-JTQLQIEISA-N -1 3 421.368 3.550 20 0 HHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000443098790 985374437 /nfs/dbraw/zinc/37/44/37/985374437.db2.gz YXDCZXUKXOMIAL-JTQLQIEISA-N -1 3 405.369 3.671 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2cc(-c3ccccc3)no2)s1 ZINC000462419115 985392369 /nfs/dbraw/zinc/39/23/69/985392369.db2.gz JARZIHBNKVIQHF-UHFFFAOYSA-N -1 3 413.318 3.953 20 0 HHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H](Cc1ccccc1)c1cccs1 ZINC000443128271 985394179 /nfs/dbraw/zinc/39/41/79/985394179.db2.gz KEVIEVMICDPTAD-QGZVFWFLSA-N -1 3 419.499 3.936 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](C)c2ccc3c(c2)OCCO3)s1 ZINC000462439170 985405751 /nfs/dbraw/zinc/40/57/51/985405751.db2.gz YTEFZRZDKJQULA-JTQLQIEISA-N -1 3 418.334 3.630 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCc2cccc3cccnc32)s1 ZINC000462457626 985419534 /nfs/dbraw/zinc/41/95/34/985419534.db2.gz RIXHJQJGGTYJNB-UHFFFAOYSA-N -1 3 411.346 3.888 20 0 HHADHM O=S(=O)([N-][C@H](CO)c1ccc(F)cc1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000443279024 985467719 /nfs/dbraw/zinc/46/77/19/985467719.db2.gz FCDZEQRGGOHHMY-OAHLLOKOSA-N -1 3 412.895 3.615 20 0 HHADHM CCN(CC)[C@@H](C[N-]S(=O)(=O)c1sc(C)cc1Br)c1ccco1 ZINC000462537664 985485317 /nfs/dbraw/zinc/48/53/17/985485317.db2.gz PLVVCBDTNJUQBT-ZDUSSCGKSA-N -1 3 421.382 3.773 20 0 HHADHM O=S(=O)([N-]Cc1ccc(Br)cc1Cl)c1cc(F)c(F)c(F)c1 ZINC000462553873 985501427 /nfs/dbraw/zinc/50/14/27/985501427.db2.gz SSWLSSAGLOXDMW-UHFFFAOYSA-N -1 3 414.630 3.998 20 0 HHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1c(F)cccc1Cl ZINC000443349834 985514297 /nfs/dbraw/zinc/51/42/97/985514297.db2.gz VTCPDFJXRABENI-VIFPVBQESA-N -1 3 406.262 3.959 20 0 HHADHM O=S(=O)([N-][C@H]1COc2c1ccc(Cl)c2Cl)c1ccc(Br)cn1 ZINC000462588202 985533949 /nfs/dbraw/zinc/53/39/49/985533949.db2.gz FBTMFYUDMGOKAM-JTQLQIEISA-N -1 3 424.103 3.563 20 0 HHADHM C[C@H](C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)Oc1ccc(Br)cc1 ZINC000462593720 985539283 /nfs/dbraw/zinc/53/92/83/985539283.db2.gz MEZPVZJLZSSYJO-SECBINFHSA-N -1 3 424.238 3.612 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)N[C@H](C)c2ccc(Br)s2)c([O-])c1 ZINC000443402424 985556027 /nfs/dbraw/zinc/55/60/27/985556027.db2.gz YQEDJXGLEXVBNH-LLVKDONJSA-N -1 3 411.321 3.522 20 0 HHADHM O=C(CCC(=O)c1ccc2c(c1)CCC(=O)N2)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000467931115 985564659 /nfs/dbraw/zinc/56/46/59/985564659.db2.gz VLNDLDVRINYEAG-UHFFFAOYSA-N -1 3 406.360 3.897 20 0 HHADHM COC(=O)c1csc(S(=O)(=O)[N-]CC(C)(C)c2c(F)cccc2Cl)c1 ZINC000462623900 985566982 /nfs/dbraw/zinc/56/69/82/985566982.db2.gz LLVDYGAFLJKPJK-UHFFFAOYSA-N -1 3 405.900 3.583 20 0 HHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H]2O[C@H](C)C[C@H]2C)cc1 ZINC000443420356 985577560 /nfs/dbraw/zinc/57/75/60/985577560.db2.gz YNDFAAOUSMZBQM-JXXFODFXSA-N -1 3 402.516 3.856 20 0 HHADHM COc1ccccc1-c1noc([C@H](C)[N-]S(=O)(=O)c2cccc(Cl)c2C)n1 ZINC000462655664 985595925 /nfs/dbraw/zinc/59/59/25/985595925.db2.gz ACBLATVADOCVLC-LBPRGKRZSA-N -1 3 407.879 3.747 20 0 HHADHM COc1cccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccc4c(c3)CCCC4)n2)c1 ZINC000462665057 985603725 /nfs/dbraw/zinc/60/37/25/985603725.db2.gz RMUQYSKNDFOSOB-AWEZNQCLSA-N -1 3 413.499 3.664 20 0 HHADHM COc1ccccc1-c1noc([C@H](C)[N-]S(=O)(=O)c2ccc(C)c3ncccc23)n1 ZINC000462666703 985605804 /nfs/dbraw/zinc/60/58/04/985605804.db2.gz XBTPGOFPOLJTMH-AWEZNQCLSA-N -1 3 424.482 3.641 20 0 HHADHM COc1cccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3cccc4cc(C)cnc43)n2)c1 ZINC000462677190 985616083 /nfs/dbraw/zinc/61/60/83/985616083.db2.gz LHTRLGWEXXKCSB-AWEZNQCLSA-N -1 3 424.482 3.641 20 0 HHADHM Cc1ccc(-n2[n-]c(C(=O)NC[C@H](c3ccccc3)N3CCC(C)CC3)cc2=O)cc1 ZINC000467974077 985617586 /nfs/dbraw/zinc/61/75/86/985617586.db2.gz RKTAUBIIMALJEC-HSZRJFAPSA-N -1 3 418.541 3.677 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@H](C)Oc2cccc(F)c2)s1 ZINC000462709021 985654406 /nfs/dbraw/zinc/65/44/06/985654406.db2.gz UQNHZSDPGCMSHB-SECBINFHSA-N -1 3 408.314 3.704 20 0 HHADHM CC(C)(C)C[C@H](CO)[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000443491438 985665821 /nfs/dbraw/zinc/66/58/21/985665821.db2.gz QELFTVAKAUYFLB-SNVBAGLBSA-N -1 3 418.275 3.543 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@H](C)Oc2ccccc2C)s1 ZINC000462723467 985670592 /nfs/dbraw/zinc/67/05/92/985670592.db2.gz ZYTLJIHPRGPOCZ-NSHDSACASA-N -1 3 404.351 3.873 20 0 HHADHM O=S(=O)(NCc1ccc([O-])c(Br)c1)c1ccccc1C(F)(F)F ZINC000443498280 985671076 /nfs/dbraw/zinc/67/10/76/985671076.db2.gz FTUHELVFGIQDEG-UHFFFAOYSA-N -1 3 410.211 3.652 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]CCc1cc2ccccc2[nH]1 ZINC000443507811 985678994 /nfs/dbraw/zinc/67/89/94/985678994.db2.gz JEBRMNNXGFLHCH-UHFFFAOYSA-N -1 3 414.508 3.690 20 0 HHADHM Cc1cc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000443617374 985794701 /nfs/dbraw/zinc/79/47/01/985794701.db2.gz WGJBUVOASAZJRY-UHFFFAOYSA-N -1 3 422.916 3.769 20 0 HHADHM Cc1nc(-c2ccc(N[C@H](c3nccn3C)c3ccc(F)cc3)nc2)[n-]c(=O)c1C ZINC000462919115 985852328 /nfs/dbraw/zinc/85/23/28/985852328.db2.gz MVULRIFLYFRKOA-IBGZPJMESA-N -1 3 404.449 3.935 20 0 HHADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc2[nH]ncc2c(C)c1 ZINC000468349398 986045759 /nfs/dbraw/zinc/04/57/59/986045759.db2.gz ZKBJJTOPNFSVGK-LBPRGKRZSA-N -1 3 409.895 3.739 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)c1 ZINC000463211692 986183546 /nfs/dbraw/zinc/18/35/46/986183546.db2.gz QMXQUNAEKAPGDJ-DYESRHJHSA-N -1 3 421.453 3.591 20 0 HHADHM COc1cc(F)c(S(=O)(=O)[N-]c2cccc(CN3CCCCC3)c2)cc1OC ZINC000444037456 986234964 /nfs/dbraw/zinc/23/49/64/986234964.db2.gz VJWKHJYSMIEINQ-UHFFFAOYSA-N -1 3 408.495 3.630 20 0 HHADHM Cc1oc2ncnc([N-]C(=O)c3ccc(S(=O)(=O)c4ccccc4)s3)c2c1C ZINC000468545607 986251863 /nfs/dbraw/zinc/25/18/63/986251863.db2.gz ZOQYWKMHTJLVKX-UHFFFAOYSA-N -1 3 413.480 3.986 20 0 HHADHM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000463290279 986257384 /nfs/dbraw/zinc/25/73/84/986257384.db2.gz ROJMJRIDLDQCTD-HFTRVMKXSA-N -1 3 412.552 3.769 20 0 HHADHM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000463290280 986257464 /nfs/dbraw/zinc/25/74/64/986257464.db2.gz ROJMJRIDLDQCTD-KYJSFNMBSA-N -1 3 412.552 3.769 20 0 HHADHM C[C@@H](c1ccsc1)N1CCN(C(=O)NCc2ccc([O-])c(Br)c2)CC1 ZINC000463299876 986268193 /nfs/dbraw/zinc/26/81/93/986268193.db2.gz BUIGNVHNKXOLSY-ZDUSSCGKSA-N -1 3 424.364 3.805 20 0 HHADHM C[C@@H]([N-]S(=O)(=O)c1cnc(-c2ccccc2)nc1)c1nc(C(C)(C)C)cs1 ZINC000444091125 986289968 /nfs/dbraw/zinc/28/99/68/986289968.db2.gz OEJUXCYSSRWZKQ-CYBMUJFWSA-N -1 3 402.545 3.937 20 0 HHADHM Cc1[nH]n(Cc2ccc(F)cc2)c2nnc([N-]C(=O)c3cc(-c4ccccn4)no3)c1-2 ZINC000468590034 986298841 /nfs/dbraw/zinc/29/88/41/986298841.db2.gz SUCDPSOFQNTACH-UHFFFAOYSA-N -1 3 417.404 3.558 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)NCCC(=O)Nc1ccc(Br)cc1 ZINC000468643848 986358623 /nfs/dbraw/zinc/35/86/23/986358623.db2.gz UTZWUIYQEJZZQL-UHFFFAOYSA-N -1 3 423.282 3.762 20 0 HHADHM Cc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000444214060 986398288 /nfs/dbraw/zinc/39/82/88/986398288.db2.gz QFUHVLJNCKYGER-UHFFFAOYSA-N -1 3 401.301 3.759 20 0 HHADHM Cc1nc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)cn1C ZINC000444221271 986407350 /nfs/dbraw/zinc/40/73/50/986407350.db2.gz OOOOHPAFFZOTIV-LBPRGKRZSA-N -1 3 415.359 3.719 20 0 HHADHM O=S(=O)([N-]CC1CCN(CC(F)(F)F)CC1)c1cc(Cl)ccc1Cl ZINC000444229489 986416768 /nfs/dbraw/zinc/41/67/68/986416768.db2.gz XIWWDMLWBNFGHY-UHFFFAOYSA-N -1 3 405.269 3.546 20 0 HHADHM COc1cc(C(=O)NCc2cc3cc(Br)ccc3[nH]2)cc(OC)c1[O-] ZINC000468738404 986451687 /nfs/dbraw/zinc/45/16/87/986451687.db2.gz HQHSHTYZLLWWBO-UHFFFAOYSA-N -1 3 405.248 3.583 20 0 HHADHM CC(=O)N(C)c1cccc(NC(=O)c2c[n-]c3ccc(Br)cc3c2=O)c1 ZINC000444298032 986484130 /nfs/dbraw/zinc/48/41/30/986484130.db2.gz LSBNOKSVNDGCNF-UHFFFAOYSA-N -1 3 414.259 3.526 20 0 HHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)[C@@H]2CCCc3cccnc32)CC1 ZINC000444300661 986486388 /nfs/dbraw/zinc/48/63/88/986486388.db2.gz ACCOIHCBFNWVMM-QGZVFWFLSA-N -1 3 413.905 3.738 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)Cc2cccc(Cl)c2Cl)cc1OC ZINC000468831990 986542074 /nfs/dbraw/zinc/54/20/74/986542074.db2.gz DAKHJZOTZOLGJW-UHFFFAOYSA-N -1 3 417.314 3.945 20 0 HHADHM CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000468866951 986575870 /nfs/dbraw/zinc/57/58/70/986575870.db2.gz GXOXTQUXJBKXAW-HNNXBMFYSA-N -1 3 422.522 3.711 20 0 HHADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CC[C@@H](CC(F)(F)F)C1 ZINC000444405351 986586209 /nfs/dbraw/zinc/58/62/09/986586209.db2.gz QZPSQAWNRSMODN-VIFPVBQESA-N -1 3 403.198 3.705 20 0 HHADHM C[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)c1cccc(O)c1 ZINC000444432077 986617095 /nfs/dbraw/zinc/61/70/95/986617095.db2.gz FAXAEWPHHHTXMW-AWEZNQCLSA-N -1 3 414.458 3.823 20 0 HHADHM Cc1n[nH]cc1-c1nnc([N-]C(=O)c2csc(Cc3cccc(F)c3)n2)s1 ZINC000444468714 986651549 /nfs/dbraw/zinc/65/15/49/986651549.db2.gz VUQHFJPLCNUUDX-UHFFFAOYSA-N -1 3 400.464 3.675 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000468949481 986653544 /nfs/dbraw/zinc/65/35/44/986653544.db2.gz KLZVXLLTTFIDQT-UHFFFAOYSA-N -1 3 412.505 3.548 20 0 HHADHM CCOC(=O)C[C@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)c1ccc(F)cc1 ZINC000463675072 986658309 /nfs/dbraw/zinc/65/83/09/986658309.db2.gz CNTQBNGMIXBBDX-HNNXBMFYSA-N -1 3 403.834 3.591 20 0 HHADHM Cc1nn(Cc2ccccc2)c(C)c1C[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000463692106 986675378 /nfs/dbraw/zinc/67/53/78/986675378.db2.gz CTJUZDPIROUAML-UHFFFAOYSA-N -1 3 407.898 3.819 20 0 HHADHM C[C@@H](CC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)c(Br)c1 ZINC000463722781 986707690 /nfs/dbraw/zinc/70/76/90/986707690.db2.gz QTBNORJJWOFHHC-JTQLQIEISA-N -1 3 404.243 3.901 20 0 HHADHM C[C@@H](CC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)c(Br)c1 ZINC000463722781 986707701 /nfs/dbraw/zinc/70/77/01/986707701.db2.gz QTBNORJJWOFHHC-JTQLQIEISA-N -1 3 404.243 3.901 20 0 HHADHM CCc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)Cc3ccc(C)c(F)c3)n2)cc1 ZINC000469025421 986735275 /nfs/dbraw/zinc/73/52/75/986735275.db2.gz SLXIBVBCPIDPTA-CQSZACIVSA-N -1 3 403.479 3.927 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000469061046 986773311 /nfs/dbraw/zinc/77/33/11/986773311.db2.gz UNNMAFOWBVPZQO-UHFFFAOYSA-N -1 3 402.441 3.870 20 0 HHADHM COc1cccc(OC)c1OC1CCN(C(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000469078065 986790790 /nfs/dbraw/zinc/79/07/90/986790790.db2.gz TZTYMOLVINDIEW-UHFFFAOYSA-N -1 3 417.477 3.941 20 0 HHADHM Cc1c(NC(=O)CCCc2ccc([O-])c(F)c2)cccc1C(=O)N1CCSCC1 ZINC000469099585 986814749 /nfs/dbraw/zinc/81/47/49/986814749.db2.gz ZRSAONRCKXZRBK-UHFFFAOYSA-N -1 3 416.518 3.990 20 0 HHADHM O=C(C[C@H]1COCCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1)c1cccs1 ZINC000444629334 986815986 /nfs/dbraw/zinc/81/59/86/986815986.db2.gz CTTPXWMOSCLEGL-ZDUSSCGKSA-N -1 3 409.467 3.617 20 0 HHADHM CCOC(=O)c1nc(C2CCN(C(=O)c3cccc(Oc4ccccc4)c3)CC2)n[n-]1 ZINC000444658370 986837857 /nfs/dbraw/zinc/83/78/57/986837857.db2.gz FVHQWJHCCLYSSK-UHFFFAOYSA-N -1 3 420.469 3.794 20 0 HHADHM CCOC(=O)c1nnc(C2CCN(C(=O)c3cccc(Oc4ccccc4)c3)CC2)[n-]1 ZINC000444658370 986837871 /nfs/dbraw/zinc/83/78/71/986837871.db2.gz FVHQWJHCCLYSSK-UHFFFAOYSA-N -1 3 420.469 3.794 20 0 HHADHM Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000469175113 986900042 /nfs/dbraw/zinc/90/00/42/986900042.db2.gz YZIAFGMRQDSYCF-SFHVURJKSA-N -1 3 402.491 3.703 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1cccc(C(=O)NCc2ccccn2)c1 ZINC000469242281 986962494 /nfs/dbraw/zinc/96/24/94/986962494.db2.gz ZHHAKWAEYFDYHI-UHFFFAOYSA-N -1 3 407.445 3.818 20 0 HHADHM CCc1ccc(CS(=O)(=O)[N-][C@H](c2nc(-c3ccncc3)no2)C(C)C)cc1 ZINC000469276266 986995536 /nfs/dbraw/zinc/99/55/36/986995536.db2.gz UQKUOJQWSXSYCP-SFHVURJKSA-N -1 3 400.504 3.511 20 0 HHADHM CCOC(=O)c1nc(C2CCN(C(=O)N[C@H](c3ccccc3)C(C)(C)C)CC2)n[n-]1 ZINC000444848354 987006128 /nfs/dbraw/zinc/00/61/28/987006128.db2.gz NFIJCULPAPPUEK-QGZVFWFLSA-N -1 3 413.522 3.658 20 0 HHADHM CCOC(=O)c1nnc(C2CCN(C(=O)N[C@H](c3ccccc3)C(C)(C)C)CC2)[n-]1 ZINC000444848354 987006138 /nfs/dbraw/zinc/00/61/38/987006138.db2.gz NFIJCULPAPPUEK-QGZVFWFLSA-N -1 3 413.522 3.658 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)NCCc1nc(-c2cccc(Cl)c2)no1 ZINC000469386690 987085506 /nfs/dbraw/zinc/08/55/06/987085506.db2.gz RQGZVYNAEGDPLN-UHFFFAOYSA-N -1 3 403.841 3.916 20 0 HHADHM O=C(NCc1ccc([O-])c(F)c1)C(=O)Nc1ccccc1Oc1cc(F)cc(F)c1 ZINC000469628894 987289262 /nfs/dbraw/zinc/28/92/62/987289262.db2.gz AQUKZXXCYOBHCT-UHFFFAOYSA-N -1 3 416.355 3.857 20 0 HHADHM CC1(C)CN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)CCS1 ZINC000469722803 987374769 /nfs/dbraw/zinc/37/47/69/987374769.db2.gz HUKNHXVXARKRPL-UHFFFAOYSA-N -1 3 415.740 3.912 20 0 HHADHM COc1cc(-c2nc(CC(=O)Nc3ccc(Cl)cc3Cl)no2)cc(OC)c1[O-] ZINC000445374571 987430977 /nfs/dbraw/zinc/43/09/77/987430977.db2.gz WFZKMLICXYRSGC-UHFFFAOYSA-N -1 3 424.240 3.947 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCNC(=O)[C@@H]1c1ccccc1C(F)(F)F ZINC000469800743 987442266 /nfs/dbraw/zinc/44/22/66/987442266.db2.gz SHJWHUNQECSTRP-IBGZPJMESA-N -1 3 424.394 3.573 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCc2c(ncn2CCc2ccccc2)C1 ZINC000469820605 987458018 /nfs/dbraw/zinc/45/80/18/987458018.db2.gz QOWKKFVWOSCDCY-UHFFFAOYSA-N -1 3 407.489 3.878 20 0 HHADHM O=C(Cc1noc(-c2cc3ccccc3cc2[O-])n1)N1CCn2c3ccccc3nc21 ZINC000445487031 987547212 /nfs/dbraw/zinc/54/72/12/987547212.db2.gz CQTBIUBTMOXNCE-UHFFFAOYSA-N -1 3 411.421 3.534 20 0 HHADHM O=S(=O)([N-]CCc1nc(-c2ccc(Cl)o2)no1)c1c(Cl)cccc1Cl ZINC000445594641 987661905 /nfs/dbraw/zinc/66/19/05/987661905.db2.gz VITGONWELYARQI-UHFFFAOYSA-N -1 3 422.677 3.811 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)C[C@@H]3CCCCO3)ccc2C)cc1 ZINC000445644383 987718240 /nfs/dbraw/zinc/71/82/40/987718240.db2.gz GHMFTGMBZDEUNM-IBGZPJMESA-N -1 3 418.515 3.702 20 0 HHADHM CCCCS(=O)(=O)[N-]Cc1nc(C(C)(C)c2ccc(OC(F)(F)F)cc2)no1 ZINC000445753230 987814781 /nfs/dbraw/zinc/81/47/81/987814781.db2.gz SGNSMVLSNNAFQX-UHFFFAOYSA-N -1 3 421.441 3.514 20 0 HHADHM COc1ccc(C2(c3noc(Cc4c(C)nc(C)[n-]c4=O)n3)CCCC2)cc1OC ZINC000445827105 987896071 /nfs/dbraw/zinc/89/60/71/987896071.db2.gz MBFAJHGZKUWROX-UHFFFAOYSA-N -1 3 410.474 3.650 20 0 HHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)N[C@@H]3CCSC3)ccc2C)c(C)c1 ZINC000464223131 988339104 /nfs/dbraw/zinc/33/91/04/988339104.db2.gz XKEPNXOBDIKBCG-GOSISDBHSA-N -1 3 418.584 3.956 20 0 HHADHM O=S(=O)([N-]c1ccc(Cc2nnc3n2CCCCC3)cc1)c1ccc2c(c1)CCC2 ZINC000464423594 988595555 /nfs/dbraw/zinc/59/55/55/988595555.db2.gz VFBXGXMKRKXFEK-UHFFFAOYSA-N -1 3 422.554 3.885 20 0 HHADHM CC[S@](=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2oc3ccc(Cl)cc3c2C)C1 ZINC000470600513 988617687 /nfs/dbraw/zinc/61/76/87/988617687.db2.gz IEGIBABEDVFATI-LCHIKPRUSA-N -1 3 403.953 3.753 20 0 HHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CCCN(C(=O)C1CCC1)C1CC1 ZINC000470610373 988628691 /nfs/dbraw/zinc/62/86/91/988628691.db2.gz FAZVMUKHFGCADK-UHFFFAOYSA-N -1 3 424.950 3.854 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCc2nc3ccccc3s2)s1 ZINC000470773420 988820168 /nfs/dbraw/zinc/82/01/68/988820168.db2.gz OEFRUIMCXCPUKX-UHFFFAOYSA-N -1 3 417.375 3.950 20 0 HHADHM O=c1c([N-]S(=O)(=O)c2cccc(Cl)c2Cl)cccn1CC(F)(F)F ZINC000464841555 989087939 /nfs/dbraw/zinc/08/79/39/989087939.db2.gz YLRYTXHIRZPBML-UHFFFAOYSA-N -1 3 401.193 3.518 20 0 HHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C1CCN(Cc2ccc(F)cc2)CC1 ZINC000471311691 989472800 /nfs/dbraw/zinc/47/28/00/989472800.db2.gz UZYVCVQRHCDKNU-UHFFFAOYSA-N -1 3 420.481 3.962 20 0 HHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](CN1CCCC1=O)c1ccccc1 ZINC000471327086 989486556 /nfs/dbraw/zinc/48/65/56/989486556.db2.gz HWJUDKFEKOXUQZ-GOSISDBHSA-N -1 3 416.474 3.522 20 0 HHADHM CCCCn1c2nc(-c3cc([O-])cc(F)c3)n(Cc3ccccc3)c2c(=O)[nH]c1=O ZINC000471426938 989604918 /nfs/dbraw/zinc/60/49/18/989604918.db2.gz KSIFQXBWOVGKJM-UHFFFAOYSA-N -1 3 408.433 3.659 20 0 HHADHM CCc1ccccc1NC(=O)CN1CCN(C(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000471615798 989820818 /nfs/dbraw/zinc/82/08/18/989820818.db2.gz XRNNVHTWSAVNOL-UHFFFAOYSA-N -1 3 417.509 3.504 20 0 HHADHM CCOC(=O)c1sc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)nc1C ZINC000465495570 989844954 /nfs/dbraw/zinc/84/49/54/989844954.db2.gz SKQVCXBVPCOFNF-SECBINFHSA-N -1 3 423.343 3.975 20 0 HHADHM O=C1C[C@H]([N-]S(=O)(=O)c2cc(Cl)c(Br)cc2F)c2ccccc21 ZINC000471644707 989850708 /nfs/dbraw/zinc/85/07/08/989850708.db2.gz CBMXRRUVFBTRDH-ZDUSSCGKSA-N -1 3 418.671 3.848 20 0 HHADHM CC(C)Oc1cc(Br)cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000471672811 989878042 /nfs/dbraw/zinc/87/80/42/989878042.db2.gz YTZKQRPQQHTOHI-UHFFFAOYSA-N -1 3 402.252 3.669 20 0 HHADHM CC(C)Oc1cc(Br)cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000471672811 989878047 /nfs/dbraw/zinc/87/80/47/989878047.db2.gz YTZKQRPQQHTOHI-UHFFFAOYSA-N -1 3 402.252 3.669 20 0 HHADHM COc1cc([C@H](C)NC(=O)NCc2ncccc2[O-])ccc1OCc1ccccc1 ZINC000471686790 989890668 /nfs/dbraw/zinc/89/06/68/989890668.db2.gz VJWGEGBRUQGRDZ-INIZCTEOSA-N -1 3 407.470 3.935 20 0 HHADHM O=C(NCc1ncccc1[O-])NCC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000471728351 989924755 /nfs/dbraw/zinc/92/47/55/989924755.db2.gz POMPVAHWCALEII-UHFFFAOYSA-N -1 3 410.301 3.642 20 0 HHADHM COc1ccc([C@@H](Cc2ccccc2C)NC(=O)NCc2ncccc2[O-])cc1OC ZINC000471771638 989962008 /nfs/dbraw/zinc/96/20/08/989962008.db2.gz NXBXBIDMVFRFFQ-LJQANCHMSA-N -1 3 421.497 3.896 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)CCc2cnc3ccccc3c2)cc1OC ZINC000471791249 989977399 /nfs/dbraw/zinc/97/73/99/989977399.db2.gz WKVNVUSOKATTCA-UHFFFAOYSA-N -1 3 413.499 3.576 20 0 HHADHM O=C(NCCCCSc1ccccc1Br)NCc1ncccc1[O-] ZINC000471889129 990062775 /nfs/dbraw/zinc/06/27/75/990062775.db2.gz NGKOFWBVBPARJQ-UHFFFAOYSA-N -1 3 410.337 3.921 20 0 HHADHM O=C1CCCN1c1ccc(Cl)c([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)c1 ZINC000471936030 990100709 /nfs/dbraw/zinc/10/07/09/990100709.db2.gz WMRNLLVIWNDPAH-UHFFFAOYSA-N -1 3 407.854 3.888 20 0 HHADHM CC[C@]1(C)C[C@H]1C(=O)NCc1cccc([N-]S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000466259350 991504682 /nfs/dbraw/zinc/50/46/82/991504682.db2.gz MPSIDKQLFVIHMY-PZJWPPBQSA-N -1 3 402.516 3.548 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)NCCc3nc(C(F)(F)F)cs3)cc2)cc(=O)[n-]1 ZINC000466445954 991735021 /nfs/dbraw/zinc/73/50/21/991735021.db2.gz MNAZCZJAIIORHC-UHFFFAOYSA-N -1 3 423.420 3.997 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)N[C@@H]3CCN(c4ncccc4Cl)C3)cc2)cc(=O)[n-]1 ZINC000466533127 991833893 /nfs/dbraw/zinc/83/38/93/991833893.db2.gz VHZFHFOQPOWTSZ-MRXNPFEDSA-N -1 3 424.892 3.606 20 0 HHADHM O=S(=O)([N-][C@H]1CCN(c2ncccc2Cl)C1)c1cccc(Cl)c1Cl ZINC000467117672 992432024 /nfs/dbraw/zinc/43/20/24/992432024.db2.gz SGBOOURZIBVUEC-JTQLQIEISA-N -1 3 406.722 3.599 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc(C)cc2OCCCC(C)C)c(C)o1 ZINC000467215143 992539963 /nfs/dbraw/zinc/53/99/63/992539963.db2.gz SGTCKDVKLYAUCM-UHFFFAOYSA-N -1 3 422.547 3.550 20 0 HHADHM Cc1ccc([O-])c(CN(C)Cc2cccc(Br)c2OCC(C)(C)O)n1 ZINC000467350943 992670731 /nfs/dbraw/zinc/67/07/31/992670731.db2.gz WEASDDIQDVTSAW-UHFFFAOYSA-N -1 3 409.324 3.640 20 0 HHADHM CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC[C@H]3C)cc2C)cc1 ZINC000467427288 992726847 /nfs/dbraw/zinc/72/68/47/992726847.db2.gz BXBFVBBHMLZZTF-MRXNPFEDSA-N -1 3 401.532 3.534 20 0 HHADHM COc1cccc(N2CC[C@H](C[N-]S(=O)(=O)c3oc4ccc(F)cc4c3C)C2)c1 ZINC000472102831 993153883 /nfs/dbraw/zinc/15/38/83/993153883.db2.gz WZUVUNNIGVNXKE-OAHLLOKOSA-N -1 3 418.490 3.694 20 0 HHADHM C[C@](NC(=O)c1cc([O-])c2ccccc2c1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000472259711 993285162 /nfs/dbraw/zinc/28/51/62/993285162.db2.gz QWUKLQMDDOZSJV-HXUWFJFHSA-N -1 3 402.372 3.695 20 0 HHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000472319109 993330493 /nfs/dbraw/zinc/33/04/93/993330493.db2.gz ZTCTZHMLKOZQIY-INIZCTEOSA-N -1 3 424.950 3.854 20 0 HHADHM CC[C@@H]1CN(C(C)=O)[C@H](CC)CN1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000472341827 993347741 /nfs/dbraw/zinc/34/77/41/993347741.db2.gz AJRJXNGYIMZTOM-HUUCEWRRSA-N -1 3 414.531 3.878 20 0 HHADHM COCCC1(CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)CCC1 ZINC000472427221 993426283 /nfs/dbraw/zinc/42/62/83/993426283.db2.gz NYGBTRYKHMGVJX-UHFFFAOYSA-N -1 3 420.506 3.563 20 0 HHADHM COC(=O)[C@H](NC(=O)c1cc([O-])c2ccccc2c1)c1ccc(OC(F)F)cc1 ZINC000472469649 993471761 /nfs/dbraw/zinc/47/17/61/993471761.db2.gz KONLLAKBSUNSRF-GOSISDBHSA-N -1 3 401.365 3.791 20 0 HHADHM COc1ccccc1[C@@H](C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)OC(C)C ZINC000472625392 993568558 /nfs/dbraw/zinc/56/85/58/993568558.db2.gz YFCXLECTESIWMT-QGZVFWFLSA-N -1 3 403.422 3.557 20 0 HHADHM CCOC(=O)[C@@H]([N-]S(=O)(=O)Cc1cccc2cccnc21)c1cccc(C)c1C ZINC000472760457 993699380 /nfs/dbraw/zinc/69/93/80/993699380.db2.gz WRFIZRNIMFSKIZ-NRFANRHFSA-N -1 3 412.511 3.575 20 0 HHADHM COC(=O)[C@@H]([N-]S(=O)(=O)c1cccc(C(C)C)c1)c1ccc(OC)c(Cl)c1 ZINC000472949588 993881242 /nfs/dbraw/zinc/88/12/42/993881242.db2.gz HFDPLNIOJCAIOE-SFHVURJKSA-N -1 3 411.907 3.665 20 0 HHADHM COC(=O)[C@@H]([N-]S(=O)(=O)c1cccc2ccccc21)c1ccc(OC)c(Cl)c1 ZINC000472952543 993884575 /nfs/dbraw/zinc/88/45/75/993884575.db2.gz MBPMAQNMBXIAGB-IBGZPJMESA-N -1 3 419.886 3.694 20 0 HHADHM O=C(C[C@H]1COCCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1)c1ccccc1 ZINC000473041682 993960131 /nfs/dbraw/zinc/96/01/31/993960131.db2.gz OCMRGRRKVKLGFE-INIZCTEOSA-N -1 3 403.438 3.555 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCCCCO3)c2)cc1 ZINC000473050870 993970851 /nfs/dbraw/zinc/97/08/51/993970851.db2.gz WFQPNUMFYMBXAU-UHFFFAOYSA-N -1 3 418.515 3.752 20 0 HHADHM C[C@@H](Sc1ccccc1)c1ccc(NC(=O)C(=O)NCc2ncccc2[O-])cc1 ZINC000473056380 993976421 /nfs/dbraw/zinc/97/64/21/993976421.db2.gz FHHQNRYWJJRRSL-OAHLLOKOSA-N -1 3 407.495 3.895 20 0 HHADHM CC[C@H](C)N[C@H](CNC(=O)N=c1nc(-c2sccc2C)[n-]s1)c1ccco1 ZINC000481377509 994208507 /nfs/dbraw/zinc/20/85/07/994208507.db2.gz KDWLRUPAXHENNI-QWHCGFSZSA-N -1 3 405.549 3.841 20 0 HHADHM C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000473396775 994250950 /nfs/dbraw/zinc/25/09/50/994250950.db2.gz XUDDYIGOYMNHDE-QPUJVOFHSA-N -1 3 403.198 3.704 20 0 HHADHM COCCc1ccc(S(=O)(=O)[N-]c2cc(Br)c(F)cc2C)cc1 ZINC000473423942 994275944 /nfs/dbraw/zinc/27/59/44/994275944.db2.gz WFTWAUVDJQMQMG-UHFFFAOYSA-N -1 3 402.285 3.886 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)c1cccc(F)c1Br ZINC000481451698 994287886 /nfs/dbraw/zinc/28/78/86/994287886.db2.gz JJGVVTJNFUIYTK-UHFFFAOYSA-N -1 3 403.045 3.986 20 0 HHADHM Cc1ccc([C@H]2CCN(C(=O)CCc3c(C)nc(-c4ccncc4)[n-]c3=O)C2)c(C)c1 ZINC000473521133 994376320 /nfs/dbraw/zinc/37/63/20/994376320.db2.gz DZZWGFBXVODLLN-FQEVSTJZSA-N -1 3 416.525 3.706 20 0 HHADHM CC(=O)Nc1cc(S(=O)(=O)Nc2cc(F)ccc2SCC(F)F)ccc1[O-] ZINC000481587838 994431757 /nfs/dbraw/zinc/43/17/57/994431757.db2.gz RHWKPEHBGYTANF-UHFFFAOYSA-N -1 3 420.434 3.648 20 0 HHADHM Cc1ccccc1-n1ncc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1C(F)(F)F ZINC000481645357 994509972 /nfs/dbraw/zinc/50/99/72/994509972.db2.gz ZXYHWDGNYXQYBK-UHFFFAOYSA-N -1 3 413.363 3.632 20 0 HHADHM Cc1ccccc1-n1ncc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)c1C(F)(F)F ZINC000481645357 994509984 /nfs/dbraw/zinc/50/99/84/994509984.db2.gz ZXYHWDGNYXQYBK-UHFFFAOYSA-N -1 3 413.363 3.632 20 0 HHADHM O=C(NCc1ncccc1[O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cccc(Cl)c1 ZINC000473634836 994515307 /nfs/dbraw/zinc/51/53/07/994515307.db2.gz ZOTGTSCZUPWTAE-ZMYBRWDISA-N -1 3 413.905 3.530 20 0 HHADHM COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)NCc2ncccc2[O-])c1 ZINC000473636200 994517725 /nfs/dbraw/zinc/51/77/25/994517725.db2.gz OFNXXNUZQJKBJX-UHFFFAOYSA-N -1 3 414.465 3.887 20 0 HHADHM CCOC(=O)CC(=O)CS[C@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000481759883 994612304 /nfs/dbraw/zinc/61/23/04/994612304.db2.gz HVSWGTROYVGAJI-SNVBAGLBSA-N -1 3 406.485 3.973 20 0 HHADHM CCOC(=O)c1oc2ccc(S(=O)(=O)[N-]c3ccc4[nH]c(C)nc4c3)cc2c1C ZINC000473766722 994684812 /nfs/dbraw/zinc/68/48/12/994684812.db2.gz PNCGEHPGTOIGKT-UHFFFAOYSA-N -1 3 413.455 3.903 20 0 HHADHM CCOC(=O)c1oc2ccc(S(=O)(=O)[N-]c3ccc4nc(C)[nH]c4c3)cc2c1C ZINC000473766722 994684817 /nfs/dbraw/zinc/68/48/17/994684817.db2.gz PNCGEHPGTOIGKT-UHFFFAOYSA-N -1 3 413.455 3.903 20 0 HHADHM CO[C@]1(C)CCCN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)C1 ZINC000473828435 994758943 /nfs/dbraw/zinc/75/89/43/994758943.db2.gz JXOTVJMVXADHBQ-QGZVFWFLSA-N -1 3 413.699 3.585 20 0 HHADHM Cc1c2cc(Br)ccc2oc1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000481912806 994784822 /nfs/dbraw/zinc/78/48/22/994784822.db2.gz BSVKWLHHGFNWFX-UHFFFAOYSA-N -1 3 403.158 3.571 20 0 HHADHM O=S(=O)([N-]c1ccncc1Br)c1cc(C(F)(F)F)ccc1Cl ZINC000481964160 994852477 /nfs/dbraw/zinc/85/24/77/994852477.db2.gz VANXXCIGFZTAHZ-UHFFFAOYSA-N -1 3 415.618 3.739 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CCOC(C)C)ccc2C)cc1 ZINC000482096587 995039578 /nfs/dbraw/zinc/03/95/78/995039578.db2.gz BQBQYFORCPTXDW-UHFFFAOYSA-N -1 3 406.504 3.558 20 0 HHADHM CCO[C@H](CC[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F)C1CCCC1 ZINC000474200079 995194936 /nfs/dbraw/zinc/19/49/36/995194936.db2.gz VGTQIOKFAFXHFH-QGZVFWFLSA-N -1 3 420.934 3.701 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1ccccc1C(=O)c1ccc(Cl)cc1 ZINC000482211807 995195549 /nfs/dbraw/zinc/19/55/49/995195549.db2.gz NEENJBVAGLMJNI-UHFFFAOYSA-N -1 3 408.767 3.638 20 0 HHADHM Cc1ccc(Sc2ncccc2C(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1C ZINC000482211925 995195578 /nfs/dbraw/zinc/19/55/78/995195578.db2.gz OPXFBYBSRVRRCL-UHFFFAOYSA-N -1 3 407.421 3.917 20 0 HHADHM Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000482214109 995198273 /nfs/dbraw/zinc/19/82/73/995198273.db2.gz PRSCVQPGYDRJIC-UHFFFAOYSA-N -1 3 409.315 3.690 20 0 HHADHM CC(C)c1c(C(=O)NCc2nc(C(F)(F)F)n[n-]2)cnn1-c1cccc(Cl)c1 ZINC000482215984 995200876 /nfs/dbraw/zinc/20/08/76/995200876.db2.gz RHYURLOOIVEINX-UHFFFAOYSA-N -1 3 412.803 3.716 20 0 HHADHM Cc1nn(-c2ccccc2C)c2sc(C(=O)NCc3nc(C(F)(F)F)n[n-]3)cc12 ZINC000482227828 995212445 /nfs/dbraw/zinc/21/24/45/995212445.db2.gz IPGCCQDAUZEOPM-UHFFFAOYSA-N -1 3 420.420 3.771 20 0 HHADHM CC(C)c1c(C(=O)NCc2nc(C(F)(F)F)n[n-]2)cnn1-c1ccc(Cl)cc1 ZINC000482231111 995214231 /nfs/dbraw/zinc/21/42/31/995214231.db2.gz MAAIIPXHRWAICH-UHFFFAOYSA-N -1 3 412.803 3.716 20 0 HHADHM CCc1cc(Br)cc2sc(NC(=O)Cc3c(C)nc(C)[n-]c3=O)nc21 ZINC000482281102 995260584 /nfs/dbraw/zinc/26/05/84/995260584.db2.gz JBBJKKUQYGJWPW-UHFFFAOYSA-N -1 3 421.320 3.915 20 0 HHADHM O=C(NCc1csc(Br)c1)NCc1ccc([O-])c(Br)c1 ZINC000482281686 995261312 /nfs/dbraw/zinc/26/13/12/995261312.db2.gz FIUXOZUASDPNKU-UHFFFAOYSA-N -1 3 420.126 3.978 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000482325802 995304332 /nfs/dbraw/zinc/30/43/32/995304332.db2.gz CXQJPARXMWYAGG-VIFPVBQESA-N -1 3 401.698 3.580 20 0 HHADHM Cc1ncc(CNC(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)c(=O)[n-]1 ZINC000482326326 995304760 /nfs/dbraw/zinc/30/47/60/995304760.db2.gz FPKBNVNJKMYLKN-GFCCVEGCSA-N -1 3 408.302 3.612 20 0 HHADHM CC(C)COC[C@@H](NC(=O)NCc1ccc([O-])c(Br)c1)c1ccco1 ZINC000482464791 995469118 /nfs/dbraw/zinc/46/91/18/995469118.db2.gz SWCPGKQUPIGFKC-OAHLLOKOSA-N -1 3 411.296 3.961 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC2(Cc3cccc(F)c3)CCC2)c1 ZINC000482477951 995483749 /nfs/dbraw/zinc/48/37/49/995483749.db2.gz MOMRCRKPONIBTA-UHFFFAOYSA-N -1 3 423.444 3.975 20 0 HHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)Cc1cccc(Br)c1 ZINC000474556334 995521435 /nfs/dbraw/zinc/52/14/35/995521435.db2.gz JWKXGOZCPQOLDW-NSHDSACASA-N -1 3 406.324 3.912 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000482579121 995582138 /nfs/dbraw/zinc/58/21/38/995582138.db2.gz KCKCZGFYWSJBAQ-AWEZNQCLSA-N -1 3 424.726 3.886 20 0 HHADHM COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000482587112 995590048 /nfs/dbraw/zinc/59/00/48/995590048.db2.gz DSRHSUZJZIPBOX-HKUYNNGSSA-N -1 3 405.292 3.693 20 0 HHADHM Cc1nc(C)c(CC(=O)N2CCSC[C@H]2c2cccc(C(F)(F)F)c2)c(=O)[n-]1 ZINC000474646272 995591321 /nfs/dbraw/zinc/59/13/21/995591321.db2.gz IYVLVLATGJFECP-INIZCTEOSA-N -1 3 411.449 3.677 20 0 HHADHM Cn1ncc2c1ncc(C(=O)N1CCSC[C@@H]1c1cccc(C(F)(F)F)c1)c2[O-] ZINC000474654562 995599788 /nfs/dbraw/zinc/59/97/88/995599788.db2.gz XCISCGQLSQRCJS-OAHLLOKOSA-N -1 3 422.432 3.623 20 0 HHADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000474776060 995703747 /nfs/dbraw/zinc/70/37/47/995703747.db2.gz RQMSFCXHYMPHKA-UHFFFAOYSA-N -1 3 419.846 3.617 20 0 HHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H]3CCCCN3Cc3ccc(F)cc3)cc2)n1 ZINC000474837290 995741561 /nfs/dbraw/zinc/74/15/61/995741561.db2.gz STNPSYHEADGWJS-NRFANRHFSA-N -1 3 420.488 3.878 20 0 HHADHM COC(=O)C[C@@H](NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)c1ccc(F)cc1 ZINC000475019294 995874841 /nfs/dbraw/zinc/87/48/41/995874841.db2.gz XYPRZSRLWBYIFH-LJQANCHMSA-N -1 3 424.432 3.723 20 0 HHADHM O=C(CCc1c[nH]cn1)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC000475025803 995879076 /nfs/dbraw/zinc/87/90/76/995879076.db2.gz ZAHUPJKZRCHTJM-UHFFFAOYSA-N -1 3 422.869 3.574 20 0 HHADHM CCCNC(=O)c1cccc(NC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000483051310 995942757 /nfs/dbraw/zinc/94/27/57/995942757.db2.gz QZKUBCGEVROUNM-UHFFFAOYSA-N -1 3 406.280 3.616 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)NC[C@H](Cc1ccccc1)c1ccccc1 ZINC000483162503 996011316 /nfs/dbraw/zinc/01/13/16/996011316.db2.gz XVDUXKZPPRIUKA-INIZCTEOSA-N -1 3 403.408 3.649 20 0 HHADHM COc1cc(C(=O)N(C)CCCc2cc(-c3ccccc3)n(C)n2)cc(OC)c1[O-] ZINC000483209816 996039872 /nfs/dbraw/zinc/03/98/72/996039872.db2.gz PNHQDIKSQVAZAV-UHFFFAOYSA-N -1 3 409.486 3.515 20 0 HHADHM O=C(NCCc1ccc(Oc2ccc(F)cc2)cc1)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483211714 996040595 /nfs/dbraw/zinc/04/05/95/996040595.db2.gz PNHATWVLFBTSQP-UHFFFAOYSA-N -1 3 423.370 3.797 20 0 HHADHM COc1ccccc1[C@@](N)(C(=O)Nc1cc(Br)ccc1[O-])C(F)(F)F ZINC000483342324 996110835 /nfs/dbraw/zinc/11/08/35/996110835.db2.gz WXQIMGGXHRJJBX-OAHLLOKOSA-N -1 3 419.197 3.518 20 0 HHADHM COC(=O)c1sc2[n-]c(CN3CCc4c(cccc4C(C)C)C3)nc(=O)c2c1C ZINC000475411007 996122408 /nfs/dbraw/zinc/12/24/08/996122408.db2.gz 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CCc1onc(-c2ccccc2)c1C(=O)[N-]c1cc(S(=O)(=O)N(C)C)ccc1F ZINC000483691228 996331290 /nfs/dbraw/zinc/33/12/90/996331290.db2.gz YUFIKQKIEWVACH-UHFFFAOYSA-N -1 3 417.462 3.546 20 0 HHADHM Cc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(OCc3ccccn3)cc2)cc1F ZINC000475742782 996341718 /nfs/dbraw/zinc/34/17/18/996341718.db2.gz TZZYYEBKZUAHGO-UHFFFAOYSA-N -1 3 404.438 3.726 20 0 HHADHM Cc1cc(F)c(S(=O)(=O)[N-][C@H](c2nccn2C)c2ccc(Cl)cc2)cc1F ZINC000475748623 996346615 /nfs/dbraw/zinc/34/66/15/996346615.db2.gz PAVNLVYYBFDXJA-KRWDZBQOSA-N -1 3 411.861 3.728 20 0 HHADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OCCCOC)c1nc(C)cs1 ZINC000475790080 996372890 /nfs/dbraw/zinc/37/28/90/996372890.db2.gz SYDWSKHAMIJGDV-CQSZACIVSA-N -1 3 418.968 3.950 20 0 HHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cn(C)nc3-c3ccc(Cl)s3)nc21 ZINC000475917089 996469737 /nfs/dbraw/zinc/46/97/37/996469737.db2.gz GBNWVYNHGMBSOY-UHFFFAOYSA-N -1 3 415.862 3.717 20 0 HHADHM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3nc(-c4ccccn4)[nH]c3c2)c1 ZINC000484111368 996576171 /nfs/dbraw/zinc/57/61/71/996576171.db2.gz RCUWNSHLOHECLJ-UHFFFAOYSA-N -1 3 422.466 3.602 20 0 HHADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000484255690 996662030 /nfs/dbraw/zinc/66/20/30/996662030.db2.gz CKRYSSXQXOIOTA-QGZVFWFLSA-N -1 3 404.800 3.673 20 0 HHADHM CC[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(Cl)ccc1OCCCOC ZINC000476192122 996668626 /nfs/dbraw/zinc/66/86/26/996668626.db2.gz LMIZLKFBZAPDAZ-GFCCVEGCSA-N -1 3 403.850 3.765 20 0 HHADHM COC(=O)c1cc([N-]S(=O)(=O)c2cccc(Br)c2C)c(F)cc1F ZINC000476282139 996729099 /nfs/dbraw/zinc/72/90/99/996729099.db2.gz KKHVJHVVLTXQDZ-UHFFFAOYSA-N -1 3 420.231 3.623 20 0 HHADHM CC[C@@H](C)Oc1ccc(NC(=O)C(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000484526028 996857829 /nfs/dbraw/zinc/85/78/29/996857829.db2.gz FGSLSKPSQKKWHF-GFCCVEGCSA-N -1 3 421.291 3.587 20 0 HHADHM CCc1ccc(-c2csc(NC(=O)CSc3ncc(C(=O)OC)[n-]3)n2)cc1 ZINC000484556831 996889385 /nfs/dbraw/zinc/88/93/85/996889385.db2.gz LMGGEPIXRQYZDV-UHFFFAOYSA-N -1 3 402.501 3.613 20 0 HHADHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2cc(Br)ccc2F)c1 ZINC000484595005 996928296 /nfs/dbraw/zinc/92/82/96/996928296.db2.gz YLJCZQNKSHKCOG-UHFFFAOYSA-N -1 3 420.231 3.705 20 0 HHADHM C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000476538310 997029616 /nfs/dbraw/zinc/02/96/16/997029616.db2.gz DGOQEENECUGZPW-FRRDWIJNSA-N -1 3 407.363 3.555 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N[C@H](C)[C@H](C)c3ccccc3)c2)n1 ZINC000476615075 997130241 /nfs/dbraw/zinc/13/02/41/997130241.db2.gz YJXHRKACCQVEFO-JKSUJKDBSA-N -1 3 418.497 3.659 20 0 HHADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@H](C)c2cccc(C(F)(F)F)c2)s1 ZINC000484784696 997133213 /nfs/dbraw/zinc/13/32/13/997133213.db2.gz DGMNKDDEGYUGNC-SECBINFHSA-N -1 3 423.434 3.602 20 0 HHADHM COc1ccccc1-n1cc(S(=O)(=O)[N-]C[C@H]2CCCC[C@H]2C(F)(F)F)cn1 ZINC000484790096 997140624 /nfs/dbraw/zinc/14/06/24/997140624.db2.gz UQSGCTJOBWYNMN-UKRRQHHQSA-N -1 3 417.453 3.528 20 0 HHADHM C[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC000484953766 997331418 /nfs/dbraw/zinc/33/14/18/997331418.db2.gz CDAXYOHKLZUBKT-GTNSWQLSSA-N -1 3 402.372 3.812 20 0 HHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)c1 ZINC000476847068 997413960 /nfs/dbraw/zinc/41/39/60/997413960.db2.gz CVQXTLJXLGOKIH-AWEZNQCLSA-N -1 3 408.285 3.666 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2nc(-c3cccc(Cl)c3)cs2)c(C)o1 ZINC000476936155 997551160 /nfs/dbraw/zinc/55/11/60/997551160.db2.gz FXMYTKMCUJXARA-UHFFFAOYSA-N -1 3 411.892 3.525 20 0 HHADHM O=C(c1sc(-c2ccco2)nc1-c1ccccc1)N1CCc2nc[n-]c(=O)c2C1 ZINC000476980246 997600418 /nfs/dbraw/zinc/60/04/18/997600418.db2.gz GEDOXYWVTNRDRP-UHFFFAOYSA-N -1 3 404.451 3.764 20 0 HHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N(C)Cc3ncc(CC)s3)nc(=O)c2c1C ZINC000477012394 997645822 /nfs/dbraw/zinc/64/58/22/997645822.db2.gz PCTAFEQDDHSNCJ-NSHDSACASA-N -1 3 420.560 3.682 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1NC(=O)c1ccccn1 ZINC000485255548 997646048 /nfs/dbraw/zinc/64/60/48/997646048.db2.gz JFPGHEFMCXTLKB-UHFFFAOYSA-N -1 3 411.483 3.760 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1NC(=O)c1ccccn1 ZINC000485259007 997651567 /nfs/dbraw/zinc/65/15/67/997651567.db2.gz QVFDTZFLHYFNRK-UHFFFAOYSA-N -1 3 411.483 3.760 20 0 HHADHM CCc1c(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)cnn1-c1ccccc1Cl ZINC000485320893 997731465 /nfs/dbraw/zinc/73/14/65/997731465.db2.gz PJVSTQWLAOQWAU-UHFFFAOYSA-N -1 3 413.791 3.547 20 0 HHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)c1ccn(C2CCCC2)n1 ZINC000477111128 997764081 /nfs/dbraw/zinc/76/40/81/997764081.db2.gz NFMAUHDTCNCCDH-UHFFFAOYSA-N -1 3 416.425 3.641 20 0 HHADHM Cc1c(CN2CCSCC2)cccc1NC(=O)c1[n-]cnc1C(=O)c1ccccc1 ZINC000485365329 997791200 /nfs/dbraw/zinc/79/12/00/997791200.db2.gz BMHNGZANJCYPIQ-UHFFFAOYSA-N -1 3 420.538 3.750 20 0 HHADHM Cc1c(CN2CCSCC2)cccc1NC(=O)c1nc[n-]c1C(=O)c1ccccc1 ZINC000485365329 997791216 /nfs/dbraw/zinc/79/12/16/997791216.db2.gz BMHNGZANJCYPIQ-UHFFFAOYSA-N -1 3 420.538 3.750 20 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420.506 3.658 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@H]3CCCOCC3)ccc2C)cc1 ZINC000486345693 998721788 /nfs/dbraw/zinc/72/17/88/998721788.db2.gz RELLETZDZDATOQ-INIZCTEOSA-N -1 3 418.515 3.560 20 0 HHADHM Cc1ccc(NC(=O)[C@@H]2CCC(C)(C)O2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000486363154 998729498 /nfs/dbraw/zinc/72/94/98/998729498.db2.gz FSJVAORBOSVWIG-KRWDZBQOSA-N -1 3 406.479 3.831 20 0 HHADHM Cc1cc2sc(NC(=O)CCc3c(C)nc(-c4ccncc4)[n-]c3=O)nc2cc1F ZINC000478069355 998746762 /nfs/dbraw/zinc/74/67/62/998746762.db2.gz TWROSHHSHHFDDF-UHFFFAOYSA-N -1 3 423.473 3.769 20 0 HHADHM CCN(Cc1ccc(OC)cc1OC)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000486427806 998762516 /nfs/dbraw/zinc/76/25/16/998762516.db2.gz JKDIUTSRTVAZAB-UHFFFAOYSA-N -1 3 423.307 3.904 20 0 HHADHM O=S(=O)(Cc1ccc(F)cc1)[N-]c1cnn(-c2ncc(Cl)cc2Cl)c1 ZINC000486542692 998816315 /nfs/dbraw/zinc/81/63/15/998816315.db2.gz FHCPOQFVKLMFIZ-UHFFFAOYSA-N -1 3 401.250 3.655 20 0 HHADHM C[C@@H]1CN(C(=O)NCc2ccc([O-])c(Br)c2)C[C@H](c2ccc(F)cc2)O1 ZINC000486640318 998870984 /nfs/dbraw/zinc/87/09/84/998870984.db2.gz NHQOJTILLJDODE-KZULUSFZSA-N -1 3 423.282 3.965 20 0 HHADHM COc1ccccc1S(=O)(=O)[N-][C@@H](c1ccccc1OC(F)F)C(F)(F)F ZINC000486651328 998876500 /nfs/dbraw/zinc/87/65/00/998876500.db2.gz AKZYOQXLDGDREP-AWEZNQCLSA-N -1 3 411.348 3.879 20 0 HHADHM O=S(=O)([N-]Cc1nc(-c2cccc(F)c2)no1)c1cccc(Cl)c1Cl ZINC000486825399 998958206 /nfs/dbraw/zinc/95/82/06/998958206.db2.gz NUDGHPWMCUBTFA-UHFFFAOYSA-N -1 3 402.234 3.661 20 0 HHADHM Cc1ccc(NC(=O)c2ccnn2C(C)C)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000486853562 998974506 /nfs/dbraw/zinc/97/45/06/998974506.db2.gz HKVVPBYZBLRYJY-UHFFFAOYSA-N -1 3 416.478 3.965 20 0 HHADHM COc1cc(C(=O)N[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)cc(OC)c1[O-] ZINC000478474266 998980854 /nfs/dbraw/zinc/98/08/54/998980854.db2.gz LWCMOUBRFIQCBU-ZDUSSCGKSA-N -1 3 419.783 3.545 20 0 HHADHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCC(C)(C)O)c2)cc1 ZINC000478531047 999012387 /nfs/dbraw/zinc/01/23/87/999012387.db2.gz SIOKKFSAXAKVTC-UHFFFAOYSA-N -1 3 418.559 3.639 20 0 HHADHM CCCN(CCN(C)C)C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000478534445 999014260 /nfs/dbraw/zinc/01/42/60/999014260.db2.gz JPTRUZATBMORFE-UHFFFAOYSA-N -1 3 423.966 3.555 20 0 HHADHM COCCC1(C[N-]S(=O)(=O)c2cc(F)ccc2Br)CCCCC1 ZINC000478785341 999139455 /nfs/dbraw/zinc/13/94/55/999139455.db2.gz WNNYPHBHWJIGNV-UHFFFAOYSA-N -1 3 408.333 3.854 20 0 HHADHM COc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C(=O)N(C)C)ccc2Cl)c1 ZINC000487349604 999143385 /nfs/dbraw/zinc/14/33/85/999143385.db2.gz BPZUCHPWIDTASN-UHFFFAOYSA-N -1 3 403.287 3.505 20 0 HHADHM O=S(=O)([N-]CCc1nc2ccccc2n1C(F)F)c1cccc(Cl)c1F ZINC000487459028 999184489 /nfs/dbraw/zinc/18/44/89/999184489.db2.gz FTUKPCXDANXYFW-UHFFFAOYSA-N -1 3 403.813 3.745 20 0 HHADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2nnc([C@@H](C)N(C)C)n2-c2ccc(F)cc2)n1 ZINC000487467886 999188080 /nfs/dbraw/zinc/18/80/80/999188080.db2.gz GGGLFVKKYYWJTR-CHWSQXEVSA-N -1 3 402.499 3.686 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)N(C)Cc3ccc([S@@](C)=O)cc3)cc2)cc(=O)[n-]1 ZINC000487747716 999276027 /nfs/dbraw/zinc/27/60/27/999276027.db2.gz HKWPRZVCBLSQOQ-GDLZYMKVSA-N -1 3 410.499 3.559 20 0 HHADHM Cc1ccc(NC(=O)[C@@H]2CCC(=O)[C@H](C)C2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000479077310 999283323 /nfs/dbraw/zinc/28/33/23/999283323.db2.gz IVCKRWQBLPKCMJ-HUUCEWRRSA-N -1 3 418.490 3.879 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCC[C@@H]1c1cccc(Cl)c1 ZINC000487800851 999293842 /nfs/dbraw/zinc/29/38/42/999293842.db2.gz DXXANNGQDHHIBB-LJQANCHMSA-N -1 3 408.889 3.700 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc([C@@H](C)N3CCOCC3)cc2)cc1C ZINC000479239969 999340381 /nfs/dbraw/zinc/34/03/81/999340381.db2.gz GKXJCPLDZVLWEZ-QGZVFWFLSA-N -1 3 404.532 3.506 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000479359915 999402953 /nfs/dbraw/zinc/40/29/53/999402953.db2.gz CZSLRDQADYRKHQ-WFASDCNBSA-N -1 3 411.545 3.560 20 0 HHADHM CC(C)CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C)C(=O)N3)cc1 ZINC000479576036 999486406 /nfs/dbraw/zinc/48/64/06/999486406.db2.gz HLFSNKADMWWAQE-UHFFFAOYSA-N -1 3 403.504 3.890 20 0 HHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2cnn(C)c2C2CC2)cc1 ZINC000488600940 999542333 /nfs/dbraw/zinc/54/23/33/999542333.db2.gz XDDWRKLZAAIYGZ-UHFFFAOYSA-N -1 3 424.526 3.967 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000488652101 999559233 /nfs/dbraw/zinc/55/92/33/999559233.db2.gz BXTXCMGEZDQGRD-MRXNPFEDSA-N -1 3 406.276 3.643 20 0 HHADHM Cc1cccc(C(=O)N[C@H](C(=O)NCc2ccc([O-])c(Br)c2)C(C)C)c1 ZINC000488663875 999563537 /nfs/dbraw/zinc/56/35/37/999563537.db2.gz YTXIXWLPQBAOQB-SFHVURJKSA-N -1 3 419.319 3.534 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)c1cnn2c1nccc2-c1ccccc1 ZINC000488679989 999569626 /nfs/dbraw/zinc/56/96/26/999569626.db2.gz WWYIWTUEZSJZGC-UHFFFAOYSA-N -1 3 423.270 3.794 20 0 HHADHM CC(=O)Nc1ccc(S[C@@H](C)C(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000488681322 999570184 /nfs/dbraw/zinc/57/01/84/999570184.db2.gz UKMUBUVTFPWEHT-NSHDSACASA-N -1 3 423.332 3.910 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccc(N2CCCCCC2)nc1 ZINC000488683166 999570786 /nfs/dbraw/zinc/57/07/86/999570786.db2.gz HOQXPSBSKCREMF-UHFFFAOYSA-N -1 3 404.308 3.860 20 0 HHADHM CC[C@H](Cc1ccccc1Br)N(C)C(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000479776282 999585921 /nfs/dbraw/zinc/58/59/21/999585921.db2.gz YWXWOUSEFKLAGE-OAHLLOKOSA-N -1 3 406.324 3.584 20 0 HHADHM COc1cc(C(=O)N2[C@H](C(=O)OC(C)(C)C)C[C@H]3CCCC[C@@H]32)cc(OC)c1[O-] ZINC000479777587 999586599 /nfs/dbraw/zinc/58/65/99/999586599.db2.gz JCBSVOJXIFWBCU-KBMXLJTQSA-N -1 3 405.491 3.524 20 0 HHADHM COc1ccc(OCCC[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1 ZINC000488936408 999651924 /nfs/dbraw/zinc/65/19/24/999651924.db2.gz DIOBBJORQRUMNG-UHFFFAOYSA-N -1 3 407.385 3.601 20 0 HHADHM O=S(=O)([N-]C[C@@H]1CCOc2ccccc21)c1cccc(OC(F)(F)F)c1F ZINC000489297902 999739853 /nfs/dbraw/zinc/73/98/53/999739853.db2.gz WZFCAHLTOILOGJ-NSHDSACASA-N -1 3 405.369 3.569 20 0 HHADHM CC(C)CC[C@@H]1CCCN1C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000489301064 999740710 /nfs/dbraw/zinc/74/07/10/999740710.db2.gz QWJFUYCESFEYFT-HNNXBMFYSA-N -1 3 407.511 3.995 20 0 HHADHM COc1cc(C)ccc1Oc1ccc(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)cn1 ZINC000480246388 999755423 /nfs/dbraw/zinc/75/54/23/999755423.db2.gz KQTKZSBPIUXXPZ-UHFFFAOYSA-N -1 3 422.367 3.650 20 0 HHADHM Cc1nc(C)c(CCC(=O)NCc2cccc(COCc3ccccc3)c2)c(=O)[n-]1 ZINC000480283291 999762620 /nfs/dbraw/zinc/76/26/20/999762620.db2.gz GKYRUWOKNONHSV-UHFFFAOYSA-N -1 3 405.498 3.765 20 0 HHADHM Cc1ccc(Oc2ccc(NC(=O)NCc3nc(C(F)(F)F)n[n-]3)cn2)cc1C ZINC000480352867 999778179 /nfs/dbraw/zinc/77/81/79/999778179.db2.gz BGZRMCISTSCBRC-UHFFFAOYSA-N -1 3 406.368 3.949 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]CC1(C)CCC(OC)CC1 ZINC000480394504 999788313 /nfs/dbraw/zinc/78/83/13/999788313.db2.gz OJWMKAVWYWSBBH-UHFFFAOYSA-N -1 3 411.545 3.562 20 0 HHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N(Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000489575452 999795529 /nfs/dbraw/zinc/79/55/29/999795529.db2.gz YEHMAAOBWVLECZ-UHFFFAOYSA-N -1 3 412.449 3.829 20 0 HHADHM Cc1ccc(Cl)c([N-]S(=O)(=O)c2cc3[nH]c(=O)[nH]c3cc2Br)c1 ZINC000489578005 999795961 /nfs/dbraw/zinc/79/59/61/999795961.db2.gz AKLKMSMTCLBTGD-UHFFFAOYSA-N -1 3 416.684 3.794 20 0 HHADHM CN(C(=O)c1cc(=O)c2ccccc2[n-]1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000480426021 999796046 /nfs/dbraw/zinc/79/60/46/999796046.db2.gz LJCDJMHMDDMUJO-OALUTQOASA-N -1 3 403.265 3.565 20 0 HHADHM Cc1nc2ccc(S(=O)(=O)[N-][C@@H](c3c(C)nn(C)c3C)C(F)(F)F)cc2s1 ZINC000489587091 999798052 /nfs/dbraw/zinc/79/80/52/999798052.db2.gz PHGALSKVOKVQCG-HNNXBMFYSA-N -1 3 418.466 3.537 20 0 HHADHM CC[C@H](c1nnc(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)s1)c1ccccc1 ZINC000480556214 999825777 /nfs/dbraw/zinc/82/57/77/999825777.db2.gz PZNPZRNPZKFXFC-JTQLQIEISA-N -1 3 411.413 3.539 20 0 HHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCN(c3ccccc3F)C2=O)c1Cl ZINC000489738456 999828503 /nfs/dbraw/zinc/82/85/03/999828503.db2.gz JOPKGSHOLLPGGX-CYBMUJFWSA-N -1 3 417.289 3.525 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1ccc(OCc2ccccc2F)cc1 ZINC000480632236 999845997 /nfs/dbraw/zinc/84/59/97/999845997.db2.gz RWIOWVKBIHNNLJ-UHFFFAOYSA-N -1 3 409.343 3.863 20 0 HHADHM O=S(=O)(Cc1ccc(Cl)c(F)c1)[N-]Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000480665868 999854666 /nfs/dbraw/zinc/85/46/66/999854666.db2.gz ORTVXCRLKDZMCN-UHFFFAOYSA-N -1 3 416.261 3.802 20 0 HHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(C3CC3)cc2F)cc1Cl ZINC000490002500 999875844 /nfs/dbraw/zinc/87/58/44/999875844.db2.gz MDBMHBBOACFTHE-UHFFFAOYSA-N -1 3 414.861 3.933 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C1(Cc2ccc(Cl)cc2)CCC1 ZINC000490080259 999889949 /nfs/dbraw/zinc/88/99/49/999889949.db2.gz NPHJYYNEJOFMNN-UHFFFAOYSA-N -1 3 411.882 3.709 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000490219581 999913427 /nfs/dbraw/zinc/91/34/27/999913427.db2.gz ZHHBGKJPVJQUOU-LLVKDONJSA-N -1 3 405.833 3.553 20 0 HHADHM CCOc1ccccc1NC(=O)CCS(=O)(=O)c1nc(-c2ccccc2)c(C)[n-]1 ZINC000490417182 999954198 /nfs/dbraw/zinc/95/41/98/999954198.db2.gz NPBZWJLRFVQOIA-UHFFFAOYSA-N -1 3 413.499 3.586 20 0 HHADHM CCOc1ccccc1NC(=O)CCS(=O)(=O)c1nc(C)c(-c2ccccc2)[n-]1 ZINC000490417182 999954201 /nfs/dbraw/zinc/95/42/01/999954201.db2.gz NPBZWJLRFVQOIA-UHFFFAOYSA-N -1 3 413.499 3.586 20 0 HHADHM Cc1nc(S(=O)(=O)[C@@H](C)C(=O)Nc2ccc(Cl)cc2)[n-]c1-c1ccccc1 ZINC000490434153 999957237 /nfs/dbraw/zinc/95/72/37/999957237.db2.gz FZOUBSRAFPXQMY-ZDUSSCGKSA-N -1 3 403.891 3.839 20 0 HHADHM Cc1[n-]c(S(=O)(=O)CCC(=O)Nc2ccc(Cl)cc2F)nc1-c1ccccc1 ZINC000490463314 999961480 /nfs/dbraw/zinc/96/14/80/999961480.db2.gz IERKKXKTGPFGDU-UHFFFAOYSA-N -1 3 421.881 3.980 20 0 HHADHM Cc1nc(S(=O)(=O)CCC(=O)Nc2ccc(Cl)cc2F)[n-]c1-c1ccccc1 ZINC000490463314 999961482 /nfs/dbraw/zinc/96/14/82/999961482.db2.gz IERKKXKTGPFGDU-UHFFFAOYSA-N -1 3 421.881 3.980 20 0 HHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1F)[C@@H]1OCCc2sccc21 ZINC000490525924 999972315 /nfs/dbraw/zinc/97/23/15/999972315.db2.gz FFVPYIKELUAGIK-PSLIRLAXSA-N -1 3 420.325 3.631 20 0 HHADHM O=C(Nc1n[n-]c(SCCO)n1)[C@H](Sc1ccc(F)cc1)c1ccccc1 ZINC000490581277 999979976 /nfs/dbraw/zinc/97/99/76/999979976.db2.gz APPVOBFBXWITAO-OAHLLOKOSA-N -1 3 404.492 3.500 20 0 HHADHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2cccc(Br)c2Cl)o1 ZINC000490623362 999985794 /nfs/dbraw/zinc/98/57/94/999985794.db2.gz XXXVNXGXGXYCKG-UHFFFAOYSA-N -1 3 407.717 3.830 20 0 HHADHM CCOC(=O)c1nc(C2CCN(C(=O)Nc3ccc(CC)c(Cl)c3)CC2)n[n-]1 ZINC000490753511 1000001076 /nfs/dbraw/zinc/00/10/76/1000001076.db2.gz BRLFHUDBTXMSMM-UHFFFAOYSA-N -1 3 405.886 3.609 20 0 HHADHM CCOC(=O)c1nnc(C2CCN(C(=O)Nc3ccc(CC)c(Cl)c3)CC2)[n-]1 ZINC000490753511 1000001078 /nfs/dbraw/zinc/00/10/78/1000001078.db2.gz BRLFHUDBTXMSMM-UHFFFAOYSA-N -1 3 405.886 3.609 20 0 HHADHM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000491601640 1000088580 /nfs/dbraw/zinc/08/85/80/1000088580.db2.gz NJLCWHSQOBSQAI-HNNXBMFYSA-N -1 3 415.964 3.901 20 0 HHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cc2ccccc2n1CC(F)(F)F ZINC000491942184 1000101777 /nfs/dbraw/zinc/10/17/77/1000101777.db2.gz ZPOCQPHQBIXLPJ-UHFFFAOYSA-N -1 3 411.405 3.827 20 0 HHADHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1cc(-c2ccco2)[nH]n1 ZINC000492854636 1000146958 /nfs/dbraw/zinc/14/69/58/1000146958.db2.gz VFOWHPRFQCPVAJ-UHFFFAOYSA-N -1 3 408.439 3.723 20 0 HHADHM CN(C)c1cccc(S(=O)(=O)[N-]c2ccc(OCc3cn4ccccc4n3)cc2)c1 ZINC000493163922 1000160741 /nfs/dbraw/zinc/16/07/41/1000160741.db2.gz YSIFPEBXFKFSLS-UHFFFAOYSA-N -1 3 422.510 3.780 20 0 HHADHM O=C(Nc1cccc(CN2CCCCC2=O)c1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000493276902 1000166707 /nfs/dbraw/zinc/16/67/07/1000166707.db2.gz NGXQSGBOWIVIDA-UHFFFAOYSA-N -1 3 411.408 3.571 20 0 HHADHM C[C@@H](CCc1cccn1C)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493792405 1000193269 /nfs/dbraw/zinc/19/32/69/1000193269.db2.gz IPPZFUHIEOZDIF-NSHDSACASA-N -1 3 405.745 3.741 20 0 HHADHM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1)C(F)(F)F ZINC000493923240 1000216105 /nfs/dbraw/zinc/21/61/05/1000216105.db2.gz ADWWSRZLIONZRM-WCQYABFASA-N -1 3 415.861 3.765 20 0 HHADHM C[C@@H](CC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493952794 1000234559 /nfs/dbraw/zinc/23/45/59/1000234559.db2.gz NWVNXKCKVDYLPC-VIFPVBQESA-N -1 3 412.733 3.501 20 0 HHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N(Cc1ccco1)CC(F)(F)F ZINC000504540034 1000258220 /nfs/dbraw/zinc/25/82/20/1000258220.db2.gz GHYAIERKLRJOGB-UHFFFAOYSA-N -1 3 420.391 3.669 20 0 HHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3c[nH]c4ccc(Br)cc34)nc21 ZINC000494103400 1000309876 /nfs/dbraw/zinc/30/98/76/1000309876.db2.gz PCSODCVMGIPRGQ-UHFFFAOYSA-N -1 3 413.231 3.846 20 0 HHADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H](C)c3ccc(Br)s3)nc21 ZINC000494121853 1000317658 /nfs/dbraw/zinc/31/76/58/1000317658.db2.gz PMNRFEJYKLWZLK-QMMMGPOBSA-N -1 3 408.277 3.916 20 0 HHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cccc(-c4noc(C5CC5)n4)c3)nc21 ZINC000494122128 1000318128 /nfs/dbraw/zinc/31/81/28/1000318128.db2.gz ZXKIZDMHPZTCBL-UHFFFAOYSA-N -1 3 403.398 3.529 20 0 HHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3c(F)cc(Br)cc3F)nc21 ZINC000494127020 1000319946 /nfs/dbraw/zinc/31/99/46/1000319946.db2.gz GTADFLOYHNMVKR-UHFFFAOYSA-N -1 3 410.174 3.643 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)N[C@@H](C)c3ccc4c(c3)CCC(=O)N4)cc2)cc(=O)[n-]1 ZINC000504754642 1000356166 /nfs/dbraw/zinc/35/61/66/1000356166.db2.gz LFSYFADRCNTTKU-ZDUSSCGKSA-N -1 3 417.469 3.925 20 0 HHADHM O=C(N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000504754988 1000356363 /nfs/dbraw/zinc/35/63/63/1000356363.db2.gz GAJIVAMTVWXFEG-RDTXWAMCSA-N -1 3 402.372 3.596 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CC[C@H](C)C3)c2)cc1 ZINC000504952984 1000468487 /nfs/dbraw/zinc/46/84/87/1000468487.db2.gz FEOSKLMPXPFRFA-HNNXBMFYSA-N -1 3 402.516 3.677 20 0 HHADHM Cc1ccc(-c2noc(CC[N-]S(=O)(=O)c3c(Cl)cccc3Cl)n2)cc1 ZINC000504981095 1000486086 /nfs/dbraw/zinc/48/60/86/1000486086.db2.gz OMUUICOFGVSYJL-UHFFFAOYSA-N -1 3 412.298 3.873 20 0 HHADHM CCN(CC(F)(F)F)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000494443935 1000494820 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VUSAARZMTUVNSO-LJQANCHMSA-N -1 3 402.516 3.675 20 0 HHADHM COC(=O)c1nccc2c1cccc2S(=O)(=O)[N-][C@H](c1ccccc1)C(F)(F)F ZINC000535753914 1007774003 /nfs/dbraw/zinc/77/40/03/1007774003.db2.gz ZCXMLDFKBJFPDL-QGZVFWFLSA-N -1 3 424.400 3.603 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]c2ccc(Oc3cccc(C(N)=O)c3)cc2)ccc1F ZINC000517569295 1007776282 /nfs/dbraw/zinc/77/62/82/1007776282.db2.gz RCLSHBLDDQAHKP-UHFFFAOYSA-N -1 3 400.431 3.826 20 0 HHADHM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(C3(C(=O)OC)CC3)cc2)cc1 ZINC000539549926 1007862292 /nfs/dbraw/zinc/86/22/92/1007862292.db2.gz ZXPRFOKWMYINJP-OAHLLOKOSA-N -1 3 403.500 3.869 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000533547597 1007867050 /nfs/dbraw/zinc/86/70/50/1007867050.db2.gz FVYKVQZAJXSIMU-BXUZGUMPSA-N -1 3 405.497 3.883 20 0 HHADHM CN(C(=O)CNC(=O)c1ccc([O-])cc1)[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000539579028 1007894307 /nfs/dbraw/zinc/89/43/07/1007894307.db2.gz XDXCMQPRJRCJEB-RTBURBONSA-N -1 3 420.431 3.936 20 0 HHADHM C[C@H](NC(=O)CN1[C@H](C)CC[C@H]1C)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000533610002 1007910212 /nfs/dbraw/zinc/91/02/12/1007910212.db2.gz UIEONJBCCFJXEO-OAGGEKHMSA-N -1 3 421.588 3.599 20 0 HHADHM COc1ccc(NC(=O)c2c(C)oc3[n-]c(=O)n(-c4ccccc4)c(=O)c32)c(C)c1 ZINC000517718110 1007929140 /nfs/dbraw/zinc/92/91/40/1007929140.db2.gz XPCVMUOHKADVMM-UHFFFAOYSA-N -1 3 405.410 3.562 20 0 HHADHM CCC(CC)[C@@H]([N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)c1cccs1 ZINC000517723041 1007930974 /nfs/dbraw/zinc/93/09/74/1007930974.db2.gz BKWQUVWXRYMMPG-QGZVFWFLSA-N -1 3 401.575 3.607 20 0 HHADHM COC(=O)c1cccc2[n-]c(NC(=O)C3(c4ccc(OC)c(OC)c4)CCCC3)nc21 ZINC000539664668 1007983114 /nfs/dbraw/zinc/98/31/14/1007983114.db2.gz MRSOSAPACXQNPO-UHFFFAOYSA-N -1 3 423.469 3.817 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)NCc3ccc(C(C)C)cc3)c2)n1 ZINC000517828704 1007999223 /nfs/dbraw/zinc/99/92/23/1007999223.db2.gz NSEXVHAUFMJVJN-UHFFFAOYSA-N -1 3 418.497 3.790 20 0 HHADHM CCC(CC)n1ncc(C(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)c1C ZINC000535999680 1008044403 /nfs/dbraw/zinc/04/44/03/1008044403.db2.gz YCNWXKKXQSGVAB-UHFFFAOYSA-N -1 3 408.524 3.575 20 0 HHADHM CC[C@@](C)([N-]S(=O)(=O)c1cc(F)c(Br)cc1F)c1nccs1 ZINC000536001316 1008046325 /nfs/dbraw/zinc/04/63/25/1008046325.db2.gz BUWLJVKPXIHPIM-CYBMUJFWSA-N -1 3 411.293 3.788 20 0 HHADHM COc1ccc(C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)cc1OC1CCCC1 ZINC000517961148 1008073157 /nfs/dbraw/zinc/07/31/57/1008073157.db2.gz NDIUOUAVBRCTJE-UHFFFAOYSA-N -1 3 415.433 3.912 20 0 HHADHM CC[C@H](C)c1ccc(NC(=O)C[S@](=O)Cc2nc(C(F)(F)F)cc(=O)[n-]2)cc1 ZINC000533789381 1008112628 /nfs/dbraw/zinc/11/26/28/1008112628.db2.gz VIYWIVFIOFEVJU-NQNZVUTLSA-N -1 3 415.437 3.602 20 0 HHADHM COc1cccc(COc2cccc(NC(=O)c3ccc4c(c3)C(=O)[N-]C4=O)c2C)c1 ZINC000533822108 1008134014 /nfs/dbraw/zinc/13/40/14/1008134014.db2.gz NSYZKPBUDKPZFP-UHFFFAOYSA-N -1 3 416.433 3.719 20 0 HHADHM CCS(=O)(=O)c1ccc(CCC(=O)Nc2ccc([O-])c(C(F)(F)F)c2)cc1 ZINC000533856034 1008160521 /nfs/dbraw/zinc/16/05/21/1008160521.db2.gz WLOJUECFCRCZDZ-UHFFFAOYSA-N -1 3 401.406 3.776 20 0 HHADHM CC(=O)N1CCCc2ccc(S(=O)(=O)[N-]c3ccc4nc(C(F)F)[nH]c4c3)cc21 ZINC000533938594 1008219625 /nfs/dbraw/zinc/21/96/25/1008219625.db2.gz KJJDPIYLHHYSKA-UHFFFAOYSA-N -1 3 420.441 3.600 20 0 HHADHM O=C(Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1)Nc1ccc(Cl)cc1[O-] ZINC000533973620 1008242741 /nfs/dbraw/zinc/24/27/41/1008242741.db2.gz NNBNBCBBPYZPRR-UHFFFAOYSA-N -1 3 407.797 3.563 20 0 HHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC[C@H]3CCO[C@H](C)C3)c2)cc1 ZINC000540025374 1008243617 /nfs/dbraw/zinc/24/36/17/1008243617.db2.gz YRLASIJCVHTYIV-MSOLQXFVSA-N -1 3 416.543 3.649 20 0 HHADHM CCOC(=O)c1ccc(NC(=O)c2cc(OC)c(Br)s2)c([O-])c1 ZINC000540026465 1008244117 /nfs/dbraw/zinc/24/41/17/1008244117.db2.gz DSJIWNMURYNKTF-UHFFFAOYSA-N -1 3 400.250 3.654 20 0 HHADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1CCCN1C(=O)c1ccccc1OC(F)F ZINC000533983589 1008247484 /nfs/dbraw/zinc/24/74/84/1008247484.db2.gz RWPNXJKFSPLPAZ-CQSZACIVSA-N -1 3 410.804 3.890 20 0 HHADHM COCc1cnc(CNCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)s1 ZINC000540067138 1008269188 /nfs/dbraw/zinc/26/91/88/1008269188.db2.gz VBXQMGMHVPTMSW-UHFFFAOYSA-N -1 3 421.519 3.519 20 0 HHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cc(OCC(F)(F)F)c2ccccc2n1 ZINC000540116607 1008296566 /nfs/dbraw/zinc/29/65/66/1008296566.db2.gz OPCJGHXAVWIGEC-UHFFFAOYSA-N -1 3 405.258 3.565 20 0 HHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cc(OCC(F)(F)F)c2ccccc2n1 ZINC000540116607 1008296569 /nfs/dbraw/zinc/29/65/69/1008296569.db2.gz OPCJGHXAVWIGEC-UHFFFAOYSA-N -1 3 405.258 3.565 20 0 HHADHM CCC[C@H]([N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)OC)c1ccc(F)cc1F ZINC000518441358 1008307375 /nfs/dbraw/zinc/30/73/75/1008307375.db2.gz IGLWOGLDASDUNP-HNNXBMFYSA-N -1 3 401.431 3.781 20 0 HHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H](c1ccccc1)C(F)(F)F ZINC000518464207 1008318296 /nfs/dbraw/zinc/31/82/96/1008318296.db2.gz WLRSTJPXKTZEEF-KRWDZBQOSA-N -1 3 402.376 3.515 20 0 HHADHM CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1ccc(C)o1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000540205744 1008335213 /nfs/dbraw/zinc/33/52/13/1008335213.db2.gz KERRDSIASHAHSJ-QRWLVFNGSA-N -1 3 419.547 3.520 20 0 HHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2nccn2CC(F)(F)F)c1Cl ZINC000540271460 1008362856 /nfs/dbraw/zinc/36/28/56/1008362856.db2.gz IGQAXRYFQGKTAH-UHFFFAOYSA-N -1 3 402.225 3.539 20 0 HHADHM CC(=O)Nc1cc(C)c(S(=O)(=O)[N-]c2cc(F)ccc2F)cc1Br ZINC000540337653 1008387002 /nfs/dbraw/zinc/38/70/02/1008387002.db2.gz JZKHXDZFNCLIBB-UHFFFAOYSA-N -1 3 419.247 3.795 20 0 HHADHM O=C([N-]c1ncc(F)cc1I)c1ncsc1C(F)(F)F ZINC000549005373 1008578609 /nfs/dbraw/zinc/57/86/09/1008578609.db2.gz CZVKRAKYZOQPIU-UHFFFAOYSA-N -1 3 417.125 3.553 20 0 HHADHM CCN(C(=O)c1nn(-c2ccc(F)cc2C)cc1[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000545502996 1008605243 /nfs/dbraw/zinc/60/52/43/1008605243.db2.gz LOWFDPIAGFYCHJ-FQEVSTJZSA-N -1 3 422.504 3.762 20 0 HHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@H]3C[C@@H]3Cc3ccccc3)cs2)c1 ZINC000545520250 1008621478 /nfs/dbraw/zinc/62/14/78/1008621478.db2.gz BOIBJYRVPNMHGG-LPHOPBHVSA-N -1 3 421.522 3.699 20 0 HHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N[C@@H](C)c3ccncc3CC)nc(=O)c2c1C ZINC000543052471 1008632736 /nfs/dbraw/zinc/63/27/36/1008632736.db2.gz NSFKCEIPPJKKKV-QWHCGFSZSA-N -1 3 414.531 3.839 20 0 HHADHM Cc1csc(C2([N-]S(=O)(=O)c3cccc(Br)c3F)CCC2)n1 ZINC000543069820 1008647443 /nfs/dbraw/zinc/64/74/43/1008647443.db2.gz SZNDVSBTDDJUOH-UHFFFAOYSA-N -1 3 405.314 3.711 20 0 HHADHM COc1cc(OC)cc(S(=O)(=O)[N-][C@H](c2cccc(F)c2F)C(F)(F)F)c1 ZINC000543170602 1008746084 /nfs/dbraw/zinc/74/60/84/1008746084.db2.gz SVPARWPCDOJUKX-OAHLLOKOSA-N -1 3 411.348 3.564 20 0 HHADHM O=C(c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000519438922 1008816503 /nfs/dbraw/zinc/81/65/03/1008816503.db2.gz NZZZFIYGNWTJKT-PJPHBNEVSA-N -1 3 417.506 3.605 20 0 HHADHM CC(C)[N-]S(=O)(=O)c1cc(-c2nc([C@@H](C)Oc3ccccc3)no2)ccc1F ZINC000545728424 1008818783 /nfs/dbraw/zinc/81/87/83/1008818783.db2.gz ZUJFBAIHDBRLLO-CYBMUJFWSA-N -1 3 405.451 3.702 20 0 HHADHM Cc1ncc(CNC(=O)C2(c3cccc(Br)c3)CCCCC2)c(=O)[n-]1 ZINC000543317977 1008898278 /nfs/dbraw/zinc/89/82/78/1008898278.db2.gz PHSFLSHXIPQVDG-UHFFFAOYSA-N -1 3 404.308 3.771 20 0 HHADHM Cc1ncc(CNC(=O)[C@@H](Sc2cc(F)ccc2F)c2ccccc2)c(=O)[n-]1 ZINC000543318437 1008899155 /nfs/dbraw/zinc/89/91/55/1008899155.db2.gz ZFJLSJGNBAXPIN-SFHVURJKSA-N -1 3 401.438 3.919 20 0 HHADHM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2ccccc2Cl)c(Cl)c1)C1CC1 ZINC000545829494 1008914324 /nfs/dbraw/zinc/91/43/24/1008914324.db2.gz NJYAJSDXVCUHDT-UHFFFAOYSA-N -1 3 421.327 3.698 20 0 HHADHM COc1cc(C(=O)N(CCc2ccccn2)Cc2ccc(F)cc2)cc(OC)c1[O-] ZINC000545877582 1008968591 /nfs/dbraw/zinc/96/85/91/1008968591.db2.gz PSFHLBWHDMKYOH-UHFFFAOYSA-N -1 3 410.445 3.829 20 0 HHADHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2)c1C ZINC000545928058 1009001698 /nfs/dbraw/zinc/00/16/98/1009001698.db2.gz STWIQGNFBVPESQ-UHFFFAOYSA-N -1 3 408.785 3.650 20 0 HHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCCOC(C)(C)C)c2)cc1 ZINC000519919084 1009077046 /nfs/dbraw/zinc/07/70/46/1009077046.db2.gz SZTQFNMMHSMXIB-UHFFFAOYSA-N -1 3 404.532 3.649 20 0 HHADHM O=C([N-]c1nnc(Cc2cccc(F)c2)s1)c1cn(-c2ccc(Cl)cc2)nn1 ZINC000519981845 1009128348 /nfs/dbraw/zinc/12/83/48/1009128348.db2.gz ICGUDUPOAGHHIU-UHFFFAOYSA-N -1 3 414.853 3.754 20 0 HHADHM Cc1c(Br)cccc1S(=O)(=O)[N-][C@H](c1nccs1)C(F)(F)F ZINC000549522742 1009132068 /nfs/dbraw/zinc/13/20/68/1009132068.db2.gz LUUBCGPNLJVPEG-SNVBAGLBSA-N -1 3 415.256 3.796 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]CC[C@@H](C)F)c(Br)c1 ZINC000549522774 1009132335 /nfs/dbraw/zinc/13/23/35/1009132335.db2.gz WEJQDLUUCYNFGS-MRVPVSSYSA-N -1 3 403.111 3.546 20 0 HHADHM CCCC[C@H](C)N(CCCC)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000549545095 1009163963 /nfs/dbraw/zinc/16/39/63/1009163963.db2.gz OSJHZZHLVQXOMR-AWEZNQCLSA-N -1 3 408.561 3.567 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NC1(Cc2ccccc2)CCCC1 ZINC000543599061 1009202859 /nfs/dbraw/zinc/20/28/59/1009202859.db2.gz LSTDKHHFXJEGNR-UHFFFAOYSA-N -1 3 416.525 3.745 20 0 HHADHM COc1ccc(CC[C@@H](C)[N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000520073629 1009234933 /nfs/dbraw/zinc/23/49/33/1009234933.db2.gz YUMCGYFSCWPTLC-LLVKDONJSA-N -1 3 404.351 3.819 20 0 HHADHM Cc1cc(-c2noc(-c3ccc([N-]S(C)(=O)=O)cc3)n2)ccc1Br ZINC000546235463 1009259494 /nfs/dbraw/zinc/25/94/94/1009259494.db2.gz MLIKHVKPJGZOSO-UHFFFAOYSA-N -1 3 408.277 3.846 20 0 HHADHM CCc1cccc(C(=O)N2CCC[C@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)c1[O-] ZINC000543711626 1009315848 /nfs/dbraw/zinc/31/58/48/1009315848.db2.gz DCSGATRVEGYGMA-SFHVURJKSA-N -1 3 418.497 3.950 20 0 HHADHM O=S(=O)([N-][C@@H](CCO)c1ccccc1Br)c1cccc(Cl)c1F ZINC000543776559 1009345031 /nfs/dbraw/zinc/34/50/31/1009345031.db2.gz YOZXBKKNOXQXBU-ZDUSSCGKSA-N -1 3 422.703 3.644 20 0 HHADHM CCc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)C[C@@H](C)COC3CCCC3)n2)cc1 ZINC000549778735 1009389486 /nfs/dbraw/zinc/38/94/86/1009389486.db2.gz QLJKRQKSEZQTEK-JKSUJKDBSA-N -1 3 421.563 3.875 20 0 HHADHM Cc1ccnc(OC2CCN(C(=O)NCc3ccc([O-])c(Br)c3)CC2)c1 ZINC000543936925 1009528689 /nfs/dbraw/zinc/52/86/89/1009528689.db2.gz TUYZVEOJNDUTBB-UHFFFAOYSA-N -1 3 420.307 3.611 20 0 HHADHM CC(C)n1ncc2cc(S(=O)(=O)[N-][C@@H](c3nccs3)C(F)(F)F)ccc21 ZINC000549915092 1009533050 /nfs/dbraw/zinc/53/30/50/1009533050.db2.gz OSBNXHNJWRRQGU-ZDUSSCGKSA-N -1 3 404.439 3.656 20 0 HHADHM O=S(=O)([N-][C@@H]1CCOc2ccc(F)cc21)c1cccc(Br)c1F ZINC000520453586 1009564820 /nfs/dbraw/zinc/56/48/20/1009564820.db2.gz GBQRRZRCLBFUHN-GFCCVEGCSA-N -1 3 404.232 3.529 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H](C)c2ccon2)c(Br)c1 ZINC000543975800 1009577663 /nfs/dbraw/zinc/57/76/63/1009577663.db2.gz LEASYXIMLNCSEV-MRVPVSSYSA-N -1 3 424.114 3.548 20 0 HHADHM Cn1ccc2c1cccc2C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000520525297 1009615348 /nfs/dbraw/zinc/61/53/48/1009615348.db2.gz SATWVYHXUQFETH-UHFFFAOYSA-N -1 3 411.405 3.821 20 0 HHADHM O=S(=O)([N-]CCc1cccc2cccnc21)c1cccc(Br)c1F ZINC000544033136 1009633098 /nfs/dbraw/zinc/63/30/98/1009633098.db2.gz FLZGSULYXGOYTQ-UHFFFAOYSA-N -1 3 409.280 3.657 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC[C@H]3CC=CCC3)c2)cc1 ZINC000520553222 1009637054 /nfs/dbraw/zinc/63/70/54/1009637054.db2.gz QSTZWISZAAJZKU-KRWDZBQOSA-N -1 3 414.527 3.891 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N[C@H]1CCOC(C)(C)C1 ZINC000546661780 1009661321 /nfs/dbraw/zinc/66/13/21/1009661321.db2.gz AYTOKBUGYHEUNB-HNNXBMFYSA-N -1 3 420.506 3.622 20 0 HHADHM Cc1cc(Br)cc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)CCC(=O)N2C ZINC000520626472 1009703291 /nfs/dbraw/zinc/70/32/91/1009703291.db2.gz QOKVCUQKXMUXRW-UHFFFAOYSA-N -1 3 423.332 3.776 20 0 HHADHM Cc1ncc(CNC(=O)N[C@@H](C)c2ccc(OCc3ccc(F)cc3)cc2)c(=O)[n-]1 ZINC000544122637 1009731831 /nfs/dbraw/zinc/73/18/31/1009731831.db2.gz ZMROLNYCYYMHMH-AWEZNQCLSA-N -1 3 410.449 3.769 20 0 HHADHM CSc1nc(NC(=O)CCc2nc(C)c(-c3ccc(Br)cc3)o2)n[n-]1 ZINC000520734452 1009803919 /nfs/dbraw/zinc/80/39/19/1009803919.db2.gz 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423.966 3.600 20 0 HHADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]C(C)(C)c1ccc(C)nc1 ZINC000545369817 1010756699 /nfs/dbraw/zinc/75/66/99/1010756699.db2.gz REMQTPOFJBKBPQ-UHFFFAOYSA-N -1 3 417.300 3.514 20 0 HHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)c2cc(-c3ccco3)n[nH]2)CC1 ZINC000548921480 1010761017 /nfs/dbraw/zinc/76/10/17/1010761017.db2.gz HXSLQMDAYMIFBE-UHFFFAOYSA-N -1 3 414.849 3.520 20 0 HHADHM COc1cc(Cl)ccc1CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000522150105 1010834854 /nfs/dbraw/zinc/83/48/54/1010834854.db2.gz VGZIUGNOXAAGIV-UHFFFAOYSA-N -1 3 421.678 3.883 20 0 HHADHM CCc1ccc([O-])c(C(=O)N2CCN([C@H](C)c3nc(-c4ccc(C)cc4)no3)CC2)c1 ZINC000522169578 1010844440 /nfs/dbraw/zinc/84/44/40/1010844440.db2.gz GTIKPQANHPNMND-QGZVFWFLSA-N -1 3 420.513 3.832 20 0 HHADHM Cn1ccnc1SCc1ccc(C(=O)[N-]c2n[nH]c(-c3ccc(Cl)cc3)n2)o1 ZINC000522240248 1010883504 /nfs/dbraw/zinc/88/35/04/1010883504.db2.gz RJIDAPAHUAXNAT-UHFFFAOYSA-N -1 3 414.878 3.996 20 0 HHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C3(c4ccccc4C)CCOCC3)cc2)n1 ZINC000522259723 1010892977 /nfs/dbraw/zinc/89/29/77/1010892977.db2.gz QIBSLXNJBRNSRN-UHFFFAOYSA-N -1 3 403.482 3.741 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)c3ccc(Cl)o3)c2)cc1 ZINC000522329087 1010933419 /nfs/dbraw/zinc/93/34/19/1010933419.db2.gz RAQOAXIYWVYCSQ-UHFFFAOYSA-N -1 3 420.874 3.672 20 0 HHADHM CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2cc(C)c(Br)cc2C)c1 ZINC000522651867 1011138450 /nfs/dbraw/zinc/13/84/50/1011138450.db2.gz OTJQRMJTEZQKBD-UHFFFAOYSA-N -1 3 415.284 3.964 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@H](C)c1cccc(Cl)c1Cl ZINC000522730170 1011182288 /nfs/dbraw/zinc/18/22/88/1011182288.db2.gz BHALRYQIOKBOKO-LLVKDONJSA-N -1 3 417.296 3.867 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCC(C)(C)c2ccccc2F)c1 ZINC000536106671 1011226241 /nfs/dbraw/zinc/22/62/41/1011226241.db2.gz NOWXLPSXEZEKRL-UHFFFAOYSA-N -1 3 411.433 3.788 20 0 HHADHM COc1cc2c(cc1F)[n-]cc(C(=O)Nc1ccc(OC3CCC3)c(F)c1)c2=O ZINC000540587566 1011242800 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HHADHM CCc1cccc(C(=O)N2CCOC[C@H]2c2c(C)nn(CC(F)(F)F)c2C)c1[O-] ZINC000540964455 1011604330 /nfs/dbraw/zinc/60/43/30/1011604330.db2.gz KTBBAKUJWOWXGE-INIZCTEOSA-N -1 3 411.424 3.544 20 0 HHADHM O=S(=O)([N-][C@H](CCO)c1ccccc1Br)c1ccc(Cl)cc1F ZINC000540990583 1011623631 /nfs/dbraw/zinc/62/36/31/1011623631.db2.gz OAHSCMHPZHWTHR-CQSZACIVSA-N -1 3 422.703 3.644 20 0 HHADHM O=C(Nc1cccc([O-])c1F)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000536464091 1011682480 /nfs/dbraw/zinc/68/24/80/1011682480.db2.gz WBTKUKNDOKUJLX-UHFFFAOYSA-N -1 3 421.266 3.785 20 0 HHADHM Cc1ccnc(OC2CCN(C(=O)Nc3ccc(-c4cc(=O)[n-]c(C)n4)cc3)CC2)c1 ZINC000541075801 1011716224 /nfs/dbraw/zinc/71/62/24/1011716224.db2.gz OZDWUFWNCAHQSG-UHFFFAOYSA-N -1 3 419.485 3.936 20 0 HHADHM O=S(=O)([N-][C@H](c1ccccc1)[C@@H]1CCCO1)c1cc(Br)ccc1F ZINC000523295816 1011776193 /nfs/dbraw/zinc/77/61/93/1011776193.db2.gz HWIKDGMZLJQHNP-DOTOQJQBSA-N -1 3 414.296 3.787 20 0 HHADHM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)ccc1OC1CCOCC1 ZINC000536657168 1011805470 /nfs/dbraw/zinc/80/54/70/1011805470.db2.gz NUICGAMSTHEMMO-UHFFFAOYSA-N -1 3 403.500 3.679 20 0 HHADHM CC(C)C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)Nc1nccs1 ZINC000536703658 1011875129 /nfs/dbraw/zinc/87/51/29/1011875129.db2.gz YWNMAFFBNKNJSZ-NSHDSACASA-N -1 3 422.359 3.782 20 0 HHADHM O=C(Nc1nncn1Cc1ccccc1)c1cc(OCc2ccccc2)ccc1[O-] ZINC000523414537 1011896521 /nfs/dbraw/zinc/89/65/21/1011896521.db2.gz FMQKCKVPJVKIIC-UHFFFAOYSA-N -1 3 400.438 3.863 20 0 HHADHM C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000523424410 1011911392 /nfs/dbraw/zinc/91/13/92/1011911392.db2.gz ZWEYZHRINMAGHX-HOTGVXAUSA-N -1 3 414.477 3.630 20 0 HHADHM O=C(NCc1ccc([O-])c(F)c1)C(=O)Nc1ccccc1COCc1ccccc1 ZINC000523459488 1011962492 /nfs/dbraw/zinc/96/24/92/1011962492.db2.gz GMOJLXGPRXRBJR-UHFFFAOYSA-N -1 3 408.429 3.503 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC[C@@H](C)C(C)C)ccc2C)cc1 ZINC000523517235 1012042366 /nfs/dbraw/zinc/04/23/66/1012042366.db2.gz TYCLAGGVUSCHJP-MRXNPFEDSA-N -1 3 404.532 3.826 20 0 HHADHM O=C(CCCCN1C(=O)c2ccccc2C1=O)Nc1ccc(Br)cc1[O-] ZINC000552005729 1012044569 /nfs/dbraw/zinc/04/45/69/1012044569.db2.gz GLCAZIXSMYTRHF-UHFFFAOYSA-N -1 3 417.259 3.560 20 0 HHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1ccc(OCc2ccncc2)cc1 ZINC000552170282 1012187722 /nfs/dbraw/zinc/18/77/22/1012187722.db2.gz DIANNFFTBUYRNM-UHFFFAOYSA-N -1 3 415.453 3.778 20 0 HHADHM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1)c1ccc(OC)cc1 ZINC000552210067 1012223098 /nfs/dbraw/zinc/22/30/98/1012223098.db2.gz KUNJKIKOLSKNNK-NRFANRHFSA-N -1 3 411.479 3.555 20 0 HHADHM O=C(NCc1ccc([O-])c(F)c1)c1cc(Br)cc(Br)c1 ZINC000536934732 1012225536 /nfs/dbraw/zinc/22/55/36/1012225536.db2.gz WLHKXWPLHREIMY-UHFFFAOYSA-N -1 3 403.045 3.986 20 0 HHADHM Cc1cn(C2CCCCC2)nc1NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000541496652 1012273740 /nfs/dbraw/zinc/27/37/40/1012273740.db2.gz QFTFUQUOTVHAQS-UHFFFAOYSA-N -1 3 420.517 3.722 20 0 HHADHM Cc1c(C(=O)N2CC(F)C2)sc2[n-]c(CSc3cc(C)ccc3C)nc(=O)c12 ZINC000541500165 1012279724 /nfs/dbraw/zinc/27/97/24/1012279724.db2.gz OZCGOVSFZBCUJN-UHFFFAOYSA-N -1 3 417.531 3.996 20 0 HHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1sc(-c2ccccc2)nc1-c1ccccc1 ZINC000523683954 1012284280 /nfs/dbraw/zinc/28/42/80/1012284280.db2.gz KSDBTLLREMPZHH-KRWDZBQOSA-N -1 3 404.495 3.719 20 0 HHADHM Cc1ncc(CNC(=O)NCc2csc(-c3ccc(C(F)(F)F)cc3)n2)c(=O)[n-]1 ZINC000541506687 1012285933 /nfs/dbraw/zinc/28/59/33/1012285933.db2.gz XOCWCBYOILVQTB-UHFFFAOYSA-N -1 3 423.420 3.632 20 0 HHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H](Oc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000523693529 1012297097 /nfs/dbraw/zinc/29/70/97/1012297097.db2.gz ATAFUXLSFVQWBY-CRAIPNDOSA-N -1 3 420.296 3.742 20 0 HHADHM COC(=O)[C@H]([N-]S(=O)(=O)c1cccc(C(C)C)c1)c1ccc(OC(F)F)cc1 ZINC000537018425 1012322544 /nfs/dbraw/zinc/32/25/44/1012322544.db2.gz YQLHIEKKMPJYRF-QGZVFWFLSA-N -1 3 413.442 3.604 20 0 HHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC[C@H]3CCOC[C@@H]3C)c2)cc1 ZINC000552327096 1012336101 /nfs/dbraw/zinc/33/61/01/1012336101.db2.gz MNMMCAOWPGJGDZ-ZWKOTPCHSA-N -1 3 416.543 3.507 20 0 HHADHM C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O)c1cccnc1 ZINC000523743576 1012365323 /nfs/dbraw/zinc/36/53/23/1012365323.db2.gz VNOGXTFKKJNPIZ-NSHDSACASA-N -1 3 401.410 3.604 20 0 HHADHM C[C@](O)(CSc1cccc(F)c1)C(=O)Nc1cc(Br)ccc1[O-] ZINC000552395182 1012406705 /nfs/dbraw/zinc/40/67/05/1012406705.db2.gz ZXVBSLIIUPUPSA-INIZCTEOSA-N -1 3 400.269 3.776 20 0 HHADHM C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)Nc3c([O-])cccc3Cl)c2)C1 ZINC000552433229 1012452259 /nfs/dbraw/zinc/45/22/59/1012452259.db2.gz DTBBNYPVPNWOAW-ZIAGYGMSSA-N -1 3 422.934 3.965 20 0 HHADHM CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3c([O-])cccc3Cl)cc2)CC1 ZINC000552434478 1012453937 /nfs/dbraw/zinc/45/39/37/1012453937.db2.gz MVEQTFTWLJOUFJ-UHFFFAOYSA-N -1 3 408.907 3.719 20 0 HHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N[C@H]1CCCOc2c(Cl)cccc21 ZINC000537240073 1012680035 /nfs/dbraw/zinc/68/00/35/1012680035.db2.gz WYPINSYFBVPUCW-HNNXBMFYSA-N 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ZINC000524132550 1012917169 /nfs/dbraw/zinc/91/71/69/1012917169.db2.gz IHYQXPLFLSRCBD-HXUWFJFHSA-N -1 3 405.502 3.801 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(=O)n(Cc3ccc(Cl)c(Cl)c3)c2)o1 ZINC000552963500 1012950068 /nfs/dbraw/zinc/95/00/68/1012950068.db2.gz KKVCBTWDYQAVKR-UHFFFAOYSA-N -1 3 413.282 3.906 20 0 HHADHM CSc1nc(NC(=O)c2ccc(NC(=O)CSc3cccs3)cc2)n[n-]1 ZINC000524213246 1013021064 /nfs/dbraw/zinc/02/10/64/1013021064.db2.gz GLNWOJBGDQHVQV-UHFFFAOYSA-N -1 3 405.530 3.571 20 0 HHADHM CCCCN(Cc1ccccc1F)C(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000524224285 1013034599 /nfs/dbraw/zinc/03/45/99/1013034599.db2.gz BYXVKGSATCQVNI-UHFFFAOYSA-N -1 3 408.477 3.651 20 0 HHADHM CCCOc1ccc(CN(CCC)C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1OCC ZINC000524232446 1013042204 /nfs/dbraw/zinc/04/22/04/1013042204.db2.gz QXCZZLAZIMDMHZ-UHFFFAOYSA-N -1 3 424.497 3.810 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2cccc(I)c2)c(C)c1 ZINC000565625969 1072590441 /nfs/dbraw/zinc/59/04/41/1072590441.db2.gz KVSPJEYJIIBOHU-UHFFFAOYSA-N -1 3 417.268 3.799 20 0 HHADHM CCc1cnc(COC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)o1 ZINC000785417125 1071809720 /nfs/dbraw/zinc/80/97/20/1071809720.db2.gz AGESNWXSVQXZHB-UHFFFAOYSA-N -1 3 404.419 3.534 20 0 HHADHM COC(=O)c1cccc(-c2noc(-c3c[n-]c(=NC(=O)OC(C)(C)C)s3)n2)c1 ZINC000904608821 1071824905 /nfs/dbraw/zinc/82/49/05/1071824905.db2.gz RPHIMBUWRDTYBB-UHFFFAOYSA-N -1 3 402.432 3.994 20 0 HHADHM CSCC[C@@H]([N-]S(=O)(=O)c1ccccc1)c1nc(Cc2ccccc2C)no1 ZINC000904646388 1071837706 /nfs/dbraw/zinc/83/77/06/1071837706.db2.gz CKJYZWSQHXXZOP-GOSISDBHSA-N -1 3 417.556 3.742 20 0 HHADHM COC1(c2noc([C@H](CC(C)C)[N-]S(=O)(=O)c3ccc(C)cc3)n2)CCCC1 ZINC000904835765 1071914032 /nfs/dbraw/zinc/91/40/32/1071914032.db2.gz LLAQRMYFGNHHCW-KRWDZBQOSA-N -1 3 407.536 3.859 20 0 HHADHM Cc1c(F)cc(-c2noc([C@@H](N)CCc3cc(=O)oc4cc([O-])ccc34)n2)cc1F ZINC001212097729 1072074614 /nfs/dbraw/zinc/07/46/14/1072074614.db2.gz GXNPYNWDZCGVNF-KRWDZBQOSA-N -1 3 413.380 3.768 20 0 HHADHM N[C@@H](CCc1cc(=O)oc2cc([O-])ccc12)c1nc(-c2cccc(F)c2Cl)no1 ZINC001212097893 1072075688 /nfs/dbraw/zinc/07/56/88/1072075688.db2.gz NZMWQKARTKGSAK-HNNXBMFYSA-N -1 3 415.808 3.974 20 0 HHADHM N[C@@H](CCc1cc(=O)oc2cc([O-])ccc12)c1nc(-c2ccc(F)c(F)c2F)no1 ZINC001212098024 1072075959 /nfs/dbraw/zinc/07/59/59/1072075959.db2.gz UWLPPQBSGCEMHN-AWEZNQCLSA-N -1 3 417.343 3.599 20 0 HHADHM CCCCN(C)c1ccc([N-]S(=O)(=O)c2cccc(S(=O)(=O)CC)c2)cc1 ZINC000760310481 1072239036 /nfs/dbraw/zinc/23/90/36/1072239036.db2.gz CDBLUGMKQWGSOF-UHFFFAOYSA-N -1 3 410.561 3.517 20 0 HHADHM CC(C)C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccnc2)c(Cl)cc1Cl ZINC000913005002 1072313940 /nfs/dbraw/zinc/31/39/40/1072313940.db2.gz KUAPGCCUUVAWNG-UHFFFAOYSA-N -1 3 402.303 3.575 20 0 HHADHM O=C(Nc1cccc(C(F)(F)F)c1)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000729833484 1072350302 /nfs/dbraw/zinc/35/03/02/1072350302.db2.gz JOYVZDGEZIGBDN-UHFFFAOYSA-N -1 3 420.359 3.677 20 0 HHADHM CN1CC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)[C@H]1c1ccc(Cl)cc1 ZINC000760429815 1072349120 /nfs/dbraw/zinc/34/91/20/1072349120.db2.gz HBQWPKUUZXTMAT-IUODEOHRSA-N -1 3 420.749 3.766 20 0 HHADHM Cc1cc(Br)ccc1NC(=O)COC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000913298256 1072359479 /nfs/dbraw/zinc/35/94/79/1072359479.db2.gz IEBQWMDUSFETBO-UHFFFAOYSA-N -1 3 404.220 3.536 20 0 HHADHM Cc1cc(Br)ccc1NC(=O)COC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000913298256 1072359488 /nfs/dbraw/zinc/35/94/88/1072359488.db2.gz IEBQWMDUSFETBO-UHFFFAOYSA-N -1 3 404.220 3.536 20 0 HHADHM O=C(COC(=O)c1cc(-c2ccco2)[n-]n1)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000913298637 1072360605 /nfs/dbraw/zinc/36/06/05/1072360605.db2.gz POUXDCHEGYHUHF-UHFFFAOYSA-N -1 3 417.425 3.528 20 0 HHADHM O=C(COC(=O)c1cc(-c2ccco2)n[n-]1)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000913298637 1072360618 /nfs/dbraw/zinc/36/06/18/1072360618.db2.gz POUXDCHEGYHUHF-UHFFFAOYSA-N -1 3 417.425 3.528 20 0 HHADHM COc1cc(Cl)c(S(=O)(=O)[N-]N=c2ccc(C(F)(F)F)c[nH]2)cc1Cl ZINC000729835793 1072407040 /nfs/dbraw/zinc/40/70/40/1072407040.db2.gz DWSCNCAYACNBBB-UHFFFAOYSA-N -1 3 416.208 3.721 20 0 HHADHM COC(=O)[C@@H](CS(=O)(=O)[N-]c1cc(C)cc(C(F)(F)F)c1)c1ccccc1 ZINC000586686874 1072410290 /nfs/dbraw/zinc/41/02/90/1072410290.db2.gz PCTKAKNJKYGTOQ-INIZCTEOSA-N -1 3 401.406 3.712 20 0 HHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)N2CCc3ccccc3C2)CC1 ZINC000571271729 1072594169 /nfs/dbraw/zinc/59/41/69/1072594169.db2.gz QYNVJEKAHHWCOX-UHFFFAOYSA-N -1 3 413.905 3.874 20 0 HHADHM O=C(Nc1ccc(Br)cc1[O-])[C@@H]1CCCN1C(=O)Nc1ccccc1 ZINC000571496275 1072640771 /nfs/dbraw/zinc/64/07/71/1072640771.db2.gz VSMGJDXLGNYMRZ-HNNXBMFYSA-N -1 3 404.264 3.790 20 0 HHADHM CCC(CC)c1nnc([N-]C(=O)c2oc3ccccc3c2CS(C)(=O)=O)s1 ZINC000588016140 1072754968 /nfs/dbraw/zinc/75/49/68/1072754968.db2.gz BZAHTAJDCXIROG-UHFFFAOYSA-N -1 3 407.517 3.985 20 0 HHADHM O=C(c1c[n-]c2ccc(I)cc2c1=O)N1CCC2(CCC2)CC1 ZINC000588023042 1072759910 /nfs/dbraw/zinc/75/99/10/1072759910.db2.gz NQOBBODWSKJSPL-UHFFFAOYSA-N -1 3 422.266 3.539 20 0 HHADHM CC(C)(C)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2Cl)CCO1 ZINC000479392764 1072804905 /nfs/dbraw/zinc/80/49/05/1072804905.db2.gz PPHXZKLOSMVCAH-FZMZJTMJSA-N -1 3 410.761 3.975 20 0 HHADHM C[C@H](C[C@@H]1CCCO1)[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000588173043 1072881414 /nfs/dbraw/zinc/88/14/14/1072881414.db2.gz HYWWGILFVQLPFK-KOLCDFICSA-N -1 3 416.259 3.704 20 0 HHADHM Cc1cccc(C)c1CS(=O)(=O)[N-][C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000555320989 1073349366 /nfs/dbraw/zinc/34/93/66/1073349366.db2.gz ZIXSRHOMECWCPQ-OAHLLOKOSA-N -1 3 403.479 3.982 20 0 HHADHM C[C@H](CC(=O)N(CC1CCC1)c1ccccc1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000760719336 1073360849 /nfs/dbraw/zinc/36/08/49/1073360849.db2.gz NRHKAULRHYCIDD-OAHLLOKOSA-N -1 3 421.950 3.625 20 0 HHADHM O=S(=O)([N-][C@@H](c1nccs1)C(F)(F)F)c1cccc(OC(F)(F)F)c1 ZINC000555414140 1073437003 /nfs/dbraw/zinc/43/70/03/1073437003.db2.gz BAZQRIZCMSFFID-VIFPVBQESA-N -1 3 406.329 3.624 20 0 HHADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC(C)(C)c2ccccc2C)cc1 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Cn1c(CN[C@@H](CSCCOc2ccccc2)C(=O)[O-])nc2ccc(Cl)cc21 ZINC000426764948 974642127 /nfs/dbraw/zinc/64/21/27/974642127.db2.gz ZEBUBLGKVRQENI-KRWDZBQOSA-N -1 3 419.934 3.582 20 0 HHADHM O=C([O-])[C@H](NCc1cn(-c2ccc(F)cc2Cl)nn1)C12CC3CC(CC(C3)C1)C2 ZINC000426768011 974644983 /nfs/dbraw/zinc/64/49/83/974644983.db2.gz TWIDCTUEEHWPSK-IURMSMQVSA-N -1 3 418.900 3.819 20 0 HHADHM O=C([O-])[C@H](Cc1ccc(OC(F)F)cc1)NCc1cc(F)ccc1Br ZINC000426791267 974662654 /nfs/dbraw/zinc/66/26/54/974662654.db2.gz DEAAXDQCHOUYNC-HNNXBMFYSA-N -1 3 418.209 3.975 20 0 HHADHM Cc1nn(-c2ccc(Br)cc2)cc1CN[C@@H](C(=O)[O-])c1ccccc1 ZINC000426813623 974679347 /nfs/dbraw/zinc/67/93/47/974679347.db2.gz YFJLLYHLXCBQDD-GOSISDBHSA-N -1 3 400.276 3.859 20 0 HHADHM COc1ccc(CN[C@@H](C(=O)[O-])c2ccc(Br)cc2)cc1OC(F)F ZINC000426820574 974685963 /nfs/dbraw/zinc/68/59/63/974685963.db2.gz ZSSQUUVAPBROEX-OAHLLOKOSA-N -1 3 416.218 3.975 20 0 HHADHM COc1cc(CN[C@@H](C(=O)[O-])c2ccc(Br)cc2)ccc1OC(F)F ZINC000426826726 974692084 /nfs/dbraw/zinc/69/20/84/974692084.db2.gz UOGNLHCMOYJBAB-OAHLLOKOSA-N -1 3 416.218 3.975 20 0 HHADHM COc1cc(CN[C@@H](C(=O)[O-])c2ccsc2)ccc1OCc1c(C)noc1C ZINC000426832248 974697067 /nfs/dbraw/zinc/69/70/67/974697067.db2.gz ILVRHQPUAXAIEY-LJQANCHMSA-N -1 3 402.472 3.856 20 0 HHADHM COCCc1nc(=NC[C@@H]2CCCN(C)[C@@H]2c2ccc(C(F)(F)F)cc2)s[n-]1 ZINC000426889182 974733597 /nfs/dbraw/zinc/73/35/97/974733597.db2.gz DFUJJMQCRULIOY-WMLDXEAASA-N -1 3 414.497 3.663 20 0 HHADHM Cc1nc(C)c(CC(=O)Nc2ccc(OCC(F)(F)F)c(C(F)(F)F)c2)c(=O)[n-]1 ZINC000426942273 974767262 /nfs/dbraw/zinc/76/72/62/974767262.db2.gz JQGXVKRVWOPBIV-UHFFFAOYSA-N -1 3 423.313 3.940 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1[C@H](C)C[C@H](c2ccccc2)[C@@H]1C ZINC000426954983 974776368 /nfs/dbraw/zinc/77/63/68/974776368.db2.gz PINSUUXEOBRSPU-NRJQMVOHSA-N -1 3 416.525 3.866 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)N(CCO)Cc1cc(Br)cs1 ZINC000427583112 975199395 /nfs/dbraw/zinc/19/93/95/975199395.db2.gz LRKQGEVKKYVPEO-UHFFFAOYSA-N -1 3 416.312 3.699 20 0 HHADHM C[C@H]1CCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)CC1(F)F ZINC000427657619 975228030 /nfs/dbraw/zinc/22/80/30/975228030.db2.gz QXNDNPBRRMNKOC-ZDUSSCGKSA-N -1 3 412.433 3.744 20 0 HHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2Cl)cnc1C ZINC000427750043 975267608 /nfs/dbraw/zinc/26/76/08/975267608.db2.gz SKESBVZDXONFPI-UHFFFAOYSA-N -1 3 408.785 3.650 20 0 HHADHM Cc1cc(C(=O)NCc2ccc([O-])c(F)c2)nn1-c1ccc(Br)cc1 ZINC000427938649 975358495 /nfs/dbraw/zinc/35/84/95/975358495.db2.gz DURVNTLOJWQWNT-UHFFFAOYSA-N -1 3 404.239 3.718 20 0 HHADHM O=S(=O)([N-]C[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O)c1ccc(Cl)s1 ZINC000428395381 975716273 /nfs/dbraw/zinc/71/62/73/975716273.db2.gz DWZAYDMGUMVAOX-PBHICJAKSA-N -1 3 403.928 3.593 20 0 HHADHM O=C([N-]c1nnc(/C=C\c2ccco2)s1)c1cnc(OCc2ccccc2)cn1 ZINC000428811852 976091502 /nfs/dbraw/zinc/09/15/02/976091502.db2.gz KWNOWZZSAFFNJT-HJWRWDBZSA-N -1 3 405.439 3.923 20 0 HHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CCC[C@@H](CSC)C3)nc(=O)c2c1C ZINC000429269947 976557221 /nfs/dbraw/zinc/55/72/21/976557221.db2.gz CZSGFULPSIICNO-CHWSQXEVSA-N -1 3 409.577 3.606 20 0 HHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N[C@H](C)c3cccc(O)c3)nc(=O)c2c1C ZINC000429307065 976580675 /nfs/dbraw/zinc/58/06/75/976580675.db2.gz IYQXLVFWNFHYTB-NEPJUHHUSA-N -1 3 401.488 3.587 20 0 HHADHM CC1(C)[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Br)[C@H]2CCCO[C@@H]21 ZINC000429825317 977095246 /nfs/dbraw/zinc/09/52/46/977095246.db2.gz FUJNXLNRDLFXTB-HONMWMINSA-N -1 3 408.745 3.584 20 0 HHADHM O=S(=O)(NCc1ccc([O-])c(Br)c1)c1ccc(Cl)cc1Cl ZINC000429846008 977117930 /nfs/dbraw/zinc/11/79/30/977117930.db2.gz DAJOMEXFIURNFJ-UHFFFAOYSA-N -1 3 411.104 3.940 20 0 HHADHM O=S(=O)([N-]Cc1ccc2c(n1)CCCC2)c1cc(Cl)ccc1Br ZINC000429894216 977169517 /nfs/dbraw/zinc/16/95/17/977169517.db2.gz BWYBFFMHRCOFBD-UHFFFAOYSA-N -1 3 415.740 3.855 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)NC[C@@H](CO)Cc1cccc(Br)c1 ZINC000430137383 977341191 /nfs/dbraw/zinc/34/11/91/977341191.db2.gz WCFIGNJSOHGFTM-INIZCTEOSA-N -1 3 424.310 3.584 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N(C)c1ccc(OC(C)C)cc1 ZINC000430522724 977612586 /nfs/dbraw/zinc/61/25/86/977612586.db2.gz WEDBKCDKBGFUMA-UHFFFAOYSA-N -1 3 406.486 3.523 20 0 HHADHM COCCC(C)(C)CNC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430578036 977641558 /nfs/dbraw/zinc/64/15/58/977641558.db2.gz OSZMTTKMTSHHLZ-UHFFFAOYSA-N -1 3 415.715 3.737 20 0 HHADHM CCCCN(CCCO)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430599522 977651052 /nfs/dbraw/zinc/65/10/52/977651052.db2.gz VWLFTVSWVREJBU-UHFFFAOYSA-N -1 3 415.715 3.569 20 0 HHADHM O=C(NCCc1ccccc1O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430652128 977668717 /nfs/dbraw/zinc/66/87/17/977668717.db2.gz MRQYXHCIKMRGLN-UHFFFAOYSA-N -1 3 421.678 3.622 20 0 HHADHM CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)c2cc([O-])ccc2Cl)c1 ZINC000431032979 977967088 /nfs/dbraw/zinc/96/70/88/977967088.db2.gz MPDWZHUAGMIJNZ-UHFFFAOYSA-N -1 3 410.923 3.945 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@H]1c2cccc(F)c2CC[C@@H]1C ZINC000431045097 977975572 /nfs/dbraw/zinc/97/55/72/977975572.db2.gz MQQCVLNPZJVBJX-FPTDNZKUSA-N -1 3 420.488 3.652 20 0 HHADHM O=S(=O)([N-]Cc1ccc2c(c1)COC2)c1cc(Br)ccc1Cl ZINC000431268548 978154434 /nfs/dbraw/zinc/15/44/34/978154434.db2.gz DPQWOLSOKKKUSI-UHFFFAOYSA-N -1 3 402.697 3.611 20 0 HHADHM COC(=O)c1ccc(C(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)c(Cl)c2)[n-]1 ZINC000431341420 978223022 /nfs/dbraw/zinc/22/30/22/978223022.db2.gz ITPWTTZCYJISIM-GFCCVEGCSA-N -1 3 403.866 3.722 20 0 HHADHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)c1ncc(Br)cn1 ZINC000431632834 978397937 /nfs/dbraw/zinc/39/79/37/978397937.db2.gz YHMSYAGWLBGGMO-ZETCQYMHSA-N -1 3 411.108 3.585 20 0 HHADHM CN(C)c1ccc(Br)c(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)F)c1 ZINC000431639229 978400573 /nfs/dbraw/zinc/40/05/73/978400573.db2.gz XLFFMXRUFABNTI-HNNXBMFYSA-N -1 3 419.291 3.800 20 0 HHADHM O=C(c1cccc(Cl)c1Cl)N1CCN(C(=O)c2cc([O-])ccc2Cl)CC1 ZINC000431725162 978462173 /nfs/dbraw/zinc/46/21/73/978462173.db2.gz ZJFIMYHOFLZBPD-UHFFFAOYSA-N -1 3 413.688 3.951 20 0 HHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CCc1cccc(C(F)(F)F)n1 ZINC000432279864 978741525 /nfs/dbraw/zinc/74/15/25/978741525.db2.gz KLLGHXYXOJRSBK-UHFFFAOYSA-N -1 3 402.369 3.815 20 0 HHADHM CC(C)COc1ccc(S(=O)(=O)[N-]c2cccc3c2OCC[C@H]3N(C)C)cc1 ZINC000432475841 978835036 /nfs/dbraw/zinc/83/50/36/978835036.db2.gz HKGIHGVTDGQGKO-HXUWFJFHSA-N -1 3 404.532 3.907 20 0 HHADHM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cccc4c3OCC[C@@H]4N(C)C)cc(Cl)c2O1 ZINC000432480958 978838882 /nfs/dbraw/zinc/83/88/82/978838882.db2.gz XQPBSJMCULAXMT-XIKOKIGWSA-N -1 3 422.934 3.849 20 0 HHADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc3c2OCC[C@H]3N(C)C)cc1OCC ZINC000432489425 978843881 /nfs/dbraw/zinc/84/38/81/978843881.db2.gz KXLOMDUHWUPEMS-GOSISDBHSA-N -1 3 420.531 3.670 20 0 HHADHM CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)c1C ZINC000432639632 978921127 /nfs/dbraw/zinc/92/11/27/978921127.db2.gz ZUMRIWYHONEDJF-UHFFFAOYSA-N -1 3 403.504 3.651 20 0 HHADHM O=S(=O)([N-]c1ccccc1F)c1cccc(-c2nc(-c3cscn3)no2)c1 ZINC000432682762 978935144 /nfs/dbraw/zinc/93/51/44/978935144.db2.gz VAIBPCHXYKUENY-UHFFFAOYSA-N -1 3 402.432 3.800 20 0 HHADHM COC(=O)[C@@H](C)Cc1ccc([N-]S(=O)(=O)c2cc(Cl)c(OC)cc2C)cc1 ZINC000432777541 978971600 /nfs/dbraw/zinc/97/16/00/978971600.db2.gz DHIQOPRHNGOLAZ-ZDUSSCGKSA-N -1 3 411.907 3.809 20 0 HHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cccc(F)c3Br)cc2)n1 ZINC000432874979 978998205 /nfs/dbraw/zinc/99/82/05/978998205.db2.gz FFKXDJSIGNDVRF-UHFFFAOYSA-N -1 3 402.223 3.899 20 0 HHADHM Cn1c2ccccc2nc1[C@H](NC(=O)c1cc(F)cc2n[n-]nc21)c1ccccc1 ZINC000433301936 979224065 /nfs/dbraw/zinc/22/40/65/979224065.db2.gz HJPSXAPWSYCAEE-LJQANCHMSA-N -1 3 400.417 3.503 20 0 HHADHM COCc1ccccc1C[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000433650155 979452593 /nfs/dbraw/zinc/45/25/93/979452593.db2.gz QKJUPBKSBRYADY-UHFFFAOYSA-N -1 3 410.742 3.789 20 0 HHADHM CSC1(CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)CCC1 ZINC000433696904 979493310 /nfs/dbraw/zinc/49/33/10/979493310.db2.gz LRXYCISGTBLXCL-UHFFFAOYSA-N -1 3 408.520 3.642 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]C[C@H](c2cccnc2)C(C)C)sc1Br ZINC000433734196 979530182 /nfs/dbraw/zinc/53/01/82/979530182.db2.gz XDTZUFBYNCJEHQ-ZDUSSCGKSA-N -1 3 403.367 3.932 20 0 HHADHM COc1ccccc1O[C@H](C)C[N-]S(=O)(=O)c1cc(C)c(Br)s1 ZINC000433814044 979594806 /nfs/dbraw/zinc/59/48/06/979594806.db2.gz GIRZIFSMTQIHNG-LLVKDONJSA-N -1 3 420.350 3.573 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)Nc3ccsc3Cl)c2)[n-]1 ZINC000433847204 979623130 /nfs/dbraw/zinc/62/31/30/979623130.db2.gz PVGHNFBNGLKDHG-UHFFFAOYSA-N -1 3 405.867 3.685 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)Nc3ccsc3Cl)c2)n[n-]1 ZINC000433847204 979623135 /nfs/dbraw/zinc/62/31/35/979623135.db2.gz PVGHNFBNGLKDHG-UHFFFAOYSA-N -1 3 405.867 3.685 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(CCCc3ccccc3)c2)c(C)o1 ZINC000433938499 979697562 /nfs/dbraw/zinc/69/75/62/979697562.db2.gz DDOPNTAIJGFYNS-UHFFFAOYSA-N -1 3 412.511 3.924 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(F)ccc2Oc2ccccc2)c(C)o1 ZINC000433945872 979704885 /nfs/dbraw/zinc/70/48/85/979704885.db2.gz LODDSJJPAOLAMI-UHFFFAOYSA-N -1 3 404.419 3.680 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(C)C)c(C)o1 ZINC000433950585 979709146 /nfs/dbraw/zinc/70/91/46/979709146.db2.gz XYWVCNGAONXVMF-MRXNPFEDSA-N -1 3 418.437 3.642 20 0 HHADHM C[C@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000433997041 979745218 /nfs/dbraw/zinc/74/52/18/979745218.db2.gz LIMVNDSQKYJYSQ-KZULUSFZSA-N -1 3 405.292 3.688 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(Oc3cccc(C)c3)cc2)c(C)o1 ZINC000434211883 979981670 /nfs/dbraw/zinc/98/16/70/979981670.db2.gz ONQVAJJNFYIZPH-UHFFFAOYSA-N -1 3 400.456 3.849 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)c(C)o1 ZINC000434351485 980110439 /nfs/dbraw/zinc/11/04/39/980110439.db2.gz CCVMMGLEANIGPK-UHFFFAOYSA-N -1 3 421.862 3.589 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cccc(C)c2F)c(I)c1 ZINC000434632738 980309642 /nfs/dbraw/zinc/30/96/42/980309642.db2.gz AFTGDUIBCYUOTP-UHFFFAOYSA-N -1 3 421.231 3.548 20 0 HHADHM CC[C@H](O)CN(Cc1ccccc1)C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000435132404 980662944 /nfs/dbraw/zinc/66/29/44/980662944.db2.gz XGZDLOUWBKOLJL-FQEVSTJZSA-N -1 3 406.486 3.963 20 0 HHADHM COC(=O)c1cc([N-]S(=O)(=O)c2cccc(C)c2Br)c(F)cc1F ZINC000435135673 980666484 /nfs/dbraw/zinc/66/64/84/980666484.db2.gz SWGMQEFCGHCWQW-UHFFFAOYSA-N -1 3 420.231 3.623 20 0 HHADHM CCCc1nnc([N-]C(=O)c2cc(I)c(F)cc2F)s1 ZINC000435145247 980676997 /nfs/dbraw/zinc/67/69/97/980676997.db2.gz PKUPUFUCUVAUOD-UHFFFAOYSA-N -1 3 409.199 3.626 20 0 HHADHM O=S(=O)([N-]C1CCC2(CCOCC2)CC1)c1cc(F)ccc1Br ZINC000435211693 980724895 /nfs/dbraw/zinc/72/48/95/980724895.db2.gz UDJBZTYYDATSFQ-UHFFFAOYSA-N -1 3 406.317 3.606 20 0 HHADHM O=S(=O)([N-][C@@H]1CCCN(c2ccccc2)C1)c1cc(F)ccc1Br ZINC000435225816 980733502 /nfs/dbraw/zinc/73/35/02/980733502.db2.gz LQPFMOLIJWHOMV-CQSZACIVSA-N -1 3 413.312 3.536 20 0 HHADHM COc1ccc(NC(=O)[C@H]2CCCCO2)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000435430795 980858602 /nfs/dbraw/zinc/85/86/02/980858602.db2.gz FTNNINAYVPCHEH-QGZVFWFLSA-N -1 3 424.906 3.657 20 0 HHADHM CCOc1cccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2cc(F)ccc2Br)c1 ZINC000435433265 980860193 /nfs/dbraw/zinc/86/01/93/980860193.db2.gz NBNNBJDWRFWDTF-GOEBONIOSA-N -1 3 414.296 3.821 20 0 HHADHM COC(=O)[C@H](C)[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)c1ccccc1 ZINC000435440311 980864094 /nfs/dbraw/zinc/86/40/94/980864094.db2.gz VNRNQBCVUZGDKF-MEBBXXQBSA-N -1 3 420.289 3.961 20 0 HHADHM Cc1ccc(NC(=O)N(C)C)cc1[N-]S(=O)(=O)c1ccc2c(c1)CC(C)(C)O2 ZINC000435487875 980898533 /nfs/dbraw/zinc/89/85/33/980898533.db2.gz WJDCLJQIMXGIQM-UHFFFAOYSA-N -1 3 403.504 3.603 20 0 HHADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000435585355 980950623 /nfs/dbraw/zinc/95/06/23/980950623.db2.gz TVWNBJPZBZLSIV-YEORSEQZSA-N -1 3 419.446 3.778 20 0 HHADHM O=S(=O)([N-][C@H]1C[C@@H]1c1ccccc1OC(F)F)c1ccc(Br)s1 ZINC000435587984 980951272 /nfs/dbraw/zinc/95/12/72/980951272.db2.gz HKJJICPSDWIAAN-ZJUUUORDSA-N 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ZINC000436243909 981266312 /nfs/dbraw/zinc/26/63/12/981266312.db2.gz QUCXNNGRRWOEDD-CQSZACIVSA-N -1 3 420.498 3.995 20 0 HHADHM C[C@H](NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1cc2ccccc2s1 ZINC000436485453 981396061 /nfs/dbraw/zinc/39/60/61/981396061.db2.gz GVYNYIFZSVRYKK-HNNXBMFYSA-N -1 3 409.511 3.836 20 0 HHADHM Cc1sc(CCNC(=O)CCNC(=O)c2ccc(C)cc2[O-])nc1-c1ccccc1 ZINC000436486917 981396633 /nfs/dbraw/zinc/39/66/33/981396633.db2.gz RXGKSYJANAFZIR-UHFFFAOYSA-N -1 3 423.538 3.611 20 0 HHADHM CC(C)c1cc(Br)ccc1NC(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000436510513 981409673 /nfs/dbraw/zinc/40/96/73/981409673.db2.gz DOOUWAJGHUMSGI-UHFFFAOYSA-N -1 3 420.307 3.830 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@H]1CCCC12CCOCC2 ZINC000436518523 981413593 /nfs/dbraw/zinc/41/35/93/981413593.db2.gz KGDWGFGNDDYDHZ-VXKWHMMOSA-N -1 3 422.525 3.719 20 0 HHADHM C[C@H](Cc1ccc(Cl)cc1)C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436523153 981416044 /nfs/dbraw/zinc/41/60/44/981416044.db2.gz QDTJIHKSUIBBSB-OAHLLOKOSA-N -1 3 400.906 3.645 20 0 HHADHM CO[C@]1(C)C[C@H](NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1(C)C ZINC000436524606 981417428 /nfs/dbraw/zinc/41/74/28/981417428.db2.gz AQUHJGRKURFCFV-MZLICYQSSA-N -1 3 410.514 3.573 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCCc1cc(F)ccc1F ZINC000436526023 981418471 /nfs/dbraw/zinc/41/84/71/981418471.db2.gz IBRQDTNUDWAGBQ-JOCHJYFZSA-N -1 3 424.447 3.891 20 0 HHADHM CCc1cnc(CN(C)C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)s1 ZINC000436528113 981420849 /nfs/dbraw/zinc/42/08/49/981420849.db2.gz NGVVQQDRUSLCFN-HXUWFJFHSA-N -1 3 423.538 3.931 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCC(OCC2CC2)CC1 ZINC000436527829 981420867 /nfs/dbraw/zinc/42/08/67/981420867.db2.gz MFWCNTJNGVZBSI-HSZRJFAPSA-N -1 3 422.525 3.671 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCOC2(CCCCC2)C1 ZINC000436528780 981420972 /nfs/dbraw/zinc/42/09/72/981420972.db2.gz PKYQHYPHUNUGQN-QFIPXVFZSA-N -1 3 422.525 3.815 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCC[C@@]2(CCCOC2)C1 ZINC000436529444 981421836 /nfs/dbraw/zinc/42/18/36/981421836.db2.gz ROHHOPDMWVSBOV-RCZVLFRGSA-N -1 3 422.525 3.673 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CC[C@@H](C2CCOCC2)C1 ZINC000436540514 981430482 /nfs/dbraw/zinc/43/04/82/981430482.db2.gz ZMGUSNNUZWOONM-GGAORHGYSA-N -1 3 422.525 3.529 20 0 HHADHM NC(=O)c1ccn(-c2ccccc2NC(=O)c2cc(Cc3ccccc3)ccc2[O-])n1 ZINC000436541182 981430525 /nfs/dbraw/zinc/43/05/25/981430525.db2.gz WGOJSSYCTCQOMM-UHFFFAOYSA-N -1 3 412.449 3.520 20 0 HHADHM C[C@@H]1CN(C[C@H]2CCCN2C(=O)c2cc(Cc3ccccc3)ccc2[O-])C[C@@H](C)O1 ZINC000436546510 981434082 /nfs/dbraw/zinc/43/40/82/981434082.db2.gz GDBBGNYHQZLNFD-WOIUINJBSA-N -1 3 408.542 3.697 20 0 HHADHM Cc1cc(C(=O)N2CCN(C(=O)c3cc(Oc4ccccc4)ccc3[O-])CC2)c(C)o1 ZINC000436549310 981435540 /nfs/dbraw/zinc/43/55/40/981435540.db2.gz VYHFQGQJFNZVEK-UHFFFAOYSA-N -1 3 420.465 3.993 20 0 HHADHM Cn1c2ccccc2nc1[C@H](NC(=O)c1cc2c(cc1[O-])OCO2)c1ccccc1 ZINC000436548330 981435695 /nfs/dbraw/zinc/43/56/95/981435695.db2.gz QPXIMFJZDCKUSE-OAQYLSRUSA-N -1 3 401.422 3.527 20 0 HHADHM CS[C@@H]1CCCCN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000436554194 981439564 /nfs/dbraw/zinc/43/95/64/981439564.db2.gz DYAIXMCAQUMHFH-RTWAWAEBSA-N -1 3 412.555 3.998 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCc1ccc2c(c1)COC2 ZINC000436554201 981439686 /nfs/dbraw/zinc/43/96/86/981439686.db2.gz FAYOSAXFCAXKFN-HSZRJFAPSA-N -1 3 416.477 3.600 20 0 HHADHM CCN1CCN([C@H]2CCN(C(=O)c3cc(-c4ccccc4)cc(Cl)c3[O-])C2)CC1 ZINC000436556908 981441928 /nfs/dbraw/zinc/44/19/28/981441928.db2.gz MTMZZZHXLZTMOW-IBGZPJMESA-N -1 3 413.949 3.565 20 0 HHADHM O=c1nc(CN2CCN(c3cccc(O)c3)CC2)[n-]c2scc(-c3ccco3)c21 ZINC000436559003 981443116 /nfs/dbraw/zinc/44/31/16/981443116.db2.gz XZNBTFCMFXCXAV-UHFFFAOYSA-N -1 3 408.483 3.685 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCc1ccc(Cl)cn1 ZINC000436565745 981448536 /nfs/dbraw/zinc/44/85/36/981448536.db2.gz VSVCEYSVEBKDOA-FQEVSTJZSA-N -1 3 409.873 3.618 20 0 HHADHM COc1ccc(C(=O)N(C)C)cc1NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436566564 981448601 /nfs/dbraw/zinc/44/86/01/981448601.db2.gz VPVXATGFKWMEMG-UHFFFAOYSA-N -1 3 404.466 3.946 20 0 HHADHM CC(C)c1ccc(C(=O)N2CCN(C(=O)Cc3cccc(Cl)c3)CC2)c([O-])c1 ZINC000436577877 981455914 /nfs/dbraw/zinc/45/59/14/981455914.db2.gz VYCOOMNLYMRBJP-UHFFFAOYSA-N -1 3 400.906 3.696 20 0 HHADHM CN(C(=O)c1cc(CCc2ccccc2)ccc1[O-])[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000436588830 981462635 /nfs/dbraw/zinc/46/26/35/981462635.db2.gz ODPCBDNFTFRHBP-UNMCSNQZSA-N -1 3 415.555 3.605 20 0 HHADHM O=C(NC1CCN(C(=O)c2ccco2)CC1)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436590506 981463367 /nfs/dbraw/zinc/46/33/67/981463367.db2.gz SROKADVITXCWGE-UHFFFAOYSA-N -1 3 418.493 3.805 20 0 HHADHM CN(C)C(=O)c1cccc(CCNC(=O)c2cc(Cc3ccccc3)ccc2[O-])c1 ZINC000436592067 981464456 /nfs/dbraw/zinc/46/44/56/981464456.db2.gz SFZUTWVJGAZEQB-UHFFFAOYSA-N -1 3 402.494 3.657 20 0 HHADHM Cc1cc(C)c(C[C@H](C(=O)NCCNC(=O)c2ccc([O-])cc2)C(F)(F)F)c(C)c1 ZINC000436594950 981465763 /nfs/dbraw/zinc/46/57/63/981465763.db2.gz JPIIQZVAGKHKDN-LJQANCHMSA-N -1 3 422.447 3.585 20 0 HHADHM O=C(CCc1cc(Cl)cc(Cl)c1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436595407 981465771 /nfs/dbraw/zinc/46/57/71/981465771.db2.gz LORKMHVCMNFICY-UHFFFAOYSA-N -1 3 407.297 3.616 20 0 HHADHM CC[C@H](C)c1ccccc1NC(=O)[C@H](C)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436602728 981469279 /nfs/dbraw/zinc/46/92/79/981469279.db2.gz GFXDGRJBAMNAQW-ROUUACIJSA-N -1 3 409.530 3.691 20 0 HHADHM O=C(NCCCS(=O)(=O)Cc1ccccc1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436605107 981470403 /nfs/dbraw/zinc/47/04/03/981470403.db2.gz FGIJRLMWKOYSCS-UHFFFAOYSA-N -1 3 423.534 3.718 20 0 HHADHM CC(C)[C@H](NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(Cl)cc1 ZINC000436606750 981470874 /nfs/dbraw/zinc/47/08/74/981470874.db2.gz MUYPYILYDKPEQU-FQEVSTJZSA-N -1 3 415.921 3.910 20 0 HHADHM COc1cccc(C(=O)Nc2c(-c3ccc(Br)cc3)ncn2C)c1[O-] ZINC000436606602 981470974 /nfs/dbraw/zinc/47/09/74/981470974.db2.gz NIEPNHDWAXYFOL-UHFFFAOYSA-N -1 3 402.248 3.816 20 0 HHADHM C[C@H]1CN(c2ccc(CNC(=O)c3cc(Cc4ccccc4)ccc3[O-])cn2)CCO1 ZINC000436612686 981474769 /nfs/dbraw/zinc/47/47/69/981474769.db2.gz NHHUQRARZPCQMV-SFHVURJKSA-N -1 3 417.509 3.533 20 0 HHADHM CC(C)CC(=O)N1CCC(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000436614657 981475437 /nfs/dbraw/zinc/47/54/37/981475437.db2.gz AIBMBIPMHAVDHX-UHFFFAOYSA-N -1 3 408.542 3.944 20 0 HHADHM COCC1(CNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCCCC1 ZINC000436617990 981477262 /nfs/dbraw/zinc/47/72/62/981477262.db2.gz MEOHQNMFUQXXBQ-JOCHJYFZSA-N -1 3 424.541 3.967 20 0 HHADHM Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000436622165 981479523 /nfs/dbraw/zinc/47/95/23/981479523.db2.gz WYYBERQHYKSPCG-NWSQWKLXSA-N -1 3 422.525 3.589 20 0 HHADHM COc1cc(CNC(=O)c2cc3c(cc2[O-])OCO3)ccc1OCc1ccccc1 ZINC000436623972 981480168 /nfs/dbraw/zinc/48/01/68/981480168.db2.gz JOPGHCJJAICDHK-UHFFFAOYSA-N -1 3 407.422 3.639 20 0 HHADHM C[C@H](CC(=O)c1ccco1)NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436623016 981480236 /nfs/dbraw/zinc/48/02/36/981480236.db2.gz FOVKWLDACUAIBB-OXQOHEQNSA-N -1 3 420.465 3.624 20 0 HHADHM CC(C)CCOc1ccccc1CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436634294 981485066 /nfs/dbraw/zinc/48/50/66/981485066.db2.gz GFGVWWDAUDACCZ-HXUWFJFHSA-N -1 3 410.514 3.738 20 0 HHADHM O=C(Nc1cccc(N2CCC[NH+]=C2[O-])c1)c1cc(Cl)cc(Br)c1[O-] ZINC000436638638 981488375 /nfs/dbraw/zinc/48/83/75/981488375.db2.gz JJKQHAFRQQLKRH-UHFFFAOYSA-N -1 3 424.682 3.980 20 0 HHADHM Cc1ccc(Sc2ncccc2C(=O)NCCNC(=O)c2ccc([O-])cc2)cc1C ZINC000436644352 981490142 /nfs/dbraw/zinc/49/01/42/981490142.db2.gz UYWJURXRQWBYSK-UHFFFAOYSA-N -1 3 421.522 3.715 20 0 HHADHM C[C@@H](NC(=O)c1c([O-])cccc1O)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000436646538 981491069 /nfs/dbraw/zinc/49/10/69/981491069.db2.gz IBUCDLTZFNEUCK-CQSZACIVSA-N -1 3 408.429 3.909 20 0 HHADHM CC(=O)NCCN(Cc1ccsc1)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436658822 981495994 /nfs/dbraw/zinc/49/59/94/981495994.db2.gz NCOZNZGXYZRBDO-UHFFFAOYSA-N -1 3 408.523 3.823 20 0 HHADHM CC[C@@H](C)[C@H](NC(=O)CCNC(=O)c1ccc(C)cc1[O-])c1nc2ccccc2[nH]1 ZINC000436659731 981496112 /nfs/dbraw/zinc/49/61/12/981496112.db2.gz AAHUZMFFGJNUJZ-VFNWGFHPSA-N -1 3 408.502 3.600 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H](c2ncccc2C)C(C)C)c1 ZINC000436662936 981498276 /nfs/dbraw/zinc/49/82/76/981498276.db2.gz FERWODQNXCVPBY-LJQANCHMSA-N -1 3 408.458 3.771 20 0 HHADHM CC(C)(C)c1ccc2c(c1)CN(C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])CC2 ZINC000436662283 981498303 /nfs/dbraw/zinc/49/83/03/981498303.db2.gz YDCKSTNDXKFYRX-OAQYLSRUSA-N -1 3 406.526 3.879 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)c([O-])c1 ZINC000436664143 981499136 /nfs/dbraw/zinc/49/91/36/981499136.db2.gz HQWGTPORAGLCRZ-QGZVFWFLSA-N -1 3 409.511 3.794 20 0 HHADHM O=C(c1ccccc1[O-])N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)CC1 ZINC000436672579 981504087 /nfs/dbraw/zinc/50/40/87/981504087.db2.gz MJNUQOBGMXNGSX-FGZHOGPDSA-N -1 3 400.478 3.634 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCCCCOc2ccc(C)cc2)c1 ZINC000436672675 981504806 /nfs/dbraw/zinc/50/48/06/981504806.db2.gz GNZXVOSYEHZJLQ-UHFFFAOYSA-N -1 3 423.469 3.838 20 0 HHADHM CC(C)Oc1ccc(CC[C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000436676933 981506974 /nfs/dbraw/zinc/50/69/74/981506974.db2.gz AVBYHWPFHUFOPE-GCJKJVERSA-N -1 3 424.541 3.922 20 0 HHADHM O=C(NCCNC(=O)C1(Cc2cccc(Cl)c2)CCCC1)c1ccc([O-])cc1 ZINC000436678554 981507506 /nfs/dbraw/zinc/50/75/06/981507506.db2.gz CKXLVLDQUMMBPW-UHFFFAOYSA-N -1 3 400.906 3.695 20 0 HHADHM CCO[C@@H]1C[C@@H](NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])C1(CC)CC ZINC000436680350 981509085 /nfs/dbraw/zinc/50/90/85/981509085.db2.gz NZIUBMKABPZGNZ-RTBURBONSA-N -1 3 415.490 3.655 20 0 HHADHM O=C(Nc1cc(C(F)(F)F)ccc1F)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436681899 981509626 /nfs/dbraw/zinc/50/96/26/981509626.db2.gz TXJFFFDLYFTJTD-UHFFFAOYSA-N -1 3 411.355 3.540 20 0 HHADHM O=C(C[C@@H](Cc1ccccc1)c1ccccc1)NCCNC(=O)c1ccc([O-])cc1 ZINC000436683998 981510997 /nfs/dbraw/zinc/51/09/97/981510997.db2.gz XCKQYVKVCKCMHT-JOCHJYFZSA-N -1 3 402.494 3.655 20 0 HHADHM COc1cc(-c2nc(-c3ccc(I)cc3)no2)cc(OC)c1[O-] ZINC000436685124 981511837 /nfs/dbraw/zinc/51/18/37/981511837.db2.gz AEYXDMOQLHVBLD-UHFFFAOYSA-N -1 3 424.194 3.731 20 0 HHADHM CCCC(=O)NC[C@H]1CCCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC000436698491 981519201 /nfs/dbraw/zinc/51/92/01/981519201.db2.gz OIBIYLCJNGZLID-OAQYLSRUSA-N -1 3 408.542 3.946 20 0 HHADHM Cc1cc(C)c(C(=O)CCCC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c(C)c1 ZINC000436700296 981519704 /nfs/dbraw/zinc/51/97/04/981519704.db2.gz UURFFYLJHNXCFP-UHFFFAOYSA-N -1 3 422.525 3.655 20 0 HHADHM C[S@@](=O)Cc1ccc(CNC(=O)c2cc(CCc3ccccc3)ccc2[O-])cc1 ZINC000436715513 981527315 /nfs/dbraw/zinc/52/73/15/981527315.db2.gz XCMCUMBPXTXTJI-GDLZYMKVSA-N -1 3 407.535 3.986 20 0 HHADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000436718232 981528958 /nfs/dbraw/zinc/52/89/58/981528958.db2.gz YYWPLVCQUZDYPF-JOCHJYFZSA-N -1 3 415.493 3.794 20 0 HHADHM C[C@H](CC(C)(C)c1ccccc1)NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436723460 981531871 /nfs/dbraw/zinc/53/18/71/981531871.db2.gz OAPLJENSHIOFGS-GOSISDBHSA-N -1 3 409.530 3.616 20 0 HHADHM COc1ccccc1C1(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)CCCCC1 ZINC000436722528 981531879 /nfs/dbraw/zinc/53/18/79/981531879.db2.gz NXPZTCCUKOGGSO-UHFFFAOYSA-N -1 3 422.525 3.587 20 0 HHADHM O=C(Nc1cccc(-n2cccc2)c1)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436728213 981533864 /nfs/dbraw/zinc/53/38/64/981533864.db2.gz IZJSCOVBMAJWEY-UHFFFAOYSA-N -1 3 404.470 3.609 20 0 HHADHM COc1ccccc1[C@H](CNC(=O)c1ccc(Br)cc1[O-])N1CCCC1 ZINC000436731469 981536043 /nfs/dbraw/zinc/53/60/43/981536043.db2.gz PIQREBSQBIAHFT-KRWDZBQOSA-N -1 3 419.319 3.730 20 0 HHADHM COc1c(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])cc(Cl)cc1C(N)=O ZINC000436731884 981536347 /nfs/dbraw/zinc/53/63/47/981536347.db2.gz RDSCFLXRWWSLIZ-UHFFFAOYSA-N -1 3 410.857 3.996 20 0 HHADHM O=C(NCCNC(=O)c1ccccc1NCc1ccccc1Cl)c1ccc([O-])cc1 ZINC000436738479 981539631 /nfs/dbraw/zinc/53/96/31/981539631.db2.gz LTOYVSJKCRXHRL-UHFFFAOYSA-N -1 3 423.900 3.818 20 0 HHADHM COc1cccc([C@@H](CNC(=O)c2cc(Cl)c([O-])c(OC)c2)N2CCCC2)c1 ZINC000436743361 981541325 /nfs/dbraw/zinc/54/13/25/981541325.db2.gz XVFMXQAWMMVKGX-GOSISDBHSA-N -1 3 404.894 3.630 20 0 HHADHM O=C(Nc1nccs1)[C@H]1CCCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436757561 981548101 /nfs/dbraw/zinc/54/81/01/981548101.db2.gz ISLPJHULUYUUSR-QGZVFWFLSA-N -1 3 409.467 3.884 20 0 HHADHM Cc1nc2cc(C)ccn2c1CN1CCN(C(=O)c2ccc(C(C)C)cc2[O-])CC1 ZINC000436757836 981548687 /nfs/dbraw/zinc/54/86/87/981548687.db2.gz VFBZYQPDLLSNKQ-UHFFFAOYSA-N -1 3 406.530 3.738 20 0 HHADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2F)CC1 ZINC000436772562 981555588 /nfs/dbraw/zinc/55/55/88/981555588.db2.gz OCEVJZVAYNCXCA-UHFFFAOYSA-N -1 3 422.431 3.936 20 0 HHADHM [O-]c1ccccc1-c1nc(CSc2nnc([C@H]3COc4ccccc4O3)o2)no1 ZINC000436776313 981556673 /nfs/dbraw/zinc/55/66/73/981556673.db2.gz IQARBPPJEPQDDG-OAHLLOKOSA-N -1 3 410.411 3.630 20 0 HHADHM CC(C)c1cc(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c(O)c(C(C)C)c1 ZINC000436779021 981557765 /nfs/dbraw/zinc/55/77/65/981557765.db2.gz IQVOYSXWLSVRAA-UHFFFAOYSA-N -1 3 410.514 3.943 20 0 HHADHM CC(=O)c1ccc(NC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1Cl ZINC000436781612 981558638 /nfs/dbraw/zinc/55/86/38/981558638.db2.gz UWLGYXWIOFMOMB-UHFFFAOYSA-N -1 3 415.877 3.675 20 0 HHADHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000436785066 981559989 /nfs/dbraw/zinc/55/99/89/981559989.db2.gz ZQVILQZSZXWMOU-FQEVSTJZSA-N -1 3 421.472 3.592 20 0 HHADHM COc1ccc([C@@H](NC(=O)c2cc(NC(C)=O)ccc2[O-])c2ccccc2OC)cc1 ZINC000436786863 981561395 /nfs/dbraw/zinc/56/13/95/981561395.db2.gz KZXSETYHRLNJLM-HSZRJFAPSA-N -1 3 420.465 3.887 20 0 HHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCN([C@H](C)c3ccc(Cl)cc3)CC2)c1 ZINC000436786983 981561477 /nfs/dbraw/zinc/56/14/77/981561477.db2.gz GFNSXOVUXMLSLI-CQSZACIVSA-N -1 3 401.894 3.523 20 0 HHADHM Cc1ccc(-c2nnc([C@H](C)N3CCN(C(=O)c4ccc([O-])cc4)CC3)o2)cc1C ZINC000436794703 981564824 /nfs/dbraw/zinc/56/48/24/981564824.db2.gz WTJMTGPPNCXQAJ-KRWDZBQOSA-N -1 3 406.486 3.578 20 0 HHADHM O=C(NCCCc1nnc2n1CCCCC2)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436797250 981567208 /nfs/dbraw/zinc/56/72/08/981567208.db2.gz ZNKWYXKTSDVOPR-UHFFFAOYSA-N -1 3 418.541 3.858 20 0 HHADHM COc1ccc(C(=O)N2CCC[C@H](Nc3cccc(Br)c3)C2)c([O-])c1 ZINC000436811529 981572385 /nfs/dbraw/zinc/57/23/85/981572385.db2.gz VKAJNDIZBKPSPC-HNNXBMFYSA-N -1 3 405.292 3.880 20 0 HHADHM CCN1CC[C@H](NC(=O)c2cc(NC(C)=O)ccc2[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000436813576 981572939 /nfs/dbraw/zinc/57/29/39/981572939.db2.gz FALVZVHDJPEFKE-ICSRJNTNSA-N -1 3 419.884 3.708 20 0 HHADHM CCS(=O)(=O)c1ccc(CNC(=O)c2cc(Oc3ccccc3)ccc2[O-])cc1 ZINC000436815241 981573341 /nfs/dbraw/zinc/57/33/41/981573341.db2.gz KGERZPJWIAUADT-UHFFFAOYSA-N -1 3 411.479 3.908 20 0 HHADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)c2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000436815784 981574029 /nfs/dbraw/zinc/57/40/29/981574029.db2.gz YAAIRLUQIZHSDH-UHFFFAOYSA-N -1 3 412.795 3.663 20 0 HHADHM CC(C)[C@@H]1CN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCCO1 ZINC000436822905 981576647 /nfs/dbraw/zinc/57/66/47/981576647.db2.gz XUMXJVNSJVYKID-VXKWHMMOSA-N -1 3 410.514 3.527 20 0 HHADHM CC(C)Oc1c(F)cc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1F ZINC000436825904 981578279 /nfs/dbraw/zinc/57/82/79/981578279.db2.gz IIPQNAQBWXJVQA-KRWDZBQOSA-N -1 3 404.413 3.701 20 0 HHADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)c2cccc(Nc3ccccc3)c2)CC1 ZINC000436834065 981581682 /nfs/dbraw/zinc/58/16/82/981581682.db2.gz XPKKRBHLWLVBTN-UHFFFAOYSA-N -1 3 401.466 3.734 20 0 HHADHM CC(C)(Cc1ccc(C(F)(F)F)cc1)C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000436836136 981582776 /nfs/dbraw/zinc/58/27/76/981582776.db2.gz XXNBQGLASCIDHG-UHFFFAOYSA-N -1 3 408.420 3.526 20 0 HHADHM O=C(c1ccccc1[O-])N1CCN(Cc2cc(F)c(C(F)(F)F)cc2F)CC1 ZINC000436841209 981585103 /nfs/dbraw/zinc/58/51/03/981585103.db2.gz SUUMFUHCMLCIJW-UHFFFAOYSA-N -1 3 400.347 3.647 20 0 HHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000436841629 981585750 /nfs/dbraw/zinc/58/57/50/981585750.db2.gz VYSNVAQMANWHTJ-IBGZPJMESA-N -1 3 402.498 3.998 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)N2CCC([C@H](F)c3ccccc3F)CC2)c([O-])c1 ZINC000436842893 981586103 /nfs/dbraw/zinc/58/61/03/981586103.db2.gz XYYIXHQNWXRIEC-QFIPXVFZSA-N -1 3 416.468 3.909 20 0 HHADHM O=C(c1ccccc1[O-])N1CCN(C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2Cl)CC1 ZINC000436844213 981586180 /nfs/dbraw/zinc/58/61/80/981586180.db2.gz DYYGUPVXSLYBLX-CVEARBPZSA-N -1 3 419.308 3.787 20 0 HHADHM CC1(C)Cc2cc(NC(=O)NC3CCN(C(=O)c4ccccc4[O-])CC3)ccc2O1 ZINC000436843072 981586191 /nfs/dbraw/zinc/58/61/91/981586191.db2.gz FZYAMIVGVQIEHE-UHFFFAOYSA-N -1 3 409.486 3.532 20 0 HHADHM Cc1ccc(C(=O)N(CCn2ccnc2)Cc2ccc(Br)o2)c([O-])c1 ZINC000436844428 981586777 /nfs/dbraw/zinc/58/67/77/981586777.db2.gz NGBRHRKPZRTQAZ-UHFFFAOYSA-N -1 3 404.264 3.595 20 0 HHADHM O=C(Nc1ccccc1)c1cccc(CN2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000436847126 981587740 /nfs/dbraw/zinc/58/77/40/981587740.db2.gz ZGYDVYPQMYQXHZ-UHFFFAOYSA-N -1 3 415.493 3.603 20 0 HHADHM C[C@@]1(c2ccccc2)CCCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000436849193 981588866 /nfs/dbraw/zinc/58/88/66/981588866.db2.gz DVFHLNQKQMWQSU-PXDATVDWSA-N -1 3 406.526 3.967 20 0 HHADHM O=C(Nc1ccc2oc(C(F)(F)F)nc2c1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436849705 981589452 /nfs/dbraw/zinc/58/94/52/981589452.db2.gz UXRYKMCPOBFVGT-CQSZACIVSA-N -1 3 419.359 3.796 20 0 HHADHM C[C@@H](NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1cc(Cl)ccc1Cl ZINC000436882818 981600344 /nfs/dbraw/zinc/60/03/44/981600344.db2.gz WNRVGEDZFMBKJL-CYBMUJFWSA-N -1 3 422.312 3.928 20 0 HHADHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CC=C(c2cccc(Cl)c2)CC1 ZINC000436884918 981601077 /nfs/dbraw/zinc/60/10/77/981601077.db2.gz BFIVFAXTJCWWKG-FQEVSTJZSA-N -1 3 410.901 3.966 20 0 HHADHM O=C(N[C@@H]1CC=C(c2ccc(F)cc2)CC1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436890440 981602943 /nfs/dbraw/zinc/60/29/43/981602943.db2.gz UDDBOFIEVBMTPT-CTNGQTDRSA-N -1 3 408.473 3.888 20 0 HHADHM COc1ccc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c(OC)c1 ZINC000436900353 981606508 /nfs/dbraw/zinc/60/65/08/981606508.db2.gz CMGFPGBOEPNXRA-NRFANRHFSA-N -1 3 420.465 3.909 20 0 HHADHM COc1ccc(CN(C)C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cc1 ZINC000436900032 981606608 /nfs/dbraw/zinc/60/66/08/981606608.db2.gz AWKPKUQKCOAEGM-HSZRJFAPSA-N -1 3 418.493 3.921 20 0 HHADHM Cc1ccccc1CCNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436901750 981607829 /nfs/dbraw/zinc/60/78/29/981607829.db2.gz HYXJCZINCXWJSK-HSZRJFAPSA-N -1 3 402.494 3.921 20 0 HHADHM C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436906838 981612626 /nfs/dbraw/zinc/61/26/26/981612626.db2.gz FFVJNKNUFYYTID-LEOXJPRUSA-N -1 3 424.541 3.965 20 0 HHADHM COCc1ccc(CNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cc1 ZINC000436908715 981613715 /nfs/dbraw/zinc/61/37/15/981613715.db2.gz JFOCSLJSWCPFIM-QHCPKHFHSA-N -1 3 418.493 3.716 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N(Cc1ccncc1)C1CC1 ZINC000436909260 981614597 /nfs/dbraw/zinc/61/45/97/981614597.db2.gz YEILWBSZZLBHMD-HSZRJFAPSA-N -1 3 415.493 3.840 20 0 HHADHM C[C@H](c1ccncc1)N(C)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436909949 981615277 /nfs/dbraw/zinc/61/52/77/981615277.db2.gz MNFZRMSMMLUVAO-VGOFRKELSA-N -1 3 403.482 3.868 20 0 HHADHM C[C@@H](c1ccncc1)N(C)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436909946 981615520 /nfs/dbraw/zinc/61/55/20/981615520.db2.gz MNFZRMSMMLUVAO-JTSKRJEESA-N -1 3 403.482 3.868 20 0 HHADHM COc1ccc(CNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cc1F ZINC000436910410 981616110 /nfs/dbraw/zinc/61/61/10/981616110.db2.gz NVLNVEMXVQUDIX-OAQYLSRUSA-N -1 3 422.456 3.718 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCCc1c(F)cccc1F ZINC000436914049 981620296 /nfs/dbraw/zinc/62/02/96/981620296.db2.gz XWYCAIAZSDPYHS-QFIPXVFZSA-N -1 3 424.447 3.891 20 0 HHADHM Cc1ccccc1[C@H](NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)C(C)(C)C ZINC000436919766 981624403 /nfs/dbraw/zinc/62/44/03/981624403.db2.gz OWVFFUUKEZBKPT-NRFANRHFSA-N -1 3 409.530 3.955 20 0 HHADHM CCCCOc1ccc(C(=O)N2CC[C@@](CO)(Cc3ccc(F)cc3)C2)c([O-])c1 ZINC000436927068 981628676 /nfs/dbraw/zinc/62/86/76/981628676.db2.gz OBSAALWPNDARJZ-HSZRJFAPSA-N -1 3 401.478 3.778 20 0 HHADHM Cc1[nH]c2c(cc(C)cc2CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c1C ZINC000436942089 981636192 /nfs/dbraw/zinc/63/61/92/981636192.db2.gz ALSJSNIHDBMLKN-HXUWFJFHSA-N -1 3 405.498 3.720 20 0 HHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(Oc2ccccc2)nc1 ZINC000436943708 981637066 /nfs/dbraw/zinc/63/70/66/981637066.db2.gz KQYGKYUPWYQCEC-UHFFFAOYSA-N -1 3 417.465 3.614 20 0 HHADHM CC(C)c1cc(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)nn1C(C)(C)C ZINC000436944789 981637793 /nfs/dbraw/zinc/63/77/93/981637793.db2.gz NVINVMCPGGTRGG-UHFFFAOYSA-N -1 3 412.534 3.502 20 0 HHADHM O=C(Nc1ccccc1)c1cccc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000436948469 981639216 /nfs/dbraw/zinc/63/92/16/981639216.db2.gz HIHSVWGJUQPLIY-UHFFFAOYSA-N -1 3 415.493 3.603 20 0 HHADHM CCc1c(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cnn1C(CC)CC ZINC000436947989 981639281 /nfs/dbraw/zinc/63/92/81/981639281.db2.gz NDVKEXIBRFVELH-UHFFFAOYSA-N -1 3 412.534 3.547 20 0 HHADHM CCNC(=O)COc1cccc(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])c1 ZINC000436949639 981640068 /nfs/dbraw/zinc/64/00/68/981640068.db2.gz AFEUWUKVPBGLCT-UHFFFAOYSA-N -1 3 406.438 3.952 20 0 HHADHM CC[C@H](C)c1ccccc1OCC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436950542 981640612 /nfs/dbraw/zinc/64/06/12/981640612.db2.gz ZSTLXICEBQISQK-KRWDZBQOSA-N -1 3 410.514 3.706 20 0 HHADHM O=C(CCCc1ccccc1Cl)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436950052 981640777 /nfs/dbraw/zinc/64/07/77/981640777.db2.gz XYVBFCMYGQNWLN-UHFFFAOYSA-N -1 3 400.906 3.789 20 0 HHADHM CCOc1cc(-c2noc([C@@H]3CCCc4nccn43)n2)cc(Br)c1[O-] ZINC000436957038 981645528 /nfs/dbraw/zinc/64/55/28/981645528.db2.gz RBSWATMIKVQRIO-LBPRGKRZSA-N -1 3 405.252 3.726 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2C[C@H](c3ccccc3)OC[C@H]2C)c1 ZINC000436958373 981647070 /nfs/dbraw/zinc/64/70/70/981647070.db2.gz AAZNDCDOFCNLDR-SPLOXXLWSA-N -1 3 421.453 3.543 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2C[C@@H](c3ccccc3)C[C@H]2C)c1 ZINC000436964679 981652045 /nfs/dbraw/zinc/65/20/45/981652045.db2.gz MWFAHIGFMVTZLK-PBHICJAKSA-N -1 3 405.454 3.959 20 0 HHADHM CNC(=O)c1cccc(CCNC(=O)c2cc(CCc3ccccc3)ccc2[O-])c1 ZINC000436970665 981656321 /nfs/dbraw/zinc/65/63/21/981656321.db2.gz GNOINUBSDDJYPM-UHFFFAOYSA-N -1 3 402.494 3.510 20 0 HHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCN(C(C)C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000436973518 981658650 /nfs/dbraw/zinc/65/86/50/981658650.db2.gz XZYVZRLQMLZCFA-PZJWPPBQSA-N -1 3 417.456 3.583 20 0 HHADHM CCC(CC)[C@H](CCNC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-])OC 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ZMOXPKRVHJTDRP-AWEZNQCLSA-N -1 3 408.223 4.000 20 0 HHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCCNC(=O)[C@H]1Cc1ccccc1 ZINC000437006512 981681864 /nfs/dbraw/zinc/68/18/64/981681864.db2.gz XZHJPYBUYNCOLG-HSZRJFAPSA-N -1 3 414.505 3.556 20 0 HHADHM CC(C)(C)C(=O)NC1CCC(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)CC1 ZINC000448372474 981730908 /nfs/dbraw/zinc/73/09/08/981730908.db2.gz GXTMQEYNGNZBQK-UHFFFAOYSA-N -1 3 409.490 3.878 20 0 HHADHM CC[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)CCS1 ZINC000437074799 981746590 /nfs/dbraw/zinc/74/65/90/981746590.db2.gz HUCGLLHUYRRJCO-OAHLLOKOSA-N -1 3 408.520 3.594 20 0 HHADHM CC(=O)c1cccc(OCc2cc(C(=O)[N-]c3nc(-c4cccs4)nn3C)no2)c1 ZINC000448402690 981756275 /nfs/dbraw/zinc/75/62/75/981756275.db2.gz SKUCSCMRFANZKV-UHFFFAOYSA-N -1 3 423.454 3.566 20 0 HHADHM CN(c1ccccc1)c1ccc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)cn1 ZINC000437124358 981777018 /nfs/dbraw/zinc/77/70/18/981777018.db2.gz NVAVHXVGCLPGRB-UHFFFAOYSA-N -1 3 402.498 3.513 20 0 HHADHM O=C(c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O)N1C[C@H](O)Cc2ccccc21 ZINC000448462428 981796511 /nfs/dbraw/zinc/79/65/11/981796511.db2.gz UCCFOSSNIUBEAV-QGZVFWFLSA-N -1 3 412.445 3.884 20 0 HHADHM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)o1 ZINC000437463110 982095015 /nfs/dbraw/zinc/09/50/15/982095015.db2.gz QOIDYTNJAMAJDM-YWZLYKJASA-N -1 3 420.513 3.974 20 0 HHADHM C[C@H](NC(=O)c1c[n-]c2ccccc2c1=O)[C@H](OC1CCOCC1)c1ccccc1 ZINC000437527334 982153524 /nfs/dbraw/zinc/15/35/24/982153524.db2.gz KUQXPXYYUBNAGW-HJPURHCSSA-N -1 3 406.482 3.583 20 0 HHADHM CC(C)(CO)[C@H](CNC(=O)NCc1ccc([O-])c(Br)c1)c1ccccc1 ZINC000437608662 982230510 /nfs/dbraw/zinc/23/05/10/982230510.db2.gz UYZFDUVIDPEKPV-MRXNPFEDSA-N -1 3 421.335 3.756 20 0 HHADHM O=S(=O)(CCOc1ccc(F)cc1)[N-]c1cccc(OCc2cccnc2)c1 ZINC000460444154 982236247 /nfs/dbraw/zinc/23/62/47/982236247.db2.gz OPSJYPJOFOXKIG-UHFFFAOYSA-N -1 3 402.447 3.620 20 0 HHADHM COc1ccc(OCCS(=O)(=O)[N-]c2ccc(Br)cc2Cl)cc1 ZINC000460445411 982238270 /nfs/dbraw/zinc/23/82/70/982238270.db2.gz HGDWOPKJNCLFOQ-UHFFFAOYSA-N -1 3 420.712 3.932 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cc(NC(C)=O)ccc2F)c(Cl)c1Cl ZINC000460448025 982241493 /nfs/dbraw/zinc/24/14/93/982241493.db2.gz MHBNOXKAKGAPPX-UHFFFAOYSA-N -1 3 407.250 3.900 20 0 HHADHM CC[C@@H](Cc1ccccc1)N(C)C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000437846484 982403274 /nfs/dbraw/zinc/40/32/74/982403274.db2.gz LHVDIPFFYIFEOV-SFHVURJKSA-N -1 3 419.547 3.942 20 0 HHADHM CC(C)(CC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)Cc1ccc(Cl)cc1 ZINC000437907941 982455483 /nfs/dbraw/zinc/45/54/83/982455483.db2.gz KQEFJAINWROVIQ-UHFFFAOYSA-N -1 3 414.933 3.989 20 0 HHADHM CC[C@@H](SC)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000437949780 982481196 /nfs/dbraw/zinc/48/11/96/982481196.db2.gz CWDOLMFEJSDPJQ-QGZVFWFLSA-N -1 3 408.545 3.885 20 0 HHADHM O=C(NC1(c2noc([C@@H]3CCCO3)n2)CCCCCC1)c1cc(=O)c2ccccc2[n-]1 ZINC000438134802 982605741 /nfs/dbraw/zinc/60/57/41/982605741.db2.gz IBPVBDOYWPKEER-IBGZPJMESA-N -1 3 422.485 3.742 20 0 HHADHM O=S(=O)([N-]Cc1ncc(-c2ccccc2)cn1)c1csc(-c2ccccc2)n1 ZINC000460901070 982637585 /nfs/dbraw/zinc/63/75/85/982637585.db2.gz DFWCKNFZKIFFBT-UHFFFAOYSA-N -1 3 408.508 3.746 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]Cc2ncc(-c3ccccc3)cn2)sc1Br ZINC000460928710 982666607 /nfs/dbraw/zinc/66/66/07/982666607.db2.gz UWTDTTHTQNOWGG-UHFFFAOYSA-N -1 3 424.345 3.755 20 0 HHADHM CCc1ncc(S(=O)(=O)[N-][C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)s1 ZINC000460967165 982697220 /nfs/dbraw/zinc/69/72/20/982697220.db2.gz YECHVQHQDCWXMA-AWEZNQCLSA-N -1 3 415.540 3.997 20 0 HHADHM CN(C(=O)c1cc(=O)c2ccccc2[n-]1)[C@H]1CCOc2ccc(Br)cc21 ZINC000438625865 982946417 /nfs/dbraw/zinc/94/64/17/982946417.db2.gz NIBFCEOUVMUIDQ-KRWDZBQOSA-N -1 3 413.271 3.886 20 0 HHADHM CC[C@H](Cc1ccccc1)N(C)C(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000461242183 982948963 /nfs/dbraw/zinc/94/89/63/982948963.db2.gz KHFMIGNCIIHTPI-HXUWFJFHSA-N -1 3 404.514 3.553 20 0 HHADHM O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000461333215 983023745 /nfs/dbraw/zinc/02/37/45/983023745.db2.gz MNUHUGJQNVUHLN-MGPQQGTHSA-N -1 3 419.374 3.747 20 0 HHADHM COC(=O)c1cc(C(=O)[N-]c2ncc(Cc3ccc(C(F)(F)F)cc3)s2)no1 ZINC000438778331 983065543 /nfs/dbraw/zinc/06/55/43/983065543.db2.gz ZGQUGPOCKCUAAX-UHFFFAOYSA-N -1 3 411.361 3.780 20 0 HHADHM COCCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(Br)c2)cc1 ZINC000438804738 983081801 /nfs/dbraw/zinc/08/18/01/983081801.db2.gz YAPKOTXQJZHRFQ-UHFFFAOYSA-N -1 3 400.294 3.584 20 0 HHADHM CC[C@H](CNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1)OC ZINC000461467029 983129338 /nfs/dbraw/zinc/12/93/38/983129338.db2.gz WVTVBAUYVLOKBC-LJQANCHMSA-N -1 3 418.559 3.876 20 0 HHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1ccc(Br)c(F)c1 ZINC000461509203 983156807 /nfs/dbraw/zinc/15/68/07/983156807.db2.gz RJTNCLAETRNPKP-UHFFFAOYSA-N -1 3 417.238 3.635 20 0 HHADHM CCN(Cc1ccccn1)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000439018171 983213006 /nfs/dbraw/zinc/21/30/06/983213006.db2.gz DZTQMWLFGADICP-UHFFFAOYSA-N -1 3 413.474 3.684 20 0 HHADHM CC(C)n1c2ccccc2nc1[C@@H](C)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000439050393 983228020 /nfs/dbraw/zinc/22/80/20/983228020.db2.gz BCAPVWREGCXQSN-UZLBHIALSA-N -1 3 420.513 3.805 20 0 HHADHM CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000439057368 983230971 /nfs/dbraw/zinc/23/09/71/983230971.db2.gz KKCUMXCNNMVEBR-YLJYHZDGSA-N -1 3 410.514 3.799 20 0 HHADHM O=C(Nc1cccc(-c2noc(C3CC3)n2)c1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000439060925 983232861 /nfs/dbraw/zinc/23/28/61/983232861.db2.gz QWKDYAKYLQBJPV-SFHVURJKSA-N -1 3 418.453 3.563 20 0 HHADHM C[S@@](=O)c1ccc(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cc1 ZINC000439063220 983233795 /nfs/dbraw/zinc/23/37/95/983233795.db2.gz ZVLLXDQRYQXAEY-IIMAJNMQSA-N -1 3 422.506 3.630 20 0 HHADHM CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000461629632 983250902 /nfs/dbraw/zinc/25/09/02/983250902.db2.gz KCYZMUJHNMYBSY-CYBMUJFWSA-N -1 3 421.419 3.809 20 0 HHADHM O=S(=O)([N-]Cc1nc(-c2cccs2)c[nH]1)c1ccc(Br)cc1F ZINC000439195177 983303923 /nfs/dbraw/zinc/30/39/23/983303923.db2.gz BCYYLBNDTMVPMV-UHFFFAOYSA-N -1 3 416.297 3.518 20 0 HHADHM COc1ccc(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)c(OCc2ccccc2)c1 ZINC000439671065 983494130 /nfs/dbraw/zinc/49/41/30/983494130.db2.gz ZJDLWRUXXAOHLX-UHFFFAOYSA-N -1 3 421.379 3.733 20 0 HHADHM CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000439816155 983549137 /nfs/dbraw/zinc/54/91/37/983549137.db2.gz NYSFPMVMMBQFCP-SBUREZEXSA-N -1 3 418.541 3.604 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C[C@@H](C)c2cccc(OC)c2)cc1OC ZINC000439964201 983597320 /nfs/dbraw/zinc/59/73/20/983597320.db2.gz AIXMAIYYYRFQJB-CQSZACIVSA-N -1 3 406.504 3.598 20 0 HHADHM CC(=O)N(Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)cc1)C(C)C ZINC000440265604 983702429 /nfs/dbraw/zinc/70/24/29/983702429.db2.gz BSJRSHKRHDIARQ-UHFFFAOYSA-N -1 3 416.543 3.958 20 0 HHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1C[C@]12CCc1ccccc12 ZINC000440642976 983835192 /nfs/dbraw/zinc/83/51/92/983835192.db2.gz RHDPIJFVYPPCLQ-KXBFYZLASA-N -1 3 424.444 3.920 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N3CCCC[C@H]3[C@H](C)CC)c2)n1 ZINC000441105075 984070414 /nfs/dbraw/zinc/07/04/14/984070414.db2.gz PVQLUGXDUCBGBS-BEFAXECRSA-N -1 3 410.518 3.777 20 0 HHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CCCC[C@H](SC)C3)nc(=O)c2c1C ZINC000441110974 984073718 /nfs/dbraw/zinc/07/37/18/984073718.db2.gz IBBIIOIZEJPQDY-STQMWFEESA-N -1 3 409.577 3.748 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N(C)[C@H]3CCCC[C@H]3CC)c2)n1 ZINC000441783521 984450183 /nfs/dbraw/zinc/45/01/83/984450183.db2.gz CGOQCDWUPZOLAF-BEFAXECRSA-N -1 3 410.518 3.777 20 0 HHADHM COC(=O)c1sc2[n-]c(CSc3ccc(C(C)=O)cc3OC)nc(=O)c2c1C ZINC000441936812 984551547 /nfs/dbraw/zinc/55/15/47/984551547.db2.gz YUFBDPCSTSEZTG-UHFFFAOYSA-N -1 3 418.496 3.583 20 0 HHADHM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(F)c3F)cc2C[C@H]1C ZINC000442248161 984769882 /nfs/dbraw/zinc/76/98/82/984769882.db2.gz GHOKALYVYXNXSZ-SECBINFHSA-N -1 3 400.834 3.717 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cn4c(n3)CCCC4)cc2)cc1 ZINC000442424926 984926436 /nfs/dbraw/zinc/92/64/36/984926436.db2.gz COPQKGLJOYERGO-UHFFFAOYSA-N -1 3 410.499 3.581 20 0 HHADHM CN(C)Cc1cccc(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccccc2)c1 ZINC000461986779 984970358 /nfs/dbraw/zinc/97/03/58/984970358.db2.gz UPOBKGSMIXNYMB-UHFFFAOYSA-N -1 3 409.511 3.801 20 0 HHADHM CCC[C@@H]1C[C@H]1C(=O)NCc1cccc([N-]S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000462068077 985040695 /nfs/dbraw/zinc/04/06/95/985040695.db2.gz PXWHVIMQLGUPCQ-OXQOHEQNSA-N -1 3 402.516 3.548 20 0 HHADHM Cc1cc(N2CCCC[C@H]2C)ccc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)C)cc1 ZINC000442613637 985091850 /nfs/dbraw/zinc/09/18/50/985091850.db2.gz DIVRDCJZEIOSLJ-QGZVFWFLSA-N -1 3 415.559 3.876 20 0 HHADHM O=S(=O)([N-]CCCc1cccc(C(F)(F)F)c1)c1ccc(Br)cn1 ZINC000462158249 985132575 /nfs/dbraw/zinc/13/25/75/985132575.db2.gz VKBXWARVOGHQSN-UHFFFAOYSA-N -1 3 423.254 3.774 20 0 HHADHM O=S(=O)([N-][C@@H]1CCC[C@H]1OCc1ccccc1)c1cnccc1C(F)(F)F ZINC000442737916 985195257 /nfs/dbraw/zinc/19/52/57/985195257.db2.gz BFPPZAGSOHSIFG-HZPDHXFCSA-N -1 3 400.422 3.517 20 0 HHADHM Cc1ccc2[nH]c3c(c2c1)C[C@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)CC3 ZINC000442740647 985197331 /nfs/dbraw/zinc/19/73/31/985197331.db2.gz VRKOKZITBCQYLW-GFCCVEGCSA-N -1 3 409.433 3.726 20 0 HHADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@H](C)c1ccccc1C(F)(F)F ZINC000442751004 985202142 /nfs/dbraw/zinc/20/21/42/985202142.db2.gz BLFRIALLAFXTQL-SNVBAGLBSA-N -1 3 407.435 3.901 20 0 HHADHM O=S(=O)([N-][C@H]1CCOc2c(F)cccc21)c1cc(F)ccc1Br ZINC000442783172 985215172 /nfs/dbraw/zinc/21/51/72/985215172.db2.gz SPWDXBRBXDZXGB-ZDUSSCGKSA-N -1 3 404.232 3.529 20 0 HHADHM C[C@@H]1CCCN(c2cc(C(=O)NCc3ccc([O-])c(Br)c3)ccn2)C1 ZINC000462247129 985229190 /nfs/dbraw/zinc/22/91/90/985229190.db2.gz TVFUYRIBUBFPSK-CYBMUJFWSA-N -1 3 404.308 3.716 20 0 HHADHM COCCOc1ccccc1S(=O)(=O)[N-]c1cc(F)cc(F)c1Br ZINC000442832419 985234385 /nfs/dbraw/zinc/23/43/85/985234385.db2.gz DJINPFWEGLLRJM-UHFFFAOYSA-N -1 3 422.247 3.553 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NCc2ccc(C(F)F)cc2)cc1OC ZINC000462269787 985259580 /nfs/dbraw/zinc/25/95/80/985259580.db2.gz KPKMCAPTTRNSET-UHFFFAOYSA-N -1 3 413.446 3.716 20 0 HHADHM CCN(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)C1CC1 ZINC000442897060 985267324 /nfs/dbraw/zinc/26/73/24/985267324.db2.gz HGELPNAHQYTLIP-UHFFFAOYSA-N -1 3 407.923 3.564 20 0 HHADHM O=S(=O)(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000442907332 985272901 /nfs/dbraw/zinc/27/29/01/985272901.db2.gz ZISHZZYODGAEOB-INIZCTEOSA-N -1 3 424.313 3.699 20 0 HHADHM O=S(=O)(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000442907332 985272912 /nfs/dbraw/zinc/27/29/12/985272912.db2.gz ZISHZZYODGAEOB-INIZCTEOSA-N -1 3 424.313 3.699 20 0 HHADHM COC[C@@H](C)[C@@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000462292420 985279541 /nfs/dbraw/zinc/27/95/41/985279541.db2.gz ANNGWOTWFMHGCZ-HZPDHXFCSA-N -1 3 420.531 3.662 20 0 HHADHM Cc1ccc(C)c([C@@H](C)N(C)S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC000442936963 985290169 /nfs/dbraw/zinc/29/01/69/985290169.db2.gz ANUSCELGKMKGNW-CYBMUJFWSA-N -1 3 405.911 3.519 20 0 HHADHM Cc1ccc(C)c([C@@H](C)N(C)S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC000442936963 985290177 /nfs/dbraw/zinc/29/01/77/985290177.db2.gz ANUSCELGKMKGNW-CYBMUJFWSA-N -1 3 405.911 3.519 20 0 HHADHM O=C1[C@@H]([N-]S(=O)(=O)Cc2ccccc2Cl)CCCN1c1ccccc1Cl ZINC000462316264 985303342 /nfs/dbraw/zinc/30/33/42/985303342.db2.gz KWZWEAUCMWDZTG-INIZCTEOSA-N -1 3 413.326 3.608 20 0 HHADHM COc1ccccc1[C@]1(C)C[C@H]1[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000462316676 985304098 /nfs/dbraw/zinc/30/40/98/985304098.db2.gz MNHTZBRFWJUOJI-SJORKVTESA-N -1 3 403.397 3.862 20 0 HHADHM COc1ccccc1[C@@]1(C)C[C@@H]1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000462324471 985313825 /nfs/dbraw/zinc/31/38/25/985313825.db2.gz CQKGNDMXZGVYFX-SWLSCSKDSA-N -1 3 402.335 3.528 20 0 HHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCOc2c(Cl)cccc21 ZINC000443020544 985339505 /nfs/dbraw/zinc/33/95/05/985339505.db2.gz BZDZPXPHMIHOPB-CQSZACIVSA-N -1 3 416.282 3.582 20 0 HHADHM CCc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3cc(C)ccc3OC)n2)cc1 ZINC000443028547 985344055 /nfs/dbraw/zinc/34/40/55/985344055.db2.gz VIMBEIHXRAPHAO-CQSZACIVSA-N -1 3 401.488 3.656 20 0 HHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H](C)c1nc(-c2ccccc2)cs1 ZINC000443070967 985360494 /nfs/dbraw/zinc/36/04/94/985360494.db2.gz PPMBVDPSHXOLNK-GFCCVEGCSA-N -1 3 420.487 3.775 20 0 HHADHM CC(C)[C@H](C)N1Cc2cccc([N-]S(=O)(=O)c3cccc(C(=O)N(C)C)c3)c2C1 ZINC000462377233 985361718 /nfs/dbraw/zinc/36/17/18/985361718.db2.gz ADQZPGWKLNJFAD-INIZCTEOSA-N -1 3 415.559 3.549 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H]1CCOc2ccc(F)cc21 ZINC000443072076 985361777 /nfs/dbraw/zinc/36/17/77/985361777.db2.gz OOWWCRVWIWKJJU-CQSZACIVSA-N -1 3 421.471 3.629 20 0 HHADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000443087744 985368643 /nfs/dbraw/zinc/36/86/43/985368643.db2.gz LBGXKFWIWMHSPT-MRXNPFEDSA-N -1 3 422.915 3.651 20 0 HHADHM COC(C)(C)C[C@@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000462396810 985376046 /nfs/dbraw/zinc/37/60/46/985376046.db2.gz YIPJHDXFCJCSLG-SECBINFHSA-N -1 3 418.275 3.950 20 0 HHADHM COc1cc(C(=O)N2CCC[C@@H](c3nnc(-c4ccccc4)[nH]3)C2)cc(Cl)c1[O-] ZINC000443111895 985381779 /nfs/dbraw/zinc/38/17/79/985381779.db2.gz FMNHFMVDEVBEEW-CQSZACIVSA-N -1 3 412.877 3.859 20 0 HHADHM CO[C@H](C[N-]S(=O)(=O)c1cc(Br)ccc1F)c1ccc(Cl)cc1 ZINC000462406583 985382584 /nfs/dbraw/zinc/38/25/84/985382584.db2.gz AJQDEEYVFRUIPQ-CQSZACIVSA-N -1 3 422.703 3.908 20 0 HHADHM CCOC(=O)[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1 ZINC000462410554 985385182 /nfs/dbraw/zinc/38/51/82/985385182.db2.gz OFLLXTQBWUHRHE-AWEZNQCLSA-N -1 3 402.299 3.619 20 0 HHADHM COc1cccc(F)c1[C@@H](C)[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000462422553 985394894 /nfs/dbraw/zinc/39/48/94/985394894.db2.gz ZQOMTXRGYWQBQF-MRVPVSSYSA-N -1 3 424.238 3.915 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H]1C[C@H]1c1c(F)cccc1F ZINC000443131124 985395701 /nfs/dbraw/zinc/39/57/01/985395701.db2.gz QKZZMQOTCKSJLK-RISCZKNCSA-N -1 3 423.462 3.801 20 0 HHADHM O=S(=O)([N-][C@@H](Cc1ccccc1)[C@@H](O)C(F)F)c1cc(Cl)cc(Cl)c1 ZINC000443222644 985449938 /nfs/dbraw/zinc/44/99/38/985449938.db2.gz DYAOPBORHJTBIO-LSDHHAIUSA-N -1 3 410.269 3.509 20 0 HHADHM COC(=O)c1nscc1S(=O)(=O)[N-]Cc1sc2ccc(Cl)cc2c1C ZINC000443224279 985450779 /nfs/dbraw/zinc/45/07/79/985450779.db2.gz LTRVKLKMMDTVGU-UHFFFAOYSA-N -1 3 416.933 3.585 20 0 HHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H](CO)Cc1c[nH]c2ccccc12 ZINC000443227932 985452850 /nfs/dbraw/zinc/45/28/50/985452850.db2.gz XWNXJSKUFLSGLN-HNNXBMFYSA-N -1 3 418.902 3.758 20 0 HHADHM O=S(=O)([N-][C@H](CCCO)c1ccccc1)c1cc(Br)ccc1Cl ZINC000443235977 985456781 /nfs/dbraw/zinc/45/67/81/985456781.db2.gz LJBQLCPCWOPRMZ-OAHLLOKOSA-N -1 3 418.740 3.895 20 0 HHADHM CC1(C)[C@H]([N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)[C@H]2CCCO[C@@H]21 ZINC000462506233 985457995 /nfs/dbraw/zinc/45/79/95/985457995.db2.gz WLOQLGLQXUANHI-BMFZPTHFSA-N -1 3 412.964 3.945 20 0 HHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H](CO)c1c(F)cccc1F ZINC000443268584 985463703 /nfs/dbraw/zinc/46/37/03/985463703.db2.gz KVYYMGKGLRGUSH-CQSZACIVSA-N -1 3 401.818 3.685 20 0 HHADHM C[C@@H](Cc1cccc(Br)c1)[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000462514628 985465274 /nfs/dbraw/zinc/46/52/74/985465274.db2.gz ZZLGFOMIFNHVKS-VIFPVBQESA-N -1 3 408.239 3.776 20 0 HHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1cccc(N2CCCC2)c1 ZINC000443355514 985518183 /nfs/dbraw/zinc/51/81/83/985518183.db2.gz HJLHJUKITXLOGD-AWEZNQCLSA-N -1 3 422.934 3.766 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](c1ccccc1F)C1CCCC1 ZINC000443357422 985519980 /nfs/dbraw/zinc/51/99/80/985519980.db2.gz FXXZGWBDNIVWRC-IBGZPJMESA-N -1 3 409.454 3.961 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](c1ccccc1F)C1CCCC1 ZINC000443357424 985520278 /nfs/dbraw/zinc/52/02/78/985520278.db2.gz FXXZGWBDNIVWRC-LJQANCHMSA-N -1 3 409.454 3.961 20 0 HHADHM CC(C)(C)OC(=O)c1ccc(C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)cc1 ZINC000462593863 985539164 /nfs/dbraw/zinc/53/91/64/985539164.db2.gz OVYUWLSWXGGGAK-UHFFFAOYSA-N -1 3 401.406 3.538 20 0 HHADHM CC1(C)CN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)CC(C)(C)O1 ZINC000443389028 985545622 /nfs/dbraw/zinc/54/56/22/985545622.db2.gz UREORZHDUOOHCI-UHFFFAOYSA-N -1 3 420.506 3.656 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC3(CCCC3)OC(C)(C)C2)c1 ZINC000443394091 985548434 /nfs/dbraw/zinc/54/84/34/985548434.db2.gz PDIPBVMWABMFHV-UHFFFAOYSA-N -1 3 413.474 3.505 20 0 HHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H]2O[C@H](C)C[C@@H]2C)cc1 ZINC000443420359 985577672 /nfs/dbraw/zinc/57/76/72/985577672.db2.gz YNDFAAOUSMZBQM-RZQQEMMASA-N -1 3 402.516 3.856 20 0 HHADHM CO[C@@H](C[N-]S(=O)(=O)c1cc(Br)ccc1F)c1cccc(Cl)c1 ZINC000462681456 985619997 /nfs/dbraw/zinc/61/99/97/985619997.db2.gz RGXRBWXWTKGKCV-AWEZNQCLSA-N -1 3 422.703 3.908 20 0 HHADHM NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)c1 ZINC000443459172 985631965 /nfs/dbraw/zinc/63/19/65/985631965.db2.gz YMPBCZZINDLBNX-UHFFFAOYSA-N -1 3 413.204 3.912 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@H](C)Oc2ccccc2F)s1 ZINC000462707416 985651245 /nfs/dbraw/zinc/65/12/45/985651245.db2.gz YPGYMEFNSJZUCI-SECBINFHSA-N -1 3 408.314 3.704 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](c1cccc(F)c1)C1CCCC1 ZINC000443480532 985655647 /nfs/dbraw/zinc/65/56/47/985655647.db2.gz CDXKUUORTQDOFE-LJQANCHMSA-N -1 3 409.454 3.961 20 0 HHADHM Cc1nn(-c2ccccc2)c(C)c1[C@H](NC(=O)NCc1ncccc1[O-])C(F)(F)F ZINC000468007927 985658981 /nfs/dbraw/zinc/65/89/81/985658981.db2.gz ZZMYNZLCHIZBOL-SFHVURJKSA-N -1 3 419.407 3.693 20 0 HHADHM COc1cccc(O[C@@H](C)C[N-]S(=O)(=O)c2sc(C)cc2Br)c1 ZINC000462714066 985659358 /nfs/dbraw/zinc/65/93/58/985659358.db2.gz JUEMLGNGKQNROT-JTQLQIEISA-N -1 3 420.350 3.573 20 0 HHADHM COC(=O)[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)c1ccccc1 ZINC000462721814 985668644 /nfs/dbraw/zinc/66/86/44/985668644.db2.gz NAUWTZMYWQROMC-ZDUSSCGKSA-N -1 3 421.824 3.594 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H]1CCc2c1cccc2OC ZINC000443496627 985669884 /nfs/dbraw/zinc/66/98/84/985669884.db2.gz BXVAYZAYBOQOLP-OAHLLOKOSA-N -1 3 417.508 3.662 20 0 HHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H]3CCCCN3Cc3ccccc3)cc2)n1 ZINC000468046693 985705285 /nfs/dbraw/zinc/70/52/85/985705285.db2.gz FJGQCGFCSRBITN-OAQYLSRUSA-N -1 3 402.498 3.739 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C1CC(c2ccc(F)c(Cl)c2)C1 ZINC000462793045 985727203 /nfs/dbraw/zinc/72/72/03/985727203.db2.gz PHIMGUUCQMAFMS-UHFFFAOYSA-N -1 3 415.845 3.629 20 0 HHADHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)[C@@H]1CCN1Cc1ccccc1 ZINC000468237191 985935220 /nfs/dbraw/zinc/93/52/20/985935220.db2.gz DKYRWFXBFOIBPI-QFIPXVFZSA-N -1 3 421.522 3.700 20 0 HHADHM CC[C@H](CS(=O)(=O)c1ccccc1)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000443734806 985948056 /nfs/dbraw/zinc/94/80/56/985948056.db2.gz TWRHDQXSJUIZLN-GFCCVEGCSA-N -1 3 422.355 3.524 20 0 HHADHM CCc1cc(=O)[n-]c(CN2CCc3cc(OC)c(OC)cc3[C@H]2c2ccccc2)n1 ZINC000468276096 985976599 /nfs/dbraw/zinc/97/65/99/985976599.db2.gz GSEOIGIWJFGJIJ-XMMPIXPASA-N -1 3 405.498 3.910 20 0 HHADHM CCc1cc(=O)[n-]c(CN2CCc3cc(OC)c(OC)cc3[C@@H]2c2cccs2)n1 ZINC000468278471 985978551 /nfs/dbraw/zinc/97/85/51/985978551.db2.gz SVIRJZLAQVRRSN-JOCHJYFZSA-N -1 3 411.527 3.971 20 0 HHADHM O=C(c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)N1CCC[C@@H]1c1cccnc1 ZINC000443928978 986136234 /nfs/dbraw/zinc/13/62/34/986136234.db2.gz QMBJEDBEGKGYHB-OAHLLOKOSA-N -1 3 403.360 3.799 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2ccc3c(n2)CCCC3)s1 ZINC000443943144 986151459 /nfs/dbraw/zinc/15/14/59/986151459.db2.gz QYEUQRMIWXDYAO-UHFFFAOYSA-N -1 3 401.351 3.571 20 0 HHADHM C[C@H](C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)N1CCCCCC1 ZINC000468505875 986207103 /nfs/dbraw/zinc/20/71/03/986207103.db2.gz PPUWBJDFPSJYEB-MRXNPFEDSA-N -1 3 419.522 3.830 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CN3CCSCC3)c2C)c(C)c1F ZINC000444032421 986228190 /nfs/dbraw/zinc/22/81/90/986228190.db2.gz KROWIKPRAXQXHG-UHFFFAOYSA-N -1 3 424.563 3.801 20 0 HHADHM CC(C)Oc1ccc(S(=O)(=O)[N-]c2cccc(CN3CCSCC3)c2)cc1 ZINC000444040269 986237279 /nfs/dbraw/zinc/23/72/79/986237279.db2.gz WRZKPKOZOHENPA-UHFFFAOYSA-N -1 3 406.573 3.823 20 0 HHADHM Cc1c(CN2CCSCC2)cccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000444043909 986241075 /nfs/dbraw/zinc/24/10/75/986241075.db2.gz PMVVMKLIBHJBJP-UHFFFAOYSA-N -1 3 418.584 3.670 20 0 HHADHM C[C@H]([N-]S(=O)(=O)c1cnc(-c2ccccc2)nc1)c1ncc(-c2ccccc2)o1 ZINC000444066468 986268835 /nfs/dbraw/zinc/26/88/35/986268835.db2.gz XHANUVNMGYTVSR-HNNXBMFYSA-N -1 3 406.467 3.838 20 0 HHADHM C[C@@H]1CN(Cc2csc(NC(=O)CCCc3ccc([O-])c(F)c3)n2)C[C@H](C)O1 ZINC000468643173 986357739 /nfs/dbraw/zinc/35/77/39/986357739.db2.gz OIFSHUVBNHYHND-OKILXGFUSA-N -1 3 407.511 3.558 20 0 HHADHM Cc1csc(C(=O)[N-]c2nnc(CC(C)C)s2)c1I ZINC000468644648 986358301 /nfs/dbraw/zinc/35/83/01/986358301.db2.gz DUORRNJMFCSKDJ-UHFFFAOYSA-N -1 3 407.302 3.963 20 0 HHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CCOC4(CCCCC4)C3)nc(=O)c2c1C ZINC000444214047 986397805 /nfs/dbraw/zinc/39/78/05/986397805.db2.gz QCZBBKCYPNCVAU-CQSZACIVSA-N -1 3 419.547 3.566 20 0 HHADHM COC[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F)c1ccc(F)c(F)c1 ZINC000444218159 986401234 /nfs/dbraw/zinc/40/12/34/986401234.db2.gz UWYXZGOSUJQYQQ-CQSZACIVSA-N -1 3 413.339 3.789 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)N3CCC[C@@H](CC(=O)OC(C)C)C3)cc2)cc(=O)[n-]1 ZINC000463467333 986445640 /nfs/dbraw/zinc/44/56/40/986445640.db2.gz VIHMXOOPGLPWHS-INIZCTEOSA-N -1 3 412.490 3.743 20 0 HHADHM CC(C)(CNC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccc(C(F)(F)F)cc1 ZINC000468746714 986460350 /nfs/dbraw/zinc/46/03/50/986460350.db2.gz AGQYKHDUHQRJLY-UHFFFAOYSA-N -1 3 409.334 3.619 20 0 HHADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CCS[C@H]2CCCC[C@@H]21 ZINC000444312655 986494919 /nfs/dbraw/zinc/49/49/19/986494919.db2.gz TYTIMBJLPOKIRF-HOTGVXAUSA-N -1 3 407.333 3.791 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H]3CC[C@@H](C)C3)ccc2C)cc1 ZINC000444322090 986503038 /nfs/dbraw/zinc/50/30/38/986503038.db2.gz WIPCKCBMBXMLHZ-KDOFPFPSSA-N -1 3 402.516 3.723 20 0 HHADHM COCC[C@H]1CCCCN(C(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)C1 ZINC000444367029 986543985 /nfs/dbraw/zinc/54/39/85/986543985.db2.gz GSOYWDRBMAXTAZ-CYBMUJFWSA-N -1 3 412.408 3.706 20 0 HHADHM COCC[C@@H]1CCCCN(C(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)C1 ZINC000444367031 986544246 /nfs/dbraw/zinc/54/42/46/986544246.db2.gz GSOYWDRBMAXTAZ-ZDUSSCGKSA-N -1 3 412.408 3.706 20 0 HHADHM Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000468918151 986625448 /nfs/dbraw/zinc/62/54/48/986625448.db2.gz IKJWFNOKLQHKLM-OAHLLOKOSA-N -1 3 415.964 3.901 20 0 HHADHM Cc1n[nH]cc1-c1nnc([N-]C(=O)c2cc3cc(C)cc(Br)c3o2)s1 ZINC000444465283 986648393 /nfs/dbraw/zinc/64/83/93/986648393.db2.gz PPQMVCBLDKHZPP-UHFFFAOYSA-N -1 3 418.276 4.306 20 0 HHADHM Cc1n[nH]cc1-c1nnc([N-]C(=O)c2cnc(Cc3ccc(F)cc3)s2)s1 ZINC000444469302 986651525 /nfs/dbraw/zinc/65/15/25/986651525.db2.gz WDIRUOQDDAJBPN-UHFFFAOYSA-N -1 3 400.464 3.675 20 0 HHADHM O=S(=O)([N-]C[C@H]1CCCN(Cc2cccs2)C1)c1c(F)cccc1Cl ZINC000463694081 986677143 /nfs/dbraw/zinc/67/71/43/986677143.db2.gz AGJFYSXIIBJXRK-CYBMUJFWSA-N -1 3 402.944 3.731 20 0 HHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cc(-c2ccccc2C(F)(F)F)on1 ZINC000463722700 986707921 /nfs/dbraw/zinc/70/79/21/986707921.db2.gz PTNZDFFFBNQEAK-UHFFFAOYSA-N -1 3 400.320 3.793 20 0 HHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc(-c2ccccc2C(F)(F)F)on1 ZINC000463722700 986707926 /nfs/dbraw/zinc/70/79/26/986707926.db2.gz PTNZDFFFBNQEAK-UHFFFAOYSA-N -1 3 400.320 3.793 20 0 HHADHM CC(C)N(CC1CCC1)C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000444524408 986712576 /nfs/dbraw/zinc/71/25/76/986712576.db2.gz DVTZZTBABMHPFD-UHFFFAOYSA-N -1 3 407.363 3.699 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3cncc(F)c3)ccc2C)cc1 ZINC000469011794 986718672 /nfs/dbraw/zinc/71/86/72/986718672.db2.gz NWWPEMXVJMAMFO-UHFFFAOYSA-N 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CCOC(=O)c1nnc(C2CCN(C(=O)c3oc4c(c3C)c(C)ccc4C)CC2)[n-]1 ZINC000444660098 986842230 /nfs/dbraw/zinc/84/22/30/986842230.db2.gz RGJCASKPIJUUHA-UHFFFAOYSA-N -1 3 410.474 3.673 20 0 HHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CC[C@H](CC(F)(F)F)C3)nc(=O)c2c1C ZINC000444700806 986875177 /nfs/dbraw/zinc/87/51/77/986875177.db2.gz PEVBDDUQWQWUIG-GHMZBOCLSA-N -1 3 417.453 3.805 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)NC1CCN(C(=O)CCc2ccccc2)CC1 ZINC000469166893 986891337 /nfs/dbraw/zinc/89/13/37/986891337.db2.gz ZELZVTMYISCCLO-UHFFFAOYSA-N -1 3 412.505 3.594 20 0 HHADHM CCOC(=O)c1nc(C2CCN(C(=O)CCc3ccc(-c4ccccc4)o3)CC2)n[n-]1 ZINC000444761855 986923567 /nfs/dbraw/zinc/92/35/67/986923567.db2.gz PNEHMJZDYKYOBW-UHFFFAOYSA-N -1 3 422.485 3.580 20 0 HHADHM CCOC(=O)c1nnc(C2CCN(C(=O)CCc3ccc(-c4ccccc4)o3)CC2)[n-]1 ZINC000444761855 986923575 /nfs/dbraw/zinc/92/35/75/986923575.db2.gz PNEHMJZDYKYOBW-UHFFFAOYSA-N -1 3 422.485 3.580 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)NC[C@@H](C[C@H](C)O)c3ccccc3)cc2)cc(=O)[n-]1 ZINC000469232493 986953459 /nfs/dbraw/zinc/95/34/59/986953459.db2.gz RBFINLAJKJBRNU-HNAYVOBHSA-N -1 3 406.486 3.834 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)NC[C@@H](C[C@@H](C)O)c3ccccc3)cc2)cc(=O)[n-]1 ZINC000469232464 986953486 /nfs/dbraw/zinc/95/34/86/986953486.db2.gz RBFINLAJKJBRNU-DNVCBOLYSA-N -1 3 406.486 3.834 20 0 HHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](CC(F)(F)F)c2ccccc2)cc1F ZINC000444880231 987032447 /nfs/dbraw/zinc/03/24/47/987032447.db2.gz RPGJLMBLOGBAHM-OAHLLOKOSA-N -1 3 405.369 3.584 20 0 HHADHM CCOC(=O)c1nc(C2CCN(C(=O)Nc3ccc(OC(C)(C)C)cc3)CC2)n[n-]1 ZINC000444907398 987055575 /nfs/dbraw/zinc/05/55/75/987055575.db2.gz WUCHUJAERQRJHB-UHFFFAOYSA-N -1 3 415.494 3.570 20 0 HHADHM CCOC(=O)c1nnc(C2CCN(C(=O)Nc3ccc(OC(C)(C)C)cc3)CC2)[n-]1 ZINC000444907398 987055585 /nfs/dbraw/zinc/05/55/85/987055585.db2.gz WUCHUJAERQRJHB-UHFFFAOYSA-N -1 3 415.494 3.570 20 0 HHADHM CN(C)C(=O)COc1ccc(NC(=O)CCCc2ccc([O-])c(F)c2)cc1Cl ZINC000469372558 987069511 /nfs/dbraw/zinc/06/95/11/987069511.db2.gz BXLDQHIBNPDVTI-UHFFFAOYSA-N -1 3 408.857 3.613 20 0 HHADHM CC[C@H]1Oc2cc([C@@H](C)NC(=O)CCCc3ccc([O-])c(F)c3)ccc2NC1=O ZINC000469425946 987114102 /nfs/dbraw/zinc/11/41/02/987114102.db2.gz IHGLFXQRJAKOBY-BFUOFWGJSA-N -1 3 400.450 3.841 20 0 HHADHM CCSc1cccc(NC(=O)C2([N-]S(=O)(=O)c3c(C)noc3C)CCCC2)c1 ZINC000469514854 987191423 /nfs/dbraw/zinc/19/14/23/987191423.db2.gz CWVOPRZCDFNBOV-UHFFFAOYSA-N -1 3 423.560 3.633 20 0 HHADHM Cc1nc(C)c(CCC(=O)N(C)C[C@@H](C)Oc2ccc(Cl)c(Cl)c2)c(=O)[n-]1 ZINC000469528376 987203523 /nfs/dbraw/zinc/20/35/23/987203523.db2.gz CMMNDNPIXZOMDU-LLVKDONJSA-N -1 3 412.317 3.964 20 0 HHADHM CN(CCC(F)(F)F)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000469573994 987241219 /nfs/dbraw/zinc/24/12/19/987241219.db2.gz DPYDJPNDNQFIOQ-UHFFFAOYSA-N -1 3 411.605 3.968 20 0 HHADHM COc1cccc(-c2nc(CC(=O)Nc3cc(C)c(Cl)cc3OC)no2)c1[O-] ZINC000445318304 987374731 /nfs/dbraw/zinc/37/47/31/987374731.db2.gz IYIDUQLROSCFCX-UHFFFAOYSA-N -1 3 403.822 3.602 20 0 HHADHM CO[C@@H](CNC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O)C(C)(C)C ZINC000469722516 987374795 /nfs/dbraw/zinc/37/47/95/987374795.db2.gz BTTHBQLARUWCNO-ZDUSSCGKSA-N -1 3 415.715 3.735 20 0 HHADHM COc1cc(-c2nc(CC(=O)Nc3cccc4ccccc43)no2)cc(OC)c1[O-] ZINC000445349508 987405587 /nfs/dbraw/zinc/40/55/87/987405587.db2.gz NWGPPCHJUHCXPM-UHFFFAOYSA-N -1 3 405.410 3.794 20 0 HHADHM CCCCCn1c2nnc(S[C@H](C)c3nc(C)cc(=O)[n-]3)n2c2ccccc2c1=O ZINC000469805458 987445660 /nfs/dbraw/zinc/44/56/60/987445660.db2.gz BIQXAOZGGFETQJ-CQSZACIVSA-N -1 3 424.530 3.892 20 0 HHADHM CC(=O)Nc1ccc(NC(=O)Cc2noc(-c3cc4ccccc4cc3[O-])n2)cc1 ZINC000445416139 987480969 /nfs/dbraw/zinc/48/09/69/987480969.db2.gz FDFGLKXASDLHRY-UHFFFAOYSA-N -1 3 402.410 3.735 20 0 HHADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nc(-c2c[nH]c3ccccc23)no1 ZINC000445451110 987520391 /nfs/dbraw/zinc/52/03/91/987520391.db2.gz APCKZDFBFQDJSI-NSHDSACASA-N -1 3 402.863 3.911 20 0 HHADHM O=C(NCc1ncccc1[O-])Nc1ccc(OC(F)(F)F)cc1Br ZINC000469918615 987546809 /nfs/dbraw/zinc/54/68/09/987546809.db2.gz PCZOAPJXZDDNFC-UHFFFAOYSA-N -1 3 406.158 3.770 20 0 HHADHM O=C(NCc1ncccc1[O-])Nc1nc(Cc2ccccc2Br)cs1 ZINC000469922896 987551198 /nfs/dbraw/zinc/55/11/98/987551198.db2.gz HIKIEWDOYPXHEJ-UHFFFAOYSA-N -1 3 419.304 3.919 20 0 HHADHM Nc1nc(C2CC2)ncc1-c1noc(-c2cc(OCc3ccccc3)ccc2[O-])n1 ZINC000445596160 987663684 /nfs/dbraw/zinc/66/36/84/987663684.db2.gz KIMDFYWDKVDHTK-UHFFFAOYSA-N -1 3 401.426 3.938 20 0 HHADHM Cc1cc(-c2noc(-c3cc(S(=O)(=O)[N-]c4ccccc4F)c[nH]3)n2)c(C)o1 ZINC000445833635 987904160 /nfs/dbraw/zinc/90/41/60/987904160.db2.gz MNMRMBMFPMCWAP-UHFFFAOYSA-N -1 3 402.407 3.881 20 0 HHADHM CC[C@H](Cc1ccccc1Br)NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000470163758 988076433 /nfs/dbraw/zinc/07/64/33/988076433.db2.gz SYUZHRFNODMTKA-OAHLLOKOSA-N -1 3 406.324 3.632 20 0 HHADHM Cc1ccc(C(F)(F)F)cc1NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000470229863 988163358 /nfs/dbraw/zinc/16/33/58/988163358.db2.gz HASOSACUQDURLZ-UHFFFAOYSA-N -1 3 402.376 3.649 20 0 HHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2C)cc1Br ZINC000470450774 988430198 /nfs/dbraw/zinc/43/01/98/988430198.db2.gz DVGVSZWBYSJSEV-UHFFFAOYSA-N -1 3 400.294 3.966 20 0 HHADHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(Cc2nnc3n2CCCCC3)cc1 ZINC000464420594 988591728 /nfs/dbraw/zinc/59/17/28/988591728.db2.gz JCYUZDMKIJTBSL-UHFFFAOYSA-N -1 3 414.506 3.844 20 0 HHADHM COC(=O)C[C@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)c1ccc(SC)cc1 ZINC000464429813 988601108 /nfs/dbraw/zinc/60/11/08/988601108.db2.gz PXBFBASAXVQHCV-HNNXBMFYSA-N -1 3 417.911 3.784 20 0 HHADHM CC[S@](=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2oc3ccc(Cl)cc3c2C)C1 ZINC000470600512 988617474 /nfs/dbraw/zinc/61/74/74/988617474.db2.gz IEGIBABEDVFATI-ICBMNTSNSA-N -1 3 403.953 3.753 20 0 HHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]Cc1cccc(NC(=O)N(C)C)c1 ZINC000470602315 988620741 /nfs/dbraw/zinc/62/07/41/988620741.db2.gz ORKYBMJDGMCNTL-UHFFFAOYSA-N -1 3 421.906 3.967 20 0 HHADHM C[C@H](CN(C)C(=O)c1cnc2c(cnn2C)c1[O-])Oc1ccc(Cl)c(Cl)c1 ZINC000470724061 988751584 /nfs/dbraw/zinc/75/15/84/988751584.db2.gz QYOIVKFPGNDZPO-SNVBAGLBSA-N -1 3 409.273 3.520 20 0 HHADHM CC[C@]1(C)CCCN(C(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000464579664 988757398 /nfs/dbraw/zinc/75/73/98/988757398.db2.gz COCXQZMXFYQKJK-QGZVFWFLSA-N -1 3 407.363 3.701 20 0 HHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3c(C)cc(C)nc3OC3CCC3)cc2)n1 ZINC000470832009 988905724 /nfs/dbraw/zinc/90/57/24/988905724.db2.gz PJFFVUFSGDYCAZ-UHFFFAOYSA-N -1 3 404.470 3.941 20 0 HHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CC[C@@H](C(F)(F)F)[C@@H]3C)nc(=O)c2c1C ZINC000470932804 989001931 /nfs/dbraw/zinc/00/19/31/989001931.db2.gz QRSSNEZBRMGMAJ-GARJFASQSA-N -1 3 417.453 3.803 20 0 HHADHM CC(C)Cc1nnc([N-]C(=O)c2cc(F)c(F)cc2I)s1 ZINC000471089047 989184539 /nfs/dbraw/zinc/18/45/39/989184539.db2.gz NYOUFEXUKGCGOL-UHFFFAOYSA-N -1 3 423.226 3.872 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)N(C)C)ccc2Cl)c(Cl)cc1F ZINC000471140632 989252074 /nfs/dbraw/zinc/25/20/74/989252074.db2.gz CDHFNSOZPUOCQF-UHFFFAOYSA-N -1 3 405.278 3.944 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)NC[C@@H]1CCCS1 ZINC000465000699 989310625 /nfs/dbraw/zinc/31/06/25/989310625.db2.gz DDAWKMJHPPZWBZ-AWEZNQCLSA-N -1 3 408.520 3.560 20 0 HHADHM C[C@@H](c1nc(-c2ccccc2)no1)S(=O)(=O)c1nc(CCC2CCCC2)n[n-]1 ZINC000465030260 989353896 /nfs/dbraw/zinc/35/38/96/989353896.db2.gz SAPAQCOGAGVRRA-ZDUSSCGKSA-N -1 3 401.492 3.512 20 0 HHADHM C[C@@H](c1nc(-c2ccccc2)no1)S(=O)(=O)c1nnc(CCC2CCCC2)[n-]1 ZINC000465030260 989353902 /nfs/dbraw/zinc/35/39/02/989353902.db2.gz SAPAQCOGAGVRRA-ZDUSSCGKSA-N -1 3 401.492 3.512 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(NCCc3ccccc3OC(F)(F)F)nc2)n1 ZINC000465052203 989378016 /nfs/dbraw/zinc/37/80/16/989378016.db2.gz IAWGHESEEPKUAP-UHFFFAOYSA-N -1 3 404.392 4.360 20 0 HHADHM C[C@@H](COc1ccccc1)C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000471313671 989474555 /nfs/dbraw/zinc/47/45/55/989474555.db2.gz WZEGCZHJCKSTGS-LBPRGKRZSA-N -1 3 416.421 3.731 20 0 HHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1ccc(N2CCCCC2)nc1 ZINC000471315546 989475531 /nfs/dbraw/zinc/47/55/31/989475531.db2.gz RYXFTVBYQDLNMJ-UHFFFAOYSA-N -1 3 403.479 3.744 20 0 HHADHM CO[C@@H](CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C)C(C)C ZINC000465204677 989550846 /nfs/dbraw/zinc/55/08/46/989550846.db2.gz ONCVOTZUDKHYCB-FQEVSTJZSA-N -1 3 404.532 3.505 20 0 HHADHM CCCC[C@H](NC(=O)C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1)C1CCC1 ZINC000465354343 989703301 /nfs/dbraw/zinc/70/33/01/989703301.db2.gz IGDUXCXVCYUQFG-IBGZPJMESA-N -1 3 410.518 3.825 20 0 HHADHM CC(C)([N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F)c1nccs1 ZINC000471593512 989797221 /nfs/dbraw/zinc/79/72/21/989797221.db2.gz LCQVHYDPMCMDKS-UHFFFAOYSA-N -1 3 413.721 3.912 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccc(F)c(CSC)c2)cc1OC ZINC000471781861 989971157 /nfs/dbraw/zinc/97/11/57/989971157.db2.gz QGCKJXVSIVYDIX-UHFFFAOYSA-N -1 3 412.508 3.711 20 0 HHADHM CCc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccc(OC)cc3C)n2)cc1 ZINC000471877426 990049991 /nfs/dbraw/zinc/04/99/91/990049991.db2.gz RDKVFHUTJYNIOR-AWEZNQCLSA-N -1 3 401.488 3.656 20 0 HHADHM Cc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3cccc4cnccc43)n2)cc1F ZINC000471886502 990060306 /nfs/dbraw/zinc/06/03/06/990060306.db2.gz SQNMAXWCISBUOG-ZDUSSCGKSA-N -1 3 412.446 3.772 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNCc3ncc(Cl)s3)c2)cc1 ZINC000472049301 990216954 /nfs/dbraw/zinc/21/69/54/990216954.db2.gz VSQASVNQJJEUIU-UHFFFAOYSA-N -1 3 423.947 3.896 20 0 HHADHM COc1ccc(O[C@H](C)CNC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)cc1 ZINC000466216520 991428237 /nfs/dbraw/zinc/42/82/37/991428237.db2.gz HYIXIDCQDWQARH-CQSZACIVSA-N -1 3 408.458 3.755 20 0 HHADHM COc1ccccc1O[C@H](C)CNC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000466306257 991559793 /nfs/dbraw/zinc/55/97/93/991559793.db2.gz GHVGVJAQBVWXBX-CQSZACIVSA-N -1 3 408.458 3.755 20 0 HHADHM CC[C@H]1Cc2ccccc2CN1C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000466465288 991755486 /nfs/dbraw/zinc/75/54/86/991755486.db2.gz PLRWQOHOUCBDGT-SFHVURJKSA-N -1 3 417.531 3.826 20 0 HHADHM COC(=O)[C@@H]([N-]S(=O)(=O)Cc1ccc(Cl)c(Cl)c1)c1ccc(F)c(C)c1 ZINC000466517457 991806545 /nfs/dbraw/zinc/80/65/45/991806545.db2.gz IZYUIJCADDZIHI-INIZCTEOSA-N -1 3 420.289 3.775 20 0 HHADHM O=S(=O)([N-]Cc1cc2cc(Br)ccc2[nH]1)c1ccc(F)cc1F ZINC000466518243 991807521 /nfs/dbraw/zinc/80/75/21/991807521.db2.gz YCWRGVBKIXJGMM-UHFFFAOYSA-N -1 3 401.232 3.687 20 0 HHADHM COC(=O)COc1ccc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1 ZINC000466546495 991855098 /nfs/dbraw/zinc/85/50/98/991855098.db2.gz UMXUPRXQYJICAB-VIFPVBQESA-N -1 3 424.327 3.646 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(CN(C)C)c(Br)c2)cc1F ZINC000466963327 992273640 /nfs/dbraw/zinc/27/36/40/992273640.db2.gz JAPQXHNNTPPQEG-UHFFFAOYSA-N -1 3 401.301 3.759 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OC[C@@H]3CCOC3)c(F)c2)c(C)c1 ZINC000466971541 992282985 /nfs/dbraw/zinc/28/29/85/992282985.db2.gz SDUYILVYQQCYMJ-OAHLLOKOSA-N -1 3 409.479 3.749 20 0 HHADHM C[C@]1(CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)CCCS1 ZINC000467337580 992659023 /nfs/dbraw/zinc/65/90/23/992659023.db2.gz WEQWAUAVYBWIQD-LJQANCHMSA-N -1 3 408.520 3.642 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)NCCC3=CCCCCC3)c2)n1 ZINC000467524953 992800953 /nfs/dbraw/zinc/80/09/53/992800953.db2.gz FWBIBTOCFFEEDU-UHFFFAOYSA-N -1 3 408.502 3.747 20 0 HHADHM CCOC(=O)[C@@H](Cc1cccc(Cl)c1)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000467696580 992953025 /nfs/dbraw/zinc/95/30/25/992953025.db2.gz ODVYUNRAAVJZHT-GOSISDBHSA-N -1 3 407.869 3.798 20 0 HHADHM CC(C)c1nnc(C[N-]S(=O)(=O)c2ccc(OCc3ccccc3)cc2)s1 ZINC000467777628 993016723 /nfs/dbraw/zinc/01/67/23/993016723.db2.gz XRYPPTPYONSBLF-UHFFFAOYSA-N -1 3 403.529 3.719 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)CCCSC)c2)cc1 ZINC000467799520 993035022 /nfs/dbraw/zinc/03/50/22/993035022.db2.gz OQHKPHMZCVBCAB-UHFFFAOYSA-N -1 3 422.572 3.630 20 0 HHADHM CC(C)=CCN(Cc1ccc(Cl)cc1)C(=O)c1cncc([N-]S(C)(=O)=O)c1 ZINC000467810867 993044237 /nfs/dbraw/zinc/04/42/37/993044237.db2.gz XZKUDVZXFQDKKB-UHFFFAOYSA-N -1 3 407.923 3.715 20 0 HHADHM CCn1c2ccccc2nc1CC[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC000472106345 993157011 /nfs/dbraw/zinc/15/70/11/993157011.db2.gz PZGSNWTYIKRKHE-UHFFFAOYSA-N -1 3 401.463 3.771 20 0 HHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000472304502 993317127 /nfs/dbraw/zinc/31/71/27/993317127.db2.gz WRWTXAWHYJFTHZ-ZDUSSCGKSA-N -1 3 415.446 3.894 20 0 HHADHM Cc1nc2ccc(C(=O)N3CCC(C(=O)Nc4cc(Cl)ccc4[O-])CC3)cc2o1 ZINC000472312603 993324681 /nfs/dbraw/zinc/32/46/81/993324681.db2.gz JNYJDFKOZFPSQK-UHFFFAOYSA-N -1 3 413.861 3.986 20 0 HHADHM CS(=O)(=O)Nc1cc(C(=O)Nc2ccc(Cl)cc2[O-])cc(C(F)(F)F)c1 ZINC000472438203 993440593 /nfs/dbraw/zinc/44/05/93/993440593.db2.gz FZCVYRNRUMCXPF-UHFFFAOYSA-N -1 3 408.785 3.688 20 0 HHADHM O=S(=O)([N-][C@H](CO)c1ccsc1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000472698245 993619671 /nfs/dbraw/zinc/61/96/71/993619671.db2.gz JYANTCUGWGEAQM-CYBMUJFWSA-N -1 3 400.934 3.537 20 0 HHADHM C[C@H](O)[C@@](C)(C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)Cc1ccccc1 ZINC000480775320 993641209 /nfs/dbraw/zinc/64/12/09/993641209.db2.gz OVTNARDHEFZVLP-SCLBCKFNSA-N -1 3 419.440 3.753 20 0 HHADHM CC[C@@H](C)n1nc(NC(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)cc1C ZINC000480826608 993702655 /nfs/dbraw/zinc/70/26/55/993702655.db2.gz LIFQBRGCGZXEGK-GFCCVEGCSA-N -1 3 409.512 3.577 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)Nc1cccc(C(F)(F)F)c1C ZINC000472814843 993751468 /nfs/dbraw/zinc/75/14/68/993751468.db2.gz ZFHKOEJLGXMGQD-UHFFFAOYSA-N -1 3 402.376 3.649 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C[C@@H]2CCc3ccccc3C2)cc1OC ZINC000481133342 993967633 /nfs/dbraw/zinc/96/76/33/993967633.db2.gz BKDSAEDMNMDYQR-OAHLLOKOSA-N -1 3 402.516 3.591 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C[C@H]2CCc3ccccc3C2)cc1OC ZINC000481133341 993967709 /nfs/dbraw/zinc/96/77/09/993967709.db2.gz BKDSAEDMNMDYQR-HNNXBMFYSA-N -1 3 402.516 3.591 20 0 HHADHM Cc1cccc(Oc2ccc(Cl)cc2NC(=O)C(=O)NCc2ncccc2[O-])c1 ZINC000473060857 993981448 /nfs/dbraw/zinc/98/14/48/993981448.db2.gz YGFQPKPBQDKUMA-UHFFFAOYSA-N -1 3 411.845 3.796 20 0 HHADHM O=C(NCc1ccc([O-])c(F)c1)C1CCN(c2noc3ccc(Cl)cc32)CC1 ZINC000481264507 994084003 /nfs/dbraw/zinc/08/40/03/994084003.db2.gz ZMBCGWIRBWCXNN-UHFFFAOYSA-N -1 3 403.841 3.859 20 0 HHADHM Cc1nc(C)c(CC(=O)N[C@](C)(c2ccc(Br)cc2)C(C)C)c(=O)[n-]1 ZINC000481296685 994111962 /nfs/dbraw/zinc/11/19/62/994111962.db2.gz UCPYDLVGPRZRBF-IBGZPJMESA-N -1 3 406.324 3.792 20 0 HHADHM CC[C@@H](C)N[C@@H](CNC(=O)N=c1nc(-c2sccc2C)[n-]s1)c1ccco1 ZINC000481377508 994208683 /nfs/dbraw/zinc/20/86/83/994208683.db2.gz KDWLRUPAXHENNI-OLZOCXBDSA-N -1 3 405.549 3.841 20 0 HHADHM Cc1nc(C)c(CC(=O)Nc2ccc(OC(F)(F)F)c(Br)c2)c(=O)[n-]1 ZINC000473347720 994209566 /nfs/dbraw/zinc/20/95/66/994209566.db2.gz HBLJVSAOHDACRG-UHFFFAOYSA-N -1 3 420.185 3.641 20 0 HHADHM Cc1c(COc2ccccc2)cccc1NC(=O)C(=O)NCc1ccc([O-])c(F)c1 ZINC000473358019 994219747 /nfs/dbraw/zinc/21/97/47/994219747.db2.gz WRXQAROSRBIAPB-UHFFFAOYSA-N -1 3 408.429 3.674 20 0 HHADHM Cc1ccc(-n2cccn2)cc1[N-]S(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000473437927 994288616 /nfs/dbraw/zinc/28/86/16/994288616.db2.gz BGLXPKXVHQXGFR-UHFFFAOYSA-N -1 3 411.405 3.923 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-][C@H](CO)c2ccc(Cl)cc2C(F)(F)F)c(F)c1 ZINC000481460819 994295686 /nfs/dbraw/zinc/29/56/86/994295686.db2.gz CHZXEWYKWCCDTK-CQSZACIVSA-N -1 3 411.804 3.818 20 0 HHADHM CC(C)C(=O)Nc1ccc(CNC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000481481146 994315186 /nfs/dbraw/zinc/31/51/86/994315186.db2.gz UNYOJMWBEGDSBP-UHFFFAOYSA-N -1 3 420.307 3.749 20 0 HHADHM CCc1ccc(S(=O)(=O)[N-][C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)s1 ZINC000481503979 994336550 /nfs/dbraw/zinc/33/65/50/994336550.db2.gz VVZASLYTOPJJOX-ZDUSSCGKSA-N -1 3 413.870 3.995 20 0 HHADHM CN(Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1)C[C@H]1CCCC[C@H]1O ZINC000481538289 994369885 /nfs/dbraw/zinc/36/98/85/994369885.db2.gz DZLLHJHAWFWRJR-RHSMWYFYSA-N -1 3 401.507 3.774 20 0 HHADHM COc1cc(C(=O)N2CCN([C@H](C)c3ccccc3Cl)CC2)cc(OC)c1[O-] ZINC000481601252 994450949 /nfs/dbraw/zinc/45/09/49/994450949.db2.gz WSMLRLITEPKDTJ-CQSZACIVSA-N -1 3 404.894 3.582 20 0 HHADHM CC(C)CNC(=O)N1CCC[C@@H](CC(=O)Nc2ccc([O-])c(C(F)(F)F)c2)C1 ZINC000473595683 994475589 /nfs/dbraw/zinc/47/55/89/994475589.db2.gz ZQMYOAVCNGIRJI-ZDUSSCGKSA-N -1 3 401.429 3.817 20 0 HHADHM Cc1ccc(NC(=O)CSc2ccccc2C(=O)NCc2ncccc2[O-])cc1 ZINC000473631891 994512238 /nfs/dbraw/zinc/51/22/38/994512238.db2.gz VCFXSFNJNWTRGD-UHFFFAOYSA-N -1 3 407.495 3.756 20 0 HHADHM CC(C)(C)N1C(=O)C[C@@H](C(=O)NCc2ncccc2[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000473639720 994520905 /nfs/dbraw/zinc/52/09/05/994520905.db2.gz QXONCJDDGCFPSR-YJYMSZOUSA-N -1 3 419.884 3.584 20 0 HHADHM O=C(CSc1nnc(-c2ccco2)n1C1CCCCC1)NCc1ncccc1[O-] ZINC000473641067 994522797 /nfs/dbraw/zinc/52/27/97/994522797.db2.gz UBAQSMCCDAAXSW-UHFFFAOYSA-N -1 3 413.503 3.552 20 0 HHADHM O=C(NCc1ncccc1[O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(Cl)cc1 ZINC000473644486 994527859 /nfs/dbraw/zinc/52/78/59/994527859.db2.gz RPRXHKGPMCMDRA-MNEFBYGVSA-N -1 3 413.905 3.530 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000481892073 994761280 /nfs/dbraw/zinc/76/12/80/994761280.db2.gz JSJWATGDOCLACL-UHFFFAOYSA-N -1 3 418.404 3.668 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)NCc1ccccc1OC(F)F ZINC000481929195 994800734 /nfs/dbraw/zinc/80/07/34/994800734.db2.gz BZHKCKXYQVCMQH-UHFFFAOYSA-N -1 3 401.207 3.756 20 0 HHADHM Cc1noc(C)c1CSc1ccccc1C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000473897386 994853569 /nfs/dbraw/zinc/85/35/69/994853569.db2.gz WLGUUNNRQSPDTD-UHFFFAOYSA-N -1 3 420.498 3.940 20 0 HHADHM Cc1noc(C)c1CSc1ccccc1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000473897386 994853578 /nfs/dbraw/zinc/85/35/78/994853578.db2.gz WLGUUNNRQSPDTD-UHFFFAOYSA-N -1 3 420.498 3.940 20 0 HHADHM Cc1nc2cc(C(=O)Nc3ccc(Cc4nnn[n-]4)cc3)ccc2n1-c1ccccc1 ZINC000473908168 994871061 /nfs/dbraw/zinc/87/10/61/994871061.db2.gz ULKKPZNBRCRLOB-UHFFFAOYSA-N -1 3 409.453 3.690 20 0 HHADHM Cc1nc2cc(C(=O)Nc3ccc(Cc4nn[n-]n4)cc3)ccc2n1-c1ccccc1 ZINC000473908168 994871066 /nfs/dbraw/zinc/87/10/66/994871066.db2.gz ULKKPZNBRCRLOB-UHFFFAOYSA-N -1 3 409.453 3.690 20 0 HHADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)F)cc2)cc1 ZINC000481978147 994872304 /nfs/dbraw/zinc/87/23/04/994872304.db2.gz ZPIGCEAEKAVQMP-UHFFFAOYSA-N -1 3 401.431 3.547 20 0 HHADHM COc1ccc(OC)c([C@H](C)NC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000482095025 995037658 /nfs/dbraw/zinc/03/76/58/995037658.db2.gz FNRDBLZWTXXIDI-NSHDSACASA-N -1 3 409.280 3.732 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)Cc3ccc4c[nH]nc4c3)cc2)cc1 ZINC000474091944 995074365 /nfs/dbraw/zinc/07/43/65/995074365.db2.gz ZIOQHHODQASAAI-UHFFFAOYSA-N -1 3 420.494 3.853 20 0 HHADHM CC[C@H]([N-]S(=O)(=O)c1cc(OC)ccc1Br)c1nc(C)cs1 ZINC000474101041 995081893 /nfs/dbraw/zinc/08/18/93/995081893.db2.gz ZUDDNDBBVCJUMN-LBPRGKRZSA-N -1 3 405.339 3.652 20 0 HHADHM CC1(C)CCCCN(C(=O)c2c[n-]c3ccc(I)cc3c2=O)C1 ZINC000474105105 995084470 /nfs/dbraw/zinc/08/44/70/995084470.db2.gz LIPKEGNTSWQSCW-UHFFFAOYSA-N -1 3 424.282 3.785 20 0 HHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NC[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000482196008 995173230 /nfs/dbraw/zinc/17/32/30/995173230.db2.gz BFHVUSVMUKDDTG-BBRMVZONSA-N -1 3 408.424 3.580 20 0 HHADHM COC[C@H]([N-]S(=O)(=O)c1ccc(OCC(F)F)c2ccccc21)c1ccco1 ZINC000474188982 995179876 /nfs/dbraw/zinc/17/98/76/995179876.db2.gz JQRWXFPATGGMKI-HNNXBMFYSA-N -1 3 411.426 3.743 20 0 HHADHM COC(=O)c1csc(S(=O)(=O)[N-]Cc2cc(-c3ccc(OC)cc3)cs2)c1 ZINC000474214482 995209724 /nfs/dbraw/zinc/20/97/24/995209724.db2.gz KQMGKDPCGAHOLL-UHFFFAOYSA-N -1 3 423.537 3.750 20 0 HHADHM CC(C)c1ccc(-n2ccnc2SCC(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000482229726 995212844 /nfs/dbraw/zinc/21/28/44/995212844.db2.gz ONSJUETXWRVICD-UHFFFAOYSA-N -1 3 424.452 3.541 20 0 HHADHM Cc1nc2ccccc2n1CCCNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000482272147 995248858 /nfs/dbraw/zinc/24/88/58/995248858.db2.gz WKBILINAETUBLW-UHFFFAOYSA-N -1 3 417.307 3.702 20 0 HHADHM O=C(NCc1ccc(OC2CCCC2)nc1)NCc1ccc([O-])c(Br)c1 ZINC000482288461 995267971 /nfs/dbraw/zinc/26/79/71/995267971.db2.gz BYHSBPDBGQNTPY-UHFFFAOYSA-N -1 3 420.307 3.871 20 0 HHADHM CCCCn1cc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c(C)n1 ZINC000474277823 995273511 /nfs/dbraw/zinc/27/35/11/995273511.db2.gz UOEHCEUHMICYOQ-UHFFFAOYSA-N -1 3 418.925 3.842 20 0 HHADHM COC(=O)c1cc(Br)ccc1S(=O)(=O)[N-]c1cc(C)ccc1Cl ZINC000474305968 995293982 /nfs/dbraw/zinc/29/39/82/995293982.db2.gz BOISFNNQFUAIOF-UHFFFAOYSA-N -1 3 418.696 3.998 20 0 HHADHM C[C@H](COc1ccc(F)cc1F)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000482329500 995308913 /nfs/dbraw/zinc/30/89/13/995308913.db2.gz TVIPTMNGIPUHLL-SNVBAGLBSA-N -1 3 415.234 3.700 20 0 HHADHM CCN(CC)[C@@H](CNC(=O)c1c(C)[n-]c(=O)nc1SC)c1ccccc1Cl ZINC000474334550 995314912 /nfs/dbraw/zinc/31/49/12/995314912.db2.gz BSBJTYKYCLZKJT-HNNXBMFYSA-N -1 3 408.955 3.679 20 0 HHADHM CC(C)[C@@H]1CC[C@@H](NC(=O)c2[nH]c(=O)[n-]c(=O)c2N)[C@H](Cc2ccc(Cl)cc2)C1 ZINC000482344590 995323540 /nfs/dbraw/zinc/32/35/40/995323540.db2.gz SKPPHWHWOKFYPS-IIAWOOMASA-N -1 3 418.925 3.537 20 0 HHADHM O=C(NCc1ccc([O-])c(F)c1)N1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000474379979 995357345 /nfs/dbraw/zinc/35/73/45/995357345.db2.gz INYBAEABVYHSPW-UZUQRXQVSA-N -1 3 422.460 3.845 20 0 HHADHM COc1c2ccccc2oc1C[N-]S(=O)(=O)c1ccc(C)cc1Br ZINC000474395609 995367863 /nfs/dbraw/zinc/36/78/63/995367863.db2.gz WYFBOZMCTIGIMK-UHFFFAOYSA-N -1 3 410.289 3.991 20 0 HHADHM O=C(NCc1cccc(Br)c1)NCc1ccc([O-])c(Br)c1 ZINC000482458862 995461087 /nfs/dbraw/zinc/46/10/87/995461087.db2.gz AVLPDDLHMFFIJL-UHFFFAOYSA-N -1 3 414.097 3.917 20 0 HHADHM C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000482490671 995500681 /nfs/dbraw/zinc/50/06/81/995500681.db2.gz YXZONEPMTMVQNR-GFCCVEGCSA-N -1 3 421.291 3.704 20 0 HHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000482527043 995535564 /nfs/dbraw/zinc/53/55/64/995535564.db2.gz MKQMDGVBOQZJLN-ZDUSSCGKSA-N -1 3 408.285 3.666 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(-c3nc(C(C)(C)OC)no3)ccc2C)cc1 ZINC000482548229 995556287 /nfs/dbraw/zinc/55/62/87/995556287.db2.gz DVJQKJVWQVMUJO-UHFFFAOYSA-N -1 3 417.487 3.736 20 0 HHADHM Cc1coc2ccc(NC(=O)NCC[N-]S(=O)(=O)c3ccc(Cl)s3)cc12 ZINC000482550028 995557030 /nfs/dbraw/zinc/55/70/30/995557030.db2.gz DZFJTKCPLIEGKC-UHFFFAOYSA-N -1 3 413.908 3.556 20 0 HHADHM C[C@H](NC(=O)NCc1ccc([O-])c(Br)c1)c1ccc(-n2cccn2)cc1 ZINC000482613662 995610739 /nfs/dbraw/zinc/61/07/39/995610739.db2.gz CWTYHIQCAABYAD-ZDUSSCGKSA-N -1 3 415.291 3.901 20 0 HHADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)c1cc2c(s1)-c1ccccc1CC2 ZINC000474780980 995706975 /nfs/dbraw/zinc/70/69/75/995706975.db2.gz PUHKPHTVOLXADB-UHFFFAOYSA-N -1 3 410.451 3.667 20 0 HHADHM COC(=O)C[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccc2ccccc2c1 ZINC000474829077 995734900 /nfs/dbraw/zinc/73/49/00/995734900.db2.gz FDWHGIZHCDRNGL-FQEVSTJZSA-N -1 3 400.434 3.716 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N[C@H](COc1ccccc1F)c1ccccc1 ZINC000482840800 995784460 /nfs/dbraw/zinc/78/44/60/995784460.db2.gz JPJVXCMWKIFGIR-CQSZACIVSA-N -1 3 423.370 3.582 20 0 HHADHM C[C@@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)C(c1ccccc1)c1ccccc1 ZINC000482856114 995795264 /nfs/dbraw/zinc/79/52/64/995795264.db2.gz JMYCGUFEQLIMOW-CYBMUJFWSA-N -1 3 403.408 3.843 20 0 HHADHM CCCNC(=O)c1ccc(NC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000482925998 995855461 /nfs/dbraw/zinc/85/54/61/995855461.db2.gz YDWOXUAURNJENY-UHFFFAOYSA-N -1 3 406.280 3.616 20 0 HHADHM COC(=O)C[C@H](NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)c1ccc(F)cc1 ZINC000475019293 995874768 /nfs/dbraw/zinc/87/47/68/995874768.db2.gz XYPRZSRLWBYIFH-IBGZPJMESA-N -1 3 424.432 3.723 20 0 HHADHM COc1ccc(-c2ccc(CNC(=O)Nc3ccc4c(c3)C(=O)[N-]C4=O)s2)cc1 ZINC000475026112 995879534 /nfs/dbraw/zinc/87/95/34/995879534.db2.gz WVOJAOALZVESKZ-UHFFFAOYSA-N -1 3 407.451 3.629 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)NCC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000483111226 995981744 /nfs/dbraw/zinc/98/17/44/995981744.db2.gz ZZOIRWAWVPFIJX-UHFFFAOYSA-N -1 3 421.345 3.763 20 0 HHADHM CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000483323920 996098046 /nfs/dbraw/zinc/09/80/46/996098046.db2.gz KKCGKNCZAAHDDA-UHFFFAOYSA-N -1 3 415.453 3.582 20 0 HHADHM CC(C)N(Cc1cccc(Br)c1)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483564265 996253453 /nfs/dbraw/zinc/25/34/53/996253453.db2.gz CCYWUKULSPOSSF-UHFFFAOYSA-N -1 3 420.233 3.706 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CCC[C@@H]1c1ccc(Br)s1 ZINC000483570759 996257950 /nfs/dbraw/zinc/25/79/50/996257950.db2.gz GHAMDCMMUAKXMM-SSDOTTSWSA-N -1 3 424.246 3.694 20 0 HHADHM Cc1cc(F)c(S(=O)(=O)[N-][C@H](C)c2ccc(NC(=O)NC3CC3)cc2)cc1F ZINC000475746289 996344874 /nfs/dbraw/zinc/34/48/74/996344874.db2.gz ZBVMQZDEIQPLJZ-GFCCVEGCSA-N -1 3 409.458 3.597 20 0 HHADHM O=S(=O)([N-][C@@H](c1ccccc1)[C@@H]1CCCO1)c1ccc(Br)cc1F ZINC000475760345 996353945 /nfs/dbraw/zinc/35/39/45/996353945.db2.gz PTDGOZNPVIOKGZ-RDJZCZTQSA-N -1 3 414.296 3.787 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)C3(SC)CC3)ccc2C)cc1 ZINC000476026641 996551621 /nfs/dbraw/zinc/55/16/21/996551621.db2.gz BOHFEGPKPKEHRG-UHFFFAOYSA-N -1 3 406.529 3.639 20 0 HHADHM CC[C@@H](C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000484080176 996558578 /nfs/dbraw/zinc/55/85/78/996558578.db2.gz QQCABDUMNAZDKG-IAQYHMDHSA-N -1 3 401.854 3.501 20 0 HHADHM CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000484090028 996564485 /nfs/dbraw/zinc/56/44/85/996564485.db2.gz XWVVECUTSRZXHM-CQSZACIVSA-N -1 3 401.854 3.501 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N[C@H]3CCC(C)(C)C[C@H]3C)c2)n1 ZINC000484121771 996581934 /nfs/dbraw/zinc/58/19/34/996581934.db2.gz ZSDWZRQCHJLSHM-KDOFPFPSSA-N -1 3 410.518 3.681 20 0 HHADHM C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000476180018 996660172 /nfs/dbraw/zinc/66/01/72/996660172.db2.gz WUYPHEJCYYUWBI-SNVBAGLBSA-N -1 3 405.369 3.599 20 0 HHADHM O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1)c1ccco1 ZINC000476181631 996661312 /nfs/dbraw/zinc/66/13/12/996661312.db2.gz ZKTBGEJCKWCDCM-MRXNPFEDSA-N -1 3 418.371 3.984 20 0 HHADHM Cn1cc(-c2ncc(C(=O)[N-]c3n[nH]c(-c4cccc5ccccc54)n3)s2)cn1 ZINC000484435452 996763708 /nfs/dbraw/zinc/76/37/08/996763708.db2.gz FLESFFMIJRSBGB-UHFFFAOYSA-N -1 3 401.455 3.734 20 0 HHADHM CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2ccc(NC(C)=O)c3ccccc32)c1 ZINC000476408942 996869042 /nfs/dbraw/zinc/86/90/42/996869042.db2.gz MELRMSLKRNFXJT-UHFFFAOYSA-N -1 3 415.446 3.697 20 0 HHADHM Cc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3ccc4ncsc4c3)n2)cc1F ZINC000476419122 996883525 /nfs/dbraw/zinc/88/35/25/996883525.db2.gz QNBMCEXDMZYDPH-LLVKDONJSA-N -1 3 418.475 3.833 20 0 HHADHM Cc1c(Br)cccc1S(=O)(=O)[N-]c1ccc(O[C@H]2CCOC2)cc1 ZINC000476423253 996890556 /nfs/dbraw/zinc/89/05/56/996890556.db2.gz MUPLIFHWYKUJDW-HNNXBMFYSA-N -1 3 412.305 3.726 20 0 HHADHM COC(=O)c1cc(C)nc2nc(S[C@H](C)c3ncc(C(C)(C)C)o3)[n-]c(=O)c21 ZINC000476482123 996962748 /nfs/dbraw/zinc/96/27/48/996962748.db2.gz NSWSGROZYRGNIH-SNVBAGLBSA-N -1 3 402.476 3.964 20 0 HHADHM Cn1cc([C@@H]2CSCCN2Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)cn1 ZINC000484644240 996979720 /nfs/dbraw/zinc/97/97/20/996979720.db2.gz LTYWHRVUUBOCHP-AWEZNQCLSA-N -1 3 413.528 3.681 20 0 HHADHM CCC[C@H](CCO)CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C ZINC000476784837 997340535 /nfs/dbraw/zinc/34/05/35/997340535.db2.gz HZFFXEUKEYZCQE-GOSISDBHSA-N -1 3 418.559 3.633 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)CC(F)F)ccc2C)cc1 ZINC000485072602 997440422 /nfs/dbraw/zinc/44/04/22/997440422.db2.gz KZXYVKPNZAJZSF-UHFFFAOYSA-N -1 3 412.458 3.532 20 0 HHADHM CC(=O)N1CCc2ccccc2[C@H]1CC(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485095728 997471585 /nfs/dbraw/zinc/47/15/85/997471585.db2.gz OGVZWOHBWXKOGW-GOSISDBHSA-N -1 3 415.453 3.692 20 0 HHADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1cccc(OCC(F)(F)F)n1 ZINC000485108304 997488656 /nfs/dbraw/zinc/48/86/56/997488656.db2.gz UMWJZVJXCPJWHU-UHFFFAOYSA-N -1 3 403.320 3.806 20 0 HHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1cccc(OCC(F)(F)F)n1 ZINC000485108304 997488663 /nfs/dbraw/zinc/48/86/63/997488663.db2.gz UMWJZVJXCPJWHU-UHFFFAOYSA-N -1 3 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/nfs/dbraw/zinc/63/11/97/1003631197.db2.gz JOFPJWDPONZKLY-BONVTDFDSA-N -1 3 424.744 3.503 20 0 HHADHM O=S(=O)([N-]c1ncc(Br)cc1Br)c1ccc(F)cc1 ZINC000509240924 1003647775 /nfs/dbraw/zinc/64/77/75/1003647775.db2.gz OMRNFYKAVXSVET-UHFFFAOYSA-N -1 3 410.062 3.547 20 0 HHADHM O=S(=O)([N-]CCc1ccc2c(c1)CCO2)c1c(Cl)cccc1Br ZINC000509242770 1003649332 /nfs/dbraw/zinc/64/93/32/1003649332.db2.gz ZBFUWLCNLGPILN-UHFFFAOYSA-N -1 3 416.724 3.558 20 0 HHADHM O=S(=O)([N-]C[C@@H](c1ccco1)N1CCCC1)c1csc(-c2ccccc2)n1 ZINC000500447628 1003724607 /nfs/dbraw/zinc/72/46/07/1003724607.db2.gz RLLHGEVHNQCBQP-INIZCTEOSA-N -1 3 403.529 3.519 20 0 HHADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2Cl)cc1F ZINC000500477466 1003738604 /nfs/dbraw/zinc/73/86/04/1003738604.db2.gz WHNMGYDCEDSEDY-UHFFFAOYSA-N -1 3 422.659 3.829 20 0 HHADHM COC(=O)[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc(C)cc1 ZINC000500529316 1003765627 /nfs/dbraw/zinc/76/56/27/1003765627.db2.gz ABKOTMOLICNNMD-CQSZACIVSA-N -1 3 402.299 3.537 20 0 HHADHM 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1003838254 /nfs/dbraw/zinc/83/82/54/1003838254.db2.gz BDUBJPRXSVFCPU-QMMMGPOBSA-N -1 3 412.277 3.535 20 0 HHADHM O=S(=O)([N-]CCc1cccc2cccnc21)c1cc(Br)ccc1F ZINC000500637563 1003852124 /nfs/dbraw/zinc/85/21/24/1003852124.db2.gz SWZPICWGMOTBSH-UHFFFAOYSA-N -1 3 409.280 3.657 20 0 HHADHM Cn1ncc2c1ncc(C(=O)Nc1ccc(NC(=O)c3ccc(Cl)cc3)cc1)c2[O-] ZINC000511908495 1003884661 /nfs/dbraw/zinc/88/46/61/1003884661.db2.gz YECAEWNDKRVWGQ-UHFFFAOYSA-N -1 3 421.844 3.832 20 0 HHADHM CN(C)Cc1cc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)ccc1Cl ZINC000500779673 1003951276 /nfs/dbraw/zinc/95/12/76/1003951276.db2.gz MTTZVTZHWMPOTI-UHFFFAOYSA-N -1 3 404.866 3.846 20 0 HHADHM CC(C)[N-]S(=O)(=O)c1cc(-c2nc([C@@H]3C[C@H]3c3ccccc3)no2)ccc1F ZINC000512061291 1003992037 /nfs/dbraw/zinc/99/20/37/1003992037.db2.gz MIYKLFAURFQWQF-JKSUJKDBSA-N -1 3 401.463 3.834 20 0 HHADHM Cc1cccc(CCC[N-]S(=O)(=O)c2cccc(Br)c2Cl)n1 ZINC000509634895 1003995415 /nfs/dbraw/zinc/99/54/15/1003995415.db2.gz QELSGHPWYSEEPN-UHFFFAOYSA-N -1 3 403.729 3.717 20 0 HHADHM Cn1ncc2c1ncc(C(=O)N1CCC[C@H](Oc3ccc(Cl)c(Cl)c3)C1)c2[O-] ZINC000512170540 1004073989 /nfs/dbraw/zinc/07/39/89/1004073989.db2.gz KXOLIZPZMLDVSO-LBPRGKRZSA-N -1 3 421.284 3.664 20 0 HHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@@H]3CCc4ccccc43)cs2)c1 ZINC000509780234 1004091083 /nfs/dbraw/zinc/09/10/83/1004091083.db2.gz ZFLKGGGHFRUYQN-GOSISDBHSA-N -1 3 407.495 3.756 20 0 HHADHM CCOc1ccc(NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)cc1Cl ZINC000512196978 1004097272 /nfs/dbraw/zinc/09/72/72/1004097272.db2.gz OQGRQXGQXXGFDV-UHFFFAOYSA-N -1 3 412.877 3.764 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N(C)CCCCc1ccccc1 ZINC000512197426 1004098213 /nfs/dbraw/zinc/09/82/13/1004098213.db2.gz PRYRBSHWGLYKAV-UHFFFAOYSA-N -1 3 404.514 3.554 20 0 HHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3CC[C@H](c4ccccc4)C3)cs2)c1 ZINC000509880135 1004174053 /nfs/dbraw/zinc/17/40/53/1004174053.db2.gz ABZNKYNIPBVKHU-KRWDZBQOSA-N -1 3 421.522 3.968 20 0 HHADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N[C@H](c1ccc(C(C)C)cc1)C(C)C ZINC000512321463 1004215688 /nfs/dbraw/zinc/21/56/88/1004215688.db2.gz HMTWVZASCZNTML-KXBFYZLASA-N -1 3 421.563 3.595 20 0 HHADHM Cc1nc(C)c(CCC(=O)Nc2cccc(-c3nc4ccccc4n3C)c2)c(=O)[n-]1 ZINC000512324211 1004218074 /nfs/dbraw/zinc/21/80/74/1004218074.db2.gz QMDIAXVBLZKSQN-UHFFFAOYSA-N -1 3 401.470 3.924 20 0 HHADHM COCC[C@H](Cc1ccco1)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000510001522 1004257440 /nfs/dbraw/zinc/25/74/40/1004257440.db2.gz GPGQECYFYOFOTE-GFCCVEGCSA-N -1 3 411.829 3.878 20 0 HHADHM O=S(=O)([N-][C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F)c1c[nH]c2ncccc12 ZINC000512431350 1004297733 /nfs/dbraw/zinc/29/77/33/1004297733.db2.gz AUHVHVUELHTBKL-ZDUSSCGKSA-N -1 3 421.347 3.746 20 0 HHADHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)[C@@H](O)Cc1ccccc1 ZINC000510060981 1004298056 /nfs/dbraw/zinc/29/80/56/1004298056.db2.gz XBTCGZDLQCUKHR-ABAIWWIYSA-N -1 3 407.841 3.629 20 0 HHADHM NC(=O)c1cccc(S(=O)(=O)[N-][C@@H](c2cccc3ccccc32)C(F)(F)F)c1 ZINC000512432595 1004298119 /nfs/dbraw/zinc/29/81/19/1004298119.db2.gz ROQXMRLRIAWBKK-KRWDZBQOSA-N -1 3 408.401 3.521 20 0 HHADHM Cc1ccc(-c2nc(NC(=O)c3cccc(-c4noc(C(F)(F)F)n4)c3)n[n-]2)o1 ZINC000501244852 1004309446 /nfs/dbraw/zinc/30/94/46/1004309446.db2.gz LHVNECMODRXOGZ-UHFFFAOYSA-N -1 3 404.308 3.694 20 0 HHADHM O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)Nc1cccc2ccsc21 ZINC000501275146 1004328028 /nfs/dbraw/zinc/32/80/28/1004328028.db2.gz PAWDECVXDZUPBN-UHFFFAOYSA-N -1 3 415.949 3.716 20 0 HHADHM CCc1n[n-]c(S(=O)(=O)[C@H](C)c2ncc(-c3ccc(Cl)cc3Cl)o2)n1 ZINC000512591251 1004407063 /nfs/dbraw/zinc/40/70/63/1004407063.db2.gz FDCPNSUVFNMEFF-MRVPVSSYSA-N -1 3 401.275 3.864 20 0 HHADHM CCc1nnc(S(=O)(=O)[C@H](C)c2ncc(-c3ccc(Cl)cc3Cl)o2)[n-]1 ZINC000512591251 1004407067 /nfs/dbraw/zinc/40/70/67/1004407067.db2.gz FDCPNSUVFNMEFF-MRVPVSSYSA-N -1 3 401.275 3.864 20 0 HHADHM CCOC(=O)c1cnn(-c2cccc([N-]S(=O)(=O)c3ccc(C)cc3C)c2)c1C ZINC000512596359 1004411738 /nfs/dbraw/zinc/41/17/38/1004411738.db2.gz CDCGITNPRGLSTM-UHFFFAOYSA-N -1 3 413.499 3.775 20 0 HHADHM Cc1oc(C2CC2)nc1C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000510267468 1004436917 /nfs/dbraw/zinc/43/69/17/1004436917.db2.gz FITVGKIICDXEIE-UHFFFAOYSA-N -1 3 403.382 3.503 20 0 HHADHM O=S(=O)([N-][C@H](CCCO)c1ccccc1)c1c(Cl)cccc1Br ZINC000510273400 1004441297 /nfs/dbraw/zinc/44/12/97/1004441297.db2.gz NBNUTRGWNTUIFF-OAHLLOKOSA-N -1 3 418.740 3.895 20 0 HHADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(F)c(Br)cc2F)ccc1F ZINC000512767780 1004547758 /nfs/dbraw/zinc/54/77/58/1004547758.db2.gz URUVCLGVLAUISR-UHFFFAOYSA-N -1 3 423.210 3.626 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C[C@H](C)c2ccc(F)cc2F)cc1OC ZINC000501785677 1004728207 /nfs/dbraw/zinc/72/82/07/1004728207.db2.gz QVWYDGQOJJZIRV-LBPRGKRZSA-N -1 3 412.458 3.867 20 0 HHADHM CC(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc(OC(C)C)c(C)c3)ccc21 ZINC000501805863 1004747509 /nfs/dbraw/zinc/74/75/09/1004747509.db2.gz XJOSXWOASSYFMP-UHFFFAOYSA-N -1 3 402.516 3.882 20 0 HHADHM O=S(=O)([N-][C@H](C[C@@H]1CCOC1)c1ccccc1)c1ccc(Br)s1 ZINC000513026127 1004765511 /nfs/dbraw/zinc/76/55/11/1004765511.db2.gz OLNPFDCTKHCGTR-GXTWGEPZSA-N -1 3 416.362 3.957 20 0 HHADHM O=S(=O)([N-][C@@H](C[C@H]1CCOC1)c1ccccc1)c1ccc(Br)s1 ZINC000513026129 1004765545 /nfs/dbraw/zinc/76/55/45/1004765545.db2.gz OLNPFDCTKHCGTR-OCCSQVGLSA-N -1 3 416.362 3.957 20 0 HHADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H](C)c3ccc(Br)cc3)nc21 ZINC000501869412 1004787315 /nfs/dbraw/zinc/78/73/15/1004787315.db2.gz YJBSRTJTNXLHKB-SNVBAGLBSA-N -1 3 402.248 3.854 20 0 HHADHM CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)[N-][C@@H](C)c2ccc(Cl)cc2)c1 ZINC000501894107 1004798988 /nfs/dbraw/zinc/79/89/88/1004798988.db2.gz TYRPMUTYMZPKPS-NSHDSACASA-N -1 3 415.870 3.704 20 0 HHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc(C[S@@](C)=O)cc2)c1Cl ZINC000510722738 1004817089 /nfs/dbraw/zinc/81/70/89/1004817089.db2.gz YAYZYQVKNPHCJN-HSZRJFAPSA-N -1 3 406.356 3.659 20 0 HHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc(C[S@](C)=O)cc2)c1Cl ZINC000510722739 1004817375 /nfs/dbraw/zinc/81/73/75/1004817375.db2.gz YAYZYQVKNPHCJN-QHCPKHFHSA-N -1 3 406.356 3.659 20 0 HHADHM O=S(=O)([N-]Cc1nccn1CCc1ccccc1)c1c(Cl)cccc1Cl ZINC000501966399 1004835387 /nfs/dbraw/zinc/83/53/87/1004835387.db2.gz AYWVLWZXFQKHLI-UHFFFAOYSA-N -1 3 410.326 3.911 20 0 HHADHM O=C(Nc1ccccc1)N1CC[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000510767543 1004840845 /nfs/dbraw/zinc/84/08/45/1004840845.db2.gz WUKOGYPHKLRFHF-ZDUSSCGKSA-N -1 3 414.314 3.578 20 0 HHADHM Cc1ccc(C)c([C@H](C)N(C)C(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)c1 ZINC000510771866 1004843843 /nfs/dbraw/zinc/84/38/43/1004843843.db2.gz YGYHACDRCMHREP-SFHVURJKSA-N -1 3 404.514 3.909 20 0 HHADHM Cc1nc(C2([N-]S(=O)(=O)Cc3ccc(Cl)cc3Cl)CCCCC2)no1 ZINC000510776696 1004846585 /nfs/dbraw/zinc/84/65/85/1004846585.db2.gz DDMNQXSLINTOID-UHFFFAOYSA-N -1 3 404.319 3.964 20 0 HHADHM Cc1cc(F)c(S(=O)(=O)[N-]Cc2nccn2CCCc2ccccc2)cc1F ZINC000502019489 1004864462 /nfs/dbraw/zinc/86/44/62/1004864462.db2.gz SGIOLTNXHIXTEK-UHFFFAOYSA-N -1 3 405.470 3.581 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H]3CCCN(C(=O)[C@@H](C)CC)C3)c2)n1 ZINC000513226591 1004870428 /nfs/dbraw/zinc/87/04/28/1004870428.db2.gz QUNUXPKRVRELSA-DOTOQJQBSA-N -1 3 410.518 3.635 20 0 HHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccnc(-c4ccc(Cl)cc4)n3)nc21 ZINC000502078302 1004892608 /nfs/dbraw/zinc/89/26/08/1004892608.db2.gz DMXVNXPGLVUBDV-UHFFFAOYSA-N -1 3 407.817 3.712 20 0 HHADHM COC(=O)c1cccc2[n-]c(NC(=O)Cc3c4ccc(C)cc4oc3C(C)=O)nc21 ZINC000502095974 1004901054 /nfs/dbraw/zinc/90/10/54/1004901054.db2.gz HAFQPIYNMDUVIM-UHFFFAOYSA-N -1 3 405.410 3.788 20 0 HHADHM COC(=O)c1csc(S(=O)(=O)[N-]C(c2ccc(F)cc2)c2ccc(F)cc2)c1 ZINC000502196567 1004952565 /nfs/dbraw/zinc/95/25/65/1004952565.db2.gz QXZIBIWFSYTVFU-UHFFFAOYSA-N -1 3 423.462 3.881 20 0 HHADHM CS(=O)(=O)[N-]c1cncc(C(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)c1 ZINC000502197692 1004953018 /nfs/dbraw/zinc/95/30/18/1004953018.db2.gz PHPVPKQKGKVWMF-LJQANCHMSA-N -1 3 415.902 3.626 20 0 HHADHM CS(=O)(=O)[N-]c1cncc(C(=O)N[C@H](c2cc3ccccc3o2)c2ccccc2)c1 ZINC000502252682 1004978426 /nfs/dbraw/zinc/97/84/26/1004978426.db2.gz JKNNSFGRMVRNES-NRFANRHFSA-N -1 3 421.478 3.719 20 0 HHADHM C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)c1c(F)cncc1F ZINC000511029014 1004987232 /nfs/dbraw/zinc/98/72/32/1004987232.db2.gz KSQJLSODSMXCMS-ZETCQYMHSA-N -1 3 411.655 3.815 20 0 HHADHM C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)c1c(F)cncc1F ZINC000511030923 1004988163 /nfs/dbraw/zinc/98/81/63/1004988163.db2.gz PSDYXDOJSDWHRR-SSDOTTSWSA-N -1 3 411.655 3.815 20 0 HHADHM Cc1cc([C@H](C)NCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)nn1C ZINC000502366217 1005038146 /nfs/dbraw/zinc/03/81/46/1005038146.db2.gz NORIDINEELTDNK-HNNXBMFYSA-N -1 3 402.495 3.519 20 0 HHADHM COc1cccc(Oc2ccc([N-]S(=O)(=O)c3ccc4c(c3)CC(=O)N4)cc2)c1 ZINC000511135598 1005038679 /nfs/dbraw/zinc/03/86/79/1005038679.db2.gz PMLVDNQWOQVJKG-UHFFFAOYSA-N -1 3 410.451 3.783 20 0 HHADHM O=C(N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F)c1cc(F)cc2n[n-]nc21 ZINC000502373239 1005042731 /nfs/dbraw/zinc/04/27/31/1005042731.db2.gz LVDGAGAIPOVFEX-ZDUSSCGKSA-N -1 3 404.270 3.732 20 0 HHADHM O=S(=O)([N-]c1ccc(-n2nccc2C(F)(F)F)cc1)c1ccc2c(c1)CCO2 ZINC000511210368 1005075796 /nfs/dbraw/zinc/07/57/96/1005075796.db2.gz VLSKREMCJPGWNS-UHFFFAOYSA-N -1 3 409.389 3.627 20 0 HHADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(-n3nccc3C(F)(F)F)cc2)cc1 ZINC000511262306 1005096556 /nfs/dbraw/zinc/09/65/56/1005096556.db2.gz RXYNNTWYRYVDKA-UHFFFAOYSA-N -1 3 424.404 3.650 20 0 HHADHM Cc1noc(C)c1[C@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000513776605 1005121912 /nfs/dbraw/zinc/12/19/12/1005121912.db2.gz IGZKLVDNUUMBMW-SECBINFHSA-N -1 3 419.425 3.814 20 0 HHADHM CC(C)[C@H](NC(=O)c1cncc([N-]S(C)(=O)=O)c1)c1ccc(C(F)(F)F)cc1 ZINC000502587399 1005129586 /nfs/dbraw/zinc/12/95/86/1005129586.db2.gz JBDAHGBTACZQNV-INIZCTEOSA-N -1 3 415.437 3.599 20 0 HHADHM Cc1cccc(CS(=O)(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c1 ZINC000513835187 1005151744 /nfs/dbraw/zinc/15/17/44/1005151744.db2.gz IQPIUTZWTYQREV-UHFFFAOYSA-N -1 3 422.934 3.535 20 0 HHADHM COc1ccc(CCCC(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)c(OC)c1 ZINC000513852722 1005158964 /nfs/dbraw/zinc/15/89/64/1005158964.db2.gz LRPSDPHVZXECMO-UHFFFAOYSA-N -1 3 407.470 3.724 20 0 HHADHM Cc1nc(C)c(CCC(=O)Nc2cccc(COCCOc3ccccc3)c2)c(=O)[n-]1 ZINC000502688041 1005180297 /nfs/dbraw/zinc/18/02/97/1005180297.db2.gz VFNIZWHVOKBKCB-UHFFFAOYSA-N -1 3 421.497 3.966 20 0 HHADHM COc1cc(C(=O)NCCCc2ccc(Br)cc2F)cc(OC)c1[O-] ZINC000513960364 1005203651 /nfs/dbraw/zinc/20/36/51/1005203651.db2.gz GNJMIBISHBOKQV-UHFFFAOYSA-N -1 3 412.255 3.674 20 0 HHADHM CCC(CC)(CNC(=O)c1cc(F)cc2n[n-]nc21)c1ccc(OC)c(OC)c1 ZINC000502804976 1005225073 /nfs/dbraw/zinc/22/50/73/1005225073.db2.gz GDHRBWTXBBGXNN-UHFFFAOYSA-N -1 3 400.454 3.602 20 0 HHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000514206666 1005312707 /nfs/dbraw/zinc/31/27/07/1005312707.db2.gz SBCVYKWQJGGEQU-INIZCTEOSA-N -1 3 420.435 3.676 20 0 HHADHM CC1CCN(S(=O)(=O)Cc2ccccc2CNCc2c(F)ccc([O-])c2F)CC1 ZINC000511788156 1005327998 /nfs/dbraw/zinc/32/79/98/1005327998.db2.gz SZVAMXPWUGTVEL-UHFFFAOYSA-N -1 3 424.513 3.522 20 0 HHADHM CC[C@H](C)c1ccc([C@@H](NC(=O)C[N-]S(=O)(=O)c2c(C)noc2C)C(C)C)cc1 ZINC000503095881 1005346150 /nfs/dbraw/zinc/34/61/50/1005346150.db2.gz VQNOTTOETMFLKZ-XOBRGWDASA-N -1 3 421.563 3.597 20 0 HHADHM O=C(Cc1ccccc1)Nc1cc(NC(=O)c2cc(F)cc3n[n-]nc32)ccc1F ZINC000503157772 1005359070 /nfs/dbraw/zinc/35/90/70/1005359070.db2.gz IXULRCMKWXVKAM-UHFFFAOYSA-N -1 3 407.380 3.670 20 0 HHADHM COc1ccc(C[C@H](C)CN(C)C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)cc1 ZINC000503231127 1005373036 /nfs/dbraw/zinc/37/30/36/1005373036.db2.gz LRSMVZLJMGMNMW-ZDUSSCGKSA-N -1 3 400.425 3.766 20 0 HHADHM O=C(Nc1nc2ccc(OCC(F)(F)F)cc2s1)c1cc(F)cc2n[n-]nc21 ZINC000503340971 1005393864 /nfs/dbraw/zinc/39/38/64/1005393864.db2.gz HSDKMCODLDYCCH-UHFFFAOYSA-N -1 3 411.340 3.900 20 0 HHADHM Cc1cc(C)c(-c2csc(NC(=O)c3cncc([N-]S(C)(=O)=O)c3)n2)cc1C ZINC000503348725 1005395329 /nfs/dbraw/zinc/39/53/29/1005395329.db2.gz VQSBUWHADJJQJJ-UHFFFAOYSA-N -1 3 416.528 3.754 20 0 HHADHM COC(=O)c1sc2[n-]c(CN[C@@]3(c4ccc(Cl)cc4)C[C@@H]3C)nc(=O)c2c1C ZINC000503377187 1005402357 /nfs/dbraw/zinc/40/23/57/1005402357.db2.gz NFBMJZNGAYZMKI-FVINQWEUSA-N -1 3 417.918 3.758 20 0 HHADHM CS(=O)(=O)[N-]c1cncc(C(=O)Nc2cccc(Cl)c2SCC(F)F)c1 ZINC000503425665 1005416704 /nfs/dbraw/zinc/41/67/04/1005416704.db2.gz XRUHDJAUFMWTIY-UHFFFAOYSA-N -1 3 421.878 3.716 20 0 HHADHM COc1ccc(-c2nc(C)c(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)s2)c(F)c1 ZINC000503441142 1005421347 /nfs/dbraw/zinc/42/13/47/1005421347.db2.gz DRMMWIFNJXNGJA-UHFFFAOYSA-N -1 3 410.434 3.699 20 0 HHADHM COc1ccc(-c2nc(C)c(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)s2)c(F)c1 ZINC000503441142 1005421350 /nfs/dbraw/zinc/42/13/50/1005421350.db2.gz DRMMWIFNJXNGJA-UHFFFAOYSA-N -1 3 410.434 3.699 20 0 HHADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@H]1C[C@@H]1c1cccc(F)c1 ZINC000503463891 1005428261 /nfs/dbraw/zinc/42/82/61/1005428261.db2.gz 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O=S(=O)([N-]CCCOCCOCc1ccccc1)c1cccc(Cl)c1Cl ZINC000503862747 1005502279 /nfs/dbraw/zinc/50/22/79/1005502279.db2.gz QOAVIBRDPVVCLO-UHFFFAOYSA-N -1 3 418.342 3.895 20 0 HHADHM O=S(=O)([N-]CC[C@H]1CCCCO1)c1ccc(Br)cc1C(F)(F)F ZINC000503959465 1005519501 /nfs/dbraw/zinc/51/95/01/1005519501.db2.gz CKXJOTHDBNJYIB-LLVKDONJSA-N -1 3 416.259 3.705 20 0 HHADHM CCC(=O)c1cccc(S(=O)(=O)[N-][C@@H](c2ccc(OC)cc2)C(F)(F)F)c1 ZINC000503965526 1005521388 /nfs/dbraw/zinc/52/13/88/1005521388.db2.gz XGVLTHLFHHXFCG-KRWDZBQOSA-N -1 3 401.406 3.870 20 0 HHADHM O=C(COc1ccc(Cl)cc1C1CCCCC1)N1CCc2c(=O)[n-]cnc2C1 ZINC000504138544 1005559973 /nfs/dbraw/zinc/55/99/73/1005559973.db2.gz MKLUJVNBDLWIPA-UHFFFAOYSA-N -1 3 401.894 3.847 20 0 HHADHM CS(=O)(=O)[N-]c1cncc(-c2nc(-c3ccc(COc4ccccc4)cc3)no2)c1 ZINC000504268463 1005586165 /nfs/dbraw/zinc/58/61/65/1005586165.db2.gz VZYPLUMCMATHSG-UHFFFAOYSA-N -1 3 422.466 3.749 20 0 HHADHM O=C(NCCc1cc(F)c(F)c(F)c1)NCc1ccc([O-])c(Br)c1 ZINC000504308244 1005594005 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20 0 HHADHM CC(=O)N[C@H](CC(=O)Nc1cc(Br)ccc1[O-])c1ccc(F)cc1F ZINC000531492720 1006230037 /nfs/dbraw/zinc/23/00/37/1006230037.db2.gz MCQGHYBOXKAFLJ-CQSZACIVSA-N -1 3 413.218 3.639 20 0 HHADHM Cc1c(C(=O)[N-]c2c3ccccc3oc2C(=O)N2CCOCC2)oc2c1C(=O)CCC2 ZINC000515054020 1006269530 /nfs/dbraw/zinc/26/95/30/1006269530.db2.gz NQUVTJUQQYMQHN-UHFFFAOYSA-N -1 3 422.437 3.578 20 0 HHADHM O=C(CNC(=O)c1ccc([O-])cc1)N[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000534338019 1006307011 /nfs/dbraw/zinc/30/70/11/1006307011.db2.gz JCXHBYGZCKUITK-WMZOPIPTSA-N -1 3 406.404 3.593 20 0 HHADHM O=C(CNC(=O)c1ccc([O-])cc1)N1CCC(c2ccccc2C(F)(F)F)CC1 ZINC000531639358 1006320460 /nfs/dbraw/zinc/32/04/60/1006320460.db2.gz DKKMODLUWORRIY-UHFFFAOYSA-N -1 3 406.404 3.547 20 0 HHADHM CCCC[C@H]([N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)OC)c1ccc(OC)cc1 ZINC000515254384 1006363759 /nfs/dbraw/zinc/36/37/59/1006363759.db2.gz CNMQRRHMXLNDFS-KRWDZBQOSA-N -1 3 409.504 3.901 20 0 HHADHM CC[C@@H]([N-]S(=O)(=O)c1cc(F)c(C)cc1F)[C@H](c1ccc(C)cc1)n1cncn1 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/nfs/dbraw/zinc/56/65/08/1006566508.db2.gz ULOBKAMXLOPNMM-AWEZNQCLSA-N -1 3 403.482 3.648 20 0 HHADHM CCCCc1nc2cc([N-]S(=O)(=O)c3ccc(F)c(NC(C)=O)c3)ccc2[nH]1 ZINC000532037497 1006592636 /nfs/dbraw/zinc/59/26/36/1006592636.db2.gz COTMPNBEIVWBSZ-UHFFFAOYSA-N -1 3 404.467 3.804 20 0 HHADHM CC(C)(C)OC1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CC1 ZINC000532092659 1006627758 /nfs/dbraw/zinc/62/77/58/1006627758.db2.gz XLNWGWITRAHAQQ-UHFFFAOYSA-N -1 3 407.308 3.710 20 0 HHADHM COc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC000534709298 1006697006 /nfs/dbraw/zinc/69/70/06/1006697006.db2.gz JZUJEIKJKFJCPF-UHFFFAOYSA-N -1 3 404.879 3.674 20 0 HHADHM C[C@@H]1CC[C@H](NC(=O)c2c[n-]c3ccc(I)cc3c2=O)[C@H](C)C1 ZINC000515887112 1006739173 /nfs/dbraw/zinc/73/91/73/1006739173.db2.gz FHPJJGGKNFQGDI-HFAKWTLXSA-N -1 3 424.282 3.687 20 0 HHADHM CC(C)[C@@H](c1noc(-c2cncc([N-]S(C)(=O)=O)c2)n1)c1ccc(Cl)cc1 ZINC000515917332 1006760770 /nfs/dbraw/zinc/76/07/70/1006760770.db2.gz BTJWXYIFCFDSEE-MRXNPFEDSA-N -1 3 406.895 3.944 20 0 HHADHM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC[C@H]3C)cc2C)cc1 ZINC000532327670 1006795783 /nfs/dbraw/zinc/79/57/83/1006795783.db2.gz NNHDKFJLMZTCAH-QGZVFWFLSA-N -1 3 416.543 3.890 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1OC ZINC000515998086 1006819218 /nfs/dbraw/zinc/81/92/18/1006819218.db2.gz QRPNNAOMZXUTLU-VXGBXAGGSA-N -1 3 408.442 3.764 20 0 HHADHM CCOc1ccc(SCC(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)cc1 ZINC000515999603 1006820217 /nfs/dbraw/zinc/82/02/17/1006820217.db2.gz GTQGPABSVZGHLK-UHFFFAOYSA-N -1 3 424.544 3.586 20 0 HHADHM CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)CSc2nc3nncc-3c(O)[n-]2)cc1 ZINC000532404776 1006847508 /nfs/dbraw/zinc/84/75/08/1006847508.db2.gz HZZDOHFBEGVZBK-INIZCTEOSA-N -1 3 411.531 3.812 20 0 HHADHM CCn1c(CCNC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)nc2ccccc21 ZINC000532439062 1006881465 /nfs/dbraw/zinc/88/14/65/1006881465.db2.gz QGVPJWKSKUOSKN-UHFFFAOYSA-N -1 3 416.485 3.891 20 0 HHADHM CC[C@@H](C)n1ncc(C(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)c1C1CC1 ZINC000534877891 1006905911 /nfs/dbraw/zinc/90/59/11/1006905911.db2.gz KETQMXUUQVPPIQ-CYBMUJFWSA-N -1 3 420.535 3.754 20 0 HHADHM COc1cc(F)c(S(=O)(=O)[N-]c2cc(C)ccc2Br)cc1OC ZINC000534901678 1006933492 /nfs/dbraw/zinc/93/34/92/1006933492.db2.gz XCJXVUDCWBHDIG-UHFFFAOYSA-N -1 3 404.257 3.715 20 0 HHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000534944506 1006986343 /nfs/dbraw/zinc/98/63/43/1006986343.db2.gz BNYIMAJTRXCZFL-DOTOQJQBSA-N -1 3 402.926 3.617 20 0 HHADHM CCCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2CC)cc1F ZINC000534971071 1007026971 /nfs/dbraw/zinc/02/69/71/1007026971.db2.gz IGTLVAVOIDLNQQ-UHFFFAOYSA-N -1 3 414.524 3.649 20 0 HHADHM CCCCCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)[C@@H](C)O3)cc1 ZINC000516344371 1007030908 /nfs/dbraw/zinc/03/09/08/1007030908.db2.gz PRUIOKAOJNWSRN-CQSZACIVSA-N -1 3 404.488 3.776 20 0 HHADHM CCc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)c1O ZINC000538789133 1007071685 /nfs/dbraw/zinc/07/16/85/1007071685.db2.gz HEGXONNBYHDCFK-UHFFFAOYSA-N -1 3 402.394 3.597 20 0 HHADHM COc1cc2c(cc1F)[n-]cc(C(=O)Nc1ccc3c(c1)OC1(CCCC1)O3)c2=O ZINC000538833963 1007106459 /nfs/dbraw/zinc/10/64/59/1007106459.db2.gz IWMXQOPSKXGIIJ-UHFFFAOYSA-N -1 3 410.401 3.970 20 0 HHADHM CC1CCC(N(C)C(=O)c2c[n-]c3ccc(I)cc3c2=O)CC1 ZINC000532725010 1007134828 /nfs/dbraw/zinc/13/48/28/1007134828.db2.gz GPRONERUYHCOTH-UHFFFAOYSA-N -1 3 424.282 3.783 20 0 HHADHM O=C(NC1CCCCCC1)c1c[n-]c2ccc(I)cc2c1=O ZINC000532724822 1007134854 /nfs/dbraw/zinc/13/48/54/1007134854.db2.gz GWOMXDSHGGCUFR-UHFFFAOYSA-N -1 3 410.255 3.585 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C2(c3ccc(Cl)cc3)CC2)cc1OC ZINC000516528991 1007137770 /nfs/dbraw/zinc/13/77/70/1007137770.db2.gz IJYVXPYAGHLBPJ-UHFFFAOYSA-N -1 3 408.907 3.781 20 0 HHADHM CC1CCC(C)(NC(=O)c2c[n-]c3ccc(I)cc3c2=O)CC1 ZINC000532733849 1007143489 /nfs/dbraw/zinc/14/34/89/1007143489.db2.gz LNOUSLLBPWQKRZ-UHFFFAOYSA-N -1 3 424.282 3.831 20 0 HHADHM COc1ccc(-c2nc(C(=O)[N-]c3nc4ccc(Cl)cn4n3)cs2)cc1OC ZINC000532795395 1007187121 /nfs/dbraw/zinc/18/71/21/1007187121.db2.gz DWMCAGBYGKBEKI-UHFFFAOYSA-N -1 3 415.862 3.776 20 0 HHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)c2c[nH]nc2-c2ccccc2)CC1 ZINC000532836951 1007219409 /nfs/dbraw/zinc/21/94/09/1007219409.db2.gz KHWVWCOSCQWLCJ-UHFFFAOYSA-N -1 3 424.888 3.927 20 0 HHADHM Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Cl)cc3[O-])CC2)c(C)c1 ZINC000532836917 1007219720 /nfs/dbraw/zinc/21/97/20/1007219720.db2.gz JRAOJLOZTLSVGH-UHFFFAOYSA-N -1 3 422.934 3.702 20 0 HHADHM Cc1c(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)cnn1C(C)(C)C ZINC000532838196 1007221718 /nfs/dbraw/zinc/22/17/18/1007221718.db2.gz SPSPXTNIOKPHLC-UHFFFAOYSA-N -1 3 418.925 3.796 20 0 HHADHM CC(=O)N(Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)cc1)C(C)C ZINC000538939385 1007222373 /nfs/dbraw/zinc/22/23/73/1007222373.db2.gz UQTFLCNELSCOHL-UHFFFAOYSA-N -1 3 402.516 3.569 20 0 HHADHM COCCOCCS(=O)(=O)[N-]c1ccc(Sc2ccccc2)c(Cl)c1 ZINC000532848371 1007235053 /nfs/dbraw/zinc/23/50/53/1007235053.db2.gz IFGCCYBKTWDGAS-UHFFFAOYSA-N -1 3 401.937 3.896 20 0 HHADHM Cc1ncc(S(=O)(=O)[N-]Cc2cc(Cl)cc(Cl)c2OC(F)F)s1 ZINC000532855185 1007243512 /nfs/dbraw/zinc/24/35/12/1007243512.db2.gz NESDSXKAOJIFNG-UHFFFAOYSA-N -1 3 403.259 3.838 20 0 HHADHM C[C@@H](Oc1ccc(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)cn1)c1ccccc1 ZINC000532864896 1007253097 /nfs/dbraw/zinc/25/30/97/1007253097.db2.gz GIMYHHWAVDEGAL-OAHLLOKOSA-N -1 3 400.442 3.578 20 0 HHADHM C[C@@H](Oc1ccc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)cn1)c1ccccc1 ZINC000532864896 1007253106 /nfs/dbraw/zinc/25/31/06/1007253106.db2.gz GIMYHHWAVDEGAL-OAHLLOKOSA-N -1 3 400.442 3.578 20 0 HHADHM CN(C)CCN(CC(=O)[O-])C(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)cc1 ZINC000532871922 1007259443 /nfs/dbraw/zinc/25/94/43/1007259443.db2.gz KHXDJJFMPITIGA-UHFFFAOYSA-N -1 3 412.530 3.652 20 0 HHADHM [O-]C(=COc1ccccc1OCc1ccccc1)Nc1nc(-c2cccnc2)ns1 ZINC000535231759 1007285256 /nfs/dbraw/zinc/28/52/56/1007285256.db2.gz UPYHOVSPLWBVQO-UHFFFAOYSA-N -1 3 418.478 3.619 20 0 HHADHM C[C@@H]1CCC[C@@H](CNC(=O)c2c[n-]c3ccc(I)cc3c2=O)C1 ZINC000539002831 1007301237 /nfs/dbraw/zinc/30/12/37/1007301237.db2.gz KLMGHAAJYRJALY-VXGBXAGGSA-N -1 3 424.282 3.689 20 0 HHADHM COC(=O)c1sc2[n-]c(CN(Cc3ccccc3F)C(C)C)nc(=O)c2c1C ZINC000532929756 1007303346 /nfs/dbraw/zinc/30/33/46/1007303346.db2.gz WJNXOEVFHPLAFR-UHFFFAOYSA-N -1 3 403.479 3.629 20 0 HHADHM CC[C@H]1CCCN(C(=O)c2c[n-]c3ccc(I)cc3c2=O)CC1 ZINC000539028512 1007325769 /nfs/dbraw/zinc/32/57/69/1007325769.db2.gz VODQLZFXMJKCLY-LBPRGKRZSA-N -1 3 424.282 3.785 20 0 HHADHM CCCC[C@@H]([N-]S(=O)(=O)c1ccc(C)o1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000539107319 1007394159 /nfs/dbraw/zinc/39/41/59/1007394159.db2.gz QDRXGCZBPLEVBK-LJQANCHMSA-N -1 3 419.547 3.664 20 0 HHADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000517089183 1007402772 /nfs/dbraw/zinc/40/27/72/1007402772.db2.gz KCZHZZFMPQEEHT-SNVBAGLBSA-N -1 3 409.667 3.800 20 0 HHADHM COc1cc(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)sc1Br ZINC000535366793 1007426395 /nfs/dbraw/zinc/42/63/95/1007426395.db2.gz JIZYEQLMQNLUAS-UHFFFAOYSA-N -1 3 420.288 3.830 20 0 HHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000533148502 1007486279 /nfs/dbraw/zinc/48/62/79/1007486279.db2.gz PXWATCKOLMMKJT-LJQANCHMSA-N -1 3 413.905 3.502 20 0 HHADHM C[C@H](Oc1ccc(F)cc1)C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000533159273 1007497904 /nfs/dbraw/zinc/49/79/04/1007497904.db2.gz RFCSTDVVJNJCCW-ZDUSSCGKSA-N -1 3 420.868 3.829 20 0 HHADHM C[C@H](Sc1ncccc1C(=O)Nc1cc(Cl)ccc1[O-])C(=O)N1CCCC1 ZINC000535439122 1007500744 /nfs/dbraw/zinc/50/07/44/1007500744.db2.gz AOYVKZQFDIIGFR-LBPRGKRZSA-N -1 3 405.907 3.796 20 0 HHADHM COC(=O)C(C)(C)CS(=O)(=O)[N-]c1cccc(OCc2ccc(Cl)cc2)c1 ZINC000517257363 1007520251 /nfs/dbraw/zinc/52/02/51/1007520251.db2.gz LKQOUYGAUWSENN-UHFFFAOYSA-N -1 3 411.907 3.860 20 0 HHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCCc3cscn3)c2)cc1 ZINC000533193933 1007529230 /nfs/dbraw/zinc/52/92/30/1007529230.db2.gz HPRWHRFDBALUDX-UHFFFAOYSA-N -1 3 415.540 3.533 20 0 HHADHM CO[C@@H](c1ccccc1F)[C@H](C)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000539384209 1007688318 /nfs/dbraw/zinc/68/83/18/1007688318.db2.gz HARKCZBWJZKNDG-LKFCYVNXSA-N -1 3 408.314 3.704 20 0 HHADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(-n3ncc4ccccc43)cc2)cc1 ZINC000539399390 1007707460 /nfs/dbraw/zinc/70/74/60/1007707460.db2.gz YSVGYAIJUXDKHI-UHFFFAOYSA-N -1 3 406.467 3.785 20 0 HHADHM CCOc1c(Cl)cc(C(=O)Nc2nc3c(cccc3C(=O)OC)[n-]2)cc1OC ZINC000533469055 1007779006 /nfs/dbraw/zinc/77/90/06/1007779006.db2.gz MPIHKILLDJSKQI-UHFFFAOYSA-N -1 3 403.822 3.663 20 0 HHADHM Cc1cc(C)cc(N2CC[C@H](C(=O)Nc3ccc(Br)cc3[O-])C2=O)c1 ZINC000517586434 1007788895 /nfs/dbraw/zinc/78/88/95/1007788895.db2.gz VWYNCHBQCYTKQB-OAHLLOKOSA-N -1 3 403.276 3.763 20 0 HHADHM O=C(Nc1ccc(Br)cc1[O-])[C@H]1CCCN1c1ncnc2ccccc21 ZINC000533546452 1007866162 /nfs/dbraw/zinc/86/61/62/1007866162.db2.gz YKWFTTBSLPDPDL-MRXNPFEDSA-N -1 3 413.275 3.705 20 0 HHADHM CN(C(=O)c1ccc2c(c1)C(=O)[N-]C2=O)[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000539578021 1007893441 /nfs/dbraw/zinc/89/34/41/1007893441.db2.gz CSUVPIMRPWCBSA-YJBOKZPZSA-N -1 3 416.399 3.997 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)Nc1nc(CC(C)(C)C)cs1 ZINC000539579809 1007896284 /nfs/dbraw/zinc/89/62/84/1007896284.db2.gz LMBYKTNNCWXBER-UHFFFAOYSA-N -1 3 411.531 3.757 20 0 HHADHM COC(=O)CCSc1cccc([N-]S(=O)(=O)c2cc(C)c(OC)c(C)c2)c1 ZINC000535890938 1007909523 /nfs/dbraw/zinc/90/95/23/1007909523.db2.gz GQRJKLJBLHNARG-UHFFFAOYSA-N -1 3 409.529 3.768 20 0 HHADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000533615873 1007917645 /nfs/dbraw/zinc/91/76/45/1007917645.db2.gz POFNXVCLBBEEST-ZDUSSCGKSA-N -1 3 409.667 3.800 20 0 HHADHM COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000533618584 1007920330 /nfs/dbraw/zinc/92/03/30/1007920330.db2.gz VAXHPTKKPUPWDE-HNNXBMFYSA-N -1 3 408.907 3.544 20 0 HHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)[C@@H]2Cc3ccccc3S2)CC1 ZINC000533619003 1007921165 /nfs/dbraw/zinc/92/11/65/1007921165.db2.gz VQRUVUSYIWUMQS-IBGZPJMESA-N -1 3 416.930 3.940 20 0 HHADHM COc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc(Cl)c1OCC(C)C ZINC000517811812 1007986116 /nfs/dbraw/zinc/98/61/16/1007986116.db2.gz MOCVIZMMCWAEJR-UHFFFAOYSA-N -1 3 401.854 3.816 20 0 HHADHM COc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc(Cl)c1OCC(C)C ZINC000517811812 1007986125 /nfs/dbraw/zinc/98/61/25/1007986125.db2.gz MOCVIZMMCWAEJR-UHFFFAOYSA-N -1 3 401.854 3.816 20 0 HHADHM CC[C@H](CCO)NC(=O)c1ccc(C)c([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000533699425 1008023056 /nfs/dbraw/zinc/02/30/56/1008023056.db2.gz MNASVGWXJVSNRZ-LJQANCHMSA-N -1 3 418.559 3.612 20 0 HHADHM Cc1cc(NC(=O)Cc2c(C)nc(C)[n-]c2=O)nn1-c1ccc(Cl)cc1Cl ZINC000539710896 1008028357 /nfs/dbraw/zinc/02/83/57/1008028357.db2.gz NOVSUNFKSPFFLJ-UHFFFAOYSA-N -1 3 406.273 3.781 20 0 HHADHM CC[C@H](C)C(=O)Nc1cccc(C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)c1 ZINC000517964958 1008074967 /nfs/dbraw/zinc/07/49/67/1008074967.db2.gz BYIUNWRNGZOOOG-NSHDSACASA-N -1 3 400.422 3.567 20 0 HHADHM COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)[N-][C@H](CC(C)(C)C)C(F)(F)F ZINC000539768218 1008086297 /nfs/dbraw/zinc/08/62/97/1008086297.db2.gz OIYAXDKGPJFRRU-OAHLLOKOSA-N -1 3 422.469 3.689 20 0 HHADHM O=c1cc(C(F)(F)F)nc(C[S@](=O)Cc2ncc(-c3cccc(Cl)c3)o2)[n-]1 ZINC000533787423 1008110326 /nfs/dbraw/zinc/11/03/26/1008110326.db2.gz FIPPEMPNRDJWNG-MHZLTWQESA-N -1 3 417.796 3.958 20 0 HHADHM O=c1cc(C(F)(F)F)nc(C[S@](=O)Cc2coc(-c3cccc(Cl)c3)n2)[n-]1 ZINC000533788485 1008111953 /nfs/dbraw/zinc/11/19/53/1008111953.db2.gz KCGRMFIONUHMIQ-HHHXNRCGSA-N -1 3 417.796 3.958 20 0 HHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)CCc1cc(Br)ccc1F ZINC000536089691 1008112443 /nfs/dbraw/zinc/11/24/43/1008112443.db2.gz WKZGSKPZXWESRC-UHFFFAOYSA-N -1 3 415.284 3.531 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC(c3ccccc3)CC2)c1 ZINC000536093269 1008115258 /nfs/dbraw/zinc/11/52/58/1008115258.db2.gz VUDWOWKSLNXNIB-UHFFFAOYSA-N -1 3 405.454 3.961 20 0 HHADHM O=c1cc(C(F)(F)F)nc(CS(=O)(=O)C(c2ccccc2)c2ccccc2)[n-]1 ZINC000533794879 1008115979 /nfs/dbraw/zinc/11/59/79/1008115979.db2.gz ZNNQOPPSGGVWHV-UHFFFAOYSA-N -1 3 408.401 3.905 20 0 HHADHM CCc1ccc([O-])c(C(=O)N(CC(N)=O)Cc2ccc(OCc3ccccc3)cc2)c1 ZINC000539845104 1008135206 /nfs/dbraw/zinc/13/52/06/1008135206.db2.gz UKNDTZUEKIPDRG-UHFFFAOYSA-N -1 3 418.493 3.661 20 0 HHADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1ccc(-n2ccnc2)nn1 ZINC000539875409 1008154988 /nfs/dbraw/zinc/15/49/88/1008154988.db2.gz RBAIGLGGAMYGPT-UHFFFAOYSA-N -1 3 414.450 3.897 20 0 HHADHM CCc1ccc([O-])c(C(=O)N[C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)c1 ZINC000539877374 1008156086 /nfs/dbraw/zinc/15/60/86/1008156086.db2.gz LVNGFNSKADIXQB-QFIPXVFZSA-N -1 3 409.507 3.878 20 0 HHADHM Cc1nc(COc2ccc([N-]S(=O)(=O)c3ccc(OCC(C)C)cc3)cc2)no1 ZINC000518117690 1008168063 /nfs/dbraw/zinc/16/80/63/1008168063.db2.gz VKTBMHPHQAQWTG-UHFFFAOYSA-N -1 3 417.487 3.793 20 0 HHADHM CCOC(=O)c1[n-]cnc1NC(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C ZINC000539954710 1008204031 /nfs/dbraw/zinc/20/40/31/1008204031.db2.gz QDJQPXIJRSYDHX-UHFFFAOYSA-N -1 3 418.457 3.831 20 0 HHADHM CCOC(=O)c1nc[n-]c1NC(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C ZINC000539954710 1008204033 /nfs/dbraw/zinc/20/40/33/1008204033.db2.gz QDJQPXIJRSYDHX-UHFFFAOYSA-N -1 3 418.457 3.831 20 0 HHADHM O=C(c1ccc(Cl)cc1NCc1nc(C(F)(F)F)cc(=O)[n-]1)N1CCCC1 ZINC000539957946 1008205629 /nfs/dbraw/zinc/20/56/29/1008205629.db2.gz UTXHKPSGDIENME-UHFFFAOYSA-N -1 3 400.788 3.703 20 0 HHADHM COc1ccc(-n2nc(C(=O)Nc3ccc(Br)cc3[O-])cc2C)cc1 ZINC000539994502 1008225540 /nfs/dbraw/zinc/22/55/40/1008225540.db2.gz YEUWVFQUNRYADR-UHFFFAOYSA-N -1 3 402.248 3.910 20 0 HHADHM O=C(Nc1ccccc1)[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)CCCO2)c1ccccc1 ZINC000540038536 1008250770 /nfs/dbraw/zinc/25/07/70/1008250770.db2.gz INSBVFOUZFITDJ-QFIPXVFZSA-N -1 3 422.506 3.670 20 0 HHADHM O=S(=O)([N-][C@H](c1ccccc1)[C@@H]1CCOC1)c1cc(Br)ccc1F ZINC000540071216 1008270810 /nfs/dbraw/zinc/27/08/10/1008270810.db2.gz MKNVULYNDGTNIG-CXAGYDPISA-N -1 3 414.296 3.644 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@H](C)CSc2ccccc2)cc1OC ZINC000518387221 1008284857 /nfs/dbraw/zinc/28/48/57/1008284857.db2.gz AIOPIEUXBAFYHO-CQSZACIVSA-N -1 3 408.545 3.824 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCc3cc(Cl)c(Cl)cc3[C@H]2C)c(C)o1 ZINC000540132812 1008304915 /nfs/dbraw/zinc/30/49/15/1008304915.db2.gz KDPONNOTPZFMHT-SECBINFHSA-N -1 3 417.314 3.562 20 0 HHADHM COC(=O)Cc1cccc(S(=O)(=O)[N-]c2cccc3c2CN([C@H](C)C(C)C)C3)c1 ZINC000518451767 1008312863 /nfs/dbraw/zinc/31/28/63/1008312863.db2.gz QFFSFKYGGGSSSF-MRXNPFEDSA-N -1 3 416.543 3.563 20 0 HHADHM CC(C)[C@H]1C[C@H](NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)CCO1 ZINC000540195444 1008330824 /nfs/dbraw/zinc/33/08/24/1008330824.db2.gz UPUABYHHTACGGA-OXQOHEQNSA-N -1 3 420.506 3.560 20 0 HHADHM Cc1cccc(O[C@@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)c1 ZINC000518583073 1008354505 /nfs/dbraw/zinc/35/45/05/1008354505.db2.gz KHPRMJMQAZBRIW-LBPRGKRZSA-N -1 3 416.421 3.791 20 0 HHADHM 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ZINC000540811015 1011471768 /nfs/dbraw/zinc/47/17/68/1011471768.db2.gz FKHBKQOXLWFALV-UHFFFAOYSA-N -1 3 411.527 3.831 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)c1cc(N2CCCC2=O)ccc1Cl ZINC000536320066 1011516351 /nfs/dbraw/zinc/51/63/51/1011516351.db2.gz LYCMEUYSWQTZMU-UHFFFAOYSA-N -1 3 423.694 3.865 20 0 HHADHM CCOC(=O)c1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)c([O-])c1 ZINC000536337675 1011540156 /nfs/dbraw/zinc/54/01/56/1011540156.db2.gz DNQXYGLIKIGVMI-SFHVURJKSA-N -1 3 424.497 3.677 20 0 HHADHM COCCC[C@@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000540895614 1011569956 /nfs/dbraw/zinc/56/99/56/1011569956.db2.gz UJXHXHFQUMRFQJ-MRXNPFEDSA-N -1 3 420.531 3.806 20 0 HHADHM CCc1cccc(C(=O)N2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)c1[O-] ZINC000540924776 1011589184 /nfs/dbraw/zinc/58/91/84/1011589184.db2.gz IDSHYEDLKOFHRH-KRWDZBQOSA-N -1 3 410.518 3.826 20 0 HHADHM CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)cc1 ZINC000523129006 1011597624 /nfs/dbraw/zinc/59/76/24/1011597624.db2.gz DKSIYGBJSIYNGH-UHFFFAOYSA-N -1 3 416.952 3.991 20 0 HHADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C)cc1 ZINC000523129006 1011597635 /nfs/dbraw/zinc/59/76/35/1011597635.db2.gz DKSIYGBJSIYNGH-UHFFFAOYSA-N -1 3 416.952 3.991 20 0 HHADHM CCc1nc(CN(C)C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cs1 ZINC000540958467 1011600963 /nfs/dbraw/zinc/60/09/63/1011600963.db2.gz YHWGRXCDPDJHTF-FQEVSTJZSA-N -1 3 423.538 3.931 20 0 HHADHM COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)[N-]c1cc(F)c(F)cc1Cl ZINC000536415800 1011630670 /nfs/dbraw/zinc/63/06/70/1011630670.db2.gz FPPPKAXEVXHRRP-UHFFFAOYSA-N -1 3 416.833 3.776 20 0 HHADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000541045859 1011684713 /nfs/dbraw/zinc/68/47/13/1011684713.db2.gz YTVFQNMNSJZZGU-GOSISDBHSA-N -1 3 402.372 3.761 20 0 HHADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000541045860 1011685067 /nfs/dbraw/zinc/68/50/67/1011685067.db2.gz YTVFQNMNSJZZGU-SFHVURJKSA-N -1 3 402.372 3.761 20 0 HHADHM CC(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc(OC(F)(F)F)cc3)ccc21 ZINC000523337398 1011812883 /nfs/dbraw/zinc/81/28/83/1011812883.db2.gz CAEROOGDEGZGCZ-UHFFFAOYSA-N -1 3 414.405 3.685 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H](c2ccccc2)[C@H]2CCOC2)s1 ZINC000536758184 1011952125 /nfs/dbraw/zinc/95/21/25/1011952125.db2.gz XIPYKZHRKBWTOD-DZGCQCFKSA-N -1 3 416.362 3.875 20 0 HHADHM CN1CC[C@H](C[N-]S(=O)(=O)c2ccc(F)cc2F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000551801406 1011959772 /nfs/dbraw/zinc/95/97/72/1011959772.db2.gz XKJNKUFCBRODKO-KZULUSFZSA-N -1 3 418.868 3.729 20 0 HHADHM CC(C)Oc1ccc(NC(=O)C(=O)NCc2ccc([O-])c(F)c2)c(C(F)(F)F)c1 ZINC000523459259 1011961817 /nfs/dbraw/zinc/96/18/17/1011961817.db2.gz XOKSHOBHSAGCAO-UHFFFAOYSA-N -1 3 414.355 3.592 20 0 HHADHM O=c1[n-]nc(SCc2ccc(Br)c3cccnc23)n1C[C@H]1CCCO1 ZINC000541286251 1011982553 /nfs/dbraw/zinc/98/25/53/1011982553.db2.gz LJSAQEIIHKCPPE-GFCCVEGCSA-N -1 3 421.320 3.766 20 0 HHADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc3c2CN(CCC(C)C)C3)ccc1F ZINC000541290239 1011988762 /nfs/dbraw/zinc/98/87/62/1011988762.db2.gz JLNOKTCCMUFIIE-UHFFFAOYSA-N -1 3 419.522 3.947 20 0 HHADHM Cc1cc(NC(=O)NCc2ccc([O-])c(Br)c2)nn1-c1ccccc1 ZINC000536803375 1012025139 /nfs/dbraw/zinc/02/51/39/1012025139.db2.gz RZEMROGVZKBUDJ-UHFFFAOYSA-N -1 3 401.264 3.971 20 0 HHADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(COC3CCCC3)cc2)cc1 ZINC000523535828 1012068333 /nfs/dbraw/zinc/06/83/33/1012068333.db2.gz NNGWPDKYBJNBLY-UHFFFAOYSA-N -1 3 405.516 3.972 20 0 HHADHM Cc1n[nH]c(C)c1[C@@H](C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000541363070 1012078162 /nfs/dbraw/zinc/07/81/62/1012078162.db2.gz LOJPRZZKNODVEO-CQSZACIVSA-N -1 3 412.515 3.878 20 0 HHADHM CC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)Cc3ccccc3)c2)c1[O-] ZINC000552069870 1012086788 /nfs/dbraw/zinc/08/67/88/1012086788.db2.gz OAKSJZMLKUERFB-UHFFFAOYSA-N -1 3 409.463 3.821 20 0 HHADHM CC(=O)c1cccc(NC(=O)[C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(C)C)c1[O-] ZINC000552069866 1012086990 /nfs/dbraw/zinc/08/69/90/1012086990.db2.gz NVAKKOXQUBCCKM-XOQVKLMPSA-N -1 3 412.530 3.891 20 0 HHADHM COc1ccc(-c2nc(CC(=O)Nc3cccc(C(C)=O)c3[O-])cs2)cc1OC ZINC000552069249 1012087438 /nfs/dbraw/zinc/08/74/38/1012087438.db2.gz KYSOTCIJRUDICA-UHFFFAOYSA-N -1 3 412.467 3.917 20 0 HHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N(C)C[C@@H](C)c3nccs3)nc(=O)c2c1C ZINC000541379206 1012097494 /nfs/dbraw/zinc/09/74/94/1012097494.db2.gz CDNXBVUFGKGRKK-PWSUYJOCSA-N -1 3 420.560 3.723 20 0 HHADHM CS(=O)(=O)c1ccc(F)c([N-]C(=O)c2csc(-c3c(F)cccc3F)n2)c1 ZINC000523584235 1012135660 /nfs/dbraw/zinc/13/56/60/1012135660.db2.gz LZAAUOLAKRJYMS-UHFFFAOYSA-N -1 3 412.414 3.883 20 0 HHADHM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1)c1ccc(OC)cc1 ZINC000552210068 1012222501 /nfs/dbraw/zinc/22/25/01/1012222501.db2.gz KUNJKIKOLSKNNK-OAQYLSRUSA-N -1 3 411.479 3.555 20 0 HHADHM O=C(NCCc1ccccc1Cl)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000523650888 1012244168 /nfs/dbraw/zinc/24/41/68/1012244168.db2.gz BMPAFRPLESRPFM-UHFFFAOYSA-N -1 3 405.679 3.917 20 0 HHADHM CC(C)(C)[C@@H]1CCN(C(=O)c2c[n-]c3ccc(I)cc3c2=O)C1 ZINC000541484921 1012256757 /nfs/dbraw/zinc/25/67/57/1012256757.db2.gz HZBAQYAYHZUIGU-LLVKDONJSA-N -1 3 424.282 3.641 20 0 HHADHM Cc1ncc(CNC(=O)N[C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)c(=O)[n-]1 ZINC000541491540 1012266914 /nfs/dbraw/zinc/26/69/14/1012266914.db2.gz PZAQZCJDRXPDRK-MRXNPFEDSA-N -1 3 413.478 3.630 20 0 HHADHM CC(=O)Nc1cc(C)c(S(=O)(=O)[N-]c2cccc(F)c2F)cc1Br ZINC000537037448 1012354159 /nfs/dbraw/zinc/35/41/59/1012354159.db2.gz JIULLURAAAUTPG-UHFFFAOYSA-N -1 3 419.247 3.795 20 0 HHADHM CCCCN(CCCO)Cc1nc(=O)c2sc(-c3ccc(OC)cc3)cc2[n-]1 ZINC000537125933 1012509288 /nfs/dbraw/zinc/50/92/88/1012509288.db2.gz NZKMOTSCEJMBFV-UHFFFAOYSA-N -1 3 401.532 3.645 20 0 HHADHM COc1ccc([O-])c(C(=O)Nc2cccc(CS(=O)(=O)Cc3ccccc3)c2)c1 ZINC000523934962 1012665676 /nfs/dbraw/zinc/66/56/76/1012665676.db2.gz KAXHNOHFOGOTOQ-UHFFFAOYSA-N -1 3 411.479 3.768 20 0 HHADHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc2ccccc2c1)c1nc(-c2ccncc2)no1 ZINC000523977206 1012722551 /nfs/dbraw/zinc/72/25/51/1012722551.db2.gz FQCARFAZCHSHLL-IBGZPJMESA-N -1 3 408.483 3.960 20 0 HHADHM CCOC(=O)c1cc(NC(=O)c2cn(C(C)(C)C)nc2-c2ccc(F)cc2F)[n-]n1 ZINC000541904757 1012764421 /nfs/dbraw/zinc/76/44/21/1012764421.db2.gz GGESVLNUZBHJEE-UHFFFAOYSA-N -1 3 417.416 3.735 20 0 HHADHM CCOC(=O)c1cc(NC(=O)c2cn(C(C)(C)C)nc2-c2ccc(F)cc2F)n[n-]1 ZINC000541904757 1012764437 /nfs/dbraw/zinc/76/44/37/1012764437.db2.gz GGESVLNUZBHJEE-UHFFFAOYSA-N -1 3 417.416 3.735 20 0 HHADHM CCOC(=O)c1cc(NC(=O)[C@@H](C)Sc2ccnc3cc(Cl)ccc32)[n-]n1 ZINC000541904232 1012764940 /nfs/dbraw/zinc/76/49/40/1012764940.db2.gz MFHAZEOAFBHMSJ-SNVBAGLBSA-N -1 3 404.879 3.907 20 0 HHADHM CCOC(=O)c1cc(NC(=O)[C@@H](C)Sc2ccnc3cc(Cl)ccc32)n[n-]1 ZINC000541904232 1012764951 /nfs/dbraw/zinc/76/49/51/1012764951.db2.gz MFHAZEOAFBHMSJ-SNVBAGLBSA-N -1 3 404.879 3.907 20 0 HHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H]2CCO[C@H](C)C2)cc1 ZINC000537343914 1012806647 /nfs/dbraw/zinc/80/66/47/1012806647.db2.gz 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CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@@H]2CCCC[C@H]2CC)cc1 ZINC001212017826 1071905428 /nfs/dbraw/zinc/90/54/28/1071905428.db2.gz HNLMJVPFZJFDKP-SJORKVTESA-N -1 3 416.609 3.723 20 0 HHADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@H]2CCCC[C@H]2CC)cc1 ZINC001212017824 1071905634 /nfs/dbraw/zinc/90/56/34/1071905634.db2.gz HNLMJVPFZJFDKP-IAGOWNOFSA-N -1 3 416.609 3.723 20 0 HHADHM CCCCN(C)C[C@@H](C)[N-]S(=O)(=O)c1oc2ccccc2c1Br ZINC001212035930 1071917636 /nfs/dbraw/zinc/91/76/36/1071917636.db2.gz ZASJDEKHAWMBFO-GFCCVEGCSA-N -1 3 403.342 3.594 20 0 HHADHM Cc1ccc(COC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)nc1 ZINC000785418413 1071953601 /nfs/dbraw/zinc/95/36/01/1071953601.db2.gz VHJNSNCZWNKYAE-UHFFFAOYSA-N -1 3 400.431 3.687 20 0 HHADHM Cc1c(F)ccc(-c2noc([C@@H](N)CCc3cc(=O)oc4cc([O-])ccc34)n2)c1F ZINC001212097933 1072075481 /nfs/dbraw/zinc/07/54/81/1072075481.db2.gz PZHBDRVSQCRNHP-INIZCTEOSA-N -1 3 413.380 3.768 20 0 HHADHM Cc1ccc([C@@H](C)N(C)C(=O)C[C@@H](C)[N-]S(=O)(=O)c2cccnc2Cl)c(C)c1 ZINC000760345067 1072266639 /nfs/dbraw/zinc/26/66/39/1072266639.db2.gz QZRBQABDWCMEPN-HZPDHXFCSA-N -1 3 423.966 3.628 20 0 HHADHM Cc1ccc([C@@H](C)N(C)C(=O)C[C@H](C)[N-]S(=O)(=O)c2cccnc2Cl)c(C)c1 ZINC000760345068 1072266772 /nfs/dbraw/zinc/26/67/72/1072266772.db2.gz QZRBQABDWCMEPN-JKSUJKDBSA-N -1 3 423.966 3.628 20 0 HHADHM O=C(COC(=O)c1cc(-c2ccco2)[n-]n1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000913297996 1072359550 /nfs/dbraw/zinc/35/95/50/1072359550.db2.gz DKVBAYJPPBCENY-UHFFFAOYSA-N -1 3 423.425 3.897 20 0 HHADHM O=C(COC(=O)c1cc(-c2ccco2)n[n-]1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000913297996 1072359562 /nfs/dbraw/zinc/35/95/62/1072359562.db2.gz DKVBAYJPPBCENY-UHFFFAOYSA-N -1 3 423.425 3.897 20 0 HHADHM C[C@@H](NC(=O)[C@H](C)OC(=O)c1cc(-c2ccco2)[n-]n1)c1ccc2c(c1)CCCC2 ZINC000913302220 1072364598 /nfs/dbraw/zinc/36/45/98/1072364598.db2.gz RLFMFHHBZUAUND-CABCVRRESA-N -1 3 407.470 3.971 20 0 HHADHM C[C@@H](NC(=O)[C@H](C)OC(=O)c1cc(-c2ccco2)n[n-]1)c1ccc2c(c1)CCCC2 ZINC000913302220 1072364606 /nfs/dbraw/zinc/36/46/06/1072364606.db2.gz RLFMFHHBZUAUND-CABCVRRESA-N -1 3 407.470 3.971 20 0 HHADHM CC[C@H](c1ccccc1)N(CC)C(=O)C[C@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000760478193 1072386346 /nfs/dbraw/zinc/38/63/46/1072386346.db2.gz ISYKMLPXDOBBNT-DOTOQJQBSA-N -1 3 423.966 3.792 20 0 HHADHM Cn1ccnc1COc1ccc(NC(=O)c2cc([O-])cc(Br)c2)cc1 ZINC001625991758 1072399733 /nfs/dbraw/zinc/39/97/33/1072399733.db2.gz VZYSOFLKCZUJQX-UHFFFAOYSA-N -1 3 402.248 3.720 20 0 HHADHM CN(CCCCc1ccccc1)C(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000729840178 1072452531 /nfs/dbraw/zinc/45/25/31/1072452531.db2.gz TYCQZKIEHAWBDW-UHFFFAOYSA-N -1 3 422.497 3.500 20 0 HHADHM CC(C)(CCNC(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F)c1ccccc1 ZINC000729844556 1072493413 /nfs/dbraw/zinc/49/34/13/1072493413.db2.gz RVGOZCISJVHNMS-UHFFFAOYSA-N -1 3 422.497 3.503 20 0 HHADHM CC[C@@H](C)N(Cc1ccccc1)C(=O)C[C@@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000760537615 1072562560 /nfs/dbraw/zinc/56/25/60/1072562560.db2.gz JPDIVAMBMLVYPM-HZPDHXFCSA-N -1 3 423.966 3.619 20 0 HHADHM Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1cc([O-])ccc1Cl ZINC000571129127 1072573008 /nfs/dbraw/zinc/57/30/08/1072573008.db2.gz DQEYJZJIUGIGGH-UHFFFAOYSA-N -1 3 411.683 3.827 20 0 HHADHM Cc1cccc([C@H]([N-]S(=O)(=O)c2cccnc2C(F)(F)F)c2ccccn2)c1 ZINC000571429538 1072618471 /nfs/dbraw/zinc/61/84/71/1072618471.db2.gz OXSWWFILPAYFRY-KRWDZBQOSA-N -1 3 407.417 3.872 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N[C@@H](CC)C3CCCCC3)c2)n1 ZINC000587947141 1072722393 /nfs/dbraw/zinc/72/23/93/1072722393.db2.gz BDXOTLKUISAMPT-IBGZPJMESA-N -1 3 410.518 3.825 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H]3CCC(=O)[C@@H](C)C3)cc2)cc1 ZINC000479119089 1072755719 /nfs/dbraw/zinc/75/57/19/1072755719.db2.gz NAEPVRZLWREGDL-JKSUJKDBSA-N -1 3 400.500 3.740 20 0 HHADHM CCC[C@@H](C)N1Cc2cccc([N-]S(=O)(=O)c3cccc(C(=O)N(C)C)c3)c2C1 ZINC000479141306 1072762796 /nfs/dbraw/zinc/76/27/96/1072762796.db2.gz ZQODHIRVQNFQRF-MRXNPFEDSA-N -1 3 415.559 3.693 20 0 HHADHM Cc1cc(I)cc(NC(=O)c2c[n-]c3ccccc3c2=O)c1 ZINC000588031293 1072765834 /nfs/dbraw/zinc/76/58/34/1072765834.db2.gz TUFPZFBPPZSDCO-UHFFFAOYSA-N -1 3 404.207 3.693 20 0 HHADHM CCC[C@H](C)N1Cc2cccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)c2C1 ZINC000479147429 1072768253 /nfs/dbraw/zinc/76/82/53/1072768253.db2.gz JYWLYURUDHJNNB-HNNXBMFYSA-N -1 3 402.516 3.763 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(CCCc3ccccc3)cc2)cc1C(N)=O ZINC000588077832 1072783240 /nfs/dbraw/zinc/78/32/40/1072783240.db2.gz CFXLTRWHHHAXCM-UHFFFAOYSA-N -1 3 424.522 3.770 20 0 HHADHM CN1CC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)[C@@H]1c1ccc(F)c(F)c1 ZINC000479412014 1072836478 /nfs/dbraw/zinc/83/64/78/1072836478.db2.gz AEJRAMGGAZNKIT-HOTGVXAUSA-N -1 3 421.296 3.995 20 0 HHADHM Cc1ccc(Cl)cc1N1CC[C@H](C[N-]S(=O)(=O)c2ccc(F)cc2F)C1 ZINC000588172244 1072879970 /nfs/dbraw/zinc/87/99/70/1072879970.db2.gz RIAFNSQRAXEGFO-CYBMUJFWSA-N -1 3 400.878 3.731 20 0 HHADHM COc1cc(C(=O)NCC[C@@H](O)c2ccc(Cl)c(Cl)c2)cc(OC)c1[O-] ZINC000760706433 1073232663 /nfs/dbraw/zinc/23/26/63/1073232663.db2.gz OKHFSLIHWLDBES-CQSZACIVSA-N -1 3 400.258 3.570 20 0 HHADHM Cc1cn2cc(NC(=O)c3ccc(S(=O)(=O)[N-]c4ccccc4F)cc3)ccc2n1 ZINC000588859957 1073311425 /nfs/dbraw/zinc/31/14/25/1073311425.db2.gz XQCPZBVAXLDYEE-UHFFFAOYSA-N -1 3 424.457 3.835 20 0 HHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1cc(F)ccc1N1CCCCC1 ZINC000588882763 1073327709 /nfs/dbraw/zinc/32/77/09/1073327709.db2.gz YFSBKYJWGBLNGY-UHFFFAOYSA-N -1 3 421.476 3.863 20 0 HHADHM O=S(=O)([N-]c1ccc2c(c1)CCO2)c1cccc(COCC(F)(F)C(F)F)c1 ZINC000590029118 1073484502 /nfs/dbraw/zinc/48/45/02/1073484502.db2.gz MXEUVDNHFWGQKT-UHFFFAOYSA-N -1 3 419.396 3.839 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)N[C@@H](c3nc(C4CC4)no3)C(C)C)cc2)cc(=O)[n-]1 ZINC000590079971 1073517524 /nfs/dbraw/zinc/51/75/24/1073517524.db2.gz QWHPUAFVKNKFAB-GOSISDBHSA-N -1 3 408.462 3.937 20 0 HHADHM CCCCN(CCCC)S(=O)(=O)[N-][C@H](c1nc(-c2ccncc2)no1)C(C)C ZINC000590067798 1073542827 /nfs/dbraw/zinc/54/28/27/1073542827.db2.gz FXPRMAGKXBMDGW-KRWDZBQOSA-N -1 3 409.556 3.565 20 0 HHADHM CCc1coc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(OC)cc3)c2)n1 ZINC000555600398 1073654885 /nfs/dbraw/zinc/65/48/85/1073654885.db2.gz ODDWQKXNGQNZRM-UHFFFAOYSA-N -1 3 415.471 3.607 20 0 HHADHM O=C(/C=C/c1cccc(OC2CCCC2)c1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000760771350 1073685943 /nfs/dbraw/zinc/68/59/43/1073685943.db2.gz ITSDIGJCEPAESC-OUKQBFOZSA-N -1 3 420.509 3.711 20 0 HHADHM CCCS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(Br)cc2[O-])cc1 ZINC000590269103 1073723762 /nfs/dbraw/zinc/72/37/62/1073723762.db2.gz LKKPYQKHKAFDLN-UHFFFAOYSA-N -1 3 413.293 3.559 20 0 HHADHM Cc1nn(C(C)C)c(C)c1CC(=O)Nc1cc(I)ccc1[O-] ZINC000590316176 1073746495 /nfs/dbraw/zinc/74/64/95/1073746495.db2.gz CAZIOLOMTWFRSQ-UHFFFAOYSA-N -1 3 413.259 3.572 20 0 HHADHM CC(=O)c1ccc(OCCCC(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)cc1 ZINC000590427732 1073806832 /nfs/dbraw/zinc/80/68/32/1073806832.db2.gz BMUWGPCMMGFPFM-UHFFFAOYSA-N -1 3 405.454 3.746 20 0 HHADHM O=C(Nc1cnc(C2CC2)nc1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000590715982 1073989793 /nfs/dbraw/zinc/98/97/93/1073989793.db2.gz NBDBOABXEJMYAI-UHFFFAOYSA-N -1 3 412.446 3.546 20 0 HHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)Nc1cccc(-c2ncc[nH]2)c1 ZINC000591050688 1074092404 /nfs/dbraw/zinc/09/24/04/1074092404.db2.gz JLFXCYYXEOJQRP-UHFFFAOYSA-N -1 3 400.442 3.514 20 0 HHADHM COc1cc(Br)cc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2)c1 ZINC000760602404 1074179426 /nfs/dbraw/zinc/17/94/26/1074179426.db2.gz QMUBMRRBLFYVSB-UHFFFAOYSA-N -1 3 411.321 3.859 20 0 HHADHM CSCC[C@H]([N-]S(=O)(=O)c1ccc(C)cc1)c1nc(-c2cccs2)no1 ZINC000904275293 1074191769 /nfs/dbraw/zinc/19/17/69/1074191769.db2.gz BHFUASKGJCXGCM-AWEZNQCLSA-N -1 3 409.558 3.879 20 0 HHADHM CSCC[C@H]([N-]S(=O)(=O)c1ccccc1)c1nc(-c2ccc(F)cc2)no1 ZINC000904274065 1074191860 /nfs/dbraw/zinc/19/18/60/1074191860.db2.gz OSXZPPAUQWBGCV-INIZCTEOSA-N -1 3 407.492 3.648 20 0 HHADHM CCOCCC1(C(=O)N2C[C@@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)CCC1 ZINC001649006474 1074202526 /nfs/dbraw/zinc/20/25/26/1074202526.db2.gz UTTKNEYHPJYTBU-OAHLLOKOSA-N -1 3 412.452 3.782 20 0 HHADHM CCCCc1noc([C@H](C)OC(=O)c2ccc(I)c([O-])c2)n1 ZINC000760815257 1074213687 /nfs/dbraw/zinc/21/36/87/1074213687.db2.gz CXZYIFGGPDRMDM-VIFPVBQESA-N -1 3 416.215 3.640 20 0 HHADHM Cc1ccc(CCC(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)cc1 ZINC000591367702 1074267957 /nfs/dbraw/zinc/26/79/57/1074267957.db2.gz GWCQLLSIMNCTQX-UHFFFAOYSA-N -1 3 400.422 3.957 20 0 HHADHM CCSc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)cn1 ZINC000591367656 1074268500 /nfs/dbraw/zinc/26/85/00/1074268500.db2.gz DQJYYRNYVYODFS-UHFFFAOYSA-N -1 3 419.450 3.836 20 0 HHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]Cc2nc(C(C)(C)C)cs2)cc1Cl ZINC000591398776 1074292322 /nfs/dbraw/zinc/29/23/22/1074292322.db2.gz KMKKSOFHVFPWRI-UHFFFAOYSA-N -1 3 419.931 3.670 20 0 HHADHM COc1cccc([C@@H]2C[C@H]2C[N-]S(=O)(=O)c2ccc(Br)cc2F)c1 ZINC001212168969 1074520613 /nfs/dbraw/zinc/52/06/13/1074520613.db2.gz PNLVOIMGDNNCEO-WFASDCNBSA-N -1 3 414.296 3.679 20 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1075241770 /nfs/dbraw/zinc/24/17/70/1075241770.db2.gz YAYAUJVGOGYWBG-UHFFFAOYSA-N -1 3 413.499 3.639 20 0 HHADHM CC[C@H]1CCCCCN1C(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000575068130 1075449647 /nfs/dbraw/zinc/44/96/47/1075449647.db2.gz WKMPWVSHGVIVRJ-ZDUSSCGKSA-N -1 3 424.282 3.928 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)O[C@@H](c2ccccc2)c2cccc(F)c2)c(C)o1 ZINC000761133365 1075509481 /nfs/dbraw/zinc/50/94/81/1075509481.db2.gz JOYJXHRRTOGXCB-IBGZPJMESA-N -1 3 403.431 3.582 20 0 HHADHM Cc1c(C(=O)[N-]c2nnc(-c3ccco3)s2)nnn1-c1ccc(OC(C)C)cc1 ZINC000595900658 1075518805 /nfs/dbraw/zinc/51/88/05/1075518805.db2.gz VWUBABYFIFAEQX-UHFFFAOYSA-N -1 3 410.459 3.727 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3nnc4n3CCCC4)cc2)cc1C ZINC000596064837 1075535496 /nfs/dbraw/zinc/53/54/96/1075535496.db2.gz YLCSIVWZWIWHDI-UHFFFAOYSA-N -1 3 412.515 3.708 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)OCCc1cccnc1 ZINC000761154643 1075542647 /nfs/dbraw/zinc/54/26/47/1075542647.db2.gz QTXWKYXLFXWEIZ-UHFFFAOYSA-N -1 3 414.458 3.729 20 0 HHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1nc(CN2CCC[C@H](C)C2)cs1 ZINC000641862637 1075566665 /nfs/dbraw/zinc/56/66/65/1075566665.db2.gz QZTAKBXJWMCKDL-LBPRGKRZSA-N -1 3 403.552 3.729 20 0 HHADHM C[C@H](C(=O)N(C)c1ccccc1)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000597070947 1075617424 /nfs/dbraw/zinc/61/74/24/1075617424.db2.gz MICZLWXDPGDOEP-OAHLLOKOSA-N -1 3 415.921 3.748 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)OCCCC(C)=O)c2)cc1 ZINC000761240027 1075709950 /nfs/dbraw/zinc/70/99/50/1075709950.db2.gz CEDQECWTJKLZQM-UHFFFAOYSA-N -1 3 419.499 3.721 20 0 HHADHM O=C([O-])[C@@]1(NC(=O)c2cccc(-c3ccoc3)c2)CCCN(Cc2ccccc2)C1 ZINC001123371608 939821220 /nfs/dbraw/zinc/82/12/20/939821220.db2.gz CCBWVEDHGHFFDF-XMMPIXPASA-N -1 3 404.466 3.796 20 0 HHADHM CCCCOc1ccc(C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1 ZINC001123372556 939822584 /nfs/dbraw/zinc/82/25/84/939822584.db2.gz PGPQLTUURPXMKA-DEOSSOPVSA-N -1 3 410.514 3.715 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(NCCc3cc(Cl)c4c(c3)OCCO4)nc2)n1 ZINC000301161222 970779784 /nfs/dbraw/zinc/77/97/84/970779784.db2.gz FCUURFATQVVTKZ-UHFFFAOYSA-N -1 3 412.877 3.886 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@@H]3CCN(c4cccc(OC)c4)C3)nc2)n1 ZINC000301166759 970783848 /nfs/dbraw/zinc/78/38/48/970783848.db2.gz DYPDLQRNEOTLOX-INIZCTEOSA-N -1 3 405.502 3.754 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3ccc(-n4nc(C)cc4C)nc3)nc2)n1 ZINC000301179910 970791180 /nfs/dbraw/zinc/79/11/80/970791180.db2.gz PDKRNTVGWGKADN-UHFFFAOYSA-N -1 3 401.474 3.616 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(NCC(C)(C)c3ccc4c(c3)OCCO4)nc2)n1 ZINC000301190478 970797713 /nfs/dbraw/zinc/79/77/13/970797713.db2.gz YVWJWULNUCYFEO-UHFFFAOYSA-N -1 3 406.486 3.968 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]3C)nc2)n1 ZINC000301800850 971070257 /nfs/dbraw/zinc/07/02/57/971070257.db2.gz VWNATMZSCYBKDU-WMLDXEAASA-N -1 3 413.522 3.689 20 0 HHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(c2ccc(C(F)(F)F)nn2)CC1 ZINC000301939501 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422.304 3.562 20 0 HHADHM CCCc1c(C(=O)[N-]c2nnc(C(F)(F)F)s2)nnn1-c1cccc(Cl)c1 ZINC000303382513 971673419 /nfs/dbraw/zinc/67/34/19/971673419.db2.gz LYHRRBBERPAJNV-UHFFFAOYSA-N -1 3 416.816 3.996 20 0 HHADHM O=C(Nc1cccc(C(=O)c2ccccc2)c1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000303430649 971713091 /nfs/dbraw/zinc/71/30/91/971713091.db2.gz CAHNPMGPTJMWRU-NRFANRHFSA-N -1 3 414.461 3.867 20 0 HHADHM O=S(=O)([N-]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1ccc(F)c(F)c1F ZINC000303462091 971765737 /nfs/dbraw/zinc/76/57/37/971765737.db2.gz LSMCCBNUFORYBR-MQVJKMGUSA-N -1 3 410.461 3.578 20 0 HHADHM C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000303493488 971790759 /nfs/dbraw/zinc/79/07/59/971790759.db2.gz SQOYVBCHEGTIAA-KDOFPFPSSA-N -1 3 420.431 3.763 20 0 HHADHM O=C(CNC(=O)c1ccc([O-])cc1)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000524302752 1013114599 /nfs/dbraw/zinc/11/45/99/1013114599.db2.gz MKDUDLARDGZSAX-OAQYLSRUSA-N -1 3 413.477 3.552 20 0 HHADHM 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ZINC000303924655 972501176 /nfs/dbraw/zinc/50/11/76/972501176.db2.gz ZBYHQZWFCQYUOV-UHFFFAOYSA-N -1 3 418.490 3.621 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(N4CCCC4=O)ccc3F)c2)n1 ZINC000303935390 972515587 /nfs/dbraw/zinc/51/55/87/972515587.db2.gz WGMZPACHYCVDSK-UHFFFAOYSA-N -1 3 420.444 3.930 20 0 HHADHM O=c1[n-]nc(SCc2csc(-c3ccc(Cl)cc3)n2)n1C[C@H]1CCCO1 ZINC000007350503 961139362 /nfs/dbraw/zinc/13/93/62/961139362.db2.gz FYYPAOBLMILXAZ-CQSZACIVSA-N -1 3 408.936 3.820 20 0 HHADHM CCCNC(=S)Nc1cc(S(=O)(=O)[N-]c2ccc(OCC)cc2)ccc1OC ZINC000007505566 961219435 /nfs/dbraw/zinc/21/94/35/961219435.db2.gz XLXRDYXHNLMXIZ-UHFFFAOYSA-N -1 3 423.560 3.591 20 0 HHADHM CCCCNC(=S)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000007505495 961219889 /nfs/dbraw/zinc/21/98/89/961219889.db2.gz RRDCCRAODVOKJB-UHFFFAOYSA-N -1 3 407.561 3.891 20 0 HHADHM CCOC(=O)Cc1csc(SCc2cc(=O)oc3cc([O-])c(CC)cc23)n1 ZINC000007508122 961221561 /nfs/dbraw/zinc/22/15/61/961221561.db2.gz QFQGCEPVTUMHNI-UHFFFAOYSA-N -1 3 405.497 3.915 20 0 HHADHM COc1cc([C@@H](C)NC(=O)NCc2cnc(C)[n-]c2=O)ccc1OCc1ccccc1 ZINC000542279475 1013240432 /nfs/dbraw/zinc/24/04/32/1013240432.db2.gz ZGBZBEMNMPVDGF-OAHLLOKOSA-N -1 3 422.485 3.639 20 0 HHADHM COC(=O)c1sc2[n-]c(CN3CC[C@@H](c4cc(C)cc(C)c4)C3)nc(=O)c2c1C ZINC000542318328 1013274987 /nfs/dbraw/zinc/27/49/87/1013274987.db2.gz QVFMTJCGHQYDFD-OAHLLOKOSA-N -1 3 411.527 3.686 20 0 HHADHM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc3nc(C)[nH]c3c2)cc1 ZINC000010896410 961941354 /nfs/dbraw/zinc/94/13/54/961941354.db2.gz IOTUBEDYDNZLED-UHFFFAOYSA-N -1 3 408.487 3.830 20 0 HHADHM Cc1nc(C)c(CCC(=O)Nc2ncc(Cc3ccccc3Cl)s2)c(=O)[n-]1 ZINC000010973272 961967794 /nfs/dbraw/zinc/96/77/94/961967794.db2.gz PZUBFMLEVIBWFY-UHFFFAOYSA-N -1 3 402.907 3.659 20 0 HHADHM Cc1nn(C)c2sc(C(=O)O[C@H](C)c3nc(=O)c4c(C)c(C)sc4[n-]3)cc12 ZINC000011972844 962217928 /nfs/dbraw/zinc/21/79/28/962217928.db2.gz DTGOSFAWINGYNC-SECBINFHSA-N -1 3 402.501 3.776 20 0 HHADHM C[C@@H](OC(=O)c1ccc([N-]S(C)(=O)=O)cc1)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000012991243 962358611 /nfs/dbraw/zinc/35/86/11/962358611.db2.gz PUHAVWJGXDEYHZ-CQSZACIVSA-N -1 3 418.515 3.540 20 0 HHADHM Cc1ncc(CNC(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)c(=O)[n-]1 ZINC000542385556 1013339029 /nfs/dbraw/zinc/33/90/29/1013339029.db2.gz KQSKYMUBVUAPQF-UHFFFAOYSA-N -1 3 405.241 3.915 20 0 HHADHM CCCCOc1ccc(C(=O)N[N-]C(=O)c2ccccc2Br)cc1OC ZINC000015476425 962768856 /nfs/dbraw/zinc/76/88/56/962768856.db2.gz BADLXBCDPPHUOK-UHFFFAOYSA-N -1 3 421.291 3.711 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccccn3)ccc2C)cc1 ZINC000015898527 962893412 /nfs/dbraw/zinc/89/34/12/962893412.db2.gz SHRHWJXSUHFLAZ-UHFFFAOYSA-N -1 3 411.483 3.842 20 0 HHADHM O=C(CSc1nnc([N-]c2ccccc2F)s1)NC(=O)NCc1cccs1 ZINC000016614787 963073025 /nfs/dbraw/zinc/07/30/25/963073025.db2.gz UHJQXQUAVIDGCL-UHFFFAOYSA-N -1 3 423.520 3.600 20 0 HHADHM CCCN(CC(=O)Nc1ccccc1OC)Cc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000016620603 963074493 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964426676 /nfs/dbraw/zinc/42/66/76/964426676.db2.gz YRMPQITXABCUTO-UHFFFAOYSA-N -1 3 422.495 3.821 20 0 HHADHM COCCN(Cc1nc(=O)c2sc(-c3ccc(OC)cc3)cc2[n-]1)CC(C)C ZINC000026450230 964567907 /nfs/dbraw/zinc/56/79/07/964567907.db2.gz STCPVGNJOLLOQH-UHFFFAOYSA-N -1 3 401.532 3.765 20 0 HHADHM CS(=O)(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccccc2-c2ccccc2)c1 ZINC000026542285 964594641 /nfs/dbraw/zinc/59/46/41/964594641.db2.gz YZADFPKFTFKYQC-UHFFFAOYSA-N -1 3 405.472 3.697 20 0 HHADHM CC1(C)CCC(NC(=O)c2c[n-]c3ccc(I)cc3c2=O)CC1 ZINC000537927219 1013512098 /nfs/dbraw/zinc/51/20/98/1013512098.db2.gz ZDQAFSBWHKIWRE-UHFFFAOYSA-N -1 3 424.282 3.831 20 0 HHADHM O=S(=O)([N-]Cc1cccnc1OCC(F)(F)F)c1c(Cl)cccc1Cl ZINC000026863330 964701494 /nfs/dbraw/zinc/70/14/94/964701494.db2.gz XSADCQIHZACYMX-UHFFFAOYSA-N -1 3 415.220 3.808 20 0 HHADHM COc1cc(CN(C(=O)c2cc(=O)c3ccccc3[n-]2)C2CC2)ccc1OC(F)F ZINC000052169028 964828116 /nfs/dbraw/zinc/82/81/16/964828116.db2.gz YXLPPZMSLSKWLQ-UHFFFAOYSA-N -1 3 414.408 3.943 20 0 HHADHM 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20 0 HHADHM CC(C)c1csc(NC(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)n1 ZINC000029775924 965493827 /nfs/dbraw/zinc/49/38/27/965493827.db2.gz AELJIQNQJGPHOA-UHFFFAOYSA-N -1 3 422.359 3.880 20 0 HHADHM Cc1nc(C)c(CCC(=O)NC[C@H]2CC3c4ccccc4C2c2ccccc23)c(=O)[n-]1 ZINC000057808002 965552146 /nfs/dbraw/zinc/55/21/46/965552146.db2.gz RBOBWJPOQLCTIU-PAQRCMFQSA-N -1 3 413.521 3.733 20 0 HHADHM CCOC(=O)C(=Cc1ccc(C)c([N+](=O)[O-])c1)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000057815245 965554271 /nfs/dbraw/zinc/55/42/71/965554271.db2.gz QFHRFAYXYIGGCD-RIYZIHGNSA-N -1 3 413.455 3.922 20 0 HHADHM CCOC(=O)C(=Cc1ccc(OC)c(OC)c1)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000057815136 965554412 /nfs/dbraw/zinc/55/44/12/965554412.db2.gz ZVLMVZVXIMMJMB-NTEUORMPSA-N -1 3 414.483 3.722 20 0 HHADHM O=S(=O)([N-]CCc1nccn1Cc1ccccc1)c1c(Cl)cccc1Cl ZINC000030004997 965592504 /nfs/dbraw/zinc/59/25/04/965592504.db2.gz KLUXYZSDXNUIEE-UHFFFAOYSA-N -1 3 410.326 3.759 20 0 HHADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)NCC3CCCCC3)c2)c1 ZINC000030017192 965599455 /nfs/dbraw/zinc/59/94/55/965599455.db2.gz NVECWTBHMORNDS-UHFFFAOYSA-N -1 3 412.486 3.972 20 0 HHADHM CCCCN(Cc1ccccc1F)C(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000058091136 965620987 /nfs/dbraw/zinc/62/09/87/965620987.db2.gz HXEKRRILFHMFGO-UHFFFAOYSA-N -1 3 408.477 3.651 20 0 HHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(C)Cc2csc3ccccc23)ccc1F ZINC000058281145 965675050 /nfs/dbraw/zinc/67/50/50/965675050.db2.gz NJEVWFBQOCBANZ-UHFFFAOYSA-N -1 3 420.531 3.999 20 0 HHADHM O=C(c1cc2c(s1)-c1ccccc1CC2)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000030661223 965758177 /nfs/dbraw/zinc/75/81/77/965758177.db2.gz LKIXTRPWTGAATM-UHFFFAOYSA-N -1 3 418.518 3.818 20 0 HHADHM CC(C)(C)c1ccc(OCCCC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000030661743 965759790 /nfs/dbraw/zinc/75/97/90/965759790.db2.gz KURUPECRHDXOES-UHFFFAOYSA-N -1 3 424.541 3.833 20 0 HHADHM CN(C)c1ccccc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000030669164 965761590 /nfs/dbraw/zinc/76/15/90/965761590.db2.gz YJXOWJMENIORFX-UHFFFAOYSA-N -1 3 413.474 3.945 20 0 HHADHM Cc1cc(CN(C)C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)ccc2C)no1 ZINC000030682198 965765938 /nfs/dbraw/zinc/76/59/38/965765938.db2.gz KHFXEIAGPDGDEC-UHFFFAOYSA-N -1 3 417.462 3.504 20 0 HHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCN([C@@H](C)c3ccccc3Cl)CC2)c1 ZINC000055197993 965781510 /nfs/dbraw/zinc/78/15/10/965781510.db2.gz CQBUGRXYUIQQDP-AWEZNQCLSA-N -1 3 401.894 3.523 20 0 HHADHM C[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1cccc2ccccc21 ZINC000058698981 965849585 /nfs/dbraw/zinc/84/95/85/965849585.db2.gz ZTUDPNAKZSYZSH-AWEZNQCLSA-N -1 3 412.486 3.911 20 0 HHADHM O=C(COC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])c1ccc(Cl)cc1Cl ZINC000058721054 965861133 /nfs/dbraw/zinc/86/11/33/965861133.db2.gz NFVMSUIRQFMZLH-MRXNPFEDSA-N -1 3 422.264 3.730 20 0 HHADHM Cc1ccc(-c2csc3[n-]c(CC(=O)NCCc4ccccc4)nc(=O)c23)s1 ZINC000055490991 965887003 /nfs/dbraw/zinc/88/70/03/965887003.db2.gz FUBVHTYBMIGJKR-UHFFFAOYSA-N -1 3 409.536 3.923 20 0 HHADHM COc1ccc(C2(C(=O)N[N-]C(=O)c3ccccc3Br)CCCC2)cc1 ZINC000058780525 965895317 /nfs/dbraw/zinc/89/53/17/965895317.db2.gz RHPRPTBYGBNBQR-UHFFFAOYSA-N -1 3 417.303 3.731 20 0 HHADHM O=S(=O)(Cc1ccc(Cl)cc1Cl)[N-][C@@H](CO)c1cccc(Cl)c1F ZINC000542692071 1013610301 /nfs/dbraw/zinc/61/03/01/1013610301.db2.gz YCMAQRFROBLQNJ-AWEZNQCLSA-N -1 3 412.697 3.939 20 0 HHADHM O=S(=O)([N-][C@H](CO)c1cccc(Cl)c1F)c1ccc(F)cc1C(F)(F)F ZINC000542691356 1013610576 /nfs/dbraw/zinc/61/05/76/1013610576.db2.gz REIKFBREMQVZHS-GFCCVEGCSA-N -1 3 415.767 3.649 20 0 HHADHM CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000538039709 1013610741 /nfs/dbraw/zinc/61/07/41/1013610741.db2.gz ZPSSCQUMWFBTMB-DIFFPNOSSA-N -1 3 411.271 3.869 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)NCc3ccco3)cc2)c(C)c1 ZINC000055580744 965934774 /nfs/dbraw/zinc/93/47/74/965934774.db2.gz YQUJCLGIUNBGTN-UHFFFAOYSA-N -1 3 415.471 3.719 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]c2cccc(CN3CCCC3=O)c2)ccc1OC(C)C ZINC000055584279 965938468 /nfs/dbraw/zinc/93/84/68/965938468.db2.gz HJPAXSQZIYZPIP-UHFFFAOYSA-N -1 3 402.516 3.705 20 0 HHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(-n3cccc3)c2)ccc1F ZINC000058891938 965943842 /nfs/dbraw/zinc/94/38/42/965943842.db2.gz UAJWRKGLVHRDSS-UHFFFAOYSA-N -1 3 415.490 3.946 20 0 HHADHM CCCOc1nc2ccccc2cc1/C=C/C(=O)OCC(=O)[N-]C(=O)c1cccs1 ZINC000058908907 965950346 /nfs/dbraw/zinc/95/03/46/965950346.db2.gz QZOZGDCPKFHXJQ-MDZDMXLPSA-N -1 3 424.478 3.598 20 0 HHADHM C[C@@H](c1nc(=O)c2c3c(sc2[n-]1)C[C@@H](C)CC3)n1nnc(-c2cccc(F)c2)n1 ZINC000031734354 966100614 /nfs/dbraw/zinc/10/06/14/966100614.db2.gz KXCWNOGAIXURAF-QWRGUYRKSA-N -1 3 410.478 3.511 20 0 HHADHM Cn1c2ccccc2nc1[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1F)c1ccccc1 ZINC000060357687 966109239 /nfs/dbraw/zinc/10/92/39/966109239.db2.gz VAAYJKPXJRNXMC-FQEVSTJZSA-N -1 3 413.449 3.919 20 0 HHADHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)CCCC2)c1nc(-c2cccnc2)no1 ZINC000060363558 966112759 /nfs/dbraw/zinc/11/27/59/966112759.db2.gz UPNNGXMPYKRUBX-LJQANCHMSA-N -1 3 412.515 3.686 20 0 HHADHM Cc1nnnn1-c1ccc(F)c([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)c1 ZINC000060376672 966120830 /nfs/dbraw/zinc/12/08/30/966120830.db2.gz OFVXKVIMNSVSOP-UHFFFAOYSA-N -1 3 415.494 3.958 20 0 HHADHM O=C(c1ccccc1[O-])N1CCN(C(=S)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000060435031 966143083 /nfs/dbraw/zinc/14/30/83/966143083.db2.gz KPBPGIVHKKSJCR-UHFFFAOYSA-N -1 3 410.326 3.854 20 0 HHADHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]N=c2[nH]cc(C(F)(F)F)cc2Cl)cc1C ZINC000060436922 966143319 /nfs/dbraw/zinc/14/33/19/966143319.db2.gz HLQNKXXXVDHWIQ-UHFFFAOYSA-N -1 3 424.788 3.584 20 0 HHADHM C[C@H]1CCCN(S(=O)(=O)c2cc(C([O-])=C(C#N)c3ccccn3)ccc2Cl)C1 ZINC000060477079 966163610 /nfs/dbraw/zinc/16/36/10/966163610.db2.gz SWWRUFNHTTWJPE-GOEBONIOSA-N -1 3 417.918 3.646 20 0 HHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cnn(-c4ccccc4F)c3)nc(=O)c2c1C ZINC000060491810 966169394 /nfs/dbraw/zinc/16/93/94/966169394.db2.gz MEHGPEJLJDBMLM-LLVKDONJSA-N -1 3 412.446 3.844 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@H](C)OCC)ccc2C)cc1 ZINC000032036160 966180286 /nfs/dbraw/zinc/18/02/86/966180286.db2.gz JYRCDODUSKBGCJ-HNNXBMFYSA-N -1 3 406.504 3.558 20 0 HHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NN=C(c1ccccc1)c1ccccc1 ZINC000032145007 966196423 /nfs/dbraw/zinc/19/64/23/966196423.db2.gz HCGCOCMFPLIZFC-UHFFFAOYSA-N -1 3 411.465 3.734 20 0 HHADHM CCCSCC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000056064358 966200209 /nfs/dbraw/zinc/20/02/09/966200209.db2.gz XAZARKCWFMVTHG-UHFFFAOYSA-N -1 3 408.545 3.886 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccc(C)n3C)ccc2C)cc1 ZINC000032193444 966200351 /nfs/dbraw/zinc/20/03/51/966200351.db2.gz RZKKKPKCQDHFNY-UHFFFAOYSA-N -1 3 413.499 3.704 20 0 HHADHM O=C(NCc1cccc(NC(=O)c2cccc(F)c2)c1)c1cc(=O)c2ccccc2[n-]1 ZINC000056112503 966217987 /nfs/dbraw/zinc/21/79/87/966217987.db2.gz BMGCRWDVMKJLQG-UHFFFAOYSA-N -1 3 415.424 3.850 20 0 HHADHM COc1ccc([C@H](C[N-]S(=O)(=O)c2cccc(Cl)c2F)N2CCCC2)cc1 ZINC000032404525 966242498 /nfs/dbraw/zinc/24/24/98/966242498.db2.gz NDBWQTQQNKUAMT-KRWDZBQOSA-N -1 3 412.914 3.603 20 0 HHADHM CCOc1ccc(OC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)cc1 ZINC000056228711 966267372 /nfs/dbraw/zinc/26/73/72/966267372.db2.gz MDBDQIUMJHTECQ-UHFFFAOYSA-N -1 3 404.419 3.573 20 0 HHADHM COCCOc1ccc([N-]S(=O)(=O)c2ccc(Br)c(C)c2)cc1 ZINC000032631050 966298366 /nfs/dbraw/zinc/29/83/66/966298366.db2.gz YRRHGPVWLYUUOS-UHFFFAOYSA-N -1 3 400.294 3.584 20 0 HHADHM COc1cc(C(=O)N2CCN(c3ccc(Cl)c(F)c3)C[C@@H]2C)cc(OC)c1[O-] ZINC000553828097 1013642081 /nfs/dbraw/zinc/64/20/81/1013642081.db2.gz YOLVCRAWANUNOM-LBPRGKRZSA-N -1 3 408.857 3.553 20 0 HHADHM CSc1ccccc1NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000056369793 966317277 /nfs/dbraw/zinc/31/72/77/966317277.db2.gz VYZPXIQRUQFWOH-UHFFFAOYSA-N -1 3 405.476 3.929 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@@H]1CCCc2sc(Cl)cc21 ZINC000553829429 1013643480 /nfs/dbraw/zinc/64/34/80/1013643480.db2.gz WNOWWXCXZWPXIK-OAHLLOKOSA-N -1 3 414.918 3.592 20 0 HHADHM COc1ccc(-c2cc(C(=O)OCC(=O)[N-]C(=O)c3cccs3)sc2C)cc1 ZINC000032847205 966335443 /nfs/dbraw/zinc/33/54/43/966335443.db2.gz UMYUTUZSPHXUNE-UHFFFAOYSA-N -1 3 415.492 3.907 20 0 HHADHM O=C(CCC(=O)N1CCc2sccc2C1)Nc1ccc(Br)cc1[O-] ZINC000056512135 966360163 /nfs/dbraw/zinc/36/01/63/966360163.db2.gz PUZKLXJBBZDPIO-UHFFFAOYSA-N -1 3 409.305 3.520 20 0 HHADHM CCC(CC)c1cc(C[N-]S(=O)(=O)Cc2ccccc2Br)on1 ZINC000553838055 1013647508 /nfs/dbraw/zinc/64/75/08/1013647508.db2.gz NJKZCKZRLZMHMS-UHFFFAOYSA-N -1 3 401.326 3.960 20 0 HHADHM C[C@H](c1nc2ccccc2s1)N1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000061210900 966398857 /nfs/dbraw/zinc/39/88/57/966398857.db2.gz FSBBKZHEISCOFU-OAHLLOKOSA-N -1 3 418.522 3.657 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cccc(NC(N)=O)c3)cc2)cc1 ZINC000061468443 966472951 /nfs/dbraw/zinc/47/29/51/966472951.db2.gz JXVURWIFJAUMBY-UHFFFAOYSA-N -1 3 424.482 3.539 20 0 HHADHM O=C(NCCCOC1CCCC1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000061525608 966489861 /nfs/dbraw/zinc/48/98/61/966489861.db2.gz FMGYYXWSCDVCAK-UHFFFAOYSA-N -1 3 420.506 3.706 20 0 HHADHM CN(C)C(=O)c1cccc(S(=O)(=O)[N-][C@H](c2ccc(Cl)cc2)C(F)(F)F)c1 ZINC000542755300 1013661808 /nfs/dbraw/zinc/66/18/08/1013661808.db2.gz NKMZQLGIWYFTBQ-OAHLLOKOSA-N -1 3 420.840 3.624 20 0 HHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3cccc(CO)c3)c2)cc1 ZINC000041593035 966603372 /nfs/dbraw/zinc/60/33/72/966603372.db2.gz RKBODDPDRDEINQ-UHFFFAOYSA-N -1 3 410.495 3.849 20 0 HHADHM O=S(=O)([N-]Cc1csc(-c2ccco2)n1)c1c(F)cccc1OC(F)(F)F ZINC000553869442 1013667751 /nfs/dbraw/zinc/66/77/51/1013667751.db2.gz MGYSHFYXIAHOMC-UHFFFAOYSA-N -1 3 422.381 3.919 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCCC[C@@H]3C)c2)cc1 ZINC000041781501 966631907 /nfs/dbraw/zinc/63/19/07/966631907.db2.gz ZSLPREWCHVWHHS-INIZCTEOSA-N -1 3 402.516 3.819 20 0 HHADHM CCO[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)ccc2C)C1 ZINC000062305165 966644791 /nfs/dbraw/zinc/64/47/91/966644791.db2.gz BMXZKCFBWGFQIJ-MRXNPFEDSA-N -1 3 420.506 3.576 20 0 HHADHM COc1ccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)cc1NC(=O)OC(C)(C)C ZINC000042004663 966686389 /nfs/dbraw/zinc/68/63/89/966686389.db2.gz ZQUKWLUSBRFFAT-FOWTUZBSSA-N -1 3 409.442 3.765 20 0 HHADHM Cc1cccc(NC(=O)[C@@H](C)Sc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)c1C ZINC000042095166 966715450 /nfs/dbraw/zinc/71/54/50/966715450.db2.gz FLQXYSMDVZXKCL-OAHLLOKOSA-N -1 3 419.510 3.845 20 0 HHADHM O=S(=O)([N-]Cc1ccc(-n2ccnc2)c(F)c1)c1c(Cl)cccc1Cl ZINC000063197673 966773743 /nfs/dbraw/zinc/77/37/43/966773743.db2.gz FERNCMBPEKUSJS-UHFFFAOYSA-N -1 3 400.262 3.797 20 0 HHADHM Cc1cc(C)n(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)n1 ZINC000063304792 966808782 /nfs/dbraw/zinc/80/87/82/966808782.db2.gz YNVHAFKYJPCGLJ-UHFFFAOYSA-N -1 3 412.515 3.556 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NCC(C)(C)c2cccc(C)c2)cc1OC ZINC000063321622 966817178 /nfs/dbraw/zinc/81/71/78/966817178.db2.gz BNFBIDGJXRVTFR-UHFFFAOYSA-N -1 3 419.547 3.865 20 0 HHADHM O=C(NCCCOc1ccc(Cl)cc1Cl)N[N-]C(=O)c1ccccc1F ZINC000063330538 966821448 /nfs/dbraw/zinc/82/14/48/966821448.db2.gz BEGLXFJKCQVACE-UHFFFAOYSA-N -1 3 400.237 3.546 20 0 HHADHM Cc1cccc(NC(=O)CN2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c1C ZINC000042743060 966841673 /nfs/dbraw/zinc/84/16/73/966841673.db2.gz IHKUCTXALOLUPP-UHFFFAOYSA-N -1 3 415.921 3.952 20 0 HHADHM O=S(=O)([N-]C[C@H]1CCC(F)(F)C1)c1cc(Br)cc2cccnc21 ZINC000553894322 1013681119 /nfs/dbraw/zinc/68/11/19/1013681119.db2.gz CKDPDGRSNGMLSV-JTQLQIEISA-N -1 3 405.264 3.711 20 0 HHADHM O=C(COC(=O)c1ccc(-c2nc3ccccc3s2)o1)[N-]C(=O)c1cccs1 ZINC000042982560 966881201 /nfs/dbraw/zinc/88/12/01/966881201.db2.gz QEESEPRSMIKPEZ-UHFFFAOYSA-N -1 3 412.448 3.731 20 0 HHADHM Cc1ccc(CNC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)cc1 ZINC000043050100 966892728 /nfs/dbraw/zinc/89/27/28/966892728.db2.gz BXGUUOUVNDNLRI-UHFFFAOYSA-N -1 3 401.894 3.914 20 0 HHADHM CCCCOCCOCc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)c1 ZINC000063635083 966912630 /nfs/dbraw/zinc/91/26/30/966912630.db2.gz NWARFEHMLBHFQN-UHFFFAOYSA-N -1 3 405.516 3.756 20 0 HHADHM CCCCOCCOCc1cccc(NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000063784671 966956189 /nfs/dbraw/zinc/95/61/89/966956189.db2.gz WFCRAQZHHZNJEK-UHFFFAOYSA-N -1 3 411.458 3.548 20 0 HHADHM O=S(=O)([N-][C@H](CCO)c1ccc(Cl)cc1)c1cccc(Br)c1F ZINC000553903079 1013688538 /nfs/dbraw/zinc/68/85/38/1013688538.db2.gz XDHBIWGIRKUGAG-CYBMUJFWSA-N -1 3 422.703 3.644 20 0 HHADHM CCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000063849064 966976787 /nfs/dbraw/zinc/97/67/87/966976787.db2.gz BPROVHSRRMTVAZ-UHFFFAOYSA-N -1 3 422.450 3.658 20 0 HHADHM COCCOc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c(C)c1 ZINC000063912445 966995306 /nfs/dbraw/zinc/99/53/06/966995306.db2.gz QCSSOLBECDONAX-UHFFFAOYSA-N -1 3 407.385 3.979 20 0 HHADHM CC(C)c1nc(COC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)no1 ZINC000063967678 967011970 /nfs/dbraw/zinc/01/19/70/967011970.db2.gz SJNNMPIGZUERFW-GOSISDBHSA-N -1 3 409.442 3.503 20 0 HHADHM O=C(OCCCOc1cccc(Cl)c1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000063971840 967013598 /nfs/dbraw/zinc/01/35/98/967013598.db2.gz BJXKGGWDIXOOER-GOSISDBHSA-N -1 3 403.862 3.663 20 0 HHADHM O=C([N-]c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc(-c2cnccn2)no1 ZINC000044122076 967130050 /nfs/dbraw/zinc/13/00/50/967130050.db2.gz SWCLPJNZTMJQKX-UHFFFAOYSA-N -1 3 403.242 3.817 20 0 HHADHM CSc1ncc(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)n1-c1ccccc1 ZINC000064342824 967148934 /nfs/dbraw/zinc/14/89/34/967148934.db2.gz LNTNJNSRLWVRNP-UHFFFAOYSA-N -1 3 417.494 3.905 20 0 HHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cnn4c3nccc4-c3ccccc3)cc2)n1 ZINC000064374129 967158544 /nfs/dbraw/zinc/15/85/44/967158544.db2.gz UDRLGNULFJPNTR-UHFFFAOYSA-N -1 3 422.448 3.707 20 0 HHADHM O=C(NCCc1ccc(Cl)cc1Cl)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000044850709 967302656 /nfs/dbraw/zinc/30/26/56/967302656.db2.gz ZSEJGKIACKFDLU-KRWDZBQOSA-N -1 3 407.297 3.663 20 0 HHADHM Cc1cc(-c2csc([N-]C(=O)c3cccc[n+]3[O-])n2)c(C)n1-c1ccc(F)cc1 ZINC000045017776 967332713 /nfs/dbraw/zinc/33/27/13/967332713.db2.gz XZWKBSFIUHGFGO-UHFFFAOYSA-N -1 3 408.458 3.664 20 0 HHADHM C[C@@H](c1ccccc1)N1CC[C@@H]([N-]S(=O)(=O)c2ccc(Br)s2)C1 ZINC000064956741 967338196 /nfs/dbraw/zinc/33/81/96/967338196.db2.gz WQMDXADPJCSTBO-GXTWGEPZSA-N -1 3 415.378 3.624 20 0 HHADHM COc1ccccc1N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000065160075 967396238 /nfs/dbraw/zinc/39/62/38/967396238.db2.gz RHRYHLBMZUPRID-UHFFFAOYSA-N -1 3 414.458 3.912 20 0 HHADHM Cc1ccc(F)cc1NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000045973080 967611988 /nfs/dbraw/zinc/61/19/88/967611988.db2.gz ILQVUMJSBAERLD-UHFFFAOYSA-N -1 3 405.278 3.748 20 0 HHADHM O=C(OCc1ccc(Br)cc1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000046331942 967744866 /nfs/dbraw/zinc/74/48/66/967744866.db2.gz YOKFCQYDEYEHAB-INIZCTEOSA-N -1 3 404.260 3.503 20 0 HHADHM Cc1nc(C)c(CC(=O)OCC(=O)c2c3ccccc3[nH]c2-c2ccccc2)c(=O)[n-]1 ZINC000046416846 967791012 /nfs/dbraw/zinc/79/10/12/967791012.db2.gz PYUKSTAPLUSPLQ-UHFFFAOYSA-N -1 3 415.449 3.504 20 0 HHADHM Cc1ccc(C(=O)COC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cc1 ZINC000046451940 967806989 /nfs/dbraw/zinc/80/69/89/967806989.db2.gz WZMDLQQNRIKPST-JOCHJYFZSA-N -1 3 417.461 3.988 20 0 HHADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]CCc1ccsc1 ZINC000046801840 967970746 /nfs/dbraw/zinc/97/07/46/967970746.db2.gz WRWFIOGFLAYSGD-UHFFFAOYSA-N -1 3 410.742 3.694 20 0 HHADHM COc1cc([C@H](C)NC(=O)NNC(=O)c2ccccc2[O-])ccc1OCCC(C)C ZINC000047159975 968069545 /nfs/dbraw/zinc/06/95/45/968069545.db2.gz VKUMISZDVFYRLG-HNNXBMFYSA-N -1 3 415.490 3.531 20 0 HHADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)cc1C ZINC000047585271 968248049 /nfs/dbraw/zinc/24/80/49/968248049.db2.gz VXSVKOWHTXKDSN-UHFFFAOYSA-N -1 3 405.394 3.720 20 0 HHADHM C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])c1ccc(Br)cc1 ZINC000048015224 968390475 /nfs/dbraw/zinc/39/04/75/968390475.db2.gz PPSKKAVWJGEPFS-SUMWQHHRSA-N -1 3 417.303 3.637 20 0 HHADHM CN(Cc1ccccc1C(F)(F)F)C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000048032265 968394341 /nfs/dbraw/zinc/39/43/41/968394341.db2.gz NBXNLPLMMZTDRP-QGZVFWFLSA-N -1 3 406.404 3.674 20 0 HHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)cc1 ZINC000048230245 968494297 /nfs/dbraw/zinc/49/42/97/968494297.db2.gz OVELQGKQNFDEAX-GASCZTMLSA-N -1 3 408.495 3.639 20 0 HHADHM C[C@@H](c1cccs1)N(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000048291312 968513610 /nfs/dbraw/zinc/51/36/10/968513610.db2.gz PNEYMDPCRPQNCK-LBPRGKRZSA-N -1 3 407.492 3.849 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C2(c3ccc(F)cc3)CCC2)cc1OC ZINC000065659053 968577465 /nfs/dbraw/zinc/57/74/65/968577465.db2.gz GUFOENNTIIGJMM-UHFFFAOYSA-N -1 3 406.479 3.656 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@H]2CCSc3ccccc32)cc1OC ZINC000065797958 968648145 /nfs/dbraw/zinc/64/81/45/968648145.db2.gz VMNUJLXNZJRXME-HNNXBMFYSA-N -1 3 421.544 3.815 20 0 HHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)NC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000065821149 968662494 /nfs/dbraw/zinc/66/24/94/968662494.db2.gz XZBRBMOHHOQBRW-UHFFFAOYSA-N -1 3 407.376 3.760 20 0 HHADHM COc1ccc([C@H](NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)c2ccc(C)cc2)cc1 ZINC000065827257 968665306 /nfs/dbraw/zinc/66/53/06/968665306.db2.gz UCAXPLRQQCVUKM-OAQYLSRUSA-N -1 3 415.449 3.798 20 0 HHADHM CC(C)CCOc1ccc(S(=O)(=O)[N-]c2ccc(-n3cncn3)c(F)c2)cc1 ZINC000065832637 968669545 /nfs/dbraw/zinc/66/95/45/968669545.db2.gz QKLQFSVUKUHNDV-UHFFFAOYSA-N -1 3 404.467 3.632 20 0 HHADHM O=C([N-]NC(=O)c1cc(Br)c[nH]1)c1sccc1-c1ccc(F)cc1 ZINC000065836584 968672119 /nfs/dbraw/zinc/67/21/19/968672119.db2.gz QRBFOJUDCADLLJ-UHFFFAOYSA-N -1 3 408.252 3.720 20 0 HHADHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(O[C@@H](C)CC)cc2)ccc1F ZINC000065870597 968691849 /nfs/dbraw/zinc/69/18/49/968691849.db2.gz YYAFRZQHPIVAAB-AWEZNQCLSA-N -1 3 406.479 3.720 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3C[C@H](C)C[C@H](C)C3)c2)cc1 ZINC000068883704 968795396 /nfs/dbraw/zinc/79/53/96/968795396.db2.gz JUJQXLIBQPKILT-IYBDPMFKSA-N -1 3 416.543 3.923 20 0 HHADHM CCOc1cccc([C@H]2C[C@H]2NC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000538302916 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ZINC000427077329 974882879 /nfs/dbraw/zinc/88/28/79/974882879.db2.gz NUQJKCRWWONKAQ-UHFFFAOYSA-N -1 3 413.441 3.687 20 0 HHADHM O=C(Nc1ccccc1)Nc1ccc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)cc1 ZINC000427077329 974882885 /nfs/dbraw/zinc/88/28/85/974882885.db2.gz NUQJKCRWWONKAQ-UHFFFAOYSA-N -1 3 413.441 3.687 20 0 HHADHM O=C(CCCc1ccc(Br)s1)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000427080979 974886265 /nfs/dbraw/zinc/88/62/65/974886265.db2.gz JSMXBNUXHCVOMF-UHFFFAOYSA-N -1 3 406.309 3.576 20 0 HHADHM O=C(CCCc1ccc(Br)s1)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000427080979 974886264 /nfs/dbraw/zinc/88/62/64/974886264.db2.gz JSMXBNUXHCVOMF-UHFFFAOYSA-N -1 3 406.309 3.576 20 0 HHADHM O=C(CCCCc1ccc(Br)cc1)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000427088669 974893433 /nfs/dbraw/zinc/89/34/33/974893433.db2.gz UWWCIWAVDLUXLN-UHFFFAOYSA-N -1 3 414.307 3.905 20 0 HHADHM O=C(CCCCc1ccc(Br)cc1)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000427088669 974893437 /nfs/dbraw/zinc/89/34/37/974893437.db2.gz UWWCIWAVDLUXLN-UHFFFAOYSA-N -1 3 414.307 3.905 20 0 HHADHM CCOC(=O)c1cc(COC)cc(S(=O)(=O)[N-]c2cccc(Cl)c2F)c1 ZINC000427114397 974915030 /nfs/dbraw/zinc/91/50/30/974915030.db2.gz PBMSRFIXFCDVJQ-UHFFFAOYSA-N -1 3 401.843 3.603 20 0 HHADHM CCn1ncc(C(=O)NCc2ccc([O-])c(Br)c2)c1-c1ccccc1 ZINC000427613768 975211290 /nfs/dbraw/zinc/21/12/90/975211290.db2.gz DURZZDNGUPJSCB-UHFFFAOYSA-N -1 3 400.276 3.968 20 0 HHADHM Cc1cc(-c2noc([C@H](C)[N-]S(=O)(=O)C[C@H](C)c3ccccc3)n2)ccc1F ZINC000427793204 975292168 /nfs/dbraw/zinc/29/21/68/975292168.db2.gz CJFFAFAFYZYQFW-GJZGRUSLSA-N -1 3 403.479 3.968 20 0 HHADHM O=C(NCc1ccc([O-])c(F)c1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000427950164 975363484 /nfs/dbraw/zinc/36/34/84/975363484.db2.gz LZFGGGXBYAWBJS-UHFFFAOYSA-N -1 3 411.882 3.588 20 0 HHADHM O=C(CSc1nnc(-c2cccs2)n1C1CC1)NCc1ccc([O-])c(F)c1 ZINC000427960442 975367694 /nfs/dbraw/zinc/36/76/94/975367694.db2.gz OYCSRWOBVSPLRU-UHFFFAOYSA-N -1 3 404.492 3.595 20 0 HHADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)Nc1ccc(-c2ccco2)cc1F ZINC000428084578 975426179 /nfs/dbraw/zinc/42/61/79/975426179.db2.gz OWSLHQQAJGNMEK-UHFFFAOYSA-N -1 3 414.867 3.718 20 0 HHADHM C=Cc1ccc(CCNC(=O)Cc2csc(NC(=O)c3cc(C)ccc3[O-])n2)cc1 ZINC000428284046 975597351 /nfs/dbraw/zinc/59/73/51/975597351.db2.gz WRWRYNBXYOZEJV-UHFFFAOYSA-N -1 3 421.522 3.954 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CC[C@H]4CCC[C@@H]43)ccc2C)cc1 ZINC000428544968 975849584 /nfs/dbraw/zinc/84/95/84/975849584.db2.gz YZSRUNVJXHLHSW-UZLBHIALSA-N -1 3 414.527 3.819 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cn2)c(C)o1 ZINC000428625854 975929985 /nfs/dbraw/zinc/92/99/85/975929985.db2.gz VYPNAUCUXBPOPT-UHFFFAOYSA-N -1 3 421.862 3.589 20 0 HHADHM COc1cc(OC)cc(-c2cccc(NC(=O)c3c(C)[n-]c(=O)nc3SC)n2)c1 ZINC000428682619 975974318 /nfs/dbraw/zinc/97/43/18/975974318.db2.gz JZGIXTOXNAADEJ-UHFFFAOYSA-N -1 3 412.471 3.544 20 0 HHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1 ZINC000428884033 976178962 /nfs/dbraw/zinc/17/89/62/976178962.db2.gz QPKPVDDOSCGFCR-UHFFFAOYSA-N -1 3 407.908 3.561 20 0 HHADHM O=S(=O)([N-][C@@H](CCCO)c1ccccc1)c1cc(Cl)ccc1Br ZINC000429829776 977099948 /nfs/dbraw/zinc/09/99/48/977099948.db2.gz ONJPCFPKSIXREW-HNNXBMFYSA-N -1 3 418.740 3.895 20 0 HHADHM C[C@@H](Cc1cccc(O)c1)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429838223 977108252 /nfs/dbraw/zinc/10/82/52/977108252.db2.gz NRZYBKAYAPBVER-JTQLQIEISA-N -1 3 404.713 3.718 20 0 HHADHM O=S(=O)([N-]CCC[C@@H]1CCCC[C@@H]1O)c1cc(Cl)ccc1Br ZINC000429856290 977127545 /nfs/dbraw/zinc/12/75/45/977127545.db2.gz HEKZVFBHIRUBKO-FZMZJTMJSA-N -1 3 410.761 3.712 20 0 HHADHM COCCC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2Br)CCCC1 ZINC000429870195 977144061 /nfs/dbraw/zinc/14/40/61/977144061.db2.gz IUFIFZIHOJFBBD-UHFFFAOYSA-N -1 3 410.761 3.978 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)NC[C@H](CO)Cc1cccc(Br)c1 ZINC000430137385 977340975 /nfs/dbraw/zinc/34/09/75/977340975.db2.gz WCFIGNJSOHGFTM-MRXNPFEDSA-N -1 3 424.310 3.584 20 0 HHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3CCc4cccc(C)c4C3)cs2)c1 ZINC000430339634 977486714 /nfs/dbraw/zinc/48/67/14/977486714.db2.gz DYSWPEAAOGZBIS-UHFFFAOYSA-N -1 3 421.522 3.845 20 0 HHADHM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2c3c(ccc2Cl)CC(C)(C)O3)cc1 ZINC000430379256 977513371 /nfs/dbraw/zinc/51/33/71/977513371.db2.gz TUSIJXWOPOYVQL-UHFFFAOYSA-N -1 3 408.907 3.837 20 0 HHADHM CN(Cc1nccs1)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430591616 977648323 /nfs/dbraw/zinc/64/83/23/977648323.db2.gz OOBCSGSHVOGKNC-UHFFFAOYSA-N -1 3 412.696 3.673 20 0 HHADHM O=C(NCC(F)(F)C(F)F)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430619289 977657298 /nfs/dbraw/zinc/65/72/98/977657298.db2.gz AJUGHCHHHVOZOD-UHFFFAOYSA-N -1 3 415.568 3.574 20 0 HHADHM CN(CC[C@@H]1CCCO1)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430621023 977658187 /nfs/dbraw/zinc/65/81/87/977658187.db2.gz CPUWRXQCZHVOHP-NSHDSACASA-N -1 3 413.699 3.585 20 0 HHADHM O=C(Nc1cc(Br)ccc1N1CCOCC1)c1cc([O-])ccc1Cl ZINC000430883547 977849955 /nfs/dbraw/zinc/84/99/55/977849955.db2.gz CXQWKSIKYYOLGY-UHFFFAOYSA-N -1 3 411.683 3.897 20 0 HHADHM CC(C)(C)c1cc(CS(=O)(=O)[N-]c2cccc(I)c2)no1 ZINC000430975964 977922806 /nfs/dbraw/zinc/92/28/06/977922806.db2.gz DDKMAKQEOKZIOH-UHFFFAOYSA-N -1 3 420.272 3.519 20 0 HHADHM Cn1ccnc1Sc1ccc([N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)cc1 ZINC000430983932 977929895 /nfs/dbraw/zinc/92/98/95/977929895.db2.gz AHJKEANHXBTLIL-UHFFFAOYSA-N -1 3 406.533 3.799 20 0 HHADHM C[C@@H](O)C[C@@H](C[N-]S(=O)(=O)c1csc(-c2ccccc2)n1)c1ccccc1 ZINC000431310874 978196574 /nfs/dbraw/zinc/19/65/74/978196574.db2.gz FUDYEJVWISYMJM-QAPCUYQASA-N -1 3 402.541 3.643 20 0 HHADHM C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1ncc(Br)cn1 ZINC000431619104 978388888 /nfs/dbraw/zinc/38/88/88/978388888.db2.gz FQOFKZWOHFWJBG-ZETCQYMHSA-N -1 3 411.108 3.585 20 0 HHADHM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C)c2sc(-c3ccccc3)nc2C)oc1C ZINC000431807697 978528356 /nfs/dbraw/zinc/52/83/56/978528356.db2.gz IAYCRBMAAFROJV-GFCCVEGCSA-N -1 3 420.512 3.846 20 0 HHADHM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C)c2nc(-c3ccccc3)cs2)oc1C ZINC000431845138 978549191 /nfs/dbraw/zinc/54/91/91/978549191.db2.gz ZFGLPSYBOCZGHI-LLVKDONJSA-N -1 3 406.485 3.538 20 0 HHADHM C[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)CCCC2=O)c1nc(C2CCCCC2)no1 ZINC000432234282 978724779 /nfs/dbraw/zinc/72/47/79/978724779.db2.gz XMTIFOVFEOGCSS-CYBMUJFWSA-N -1 3 403.504 3.676 20 0 HHADHM COC(=O)c1ccc(S(=O)(=O)[N-]CC[C@H](c2ccccc2)C(F)(F)F)cc1F ZINC000432273146 978738477 /nfs/dbraw/zinc/73/84/77/978738477.db2.gz XQZBJUIRDYQNFZ-OAHLLOKOSA-N -1 3 419.396 3.627 20 0 HHADHM O=S(=O)([N-]CC[C@H](c1ccccc1)C(F)(F)F)c1cncc(Br)c1 ZINC000432278619 978741092 /nfs/dbraw/zinc/74/10/92/978741092.db2.gz ARMDHJWJGQGENQ-CQSZACIVSA-N -1 3 423.254 3.859 20 0 HHADHM Cc1nc([C@@](C)([N-]S(=O)(=O)c2ccc(OCC3CCCCC3)cc2)C2CC2)no1 ZINC000432286438 978744530 /nfs/dbraw/zinc/74/45/30/978744530.db2.gz OANLMKJWWDCFOF-NRFANRHFSA-N -1 3 419.547 3.941 20 0 HHADHM O=S(=O)([N-]C1(Cc2ccc(F)cc2)CCOCC1)c1cccc(Cl)c1F ZINC000432292851 978748073 /nfs/dbraw/zinc/74/80/73/978748073.db2.gz ZWCHXXAOKJSGKY-UHFFFAOYSA-N -1 3 401.862 3.688 20 0 HHADHM CN(C)[C@H]1CCOc2c([N-]S(=O)(=O)c3cccc(Br)c3)cccc21 ZINC000432470517 978831412 /nfs/dbraw/zinc/83/14/12/978831412.db2.gz UBELRTZKGZDZCE-INIZCTEOSA-N -1 3 411.321 3.635 20 0 HHADHM C[C@@H](SC[C@H]1CCS(=O)(=O)C1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000432517377 978859928 /nfs/dbraw/zinc/85/99/28/978859928.db2.gz GBIMWAGZRZMXTM-GHMZBOCLSA-N -1 3 410.542 3.886 20 0 HHADHM COc1cc(C)ccc1-c1noc([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000432529323 978867160 /nfs/dbraw/zinc/86/71/60/978867160.db2.gz CUSJGUSUPWWMLR-LBPRGKRZSA-N -1 3 407.879 3.747 20 0 HHADHM Cc1nc(C)c(CCC(=O)Nc2nnc([C@@H]3CCCc4ccccc43)s2)c(=O)[n-]1 ZINC000432604140 978908916 /nfs/dbraw/zinc/90/89/16/978908916.db2.gz SKJXTLQIYYFBOJ-QGZVFWFLSA-N -1 3 409.515 3.690 20 0 HHADHM CN(C)c1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccn3)c(F)c2)cc1 ZINC000432777335 978971182 /nfs/dbraw/zinc/97/11/82/978971182.db2.gz ATWBPAUMBHIAQI-UHFFFAOYSA-N -1 3 401.463 3.667 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(OCc3noc(C)n3)cc2)cc1Cl ZINC000432781387 978973077 /nfs/dbraw/zinc/97/30/77/978973077.db2.gz RDJLAJUPYIMNPO-UHFFFAOYSA-N -1 3 423.878 3.728 20 0 HHADHM CCc1ccc([C@H]2CCN(Cc3nc(=O)c4c(C)c(C(=O)OC)sc4[n-]3)C2)cc1 ZINC000433056817 979054324 /nfs/dbraw/zinc/05/43/24/979054324.db2.gz JAQVIFIYZVGIFJ-INIZCTEOSA-N -1 3 411.527 3.632 20 0 HHADHM COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)[N-]c1c(C)c(F)ccc1Cl ZINC000433157394 979106448 /nfs/dbraw/zinc/10/64/48/979106448.db2.gz GDYKGVKOPGUVAK-UHFFFAOYSA-N -1 3 412.870 3.945 20 0 HHADHM Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000433301366 979224365 /nfs/dbraw/zinc/22/43/65/979224365.db2.gz VHKJTWAPJMHNSH-CHWSQXEVSA-N -1 3 409.465 3.776 20 0 HHADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1cccc(F)c1 ZINC000433445154 979310052 /nfs/dbraw/zinc/31/00/52/979310052.db2.gz VLHKKYXYXBXNQH-SMDDNHRTSA-N -1 3 418.259 3.570 20 0 HHADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000433452329 979313896 /nfs/dbraw/zinc/31/38/96/979313896.db2.gz VIENJNQAZFWDAS-SMDDNHRTSA-N -1 3 418.259 3.570 20 0 HHADHM COc1cc(Br)c(S(=O)(=O)[N-]CCCC(F)(F)F)cc1Cl ZINC000433673929 979473593 /nfs/dbraw/zinc/47/35/93/979473593.db2.gz UNEXPVUCNHCQIM-UHFFFAOYSA-N -1 3 410.639 3.732 20 0 HHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C[C@@H](c2cccnc2)C(C)C)cc1Cl ZINC000433731216 979526897 /nfs/dbraw/zinc/52/68/97/979526897.db2.gz QBEUETWBZVMYSX-CQSZACIVSA-N -1 3 413.902 3.551 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccccc2-c2ccc(Cl)cc2)c(C)o1 ZINC000433944150 979703401 /nfs/dbraw/zinc/70/34/01/979703401.db2.gz XUGOTTAFHXYUTP-UHFFFAOYSA-N -1 3 418.902 3.747 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc(Oc3ccccc3)cc2)c(C)o1 ZINC000433949455 979708632 /nfs/dbraw/zinc/70/86/32/979708632.db2.gz KQWQUGIAFHNEPC-CQSZACIVSA-N -1 3 414.483 3.779 20 0 HHADHM CCN(C(=O)c1cc(=O)[n-]c(N(C)C)n1)[C@H](c1ccc(Cl)cc1)c1cccnc1 ZINC000433975012 979727537 /nfs/dbraw/zinc/72/75/37/979727537.db2.gz RHODNXJDMJKCCV-LJQANCHMSA-N -1 3 411.893 3.548 20 0 HHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)Cc3cc(F)ccc3Br)cc2)n1 ZINC000434013162 979758238 /nfs/dbraw/zinc/75/82/38/979758238.db2.gz TUGILOBVSZXCFQ-UHFFFAOYSA-N -1 3 416.250 3.828 20 0 HHADHM CCCN(C(=O)c1cc(S(=O)(=O)[N-]C)oc1C)[C@@H](C)c1cc2ccccc2o1 ZINC000434081358 979827339 /nfs/dbraw/zinc/82/73/39/979827339.db2.gz CEDLYDPOQROTBS-ZDUSSCGKSA-N -1 3 404.488 3.856 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](c2cc3ccccc3o2)c2ccccc2)c(C)o1 ZINC000434110655 979863494 /nfs/dbraw/zinc/86/34/94/979863494.db2.gz DTFUMRUOGHNXCS-NRFANRHFSA-N -1 3 424.478 3.762 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)N[C@@H](C)CCC(C)(C)C)c2)[n-]1 ZINC000434133425 979890680 /nfs/dbraw/zinc/89/06/80/979890680.db2.gz QYQHVDWHSKAPDM-AWEZNQCLSA-N -1 3 401.511 3.662 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)N[C@@H](C)CCC(C)(C)C)c2)n[n-]1 ZINC000434133425 979890704 /nfs/dbraw/zinc/89/07/04/979890704.db2.gz QYQHVDWHSKAPDM-AWEZNQCLSA-N -1 3 401.511 3.662 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccnc2Oc2cccc(C)c2C)c(C)o1 ZINC000434201475 979967904 /nfs/dbraw/zinc/96/79/04/979967904.db2.gz SQPLMOXGPJLWRN-UHFFFAOYSA-N -1 3 415.471 3.553 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)N[C@@H](C)c3ccc(C)cc3)c2)[n-]1 ZINC000434259640 980023694 /nfs/dbraw/zinc/02/36/94/980023694.db2.gz LMSSPAWMIITBJZ-HNNXBMFYSA-N -1 3 407.474 3.517 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)N[C@@H](C)c3ccc(C)cc3)c2)n[n-]1 ZINC000434259640 980023702 /nfs/dbraw/zinc/02/37/02/980023702.db2.gz LMSSPAWMIITBJZ-HNNXBMFYSA-N -1 3 407.474 3.517 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(OCc3ccccc3)cc2C)c(C)o1 ZINC000434263624 980026593 /nfs/dbraw/zinc/02/65/93/980026593.db2.gz JIAICYDXETYOGG-UHFFFAOYSA-N -1 3 414.483 3.636 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)c2sccc2C)c(C)o1 ZINC000434268272 980029308 /nfs/dbraw/zinc/02/93/08/980029308.db2.gz IAZXACFIJJIFIU-KRWDZBQOSA-N -1 3 418.540 3.580 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)NC(C)(C)Cc2ccc(Cl)cc2Cl)c(C)o1 ZINC000434320873 980083831 /nfs/dbraw/zinc/08/38/31/980083831.db2.gz HMJJPOKDDMGWMN-UHFFFAOYSA-N -1 3 419.330 3.554 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)N[C@H](C)[C@@H](C)c3ccccc3)c2)[n-]1 ZINC000434396856 980141774 /nfs/dbraw/zinc/14/17/74/980141774.db2.gz UOYACQVEHLERSK-HZPDHXFCSA-N -1 3 421.501 3.640 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)N[C@H](C)[C@@H](C)c3ccccc3)c2)n[n-]1 ZINC000434396856 980141776 /nfs/dbraw/zinc/14/17/76/980141776.db2.gz UOYACQVEHLERSK-HZPDHXFCSA-N -1 3 421.501 3.640 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](c2cccc(Cl)c2)C2CCCC2)c(C)o1 ZINC000434415065 980156583 /nfs/dbraw/zinc/15/65/83/980156583.db2.gz GUAWLUDJTUUTGV-GOSISDBHSA-N -1 3 410.923 3.811 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1C[C@@H](c2ccccc2)C(C)(C)C1 ZINC000434432668 980171868 /nfs/dbraw/zinc/17/18/68/980171868.db2.gz RDFYLGUDKJUAGR-NRFANRHFSA-N -1 3 416.525 3.725 20 0 HHADHM CCCN(C(=O)c1cccs1)C1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000434568689 980260274 /nfs/dbraw/zinc/26/02/74/980260274.db2.gz YEWHOWMDCYALQZ-UHFFFAOYSA-N -1 3 423.538 3.747 20 0 HHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CC2(Cc3ccccc3)CC2)cc1Cl ZINC000435119654 980652865 /nfs/dbraw/zinc/65/28/65/980652865.db2.gz ODXMHDMNAYBKSB-UHFFFAOYSA-N -1 3 410.898 3.739 20 0 HHADHM O=S(=O)([N-]Cc1cccc(OCC(F)F)c1)c1cc(F)ccc1Br ZINC000435211471 980724742 /nfs/dbraw/zinc/72/47/42/980724742.db2.gz RHZKULLOZYHQHQ-UHFFFAOYSA-N -1 3 424.238 3.711 20 0 HHADHM O=S(=O)([N-]CCCCOCc1ccccc1)c1cc(F)ccc1Br ZINC000435220142 980729916 /nfs/dbraw/zinc/72/99/16/980729916.db2.gz LOTKEOVUAUZWRE-UHFFFAOYSA-N -1 3 416.312 3.864 20 0 HHADHM CCOc1ccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2cc(F)ccc2Br)cc1 ZINC000435435416 980861577 /nfs/dbraw/zinc/86/15/77/980861577.db2.gz AVUYWQDGGNTRNQ-GOEBONIOSA-N -1 3 414.296 3.821 20 0 HHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H]2CCOC[C@H]2C)cc1 ZINC000435553438 980938485 /nfs/dbraw/zinc/93/84/85/980938485.db2.gz FKCVBNAKCSQLCF-APWZRJJASA-N -1 3 402.516 3.715 20 0 HHADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@H]1C[C@H](c2ccccc2)C1 ZINC000435585262 980950506 /nfs/dbraw/zinc/95/05/06/980950506.db2.gz SSMUSXLFBUUBPS-JOCQHMNTSA-N -1 3 414.296 3.821 20 0 HHADHM Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CSc1nc2nncc-2c(O)[n-]1 ZINC000435663072 980978177 /nfs/dbraw/zinc/97/81/77/980978177.db2.gz MAEVFQBKDSGYOH-UHFFFAOYSA-N -1 3 400.895 3.866 20 0 HHADHM Cc1cc([C@H]2CCCN2C(=O)c2cnc3c(cnn3C)c2[O-])ccc1Br ZINC000435959138 981114328 /nfs/dbraw/zinc/11/43/28/981114328.db2.gz BWVIMPMFNLCQBH-MRXNPFEDSA-N -1 3 415.291 3.722 20 0 HHADHM Cn1ncc2c1ncc(C(=O)N1CCC[C@@H]1c1ccc(Br)c(F)c1)c2[O-] ZINC000435967529 981120262 /nfs/dbraw/zinc/12/02/62/981120262.db2.gz UFHDYKVUARENNJ-OAHLLOKOSA-N -1 3 419.254 3.553 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H]3C[C@H]3C3CC3)ccc2C)cc1 ZINC000435969985 981122158 /nfs/dbraw/zinc/12/21/58/981122158.db2.gz LNXXJTYXHUSRCJ-VQTJNVASSA-N -1 3 414.527 3.723 20 0 HHADHM CC(=O)Nc1ccc([O-])c(C(=O)N(CCn2ccnc2)Cc2cccc(Cl)c2)c1 ZINC000436023573 981162967 /nfs/dbraw/zinc/16/29/67/981162967.db2.gz PRPFBMQGQXJQDK-UHFFFAOYSA-N -1 3 412.877 3.543 20 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ZINC000436489244 981398125 /nfs/dbraw/zinc/39/81/25/981398125.db2.gz NBBNIYISUOLZHL-MSOLQXFVSA-N -1 3 419.308 3.787 20 0 HHADHM Cc1ccc(C(=O)N2CCN(Cc3cc(Br)ccc3F)CC2)c([O-])c1 ZINC000436511887 981410590 /nfs/dbraw/zinc/41/05/90/981410590.db2.gz IHQPKJARZWYBLO-UHFFFAOYSA-N -1 3 407.283 3.560 20 0 HHADHM COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cc2c(cc1[O-])OCO2 ZINC000436518554 981413613 /nfs/dbraw/zinc/41/36/13/981413613.db2.gz KNDUWPXCKOZAQR-UHFFFAOYSA-N -1 3 403.394 3.925 20 0 HHADHM COC(=O)CCCc1nnc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])s1 ZINC000436525517 981418413 /nfs/dbraw/zinc/41/84/13/981418413.db2.gz AQHYKQUUKBVFEL-UHFFFAOYSA-N -1 3 411.483 3.583 20 0 HHADHM CCOC1(CNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCCC1 ZINC000436525382 981418444 /nfs/dbraw/zinc/41/84/44/981418444.db2.gz NGAZRTOWAFRXBB-NRFANRHFSA-N -1 3 410.514 3.719 20 0 HHADHM O=C(Nc1cccc(COCCOc2ccccc2)c1)c1cc2c(cc1[O-])OCO2 ZINC000436526542 981419070 /nfs/dbraw/zinc/41/90/70/981419070.db2.gz JNFLOSRZBZMCRE-UHFFFAOYSA-N -1 3 407.422 3.969 20 0 HHADHM CC(=O)c1cnc(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)s1 ZINC000436526237 981419225 /nfs/dbraw/zinc/41/92/25/981419225.db2.gz QIKANLBTUIZBBH-QGZVFWFLSA-N -1 3 409.467 3.551 20 0 HHADHM CCCCOc1ccccc1NC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436528836 981420801 /nfs/dbraw/zinc/42/08/01/981420801.db2.gz MNYLHVZLPBXIFT-UHFFFAOYSA-N -1 3 411.502 3.997 20 0 HHADHM COc1ccc(C)nc1NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436529897 981422850 /nfs/dbraw/zinc/42/28/50/981422850.db2.gz SZYGDHAGAKRLKB-IBGZPJMESA-N -1 3 405.454 3.604 20 0 HHADHM O=C(Nc1ccc(OC(F)F)c(F)c1)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436532622 981424154 /nfs/dbraw/zinc/42/41/54/981424154.db2.gz WEGFGUYARNBVEK-UHFFFAOYSA-N -1 3 423.391 3.559 20 0 HHADHM O=C(Nc1ccccc1N1CCN(CCc2ccncc2)CC1)c1cc(F)ccc1[O-] ZINC000436532178 981424184 /nfs/dbraw/zinc/42/41/84/981424184.db2.gz GLSZJQPAPBFKPJ-UHFFFAOYSA-N -1 3 420.488 3.543 20 0 HHADHM C[C@@H](NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccc(Cl)cc1Cl ZINC000436534568 981425850 /nfs/dbraw/zinc/42/58/50/981425850.db2.gz KPZSGPOJBFGTMZ-CYBMUJFWSA-N -1 3 422.312 3.928 20 0 HHADHM CN(C)c1c(Cl)cccc1NC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436535388 981426713 /nfs/dbraw/zinc/42/67/13/981426713.db2.gz KEMDRFGXPNBDIZ-UHFFFAOYSA-N -1 3 416.909 3.538 20 0 HHADHM CCN(CC)Cc1nc(C2(NC(=O)c3cc4ccccc4cc3[O-])CCCC2)no1 ZINC000436537370 981427493 /nfs/dbraw/zinc/42/74/93/981427493.db2.gz FNBJHVFMBTXUMC-UHFFFAOYSA-N -1 3 408.502 3.970 20 0 HHADHM Cc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(Br)cc3)CC2)c([O-])c1 ZINC000436539069 981428745 /nfs/dbraw/zinc/42/87/45/981428745.db2.gz XQCKIQIKVWFYHO-UHFFFAOYSA-N -1 3 417.303 3.954 20 0 HHADHM O=C(NCc1ccco1)[C@H]1CCCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436549400 981435566 /nfs/dbraw/zinc/43/55/66/981435566.db2.gz PSQHFMLLVNAAEN-HXUWFJFHSA-N -1 3 406.438 3.699 20 0 HHADHM C[C@@H]1CN(C[C@@H]2CCCN2C(=O)c2cc(Oc3ccccc3)ccc2[O-])C[C@@H](C)O1 ZINC000436551494 981437449 /nfs/dbraw/zinc/43/74/49/981437449.db2.gz ZRELJHHWMWBCGW-QRVBRYPASA-N -1 3 410.514 3.898 20 0 HHADHM Cc1noc(C)c1[C@@H](C)CNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436556342 981441666 /nfs/dbraw/zinc/44/16/66/981441666.db2.gz NWNYBUWJSVRYQX-BTYIYWSLSA-N -1 3 421.497 3.778 20 0 HHADHM O=C(c1cc2c(cc1[O-])OCO2)N1CCC(c2nc(-c3ccncc3)cs2)CC1 ZINC000436556771 981441770 /nfs/dbraw/zinc/44/17/70/981441770.db2.gz LOVJHEZBPAHEFX-UHFFFAOYSA-N -1 3 409.467 3.659 20 0 HHADHM O=C(Nc1cccc(C[S@@](=O)C2CCCCC2)c1)c1cc2c(cc1[O-])OCO2 ZINC000436557416 981442402 /nfs/dbraw/zinc/44/24/02/981442402.db2.gz VXNJRAXABOJJDF-MUUNZHRXSA-N -1 3 401.484 3.955 20 0 HHADHM CCCCn1c2ccc(S(N)(=O)=O)cc2nc1-c1cc(Cl)c([O-])c(OCC)c1 ZINC000436557216 981442529 /nfs/dbraw/zinc/44/25/29/981442529.db2.gz MYTSCMYKUQAPPB-UHFFFAOYSA-N -1 3 423.922 3.909 20 0 HHADHM Cc1[nH]nc(C(F)F)c1NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436561059 981445314 /nfs/dbraw/zinc/44/53/14/981445314.db2.gz HLMYSJYTAHHRHV-MRXNPFEDSA-N -1 3 414.412 3.861 20 0 HHADHM CCOCCCNC(=O)c1cccc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)c1 ZINC000436563268 981446427 /nfs/dbraw/zinc/44/64/27/981446427.db2.gz PHDFBZDMTJCHNX-UHFFFAOYSA-N -1 3 412.486 3.514 20 0 HHADHM COc1ccc(C(=O)N2CCN(C(=O)c3sc4ccccc4c3C)CC2)c([O-])c1 ZINC000436566236 981448742 /nfs/dbraw/zinc/44/87/42/981448742.db2.gz WUTBKQPHGPBSJK-UHFFFAOYSA-N -1 3 410.495 3.522 20 0 HHADHM CC[C@H](Oc1ccccc1Cl)C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436567767 981449207 /nfs/dbraw/zinc/44/92/07/981449207.db2.gz UOKXFRPGKFTLBJ-IBGZPJMESA-N -1 3 416.905 3.624 20 0 HHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1cc(Cl)ccc1OC(F)F ZINC000436568818 981450096 /nfs/dbraw/zinc/45/00/96/981450096.db2.gz ZQFYAHAUYBOVEA-UHFFFAOYSA-N -1 3 424.831 3.682 20 0 HHADHM CCc1ccc([C@@H](NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)C(C)C)cc1 ZINC000436575643 981454024 /nfs/dbraw/zinc/45/40/24/981454024.db2.gz JFJWUQIMTJIQQI-QFIPXVFZSA-N -1 3 409.530 3.819 20 0 HHADHM Cc1cc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cnc1N1CCCC[C@@H]1C ZINC000436576474 981454939 /nfs/dbraw/zinc/45/49/39/981454939.db2.gz LMTBCLDFDNQEPK-FXAWDEMLSA-N -1 3 422.529 3.718 20 0 HHADHM COC(=O)CCN(Cc1ccncc1)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436584094 981460200 /nfs/dbraw/zinc/46/02/00/981460200.db2.gz IUCCYVZMRLDMFN-UHFFFAOYSA-N -1 3 404.466 3.584 20 0 HHADHM Cc1ccccc1-c1nnc(N2CCN(C(=O)c3ccc([O-])cc3)CC2)n1CC(C)C ZINC000436593533 981464884 /nfs/dbraw/zinc/46/48/84/981464884.db2.gz BLHVNRIHKIPOOR-UHFFFAOYSA-N -1 3 419.529 3.578 20 0 HHADHM CC(C)c1ccc(-c2nc(CN(C)S(=O)(=O)c3ccc(F)cc3)no2)c([O-])c1 ZINC000436594645 981465059 /nfs/dbraw/zinc/46/50/59/981465059.db2.gz IAZUKAURWPQAPG-UHFFFAOYSA-N -1 3 405.451 3.525 20 0 HHADHM Cc1c(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])cccc1N1CN=NC1=O ZINC000436595708 981465617 /nfs/dbraw/zinc/46/56/17/981465617.db2.gz MQKLZZONGOMQFK-UHFFFAOYSA-N -1 3 416.437 3.818 20 0 HHADHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1cc(F)ccc1Oc1ccccc1 ZINC000436596975 981466279 /nfs/dbraw/zinc/46/62/79/981466279.db2.gz SDQVLENUDJRKSG-UHFFFAOYSA-N -1 3 409.417 3.875 20 0 HHADHM O=C(Nc1cccc([C@@H]2CNC(=O)C2)c1)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436603436 981469186 /nfs/dbraw/zinc/46/91/86/981469186.db2.gz MXNMNUIBNVISFB-SFHVURJKSA-N -1 3 402.450 3.827 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CC2(CCC2(F)F)C1 ZINC000436603879 981469922 /nfs/dbraw/zinc/46/99/22/981469922.db2.gz BVEBTUXNVAKENH-GOSISDBHSA-N -1 3 400.425 3.511 20 0 HHADHM O=C(c1cc2c(cc1[O-])OCO2)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000436607022 981470981 /nfs/dbraw/zinc/47/09/81/981470981.db2.gz RXWFNPWIJAUUID-SECBINFHSA-N -1 3 400.378 3.616 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@H]1CCc2ccccc2C1 ZINC000436606892 981471072 /nfs/dbraw/zinc/47/10/72/981471072.db2.gz RBSXUTAFEKYQMN-LADGPHEKSA-N -1 3 414.505 3.927 20 0 HHADHM O=C(c1ccc(Br)cc1[O-])N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000436608487 981472182 /nfs/dbraw/zinc/47/21/82/981472182.db2.gz UJPQXEXRSFVGSN-HNNXBMFYSA-N -1 3 413.275 3.917 20 0 HHADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1ccc(-n2cncn2)nc1 ZINC000436609804 981472785 /nfs/dbraw/zinc/47/27/85/981472785.db2.gz XFKYLMXRMMBJLC-UHFFFAOYSA-N -1 3 414.450 3.897 20 0 HHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000436611872 981474227 /nfs/dbraw/zinc/47/42/27/981474227.db2.gz YYENISPHZNNCDZ-MJGOQNOKSA-N -1 3 407.432 3.810 20 0 HHADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CC[C@@H](CSc2ccccc2)C1 ZINC000436618010 981477398 /nfs/dbraw/zinc/47/73/98/981477398.db2.gz JXBFSNYMONVHEY-YLJYHZDGSA-N -1 3 410.539 3.638 20 0 HHADHM C[C@H](NC(=O)c1ccc(O)cc1[O-])c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000436621831 981479098 /nfs/dbraw/zinc/47/90/98/981479098.db2.gz FGMZPJZURMDBHM-AWEZNQCLSA-N -1 3 408.429 3.909 20 0 HHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCN(c2ccc(F)cn2)CC1 ZINC000436621176 981479217 /nfs/dbraw/zinc/47/92/17/981479217.db2.gz COVZADSMTLHJSJ-UHFFFAOYSA-N -1 3 405.473 3.674 20 0 HHADHM C[C@]1(CCc2ccccc2)CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000436624648 981480831 /nfs/dbraw/zinc/48/08/31/981480831.db2.gz KMAXQMPWWVMRAC-OFVILXPXSA-N -1 3 406.526 3.868 20 0 HHADHM O=C(Nc1nc(-c2ccccc2F)cs1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436630332 981483251 /nfs/dbraw/zinc/48/32/51/981483251.db2.gz MPSJZADKRUGXBX-KRWDZBQOSA-N -1 3 411.458 3.898 20 0 HHADHM O=C(Nc1ccc(Cl)c(OC(F)F)c1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436630416 981483874 /nfs/dbraw/zinc/48/38/74/981483874.db2.gz NNJYUWGUTQRXPL-CQSZACIVSA-N -1 3 410.804 3.890 20 0 HHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N(C)[C@@H](C)c3ccncc3)cs2)c1 ZINC000436632808 981484256 /nfs/dbraw/zinc/48/42/56/981484256.db2.gz CMZCNGGCVYARRL-AWEZNQCLSA-N -1 3 410.499 3.567 20 0 HHADHM Cc1ccc(SCCC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1C ZINC000436634935 981485105 /nfs/dbraw/zinc/48/51/05/981485105.db2.gz NQUNIZDNUFTVMD-UHFFFAOYSA-N -1 3 412.555 3.912 20 0 HHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N([C@@H](C)C(C)C)C3CC3)cs2)c1 ZINC000436635732 981485819 /nfs/dbraw/zinc/48/58/19/981485819.db2.gz VVXXXPWJPNHBLF-AWEZNQCLSA-N -1 3 401.532 3.987 20 0 HHADHM Cc1cc2occ(CC(=O)NC3CCN(C(=O)c4ccccc4[O-])CC3)c2cc1C ZINC000436635372 981485880 /nfs/dbraw/zinc/48/58/80/981485880.db2.gz UIHGHEFBYPMCKN-UHFFFAOYSA-N -1 3 406.482 3.719 20 0 HHADHM CS[C@@H]1CCC[C@H](NC(=O)Cc2csc(NC(=O)c3cc(C)ccc3[O-])n2)C1 ZINC000436635938 981486307 /nfs/dbraw/zinc/48/63/07/981486307.db2.gz NGXKTNTWDTXTDI-DZGCQCFKSA-N -1 3 419.572 3.742 20 0 HHADHM CCSCC[C@H](C)N(C)C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000436638321 981487681 /nfs/dbraw/zinc/48/76/81/981487681.db2.gz GPRXVKHQFJQMJR-AWEZNQCLSA-N -1 3 421.588 3.942 20 0 HHADHM O=C(NC1CCN(CCOc2ccc(Cl)cc2)CC1)c1cc(F)c([O-])c(F)c1 ZINC000436640119 981488966 /nfs/dbraw/zinc/48/89/66/981488966.db2.gz UGIBRVQVHQHTEU-UHFFFAOYSA-N -1 3 410.848 3.597 20 0 HHADHM CC(C)(C)O[C@H](C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccccc1 ZINC000436643423 981490181 /nfs/dbraw/zinc/49/01/81/981490181.db2.gz XLAMFWJNPDLIGJ-NRFANRHFSA-N -1 3 410.514 3.669 20 0 HHADHM C[C@H](NC(=O)c1c([O-])cccc1O)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000436646532 981491053 /nfs/dbraw/zinc/49/10/53/981491053.db2.gz IBUCDLTZFNEUCK-AWEZNQCLSA-N -1 3 408.429 3.909 20 0 HHADHM Cc1cc2c(cc1NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)OCO2 ZINC000436659700 981496215 /nfs/dbraw/zinc/49/62/15/981496215.db2.gz QINJXAVKXIBLFW-FQEVSTJZSA-N -1 3 418.449 3.929 20 0 HHADHM Cc1cc(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c(C)n1C1CCCCC1 ZINC000436660818 981497465 /nfs/dbraw/zinc/49/74/65/981497465.db2.gz BHSGXODUESHOMZ-UHFFFAOYSA-N -1 3 409.530 3.914 20 0 HHADHM Cc1ccc2c(c1)[nH]cc2C1=CCN(C(=O)CCNC(=O)c2ccc(C)cc2[O-])CC1 ZINC000436664541 981499119 /nfs/dbraw/zinc/49/91/19/981499119.db2.gz JSSWWHHQBWXONV-UHFFFAOYSA-N -1 3 417.509 3.926 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)N[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)c([O-])c1 ZINC000436664164 981499267 /nfs/dbraw/zinc/49/92/67/981499267.db2.gz HXXRTVSKDIZWBG-DOTOQJQBSA-N -1 3 406.404 3.512 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)N2CCC(Oc3ccc(C)c(C)c3)CC2)c([O-])c1 ZINC000436668350 981501480 /nfs/dbraw/zinc/50/14/80/981501480.db2.gz XTNZOKPLABDBAX-UHFFFAOYSA-N -1 3 410.514 3.507 20 0 HHADHM O=C(Nc1ccc(OCc2ccncc2)cc1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436675849 981506082 /nfs/dbraw/zinc/50/60/82/981506082.db2.gz MEGUCHWYUURUBK-OAQYLSRUSA-N -1 3 417.465 3.610 20 0 HHADHM COc1cc(-c2nc(Cc3ccn(-c4c(F)cccc4F)n3)no2)cc(OC)c1[O-] ZINC000436685278 981511702 /nfs/dbraw/zinc/51/17/02/981511702.db2.gz BGAAZYGNKKIUDC-UHFFFAOYSA-N -1 3 414.368 3.514 20 0 HHADHM Cc1ccc(C(=O)NCCc2nc(Cc3c[nH]c4cc(Cl)ccc34)no2)c([O-])c1 ZINC000436686354 981512442 /nfs/dbraw/zinc/51/24/42/981512442.db2.gz DZOZCDOKXRGMJA-UHFFFAOYSA-N -1 3 410.861 3.782 20 0 HHADHM CC[C@H](NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccc(Cl)s1 ZINC000436688882 981513785 /nfs/dbraw/zinc/51/37/85/981513785.db2.gz PIBDEMPFABJDDH-HNNXBMFYSA-N -1 3 407.923 3.726 20 0 HHADHM COc1cc(-c2noc(CCNC(=O)c3ccc(C)cc3[O-])n2)ccc1OC(C)C ZINC000436691292 981515146 /nfs/dbraw/zinc/51/51/46/981515146.db2.gz SMQRWWKYFWYTLB-UHFFFAOYSA-N -1 3 411.458 3.519 20 0 HHADHM [O-]c1cc2c(cc1-c1nc(-c3ccc(-n4cc(Cl)cn4)c(F)c3)no1)OCO2 ZINC000436691571 981515301 /nfs/dbraw/zinc/51/53/01/981515301.db2.gz YWUKAKRRFACECE-UHFFFAOYSA-N -1 3 400.753 3.816 20 0 HHADHM Cc1nn(Cc2ccc(C)cc2)c(C)c1CN1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436693753 981516635 /nfs/dbraw/zinc/51/66/35/981516635.db2.gz DEEFQDSBTGOUOL-UHFFFAOYSA-N -1 3 418.541 3.520 20 0 HHADHM CC(C)[C@H](Sc1ccccc1)C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436695544 981517944 /nfs/dbraw/zinc/51/79/44/981517944.db2.gz MGOWSISRQOWNDR-NRFANRHFSA-N -1 3 412.555 3.930 20 0 HHADHM Cc1ccc(OCc2nc(CN3CCN(C(=O)c4ccccc4[O-])CC3)cs2)cc1 ZINC000436695854 981518006 /nfs/dbraw/zinc/51/80/06/981518006.db2.gz GXPWVMAWZVNAEX-UHFFFAOYSA-N -1 3 423.538 3.694 20 0 HHADHM COC(=O)C[C@](C)(NC(=O)c1cc(Oc2ccccc2)ccc1[O-])c1ccccn1 ZINC000436701520 981520839 /nfs/dbraw/zinc/52/08/39/981520839.db2.gz AUYYIYJSOZHCIU-QHCPKHFHSA-N -1 3 406.438 3.788 20 0 HHADHM COc1ccc(C(=O)NC2(c3cccc(OC(F)(F)F)c3)CCOCC2)c([O-])c1 ZINC000436707655 981522973 /nfs/dbraw/zinc/52/29/73/981522973.db2.gz PFZQPBQMIMLOAP-UHFFFAOYSA-N -1 3 411.376 3.735 20 0 HHADHM COc1cccc2c1n[nH]c2C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000436709447 981523544 /nfs/dbraw/zinc/52/35/44/981523544.db2.gz WDJJVQAISOSBKF-UHFFFAOYSA-N -1 3 408.458 3.592 20 0 HHADHM O=C(N[C@H](CC(F)(F)F)c1ccccc1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436712070 981525440 /nfs/dbraw/zinc/52/54/40/981525440.db2.gz MESXWNISISZUNX-GOSISDBHSA-N -1 3 421.419 3.553 20 0 HHADHM O=C(N[C@@H](CC(F)(F)F)c1ccccc1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436712072 981525623 /nfs/dbraw/zinc/52/56/23/981525623.db2.gz MESXWNISISZUNX-SFHVURJKSA-N -1 3 421.419 3.553 20 0 HHADHM CC(=O)NCCN(C(=O)c1cc(Oc2ccccc2)ccc1[O-])C1CCSCC1 ZINC000436716837 981528331 /nfs/dbraw/zinc/52/83/31/981528331.db2.gz CTDLAQPGNGYWTD-UHFFFAOYSA-N -1 3 414.527 3.658 20 0 HHADHM C[C@@]1(C2CC2)NC(=O)N(c2cccc(NC(=O)c3ccc4c(c3[O-])CCCC4)c2)C1=O ZINC000436718179 981528973 /nfs/dbraw/zinc/52/89/73/981528973.db2.gz YLPPMFMWUFRSEK-DEOSSOPVSA-N -1 3 419.481 3.748 20 0 HHADHM O=C(c1cc(Br)cc(Cl)c1[O-])N1CCN(C2CCCCC2)CC1 ZINC000436720355 981530268 /nfs/dbraw/zinc/53/02/68/981530268.db2.gz DIMYGXXMKVJKMA-UHFFFAOYSA-N -1 3 401.732 3.899 20 0 HHADHM COc1ccc(C(=O)N2CCO[C@H](c3ccc(Br)cc3)[C@H]2C)c([O-])c1 ZINC000436721262 981531172 /nfs/dbraw/zinc/53/11/72/981531172.db2.gz IITIOXAVNQNZSD-XIKOKIGWSA-N -1 3 406.276 3.766 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)c2ccc(F)c(F)c2)c1 ZINC000436723497 981531887 /nfs/dbraw/zinc/53/18/87/981531887.db2.gz OHBMVKFBIRJOSH-SNVBAGLBSA-N -1 3 401.369 3.710 20 0 HHADHM CCOc1ccc(CN(C)C(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])cc1 ZINC000436725310 981532606 /nfs/dbraw/zinc/53/26/06/981532606.db2.gz XNRGRTVYVTXUPD-UHFFFAOYSA-N -1 3 409.442 3.612 20 0 HHADHM O=C(N[C@H]1CCCC[C@H]1Cc1ccccc1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436730695 981536311 /nfs/dbraw/zinc/53/63/11/981536311.db2.gz MGRSJVRLWMJOKL-UNMCSNQZSA-N -1 3 421.541 3.661 20 0 HHADHM Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c(F)cc1Br ZINC000436739552 981539611 /nfs/dbraw/zinc/53/96/11/981539611.db2.gz WORWYNADORMETQ-INIZCTEOSA-N -1 3 421.266 3.846 20 0 HHADHM O=C(Nc1cc(Cl)c(F)c(Cl)c1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436745937 981542817 /nfs/dbraw/zinc/54/28/17/981542817.db2.gz BQKCJWZFCMYOLO-UHFFFAOYSA-N -1 3 412.248 3.828 20 0 HHADHM O=C(Nc1ccccc1C(=O)N1CCOCC1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436757841 981548695 /nfs/dbraw/zinc/54/86/95/981548695.db2.gz VFVXEQBZNXZDQI-UHFFFAOYSA-N -1 3 416.477 3.708 20 0 HHADHM Cc1cc(CN2C(=O)c3ccccc3C2=O)cc(C(=O)N2CCc3ccccc32)c1[O-] ZINC000436757849 981548787 /nfs/dbraw/zinc/54/87/87/981548787.db2.gz XWLOIEJLBXIBFQ-UHFFFAOYSA-N -1 3 412.445 3.700 20 0 HHADHM Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436767339 981553497 /nfs/dbraw/zinc/55/34/97/981553497.db2.gz UPWSIVSWAJGGIO-FQEVSTJZSA-N -1 3 407.470 3.749 20 0 HHADHM COc1ccc(Oc2cc(CNC(=O)c3cc(OC)c([O-])c(OC)c3)ccn2)cc1 ZINC000436768563 981553958 /nfs/dbraw/zinc/55/39/58/981553958.db2.gz XCCIIQDOYCBMFW-UHFFFAOYSA-N -1 3 410.426 3.535 20 0 HHADHM CCc1oc2ccccc2c1CN(C)C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436772071 981555093 /nfs/dbraw/zinc/55/50/93/981555093.db2.gz ZNTSKZVOIWWNRG-LJQANCHMSA-N -1 3 406.482 3.964 20 0 HHADHM O=C(CCc1ccc(Cl)cc1Cl)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436774408 981556145 /nfs/dbraw/zinc/55/61/45/981556145.db2.gz MWGOOGBDIPXLAP-UHFFFAOYSA-N -1 3 407.297 3.616 20 0 HHADHM CC[C@H](Cc1ccccc1Br)NC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000436788109 981561276 /nfs/dbraw/zinc/56/12/76/981561276.db2.gz TTZZZAZVQPQPLH-CQSZACIVSA-N -1 3 405.292 3.864 20 0 HHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCN([C@@H](C)c3ccc(Cl)cc3)CC2)c1 ZINC000436786980 981561404 /nfs/dbraw/zinc/56/14/04/981561404.db2.gz GFNSXOVUXMLSLI-AWEZNQCLSA-N -1 3 401.894 3.523 20 0 HHADHM CCc1ccc(C(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c([O-])c1 ZINC000436798220 981567046 /nfs/dbraw/zinc/56/70/46/981567046.db2.gz RKEOZZGOCRPNMG-UHFFFAOYSA-N -1 3 413.827 3.984 20 0 HHADHM CC(C)Cn1nc(C(=O)Nc2cc(Br)ccc2[O-])c2ccccc2c1=O ZINC000436805706 981569842 /nfs/dbraw/zinc/56/98/42/981569842.db2.gz RXFNREIDKQKHDV-UHFFFAOYSA-N -1 3 416.275 3.773 20 0 HHADHM CCCc1nc(C)c(CNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)o1 ZINC000436805214 981569870 /nfs/dbraw/zinc/56/98/70/981569870.db2.gz RADHLLUDZCJAFG-FQEVSTJZSA-N -1 3 421.497 3.819 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCC[C@H](OCC2CC2)C1 ZINC000436821362 981576574 /nfs/dbraw/zinc/57/65/74/981576574.db2.gz PAZHXLUWBAWXPM-XZOQPEGZSA-N -1 3 422.525 3.671 20 0 HHADHM COc1ccc(C(=O)N[C@H](Cc2ccc(O)cc2)c2nc3ccccc3[nH]2)c([O-])c1 ZINC000436821452 981576700 /nfs/dbraw/zinc/57/67/00/981576700.db2.gz WRUXYUXNKXNABZ-HXUWFJFHSA-N -1 3 403.438 3.697 20 0 HHADHM CC(C)(CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])c1cccc(Cl)c1F ZINC000436823828 981577084 /nfs/dbraw/zinc/57/70/84/981577084.db2.gz DGMDEGIHGYZIJL-KRWDZBQOSA-N -1 3 418.896 3.883 20 0 HHADHM Cc1cc(C(F)(F)F)ccc1CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436847784 981588398 /nfs/dbraw/zinc/58/83/98/981588398.db2.gz LOALKMFTDAKXKY-KRWDZBQOSA-N -1 3 406.404 3.640 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCCC[C@H]1c1cc[nH]n1 ZINC000436856870 981594099 /nfs/dbraw/zinc/59/40/99/981594099.db2.gz VKTOOUVPERVEHL-VXKWHMMOSA-N -1 3 418.497 3.730 20 0 HHADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)c2ccc(OC3CCCCC3)cc2)CC1 ZINC000436860291 981595626 /nfs/dbraw/zinc/59/56/26/981595626.db2.gz NXOXEZYYESQCHH-UHFFFAOYSA-N -1 3 408.498 3.702 20 0 HHADHM CC(C)c1ccc(C(=O)N2CCCN(c3nnc(C(F)(F)F)s3)CC2)c([O-])c1 ZINC000436864139 981596368 /nfs/dbraw/zinc/59/63/68/981596368.db2.gz LECAUTACGJCODH-UHFFFAOYSA-N -1 3 414.453 3.738 20 0 HHADHM CC(C)(C)Oc1cc(F)ccc1NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436864816 981596641 /nfs/dbraw/zinc/59/66/41/981596641.db2.gz PJSCELGSYOQHDE-UHFFFAOYSA-N -1 3 415.465 3.699 20 0 HHADHM CC(C)(C)c1nc2cc(NC(=O)N3CCN(C(=O)c4ccccc4[O-])CC3)ccc2o1 ZINC000436864517 981596645 /nfs/dbraw/zinc/59/66/45/981596645.db2.gz NAYAVSYPBVGAEV-UHFFFAOYSA-N -1 3 422.485 3.821 20 0 HHADHM C[C@H](NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1cccc(Cl)c1Cl ZINC000436866462 981596917 /nfs/dbraw/zinc/59/69/17/981596917.db2.gz YJHQCJCOUPGNQZ-ZDUSSCGKSA-N -1 3 422.312 3.928 20 0 HHADHM C[C@H](NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1cc(Cl)ccc1Cl ZINC000436872445 981598136 /nfs/dbraw/zinc/59/81/36/981598136.db2.gz WNRVGEDZFMBKJL-ZDUSSCGKSA-N -1 3 422.312 3.928 20 0 HHADHM Cc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)c2ccc(C(C)C)cc2[O-])CC1 ZINC000436879770 981600042 /nfs/dbraw/zinc/60/00/42/981600042.db2.gz OGYVFDQQTULPIU-SFHVURJKSA-N -1 3 410.514 3.576 20 0 HHADHM C[C@@H](CC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccccc1C(F)(F)F ZINC000436883734 981600768 /nfs/dbraw/zinc/60/07/68/981600768.db2.gz BVUKMEDZLAOBDM-HNNXBMFYSA-N -1 3 420.431 3.889 20 0 HHADHM O=C(c1ccccc1[O-])N1CCN(C(=O)c2cc(C3CC3)nc3ccc(F)cc32)CC1 ZINC000436886944 981601749 /nfs/dbraw/zinc/60/17/49/981601749.db2.gz VLEGLWZMNADUTC-UHFFFAOYSA-N -1 3 419.456 3.555 20 0 HHADHM CN(C)CCN(Cc1ccccc1F)C(=O)c1cc(F)cc(Br)c1[O-] ZINC000436890191 981602508 /nfs/dbraw/zinc/60/25/08/981602508.db2.gz DVUQPSVQHMDMBB-UHFFFAOYSA-N -1 3 413.262 3.637 20 0 HHADHM O=C(CC1(CSc2ccccc2)CC1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436897656 981605628 /nfs/dbraw/zinc/60/56/28/981605628.db2.gz BOIFUXJKTUUAFI-UHFFFAOYSA-N -1 3 410.539 3.639 20 0 HHADHM O=C(NC1(Cc2ccc(F)cc2Br)CCOCC1)c1ccc(O)cc1[O-] ZINC000436902797 981609337 /nfs/dbraw/zinc/60/93/37/981609337.db2.gz UVBADLAYIXFSEI-UHFFFAOYSA-N -1 3 424.266 3.521 20 0 HHADHM C[C@H](CCc1ccco1)NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436904378 981609961 /nfs/dbraw/zinc/60/99/61/981609961.db2.gz PQIOXNLIYYMGNB-VGOFRKELSA-N -1 3 406.482 3.984 20 0 HHADHM COc1ccc(CCNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cc1 ZINC000436903990 981610161 /nfs/dbraw/zinc/61/01/61/981610161.db2.gz OPCPVIIETWFNGS-HSZRJFAPSA-N -1 3 418.493 3.621 20 0 HHADHM Cc1cc([C@H]2CCCN2C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)on1 ZINC000436905874 981611973 /nfs/dbraw/zinc/61/19/73/981611973.db2.gz BMEPKIZYOKIPRT-LEWJYISDSA-N -1 3 419.481 3.914 20 0 HHADHM C[C@@H]1c2cccn2CCN1C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436914377 981620090 /nfs/dbraw/zinc/62/00/90/981620090.db2.gz LCKFEZLLOXTPJU-UTKZUKDTSA-N -1 3 403.482 3.658 20 0 HHADHM CC(C)Cc1nnc(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)s1 ZINC000436915706 981621012 /nfs/dbraw/zinc/62/10/12/981621012.db2.gz SETCPYZZUPTAPE-GOSISDBHSA-N -1 3 424.526 3.942 20 0 HHADHM CC(C)(C)c1ccc(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1Cl ZINC000436916555 981621871 /nfs/dbraw/zinc/62/18/71/981621871.db2.gz UNUWLOVPSXFHCP-UHFFFAOYSA-N -1 3 400.906 3.941 20 0 HHADHM O=C(Nc1ccc(COC2CCCC2)cc1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436927136 981628570 /nfs/dbraw/zinc/62/85/70/981628570.db2.gz MMNSBVCWQMPQKI-UHFFFAOYSA-N -1 3 423.513 3.841 20 0 HHADHM CNC(=O)COc1ccc(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])c(C)c1 ZINC000436927122 981628637 /nfs/dbraw/zinc/62/86/37/981628637.db2.gz MKFMFICJAIMCNS-UHFFFAOYSA-N -1 3 406.438 3.870 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NC[C@@H]1COc2ccccc21 ZINC000436926746 981628759 /nfs/dbraw/zinc/62/87/59/981628759.db2.gz MVCHIARATUQYPH-DENIHFKCSA-N -1 3 416.477 3.546 20 0 HHADHM COc1ccc2c(c1)CCN2C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436930491 981630190 /nfs/dbraw/zinc/63/01/90/981630190.db2.gz GPPSZRQTASVTLR-JOCHJYFZSA-N -1 3 416.477 3.851 20 0 HHADHM COc1ccc(C(=O)N(CCc2ccc(Cl)cc2)C[C@@H](O)C(F)(F)F)c([O-])c1 ZINC000436931803 981631077 /nfs/dbraw/zinc/63/10/77/981631077.db2.gz KUTCQRCMGCKAIA-QGZVFWFLSA-N -1 3 417.811 3.662 20 0 HHADHM Cc1cn2cc(NC(=O)C[C@H](NC(=O)c3ccc([O-])cc3)c3ccccc3)ccc2n1 ZINC000436935961 981633487 /nfs/dbraw/zinc/63/34/87/981633487.db2.gz XTGMXTGDDIXOHX-NRFANRHFSA-N -1 3 414.465 3.848 20 0 HHADHM NC(=O)Cc1ccc(-c2noc(-c3cc(OCc4ccccc4)ccc3[O-])n2)cc1 ZINC000436936891 981634118 /nfs/dbraw/zinc/63/41/18/981634118.db2.gz DDDLMTIEMWTVMZ-UHFFFAOYSA-N -1 3 401.422 3.716 20 0 HHADHM O=C(Nc1ncc(-c2ccc(F)cc2)s1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436939288 981635602 /nfs/dbraw/zinc/63/56/02/981635602.db2.gz YCCACJWJVOYGEG-MRXNPFEDSA-N -1 3 411.458 3.898 20 0 HHADHM O=C(NC[C@@H]1CCCO1)Nc1ccc(NC(=O)c2ccc3c(c2[O-])CCCC3)cc1 ZINC000436949863 981640606 /nfs/dbraw/zinc/64/06/06/981640606.db2.gz SPZJHTHRLSGUSZ-SFHVURJKSA-N -1 3 409.486 3.824 20 0 HHADHM Cc1cccc(C2(CNC(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])CCCC2)c1 ZINC000436950241 981640819 /nfs/dbraw/zinc/64/08/19/981640819.db2.gz OLDFIDMGKOQZLL-OAQYLSRUSA-N -1 3 406.526 3.933 20 0 HHADHM CCC[C@H]1CCc2nc(NC(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])sc2C1 ZINC000436950619 981641194 /nfs/dbraw/zinc/64/11/94/981641194.db2.gz ZZKCDLIQHRCBLH-WMLDXEAASA-N -1 3 413.543 3.997 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)COc2c(C)cccc2C)c1 ZINC000436950818 981641280 /nfs/dbraw/zinc/64/12/80/981641280.db2.gz DFMFLFCRTGCFAW-HNNXBMFYSA-N -1 3 423.469 3.755 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCCc2c(C)cc(C)cc2C)c1 ZINC000436952321 981641983 /nfs/dbraw/zinc/64/19/83/981641983.db2.gz WSNRTWFOSCFQMI-UHFFFAOYSA-N -1 3 407.470 3.839 20 0 HHADHM [O-]c1cc2c(cc1-c1nc(-c3cc(Cl)ccc3O[C@H]3CCOC3)no1)OCO2 ZINC000436952069 981642025 /nfs/dbraw/zinc/64/20/25/981642025.db2.gz UOTBZTHWRVSTIA-NSHDSACASA-N -1 3 402.790 3.659 20 0 HHADHM CC(C)(CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])c1ccc(F)cc1Cl ZINC000436953324 981642991 /nfs/dbraw/zinc/64/29/91/981642991.db2.gz OHVRRLOXSNRQIM-SFHVURJKSA-N -1 3 418.896 3.883 20 0 HHADHM Cc1ccc(-c2nc(-c3ccc(N4CCN(c5ccccn5)CC4)nc3)no2)c([O-])c1 ZINC000436954311 981644347 /nfs/dbraw/zinc/64/43/47/981644347.db2.gz VJWUSXFJNDCLHN-UHFFFAOYSA-N -1 3 414.469 3.534 20 0 HHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000436957151 981645618 /nfs/dbraw/zinc/64/56/18/981645618.db2.gz WDOPFGWTGDCGPW-HOTGVXAUSA-N -1 3 416.880 3.709 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)c([O-])c1 ZINC000436956527 981645703 /nfs/dbraw/zinc/64/57/03/981645703.db2.gz MZUHKYCHHRHVJX-UHFFFAOYSA-N -1 3 417.465 3.712 20 0 HHADHM CCCCOc1ccc(C(=O)N2CCCN(C(=O)c3cccc(C)c3)CC2)c([O-])c1 ZINC000436971485 981656932 /nfs/dbraw/zinc/65/69/32/981656932.db2.gz KBFKLWNXWGRMIV-UHFFFAOYSA-N -1 3 410.514 3.868 20 0 HHADHM CCCCOc1ccc(C(=O)N2CCN(C(=O)Nc3cccc(C)c3)CC2)c([O-])c1 ZINC000436971900 981657829 /nfs/dbraw/zinc/65/78/29/981657829.db2.gz MBIDRUSLTVQPQL-UHFFFAOYSA-N -1 3 411.502 3.869 20 0 HHADHM CCCCOc1ccc(C(=O)N2CCC(C(=O)NCc3ccccc3)CC2)c([O-])c1 ZINC000436973324 981658562 /nfs/dbraw/zinc/65/85/62/981658562.db2.gz SYAPLJZYXBYTOU-UHFFFAOYSA-N -1 3 410.514 3.740 20 0 HHADHM CCCCOc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)c([O-])c1 ZINC000436974074 981659412 /nfs/dbraw/zinc/65/94/12/981659412.db2.gz WRFQBOAVMLBHNP-QGZVFWFLSA-N -1 3 411.502 3.765 20 0 HHADHM CCC1(CC)[C@H](N(C)C(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])C[C@@H]1OC ZINC000436974685 981659465 /nfs/dbraw/zinc/65/94/65/981659465.db2.gz AQYAPJFCPWHOCZ-MOPGFXCFSA-N -1 3 415.490 3.607 20 0 HHADHM CC(C)(C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1)c1cccc(Cl)c1F ZINC000436975958 981661338 /nfs/dbraw/zinc/66/13/38/981661338.db2.gz AYGAAAXIKIDWKQ-UHFFFAOYSA-N -1 3 418.896 3.883 20 0 HHADHM CCCCOc1ccc(C(=O)N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c([O-])c1 ZINC000436977803 981661929 /nfs/dbraw/zinc/66/19/29/981661929.db2.gz SUCXOOZSOIUTSF-UHFFFAOYSA-N -1 3 421.497 3.651 20 0 HHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NC[C@H](C)c3ccccc3)cs2)c1 ZINC000436977016 981662088 /nfs/dbraw/zinc/66/20/88/981662088.db2.gz COGINJYIFRWNKM-HNNXBMFYSA-N -1 3 409.511 3.872 20 0 HHADHM COc1ccc(F)cc1NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000436978750 981662860 /nfs/dbraw/zinc/66/28/60/981662860.db2.gz IJCAUNZHOJSZCZ-UHFFFAOYSA-N -1 3 415.446 3.738 20 0 HHADHM CCCCOc1ccc(C(=O)N2CCC3(C[C@@H]3C(=O)N3CCCCC3)CC2)c([O-])c1 ZINC000436979873 981663503 /nfs/dbraw/zinc/66/35/03/981663503.db2.gz NGBRVZZNTHZBGC-HXUWFJFHSA-N -1 3 414.546 3.826 20 0 HHADHM CCCCOc1ccc(C(=O)N(C)[C@H]2CS(=O)(=O)c3ccc(Cl)cc32)c([O-])c1 ZINC000436980364 981664319 /nfs/dbraw/zinc/66/43/19/981664319.db2.gz NBSQBRLPCQLRTM-KRWDZBQOSA-N -1 3 423.918 3.825 20 0 HHADHM Cc1cnc([C@H](C)NC(=O)Cc2csc(NC(=O)c3cc(C)ccc3[O-])n2)s1 ZINC000436980782 981664328 /nfs/dbraw/zinc/66/43/28/981664328.db2.gz PATMLYHLJPIRCL-LBPRGKRZSA-N -1 3 416.528 3.594 20 0 HHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N(Cc3ccco3)C(C)C)cs2)c1 ZINC000436980153 981664454 /nfs/dbraw/zinc/66/44/54/981664454.db2.gz OPRUUDWVAJGURV-UHFFFAOYSA-N -1 3 413.499 3.982 20 0 HHADHM CCOc1cccc([C@H]2C[C@@H]2NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])c1 ZINC000436981810 981665090 /nfs/dbraw/zinc/66/50/90/981665090.db2.gz VGAUINVBSHFLBO-XLIONFOSSA-N -1 3 421.453 3.626 20 0 HHADHM O=C(Nc1cc(C(F)F)ccc1Cl)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436984075 981666565 /nfs/dbraw/zinc/66/65/65/981666565.db2.gz LPONZWKCXODLMR-UHFFFAOYSA-N -1 3 409.820 3.973 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCCC[C@@H]1CCCCO1 ZINC000436984128 981666875 /nfs/dbraw/zinc/66/68/75/981666875.db2.gz 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Cn1c2cc([O-])c(NC(=O)c3ccc(C(C)(C)C(F)(F)F)cc3)cc2n(C)c1=O ZINC000461624976 983247117 /nfs/dbraw/zinc/24/71/17/983247117.db2.gz SLGWTCCUNIBVFY-UHFFFAOYSA-N -1 3 407.392 3.675 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)Nc3ccc(CSC)cc3)c2)n1 ZINC000439539544 983441089 /nfs/dbraw/zinc/44/10/89/983441089.db2.gz DMFJCDGJCNISLN-UHFFFAOYSA-N -1 3 422.510 3.852 20 0 HHADHM Cc1cc(N2CCC(NC(=O)c3cc(CCc4ccccc4)ccc3[O-])CC2)n[nH]1 ZINC000439939765 983588762 /nfs/dbraw/zinc/58/87/62/983588762.db2.gz VKPGXQYLFJNWIH-UHFFFAOYSA-N -1 3 404.514 3.608 20 0 HHADHM O=C(Nc1cc(Cl)c(Cl)cc1F)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000439955834 983593777 /nfs/dbraw/zinc/59/37/77/983593777.db2.gz FKXBBBRMJQVIQC-UHFFFAOYSA-N -1 3 412.248 3.828 20 0 HHADHM CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000440252454 983698012 /nfs/dbraw/zinc/69/80/12/983698012.db2.gz TXMVLIWSBCASDV-HRAATJIYSA-N -1 3 414.525 3.677 20 0 HHADHM Cc1noc(C2CCC([N-]S(=O)(=O)c3csc(-c4ccccc4)n3)CC2)n1 ZINC000440398817 983744465 /nfs/dbraw/zinc/74/44/65/983744465.db2.gz MGFIHQRHWZBJRT-UHFFFAOYSA-N -1 3 404.517 3.506 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(COCC(F)(F)F)cc2)c(F)cc1F ZINC000440418252 983750403 /nfs/dbraw/zinc/75/04/03/983750403.db2.gz STTFFLFEOIHBRU-UHFFFAOYSA-N -1 3 409.376 3.831 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)C3(CC(C)C)CC3)c2)cc1 ZINC000440628667 983828139 /nfs/dbraw/zinc/82/81/39/983828139.db2.gz WMOWEHSPTJCPBO-UHFFFAOYSA-N -1 3 416.543 3.939 20 0 HHADHM O=C([N-]c1nnc(C(F)F)s1)c1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000440692295 983855853 /nfs/dbraw/zinc/85/58/53/983855853.db2.gz LFWARXSJYIXNMO-UHFFFAOYSA-N -1 3 423.470 3.688 20 0 HHADHM O=C(COc1ccccc1)N1CCC(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)CC1 ZINC000440987790 984013562 /nfs/dbraw/zinc/01/35/62/984013562.db2.gz XPTPPNWIWAIDSG-UHFFFAOYSA-N -1 3 422.403 3.667 20 0 HHADHM COC(=O)c1sc2[n-]c(CN3C[C@@H](c4ccccc4)C(C)(C)C3)nc(=O)c2c1C ZINC000441072010 984055231 /nfs/dbraw/zinc/05/52/31/984055231.db2.gz WANWTWKVGKIQGP-HNNXBMFYSA-N -1 3 411.527 3.705 20 0 HHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CCCC[C@@H](SC)C3)nc(=O)c2c1C ZINC000441110973 984073667 /nfs/dbraw/zinc/07/36/67/984073667.db2.gz IBBIIOIZEJPQDY-QWHCGFSZSA-N -1 3 409.577 3.748 20 0 HHADHM Cc1ccc(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)c(N2CCOCC2)c1 ZINC000441545389 984314508 /nfs/dbraw/zinc/31/45/08/984314508.db2.gz RVEGTTCHUALCBT-UHFFFAOYSA-N -1 3 421.371 3.678 20 0 HHADHM Cn1c2cc([O-])c(NC(=O)CCCSc3ccc(Cl)cc3)cc2n(C)c1=O ZINC000461630488 984650777 /nfs/dbraw/zinc/65/07/77/984650777.db2.gz IKWUJVLAPYDUKK-UHFFFAOYSA-N -1 3 405.907 3.747 20 0 HHADHM Cn1c2cc([O-])c(NC(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3Cl)cc2n(C)c1=O ZINC000461633443 984654693 /nfs/dbraw/zinc/65/46/93/984654693.db2.gz SQTYZOLTOVWKEP-RYUDHWBXSA-N -1 3 406.269 3.632 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N3C[C@@H](C)[C@H]3c3ccccc3)c2)n1 ZINC000442565556 985056149 /nfs/dbraw/zinc/05/61/49/985056149.db2.gz ILGXKMVIQPCPJY-VFNWGFHPSA-N -1 3 416.481 3.570 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2C[C@@H]2c2c(F)cccc2F)s1 ZINC000462128162 985098687 /nfs/dbraw/zinc/09/86/87/985098687.db2.gz GKWSHAYDXFEMSG-QPUJVOFHSA-N -1 3 408.289 3.932 20 0 HHADHM CSC[C@@H](C)C(=O)N1CCC(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)CC1 ZINC000442633592 985109712 /nfs/dbraw/zinc/10/97/12/985109712.db2.gz DFOGRXHDKYPARD-LLVKDONJSA-N -1 3 404.454 3.587 20 0 HHADHM Cc1cc(C[C@H](C)[N-]S(=O)(=O)c2cnccc2C(F)(F)F)n(-c2ccccc2)n1 ZINC000442734718 985193474 /nfs/dbraw/zinc/19/34/74/985193474.db2.gz GPNFIARINXTMAQ-AWEZNQCLSA-N -1 3 424.448 3.504 20 0 HHADHM C[C@H](Cc1ccccc1Br)[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000442762196 985207543 /nfs/dbraw/zinc/20/75/43/985207543.db2.gz GSXCATCUETYZMT-SNVBAGLBSA-N -1 3 423.254 3.772 20 0 HHADHM O=S(=O)([N-][C@H]1CCOc2c(F)cccc21)c1cc(Br)ccc1F ZINC000442782366 985214057 /nfs/dbraw/zinc/21/40/57/985214057.db2.gz PXGALTGYZJHPRX-ZDUSSCGKSA-N -1 3 404.232 3.529 20 0 HHADHM C[C@@H](Cc1ccc(Br)cc1)[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000442808551 985222155 /nfs/dbraw/zinc/22/21/55/985222155.db2.gz HUUQQNJLRXOPGV-JTQLQIEISA-N -1 3 423.254 3.772 20 0 HHADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)c(C)cc2Cl)c(OC)c1 ZINC000442825657 985230506 /nfs/dbraw/zinc/23/05/06/985230506.db2.gz LKEJAZYYILWBDL-UHFFFAOYSA-N -1 3 404.271 3.898 20 0 HHADHM O=S(=O)([N-][C@H]1C[C@H]1c1ccccc1C(F)(F)F)c1ccc(Br)cn1 ZINC000462257084 985242993 /nfs/dbraw/zinc/24/29/93/985242993.db2.gz IGFGGUJBVUQIKU-AAEUAGOBSA-N -1 3 421.238 3.697 20 0 HHADHM CC(C)c1nc([C@H](C)NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)cs1 ZINC000442859763 985248862 /nfs/dbraw/zinc/24/88/62/985248862.db2.gz KIYRGFSPJPLDBO-NSHDSACASA-N -1 3 405.948 3.688 20 0 HHADHM Cc1ccc([C@H](C)N(C)S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c(C)c1 ZINC000442929607 985284918 /nfs/dbraw/zinc/28/49/18/985284918.db2.gz SDARNGHHXAJMNE-ZDUSSCGKSA-N -1 3 405.911 3.519 20 0 HHADHM Cc1ccc([C@H](C)N(C)S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c(C)c1 ZINC000442929607 985284928 /nfs/dbraw/zinc/28/49/28/985284928.db2.gz SDARNGHHXAJMNE-ZDUSSCGKSA-N -1 3 405.911 3.519 20 0 HHADHM COc1ccccc1[C@@]1(C)C[C@@H]1[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000462312927 985299659 /nfs/dbraw/zinc/29/96/59/985299659.db2.gz HDTDPPOERHMQHB-GOEBONIOSA-N -1 3 416.362 3.836 20 0 HHADHM O=C1[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2F)CCCN1c1ccccc1Cl ZINC000462317141 985304002 /nfs/dbraw/zinc/30/40/02/985304002.db2.gz LMSMREVOICPYHX-CQSZACIVSA-N -1 3 417.289 3.606 20 0 HHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]Cc2coc(-c3ccccc3)n2)cc1Cl ZINC000462317767 985305742 /nfs/dbraw/zinc/30/57/42/985305742.db2.gz CZKVIQZJSYKABA-UHFFFAOYSA-N -1 3 423.853 3.571 20 0 HHADHM CN1CCC[C@@H](C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)[C@@H]1c1cccs1 ZINC000462317906 985306209 /nfs/dbraw/zinc/30/62/09/985306209.db2.gz RTCRMKJXRDSQPY-APPDUMDISA-N -1 3 404.479 3.527 20 0 HHADHM O=S(=O)([N-]Cc1coc(-c2ccccc2)n1)c1cc(C(F)(F)F)ccc1F ZINC000462326208 985316405 /nfs/dbraw/zinc/31/64/05/985316405.db2.gz RRIFVXASQIFSFJ-UHFFFAOYSA-N -1 3 400.353 3.978 20 0 HHADHM COc1ccccc1[C@]1(C)C[C@H]1[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000462327576 985317843 /nfs/dbraw/zinc/31/78/43/985317843.db2.gz OUONVWHGIUNPDI-SJORKVTESA-N -1 3 414.296 3.605 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2coc(-c3ccccc3)n2)s1 ZINC000462327805 985318468 /nfs/dbraw/zinc/31/84/68/985318468.db2.gz YGSUAKOTURTWBH-UHFFFAOYSA-N -1 3 413.318 3.953 20 0 HHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCSc2ccc(F)cc21 ZINC000443023242 985341467 /nfs/dbraw/zinc/34/14/67/985341467.db2.gz JEEOCMGISZXGDJ-CQSZACIVSA-N -1 3 415.895 3.781 20 0 HHADHM C[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c2ccccc21 ZINC000443048122 985351812 /nfs/dbraw/zinc/35/18/12/985351812.db2.gz LXWSXTSKFCREDJ-LBPRGKRZSA-N -1 3 403.895 3.613 20 0 HHADHM C[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c2ccccc21 ZINC000443048122 985351828 /nfs/dbraw/zinc/35/18/28/985351828.db2.gz LXWSXTSKFCREDJ-LBPRGKRZSA-N -1 3 403.895 3.613 20 0 HHADHM COCCOc1ccc(S(=O)(=O)[N-]c2cccc3c2CN([C@H](C)C(C)C)C3)cc1 ZINC000462370132 985355854 /nfs/dbraw/zinc/35/58/54/985355854.db2.gz MSUNTXFWGQHUCM-QGZVFWFLSA-N -1 3 418.559 3.873 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000443068443 985360221 /nfs/dbraw/zinc/36/02/21/985360221.db2.gz KZSMNMVENSOGNG-LLVKDONJSA-N -1 3 419.396 3.541 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]CCCCc1nc(C)cs1 ZINC000443074428 985362975 /nfs/dbraw/zinc/36/29/75/985362975.db2.gz XQWXJBUKZXIZIP-UHFFFAOYSA-N -1 3 424.569 3.754 20 0 HHADHM CO[C@@](C)(CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C)C1CC1 ZINC000462385420 985367563 /nfs/dbraw/zinc/36/75/63/985367563.db2.gz WXCWYZPFMYFNPN-QFIPXVFZSA-N -1 3 416.543 3.649 20 0 HHADHM CCOc1cc(-c2noc(CN(C)[C@H]3CCSC3)n2)cc(Br)c1[O-] ZINC000443094039 985372110 /nfs/dbraw/zinc/37/21/10/985372110.db2.gz KLHJECIZUDOFJO-NSHDSACASA-N -1 3 414.325 3.541 20 0 HHADHM CO[C@@H](C[N-]S(=O)(=O)c1ccc(Br)s1)c1ccc(Cl)cc1 ZINC000462397614 985376504 /nfs/dbraw/zinc/37/65/04/985376504.db2.gz VWRJSZZOLNHOJZ-NSHDSACASA-N -1 3 410.742 3.830 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000443112278 985382096 /nfs/dbraw/zinc/38/20/96/985382096.db2.gz WIHDZNINAKNZIB-VIFPVBQESA-N -1 3 406.262 3.959 20 0 HHADHM COc1cccc(F)c1[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000462406303 985382823 /nfs/dbraw/zinc/38/28/23/985382823.db2.gz HTHIOSZJOFDNSM-VIFPVBQESA-N -1 3 418.849 3.625 20 0 HHADHM Cc1csc([C@H]([N-]S(=O)(=O)c2ccc(F)cc2Br)C2CC2)n1 ZINC000462413310 985387571 /nfs/dbraw/zinc/38/75/71/985387571.db2.gz VHCHJDDLNSMBEI-CYBMUJFWSA-N -1 3 405.314 3.783 20 0 HHADHM Cc1nn(C)c(C)c1C[C@@H](C)[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000462417091 985389736 /nfs/dbraw/zinc/38/97/36/985389736.db2.gz CKJARNOSPDWZSE-LLVKDONJSA-N -1 3 424.979 3.723 20 0 HHADHM Cc1cnc([C@H]([N-]S(=O)(=O)c2ccc(Br)c(F)c2)C2CC2)s1 ZINC000462422668 985394844 /nfs/dbraw/zinc/39/48/44/985394844.db2.gz USVYXFWBPHKQEL-CYBMUJFWSA-N -1 3 405.314 3.783 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCCN2CCc3ccccc32)s1 ZINC000462455183 985417332 /nfs/dbraw/zinc/41/73/32/985417332.db2.gz JXIRZFIOGCCFRT-UHFFFAOYSA-N -1 3 415.378 3.550 20 0 HHADHM CC1CCN([C@@H](C[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c2cccs2)CC1 ZINC000462474093 985431428 /nfs/dbraw/zinc/43/14/28/985431428.db2.gz RBWVCNDTRCTINS-INIZCTEOSA-N -1 3 418.506 3.917 20 0 HHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H](CO)Cc1c[nH]c2ccccc12 ZINC000443227934 985452686 /nfs/dbraw/zinc/45/26/86/985452686.db2.gz XWNXJSKUFLSGLN-OAHLLOKOSA-N -1 3 418.902 3.758 20 0 HHADHM C[C@H](Cc1ccc(Br)cc1)[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000462516245 985466660 /nfs/dbraw/zinc/46/66/60/985466660.db2.gz HBTQXGOMJPTZBB-SECBINFHSA-N -1 3 408.239 3.776 20 0 HHADHM CCOC(=O)[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)[C@@H](C)CC ZINC000462566984 985514728 /nfs/dbraw/zinc/51/47/28/985514728.db2.gz VRUAKDWDUPZGFH-TVQRCGJNSA-N -1 3 401.834 3.615 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C(C)(C)c1ncc(C)s1 ZINC000443361694 985523269 /nfs/dbraw/zinc/52/32/69/985523269.db2.gz YXAFMAKOKAQLAD-UHFFFAOYSA-N -1 3 410.542 3.666 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](CC(C)C)c1ccccc1OC ZINC000443376623 985537168 /nfs/dbraw/zinc/53/71/68/985537168.db2.gz WDDKFCRORPRVBN-MRXNPFEDSA-N -1 3 409.479 3.687 20 0 HHADHM CCC(=O)NCc1cc(S(=O)(=O)[N-]c2ccc(O[C@@H](C)CC)cc2)ccc1OC ZINC000443453660 985622702 /nfs/dbraw/zinc/62/27/02/985622702.db2.gz ILCQHZFLODUDOK-HNNXBMFYSA-N -1 3 420.531 3.700 20 0 HHADHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(OC)c(CNC(=O)CC)c2)cc1 ZINC000443469398 985643759 /nfs/dbraw/zinc/64/37/59/985643759.db2.gz XGCDOAVPJGNHFL-UHFFFAOYSA-N -1 3 404.532 3.865 20 0 HHADHM Cc1cc(C)nc(NC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c1 ZINC000462714021 985659672 /nfs/dbraw/zinc/65/96/72/985659672.db2.gz CICIRYARGZTSGH-UHFFFAOYSA-N -1 3 402.882 3.940 20 0 HHADHM COC(=O)c1csc(S(=O)(=O)[N-]Cc2ccc(-c3ccc(OC)cc3)cc2)c1 ZINC000462718108 985664839 /nfs/dbraw/zinc/66/48/39/985664839.db2.gz YZYCKLXXKBHBMV-UHFFFAOYSA-N -1 3 417.508 3.689 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1Oc1cccc(C)c1 ZINC000443507744 985678672 /nfs/dbraw/zinc/67/86/72/985678672.db2.gz ITVUNYKMBNKISU-QZTJIDSGSA-N -1 3 421.490 3.589 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]Cc1nc(C2CC2)cs1 ZINC000443507829 985678924 /nfs/dbraw/zinc/67/89/24/985678924.db2.gz HMERSRHCFRFQIX-UHFFFAOYSA-N -1 3 408.526 3.500 20 0 HHADHM CC(=O)Nc1ccc([O-])c(C(=O)NCC2(c3cc(F)cc(C(F)(F)F)c3)CC2)c1 ZINC000443562684 985735608 /nfs/dbraw/zinc/73/56/08/985735608.db2.gz UZFDTYYKVDKLQL-UHFFFAOYSA-N -1 3 410.367 3.970 20 0 HHADHM COC(=O)Cc1sc([N-]C(=O)c2cc(-c3ccccn3)no2)nc1-c1ccccc1 ZINC000468122590 985786477 /nfs/dbraw/zinc/78/64/77/985786477.db2.gz YNJSAXHECGLPMF-UHFFFAOYSA-N -1 3 420.450 3.828 20 0 HHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N(CC1CCC1)CC(F)(F)F ZINC000443617411 985794735 /nfs/dbraw/zinc/79/47/35/985794735.db2.gz WPWBZFIREKCKFV-UHFFFAOYSA-N -1 3 408.424 3.676 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C3(C4CC4)CCOCC3)cc2)cc1 ZINC000462905346 985835442 /nfs/dbraw/zinc/83/54/42/985835442.db2.gz XTOUFUDRMALYPB-UHFFFAOYSA-N -1 3 414.527 3.941 20 0 HHADHM O=S(=O)([N-]CCOc1ccccc1Cl)c1cc(F)ccc1Br ZINC000443715161 985926330 /nfs/dbraw/zinc/92/63/30/985926330.db2.gz AXLDWQIDBFUERQ-UHFFFAOYSA-N -1 3 408.676 3.599 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC000463017946 985975143 /nfs/dbraw/zinc/97/51/43/985975143.db2.gz AYCQMDWYFKLSHN-YJBOKZPZSA-N -1 3 405.292 3.874 20 0 HHADHM COC(=O)c1cc([N-]C(=O)c2c(F)cc(C(F)(F)F)cc2F)cc(C(=O)OC)c1 ZINC000463065791 986022555 /nfs/dbraw/zinc/02/25/55/986022555.db2.gz VSIBFCQYLJJVKW-UHFFFAOYSA-N -1 3 417.286 3.809 20 0 HHADHM O=C(c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)N1CCC[C@H]1c1cccnc1 ZINC000443928976 986136257 /nfs/dbraw/zinc/13/62/57/986136257.db2.gz QMBJEDBEGKGYHB-HNNXBMFYSA-N -1 3 403.360 3.799 20 0 HHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC[C@H]3CCSC3)c2)cc1 ZINC000468458844 986153089 /nfs/dbraw/zinc/15/30/89/986153089.db2.gz JMWJYKWYONNDDW-MRXNPFEDSA-N -1 3 404.557 3.587 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3cncc(C)c3)ccc2C)cc1 ZINC000463244121 986212175 /nfs/dbraw/zinc/21/21/75/986212175.db2.gz VZJXHRBKMJXFJW-UHFFFAOYSA-N -1 3 411.483 3.760 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CN3CCSCC3)c2)cc1Cl ZINC000444030055 986225995 /nfs/dbraw/zinc/22/59/95/986225995.db2.gz JIDXIVOALCIBSF-UHFFFAOYSA-N -1 3 412.964 3.698 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CN3CCSCC3)c2)c(C)c1C ZINC000444036595 986233980 /nfs/dbraw/zinc/23/39/80/986233980.db2.gz LMBJUGPZOKQYSW-UHFFFAOYSA-N -1 3 406.573 3.662 20 0 HHADHM Cc1c(CN2CCSCC2)cccc1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000444038214 986236507 /nfs/dbraw/zinc/23/65/07/986236507.db2.gz XOQIKPOARKWATK-UHFFFAOYSA-N -1 3 416.490 3.762 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)NC[C@@H]3Cc4ccccc4N(C)C3)cc2)cc(=O)[n-]1 ZINC000444043693 986241464 /nfs/dbraw/zinc/24/14/64/986241464.db2.gz HDRJTSQKZLCXAM-INIZCTEOSA-N -1 3 403.486 3.588 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000468573767 986279689 /nfs/dbraw/zinc/27/96/89/986279689.db2.gz FWABTAJTBGZBFA-UHFFFAOYSA-N -1 3 420.506 3.667 20 0 HHADHM Cn1c(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc2cc(C(F)(F)F)ccc21 ZINC000463328680 986296429 /nfs/dbraw/zinc/29/64/29/986296429.db2.gz KWBMARHOXAACFZ-UHFFFAOYSA-N -1 3 411.405 3.821 20 0 HHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CCOC4(CCCCC4)C3)nc(=O)c2c1C ZINC000444213746 986396739 /nfs/dbraw/zinc/39/67/39/986396739.db2.gz QCZBBKCYPNCVAU-AWEZNQCLSA-N -1 3 419.547 3.566 20 0 HHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000444214768 986398086 /nfs/dbraw/zinc/39/80/86/986398086.db2.gz ATWNBBTVFVVVBN-BDJLRTHQSA-N -1 3 409.401 3.642 20 0 HHADHM O=S(=O)([N-]CC1CCN(CC(F)(F)F)CC1)c1cccc(Cl)c1Cl ZINC000444219121 986402625 /nfs/dbraw/zinc/40/26/25/986402625.db2.gz LPIUEBZNUWYJKX-UHFFFAOYSA-N -1 3 405.269 3.546 20 0 HHADHM CO[C@@](C)(C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1)C1CC1 ZINC000463464270 986443197 /nfs/dbraw/zinc/44/31/97/986443197.db2.gz JWBAHRYDGJPERS-OAQYLSRUSA-N -1 3 402.516 3.858 20 0 HHADHM CC[C@@]1(c2ccc(NC(=O)CCCc3ccc([O-])c(F)c3)cc2)CCC(=O)NC1=O 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ZINC000444832481 986990504 /nfs/dbraw/zinc/99/05/04/986990504.db2.gz DPLVDHLZPLGBMO-UHFFFAOYSA-N -1 3 419.485 3.645 20 0 HHADHM CC[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC ZINC000469324906 987034294 /nfs/dbraw/zinc/03/42/94/987034294.db2.gz YSOJYIJMFMBQJA-JQWIXIFHSA-N -1 3 403.850 3.763 20 0 HHADHM CC(F)(F)c1cccc(NC(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000444938500 987082327 /nfs/dbraw/zinc/08/23/27/987082327.db2.gz YHRRUUKWVPOGJM-UHFFFAOYSA-N -1 3 423.894 3.613 20 0 HHADHM CCOC(=O)c1nc(C2CCN(C(=O)N[C@@H](C)CCC3CCCCC3)CC2)n[n-]1 ZINC000444960587 987095499 /nfs/dbraw/zinc/09/54/99/987095499.db2.gz XNCWVVREIUQBJV-HNNXBMFYSA-N -1 3 405.543 3.619 20 0 HHADHM CCOC(=O)c1nnc(C2CCN(C(=O)N[C@@H](C)CCC3CCCCC3)CC2)[n-]1 ZINC000444960587 987095504 /nfs/dbraw/zinc/09/55/04/987095504.db2.gz XNCWVVREIUQBJV-HNNXBMFYSA-N -1 3 405.543 3.619 20 0 HHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](CC(F)(F)F)c2ccccc2C)cc1F ZINC000444973603 987102688 /nfs/dbraw/zinc/10/26/88/987102688.db2.gz 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CC(C)c1ccc(-c2noc(-c3ccc(F)c(S(=O)(=O)[N-]C4CC4)c3)n2)cn1 ZINC000445504804 987565344 /nfs/dbraw/zinc/56/53/44/987565344.db2.gz PZRSUUOMMHGMIZ-UHFFFAOYSA-N -1 3 402.451 3.502 20 0 HHADHM C[N-]S(=O)(=O)c1cc(-c2nc(C(C)(C)c3ccc(Cl)cc3F)no2)c(C)o1 ZINC000445591172 987657390 /nfs/dbraw/zinc/65/73/90/987657390.db2.gz KEVMJPOOUXBUOJ-UHFFFAOYSA-N -1 3 413.858 3.665 20 0 HHADHM CCS(=O)(=O)c1ccc(-c2noc(-c3ccc4c(c3[O-])OC(C)(C)C4)n2)cc1 ZINC000445593669 987660895 /nfs/dbraw/zinc/66/08/95/987660895.db2.gz RIJUTZSMSYKFCM-UHFFFAOYSA-N -1 3 400.456 3.616 20 0 HHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(-c2nc(-c3cnn(C(C)(C)C)c3)no2)ccc1F ZINC000445646877 987721012 /nfs/dbraw/zinc/72/10/12/987721012.db2.gz ISUJHQJDVQMYGK-UHFFFAOYSA-N -1 3 421.498 3.571 20 0 HHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H](c1nc[nH]n1)c1ccccc1 ZINC000445737093 987800490 /nfs/dbraw/zinc/80/04/90/987800490.db2.gz UHSSUTJJSYXERK-MRXNPFEDSA-N -1 3 402.863 3.581 20 0 HHADHM CCc1cnc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)s1 ZINC000464093490 988215199 /nfs/dbraw/zinc/21/51/99/988215199.db2.gz ZQKXZKNMWNIMRE-UHFFFAOYSA-N -1 3 405.476 3.898 20 0 HHADHM CCOC(=O)c1ccc(NC(=O)c2cnn(-c3ccccc3OC)c2CC)c([O-])c1 ZINC000470382680 988342809 /nfs/dbraw/zinc/34/28/09/988342809.db2.gz LEVWDZZYOYLHOF-UHFFFAOYSA-N -1 3 409.442 3.578 20 0 HHADHM Cc1nc(C)c(CCC(=O)NCc2ccc(OCc3ccccc3F)cc2)c(=O)[n-]1 ZINC000464266898 988382713 /nfs/dbraw/zinc/38/27/13/988382713.db2.gz OVOJYFZUACGMDM-UHFFFAOYSA-N -1 3 409.461 3.766 20 0 HHADHM CC(C)[C@H](NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1)C(F)(F)F ZINC000470454463 988436941 /nfs/dbraw/zinc/43/69/41/988436941.db2.gz ZFLYYKZLDSPVOX-HNNXBMFYSA-N -1 3 421.847 3.993 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCC(C)(C)C3)c2)cc1 ZINC000464505995 988683305 /nfs/dbraw/zinc/68/33/05/988683305.db2.gz BZYWRMMSKCJDGA-UHFFFAOYSA-N -1 3 402.516 3.677 20 0 HHADHM O=c1[n-]nc(SCc2cc(Br)cc3cccnc32)n1C[C@H]1CCCO1 ZINC000470818410 988884220 /nfs/dbraw/zinc/88/42/20/988884220.db2.gz XQSSBHGCYUZJPL-CQSZACIVSA-N -1 3 421.320 3.766 20 0 HHADHM CCSCC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000464710498 988923672 /nfs/dbraw/zinc/92/36/72/988923672.db2.gz NIYCSHCTBUJVLU-CQSZACIVSA-N -1 3 410.536 3.888 20 0 HHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N(C)CCc3cccs3)nc(=O)c2c1C ZINC000464769789 988993287 /nfs/dbraw/zinc/99/32/87/988993287.db2.gz JVIHMKGMZHYWJR-LBPRGKRZSA-N -1 3 405.545 3.767 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)C3=CCCC3)c2)cc1 ZINC000471169350 989295884 /nfs/dbraw/zinc/29/58/84/989295884.db2.gz NXAZMJZIFGHJEY-UHFFFAOYSA-N -1 3 416.499 3.944 20 0 HHADHM C[C@H](c1nc(-c2ccccc2)no1)S(=O)(=O)c1nc(CCC2CCCC2)n[n-]1 ZINC000465030258 989353938 /nfs/dbraw/zinc/35/39/38/989353938.db2.gz SAPAQCOGAGVRRA-CYBMUJFWSA-N -1 3 401.492 3.512 20 0 HHADHM C[C@H](c1nc(-c2ccccc2)no1)S(=O)(=O)c1nnc(CCC2CCCC2)[n-]1 ZINC000465030258 989353946 /nfs/dbraw/zinc/35/39/46/989353946.db2.gz SAPAQCOGAGVRRA-CYBMUJFWSA-N -1 3 401.492 3.512 20 0 HHADHM Cc1nc(C)c(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)s1 ZINC000465389049 989739553 /nfs/dbraw/zinc/73/95/53/989739553.db2.gz QBTACBBTEBBAOT-UHFFFAOYSA-N -1 3 405.476 3.952 20 0 HHADHM CC(C)(O)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000471566997 989767401 /nfs/dbraw/zinc/76/74/01/989767401.db2.gz OAKOFMPRSZDGHM-UHFFFAOYSA-N -1 3 417.314 3.894 20 0 HHADHM COc1ccc(C)nc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000471725528 989921926 /nfs/dbraw/zinc/92/19/26/989921926.db2.gz KUBHPIPPHRCCAO-UHFFFAOYSA-N -1 3 415.446 3.591 20 0 HHADHM O=C(Nc1cccc(Cn2nc3ccccn3c2=O)c1)c1cc([O-])c2ccccc2c1 ZINC000471757761 989950337 /nfs/dbraw/zinc/95/03/37/989950337.db2.gz SGOHOKAKUWGQJS-UHFFFAOYSA-N -1 3 410.433 3.655 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)CCCOc2ccc(C)c(C)c2)cc1OC ZINC000471784148 989973006 /nfs/dbraw/zinc/97/30/06/989973006.db2.gz ZJAZBNLUEDXMDJ-UHFFFAOYSA-N -1 3 420.531 3.871 20 0 HHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)c2cn(-c3ccccc3)nn2)c1Cl ZINC000471871520 990043602 /nfs/dbraw/zinc/04/36/02/990043602.db2.gz PVGBGBYGRNTPNE-LBPRGKRZSA-N -1 3 411.314 3.922 20 0 HHADHM C[C@@H]([N-]S(=O)(=O)c1ccccc1Br)c1noc(-c2ccccc2)n1 ZINC000471876428 990049212 /nfs/dbraw/zinc/04/92/12/990049212.db2.gz YEACDWHGNWANSU-LLVKDONJSA-N -1 3 408.277 3.539 20 0 HHADHM Cc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3cccc4cnccc43)n2)cc1F ZINC000471886501 990060145 /nfs/dbraw/zinc/06/01/45/990060145.db2.gz SQNMAXWCISBUOG-CYBMUJFWSA-N -1 3 412.446 3.772 20 0 HHADHM C[C@@H]([N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1)c1noc(-c2ccccc2)n1 ZINC000471894447 990066308 /nfs/dbraw/zinc/06/63/08/990066308.db2.gz YFESFBWRLOGBIY-LLVKDONJSA-N -1 3 413.377 3.675 20 0 HHADHM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3c(F)cccc3N3CCCC3)cc2F)c1 ZINC000466364801 991636547 /nfs/dbraw/zinc/63/65/47/991636547.db2.gz OLENPJSBJAXDDL-UHFFFAOYSA-N -1 3 418.469 3.860 20 0 HHADHM Cc1ncc(S(=O)(=O)[N-]Cc2nc3c(s2)C[C@H](c2ccccc2)CC3)s1 ZINC000466544306 991851906 /nfs/dbraw/zinc/85/19/06/991851906.db2.gz WPUAMLXARGHACO-CQSZACIVSA-N -1 3 405.570 3.659 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)N3[C@H](C)CC[C@@H]3C)c2)cc1 ZINC000466575510 991890303 /nfs/dbraw/zinc/89/03/03/991890303.db2.gz FXVMTPKKIGDSGA-IYBDPMFKSA-N -1 3 417.531 3.578 20 0 HHADHM CO[C@H](C[N-]S(=O)(=O)c1csc(-c2ccc(Br)cc2)n1)C(C)C ZINC000466889037 992209091 /nfs/dbraw/zinc/20/90/91/992209091.db2.gz RNGNHIKALXSUCP-CYBMUJFWSA-N -1 3 419.366 3.522 20 0 HHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N(C)Cc3cc(Cl)cn3C)nc(=O)c2c1C ZINC000466960329 992270672 /nfs/dbraw/zinc/27/06/72/992270672.db2.gz UZQPMWLPMCUWIX-NSHDSACASA-N -1 3 422.938 3.655 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(CN(C)C)c(Br)c2)cc1C ZINC000466963945 992274344 /nfs/dbraw/zinc/27/43/44/992274344.db2.gz MIBYSYBIIHAYAO-UHFFFAOYSA-N -1 3 413.337 3.629 20 0 HHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)CC[C@H]3CCCO3)c2)cc1 ZINC000467018026 992325707 /nfs/dbraw/zinc/32/57/07/992325707.db2.gz CHXOCBHAORBYEC-LJQANCHMSA-N -1 3 416.543 3.745 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2ccccc2CC(=O)OC(C)(C)C)c(C)c1C ZINC000467080003 992385933 /nfs/dbraw/zinc/38/59/33/992385933.db2.gz BUCLSSPRVMTMIO-UHFFFAOYSA-N -1 3 405.516 3.997 20 0 HHADHM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(OCC(=O)N(C)C)cc2)cc1 ZINC000467091891 992397130 /nfs/dbraw/zinc/39/71/30/992397130.db2.gz RKPPMVMVWYSRBG-UHFFFAOYSA-N -1 3 404.532 3.642 20 0 HHADHM COC(=O)CCOc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2C)cc1 ZINC000467763971 993007215 /nfs/dbraw/zinc/00/72/15/993007215.db2.gz XYGFMTGFNPZGBA-UHFFFAOYSA-N -1 3 417.405 3.757 20 0 HHADHM COc1ccccc1N1CCC([N-]S(=O)(=O)c2oc3ccc(F)cc3c2C)CC1 ZINC000472116947 993168769 /nfs/dbraw/zinc/16/87/69/993168769.db2.gz CQBNQNQBHHEFGK-UHFFFAOYSA-N -1 3 418.490 3.836 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@](C)(O)C(C)C)ccc2C)cc1 ZINC000472240191 993268129 /nfs/dbraw/zinc/26/81/29/993268129.db2.gz JPZJUMSSSJAEJT-OAQYLSRUSA-N -1 3 420.531 3.540 20 0 HHADHM COC(=O)c1sc2[n-]c(CN3CC[C@H](Cc4ccccc4)[C@H]3C)nc(=O)c2c1C ZINC000472346361 993350700 /nfs/dbraw/zinc/35/07/00/993350700.db2.gz GMKSYMLRIZFLKL-GDBMZVCRSA-N -1 3 411.527 3.533 20 0 HHADHM COCCC1(CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)CCC1 ZINC000472432897 993433920 /nfs/dbraw/zinc/43/39/20/993433920.db2.gz YKHLCGYZGNCHNL-UHFFFAOYSA-N -1 3 420.506 3.563 20 0 HHADHM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(CC(F)(F)F)cc1)c1ccc(C)c(C)c1 ZINC000480721274 993588578 /nfs/dbraw/zinc/58/85/78/993588578.db2.gz LRHQNGNUWFIASH-QGZVFWFLSA-N -1 3 415.433 3.601 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N1CC[C@H](C2CC2)C1 ZINC000480945831 993790396 /nfs/dbraw/zinc/79/03/96/993790396.db2.gz PGDRQICFKICFGE-INIZCTEOSA-N -1 3 402.491 3.807 20 0 HHADHM Cc1ccc(C)c(Sc2ccc(NC(=O)C(=O)NCc3ncccc3[O-])cc2)c1 ZINC000473061253 993981609 /nfs/dbraw/zinc/98/16/09/993981609.db2.gz ZSQSLZUGRJXQFT-UHFFFAOYSA-N -1 3 407.495 3.810 20 0 HHADHM COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000473075070 993993004 /nfs/dbraw/zinc/99/30/04/993993004.db2.gz FTGFDZHVOWJGJB-ZFWWWQNUSA-N -1 3 406.276 3.592 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCC3(C)CC3)ccc2C)cc1 ZINC000473284567 994133244 /nfs/dbraw/zinc/13/32/44/994133244.db2.gz ULIOBTRIXQAJTE-UHFFFAOYSA-N -1 3 402.516 3.724 20 0 HHADHM CO[C@]1(C)CCCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)ccc2C)C1 ZINC000473349838 994211775 /nfs/dbraw/zinc/21/17/75/994211775.db2.gz LSXULGHQQBTYGX-OAQYLSRUSA-N -1 3 420.506 3.576 20 0 HHADHM Cc1ccsc1-c1nc(=NC(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)s[n-]1 ZINC000481428399 994263517 /nfs/dbraw/zinc/26/35/17/994263517.db2.gz UKYHEQYEHRDYTK-HIFRSBDPSA-N -1 3 401.561 3.810 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3scnc3C)c2)cc1 ZINC000473430470 994281282 /nfs/dbraw/zinc/28/12/82/994281282.db2.gz XOKLTYOVVIHZBP-UHFFFAOYSA-N -1 3 417.512 3.822 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)C1(Cc2cccc(F)c2)CCOCC1 ZINC000481455070 994290910 /nfs/dbraw/zinc/29/09/10/994290910.db2.gz PXUIQSXMMCKQOV-UHFFFAOYSA-N -1 3 422.294 3.950 20 0 HHADHM O=S(=O)(Cc1cc(Cl)ccc1F)[N-][C@@H](CO)c1c(Cl)cccc1Cl ZINC000481470870 994305590 /nfs/dbraw/zinc/30/55/90/994305590.db2.gz DMOFMQFUGVESPU-AWEZNQCLSA-N -1 3 412.697 3.939 20 0 HHADHM O=S(=O)(Cc1cccc2cccnc21)[N-][C@@H](CO)c1c(Cl)cccc1Cl ZINC000481489706 994322741 /nfs/dbraw/zinc/32/27/41/994322741.db2.gz FQOVOGNIAILMMX-INIZCTEOSA-N -1 3 411.310 3.695 20 0 HHADHM CN(Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1)C[C@@H]1CCCC[C@H]1O ZINC000481538290 994369836 /nfs/dbraw/zinc/36/98/36/994369836.db2.gz DZLLHJHAWFWRJR-WMLDXEAASA-N -1 3 401.507 3.774 20 0 HHADHM O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)c1ccc(Br)c([O-])c1 ZINC000473529658 994387567 /nfs/dbraw/zinc/38/75/67/994387567.db2.gz NQUNPSONKTYQJK-UHFFFAOYSA-N -1 3 421.257 3.690 20 0 HHADHM CCOC(=O)Cc1nnc([N-]C(=O)c2sc(-c3ccccc3C)nc2C)s1 ZINC000481638547 994503689 /nfs/dbraw/zinc/50/36/89/994503689.db2.gz OKXXIOSWSWUTHG-UHFFFAOYSA-N -1 3 402.501 3.636 20 0 HHADHM O=C(CSc1ncnc2scc(-c3ccccc3)c21)NCc1ncccc1[O-] ZINC000473642295 994524771 /nfs/dbraw/zinc/52/47/71/994524771.db2.gz LEJKSTBQOQSTGR-UHFFFAOYSA-N -1 3 408.508 3.867 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2c(C)cc(N(C)C)cc2C)c(Br)c1 ZINC000481807390 994655433 /nfs/dbraw/zinc/65/54/33/994655433.db2.gz DBBGGMLLOYYEGB-UHFFFAOYSA-N -1 3 413.337 3.941 20 0 HHADHM COC(=O)c1cc(C)nc2nc(SCC[C@@H](C)OCc3ccccc3)[n-]c(=O)c12 ZINC000473795196 994719638 /nfs/dbraw/zinc/71/96/38/994719638.db2.gz PVKMOAOIBBOSMD-CQSZACIVSA-N -1 3 413.499 3.913 20 0 HHADHM Cc1ccsc1-c1nc(=NC(=O)N(CCN(C)C)Cc2ccccc2)s[n-]1 ZINC000473821860 994750178 /nfs/dbraw/zinc/75/01/78/994750178.db2.gz GOTFNJSCOYLXBO-UHFFFAOYSA-N -1 3 401.561 3.593 20 0 HHADHM Cc1ccsc1-c1nc(=NC(=O)N(CCN(C)C)Cc2cccc(F)c2)s[n-]1 ZINC000473828414 994759042 /nfs/dbraw/zinc/75/90/42/994759042.db2.gz JVFBMZYMFDZANR-UHFFFAOYSA-N -1 3 419.551 3.732 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]CCC2CCN(CC(F)(F)F)CC2)sc1Cl ZINC000473854742 994791869 /nfs/dbraw/zinc/79/18/69/994791869.db2.gz KKEIWYCQDPCXEV-UHFFFAOYSA-N -1 3 404.907 3.653 20 0 HHADHM O=C(CCCOc1cccc(Cl)c1Cl)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000473896346 994852621 /nfs/dbraw/zinc/85/26/21/994852621.db2.gz ONZKAEMDDCSUQJ-UHFFFAOYSA-N -1 3 406.273 3.895 20 0 HHADHM O=C(CCCOc1cccc(Cl)c1Cl)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000473896346 994852626 /nfs/dbraw/zinc/85/26/26/994852626.db2.gz ONZKAEMDDCSUQJ-UHFFFAOYSA-N -1 3 406.273 3.895 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(NC(=O)c3ccncc3)cc2)sc1Cl ZINC000473916875 994884081 /nfs/dbraw/zinc/88/40/81/994884081.db2.gz AZPSMJFCWSNILL-UHFFFAOYSA-N -1 3 421.931 3.836 20 0 HHADHM Cc1cc(S(=O)(=O)[N-][C@@H](c2nc(-c3ccncc3)no2)C(C)C)sc1Cl ZINC000473917952 994886247 /nfs/dbraw/zinc/88/62/47/994886247.db2.gz ZVPXANLRWMTLID-CYBMUJFWSA-N -1 3 412.924 3.831 20 0 HHADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H](C)[C@@H](C)c2ccccc2)cc1 ZINC000474197934 995192527 /nfs/dbraw/zinc/19/25/27/995192527.db2.gz MKOGPTITVGQIOI-SJORKVTESA-N -1 3 424.588 3.699 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1ccc(Br)cc1C(F)(F)F ZINC000482213187 995197412 /nfs/dbraw/zinc/19/74/12/995197412.db2.gz OKZXXXSYUBFLSL-UHFFFAOYSA-N -1 3 417.107 3.535 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)[C@H]1CCCO[C@H]1c1ccc(Cl)cc1Cl ZINC000482241067 995223139 /nfs/dbraw/zinc/22/31/39/995223139.db2.gz HSSJPUJRJMTBPH-GWCFXTLKSA-N -1 3 423.222 3.914 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)[C@@H]1CCCO[C@@H]1c1ccc(Cl)cc1Cl ZINC000482241078 995223438 /nfs/dbraw/zinc/22/34/38/995223438.db2.gz HSSJPUJRJMTBPH-ZWNOBZJWSA-N -1 3 423.222 3.914 20 0 HHADHM O=C(NCCCOCCc1ccccc1)NCc1ccc([O-])c(Br)c1 ZINC000482295217 995275192 /nfs/dbraw/zinc/27/51/92/995275192.db2.gz KSSUTJYWPCZLOS-UHFFFAOYSA-N -1 3 407.308 3.603 20 0 HHADHM C[C@@H](CNC(=O)NCc1ccc([O-])c(Br)c1)COCc1ccccc1 ZINC000482315784 995294308 /nfs/dbraw/zinc/29/43/08/995294308.db2.gz VUZQQQYRHCGENH-AWEZNQCLSA-N -1 3 407.308 3.807 20 0 HHADHM O=S(=O)([N-]C[C@@H]1CCO[C@H]1c1ccccc1)c1ccc(F)cc1C(F)(F)F ZINC000482316823 995294743 /nfs/dbraw/zinc/29/47/43/995294743.db2.gz KNWMUAMPDXUVSL-GUYCJALGSA-N -1 3 403.397 3.901 20 0 HHADHM CCN(CC)C(=O)c1ccc(NC(=O)c2c(C)[n-]c(=O)nc2SC)cc1Cl ZINC000474341270 995321173 /nfs/dbraw/zinc/32/11/73/995321173.db2.gz IPPVSHIIAUDNES-UHFFFAOYSA-N -1 3 408.911 3.600 20 0 HHADHM CC1(C)CCC[C@H](NC(=O)c2c[n-]c3ccc(I)cc3c2=O)C1 ZINC000474476559 995436255 /nfs/dbraw/zinc/43/62/55/995436255.db2.gz ZUTVABKZLIBXFV-LBPRGKRZSA-N -1 3 424.282 3.831 20 0 HHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000474647580 995592854 /nfs/dbraw/zinc/59/28/54/995592854.db2.gz MMTWSZFIBSOCIP-UHFFFAOYSA-N -1 3 420.517 3.593 20 0 HHADHM C[C@@H]1CCC[C@H](NC(=O)c2c[n-]c3ccc(I)cc3c2=O)CC1 ZINC000474659689 995605559 /nfs/dbraw/zinc/60/55/59/995605559.db2.gz QGNFPVHBVCXNDD-YPMHNXCESA-N -1 3 424.282 3.831 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)NC[C@H]1CCO[C@H]1c1ccccc1 ZINC000482619007 995615178 /nfs/dbraw/zinc/61/51/78/995615178.db2.gz TZPGFEBKJZNBCT-QAPCUYQASA-N -1 3 405.292 3.732 20 0 HHADHM C[C@@H]1CCC[C@H](CNC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)[C@@H]1C ZINC000482709428 995697963 /nfs/dbraw/zinc/69/79/63/995697963.db2.gz BVLHKRKKWLUUCR-RBSFLKMASA-N -1 3 407.511 3.757 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)NCc1ccc(COCc2ccccc2)cc1 ZINC000482737092 995716058 /nfs/dbraw/zinc/71/60/58/995716058.db2.gz WZVIETYTLGNWGP-UHFFFAOYSA-N -1 3 419.407 3.540 20 0 HHADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000474891762 995782786 /nfs/dbraw/zinc/78/27/86/995782786.db2.gz OFKWWAILJWGSLU-SFHVURJKSA-N -1 3 402.372 3.761 20 0 HHADHM COCCOc1ccc(NC(=O)NCc2ccc([O-])c(Br)c2)cc1F ZINC000482925318 995854777 /nfs/dbraw/zinc/85/47/77/995854777.db2.gz GLIBQWVSDWJXJV-UHFFFAOYSA-N -1 3 413.243 3.641 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N[C@H](Cc1ccccc1)c1ccccc1F ZINC000483092912 995968409 /nfs/dbraw/zinc/96/84/09/995968409.db2.gz ANZRANDGDJRYIY-OAHLLOKOSA-N -1 3 407.371 3.746 20 0 HHADHM COc1cc(C(=O)N[C@@H](C)c2cccc(OCc3ccccn3)c2)cc(OC)c1[O-] ZINC000483129296 995992556 /nfs/dbraw/zinc/99/25/56/995992556.db2.gz JNCBYGZKQUNURT-HNNXBMFYSA-N -1 3 408.454 3.874 20 0 HHADHM COc1c(Br)cc(Br)cc1CNCc1ncccc1[O-] ZINC000475342392 996079186 /nfs/dbraw/zinc/07/91/86/996079186.db2.gz LTPLEZROJXFPLV-UHFFFAOYSA-N -1 3 402.086 3.611 20 0 HHADHM COCCCOc1cccc(NC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000483305800 996089573 /nfs/dbraw/zinc/08/95/73/996089573.db2.gz MGTVMLZLIIRHOC-UHFFFAOYSA-N -1 3 409.280 3.892 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)Nc1cc(-c2ccccc2)ns1 ZINC000475482975 996169056 /nfs/dbraw/zinc/16/90/56/996169056.db2.gz YWAOYAQYLCLYIM-UHFFFAOYSA-N -1 3 417.494 3.835 20 0 HHADHM O=C(Nc1ccccc1)[C@H]([N-]S(=O)(=O)c1ccc2ncsc2c1)c1ccccc1 ZINC000475538298 996208888 /nfs/dbraw/zinc/20/88/88/996208888.db2.gz MOMVWHYHQFFIAN-HXUWFJFHSA-N -1 3 423.519 3.955 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N(Cc1cc(F)ccc1F)C1CCCC1 ZINC000483569400 996257236 /nfs/dbraw/zinc/25/72/36/996257236.db2.gz PRKMSHGIZGVDNG-UHFFFAOYSA-N -1 3 403.355 3.756 20 0 HHADHM CCCN(Cc1ccccc1Br)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483572949 996259283 /nfs/dbraw/zinc/25/92/83/996259283.db2.gz KZPHRAVVWUQSEC-UHFFFAOYSA-N -1 3 420.233 3.708 20 0 HHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CCc1nnc(-c2ccccc2)o1 ZINC000475760407 996353843 /nfs/dbraw/zinc/35/38/43/996353843.db2.gz ODCNLZZRCNSMQJ-UHFFFAOYSA-N -1 3 417.874 3.966 20 0 HHADHM O=S(=O)([N-][C@@H](c1ccccc1)[C@H]1CCCO1)c1ccc(Br)cc1F ZINC000475760346 996353994 /nfs/dbraw/zinc/35/39/94/996353994.db2.gz PTDGOZNPVIOKGZ-WBVHZDCISA-N -1 3 414.296 3.787 20 0 HHADHM COc1ccc(OCCS(=O)(=O)[N-]c2cc(F)cc(NCC(F)(F)F)c2)cc1 ZINC000475804573 996381946 /nfs/dbraw/zinc/38/19/46/996381946.db2.gz DKKVYDFQLNJTRP-UHFFFAOYSA-N -1 3 422.400 3.629 20 0 HHADHM Cc1c(C(=O)[N-]c2nnc(-c3ccsc3)s2)nnn1Cc1ccc(F)cc1F ZINC000483827398 996412743 /nfs/dbraw/zinc/41/27/43/996412743.db2.gz ZWTLWXCACYLDAJ-UHFFFAOYSA-N -1 3 418.454 3.745 20 0 HHADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)Nc1cccc(Oc2ccncc2)c1 ZINC000484089191 996563430 /nfs/dbraw/zinc/56/34/30/996563430.db2.gz OUGRNEHVUBUKEC-UHFFFAOYSA-N -1 3 423.903 3.506 20 0 HHADHM CCN1CCN(c2ccc([N-]S(=O)(=O)c3cc(F)c(C)cc3F)c(C)c2)CC1 ZINC000476095327 996591461 /nfs/dbraw/zinc/59/14/61/996591461.db2.gz LVQMLFRWGPEWNM-UHFFFAOYSA-N -1 3 409.502 3.524 20 0 HHADHM CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000476133489 996623553 /nfs/dbraw/zinc/62/35/53/996623553.db2.gz DESHJIFZHPMJKX-KRWDZBQOSA-N -1 3 423.366 3.717 20 0 HHADHM C[C@@H](CC(=O)Nc1ccc([O-])c(C(F)(F)F)c1)S(=O)(=O)c1ccc(F)cc1 ZINC000476165383 996647730 /nfs/dbraw/zinc/64/77/30/996647730.db2.gz OQIKMPZWMXCSJR-JTQLQIEISA-N -1 3 405.369 3.741 20 0 HHADHM CSCC[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000476167019 996648834 /nfs/dbraw/zinc/64/88/34/996648834.db2.gz RHANVEASJKRTRN-OAHLLOKOSA-N -1 3 412.433 3.901 20 0 HHADHM CC(=O)N[C@H](CC(=O)Nc1ccc([O-])c(C(F)(F)F)c1)c1c(F)cccc1F ZINC000476183226 996662561 /nfs/dbraw/zinc/66/25/61/996662561.db2.gz WJBBXIJBGYNBCD-CQSZACIVSA-N -1 3 402.319 3.895 20 0 HHADHM COc1cccc(Cl)c1-c1noc(C)c1C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000476330748 996761130 /nfs/dbraw/zinc/76/11/30/996761130.db2.gz HHJCBBLIZAQIDC-UHFFFAOYSA-N -1 3 424.848 3.668 20 0 HHADHM COc1cccc(Cl)c1-c1noc(C)c1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000476330748 996761146 /nfs/dbraw/zinc/76/11/46/996761146.db2.gz HHJCBBLIZAQIDC-UHFFFAOYSA-N -1 3 424.848 3.668 20 0 HHADHM CCc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000476339132 996764711 /nfs/dbraw/zinc/76/47/11/996764711.db2.gz XCXONPGBVRJPSI-UHFFFAOYSA-N -1 3 408.849 3.914 20 0 HHADHM CCc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000476339132 996764718 /nfs/dbraw/zinc/76/47/18/996764718.db2.gz XCXONPGBVRJPSI-UHFFFAOYSA-N -1 3 408.849 3.914 20 0 HHADHM CCCOc1cc(C)ccc1NC(=O)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000484531117 996862942 /nfs/dbraw/zinc/86/29/42/996862942.db2.gz UDACRAMYMIVXTK-UHFFFAOYSA-N -1 3 421.291 3.507 20 0 HHADHM CN(C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)[C@@H](c1ccncc1)c1ccc(Cl)cc1 ZINC000484613022 996945183 /nfs/dbraw/zinc/94/51/83/996945183.db2.gz HOBSAKYICBVNOP-LJQANCHMSA-N -1 3 420.856 3.872 20 0 HHADHM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCCC[C@@H]3O)cc2)cc1C ZINC000484612837 996945521 /nfs/dbraw/zinc/94/55/21/996945521.db2.gz FMQGNTXPOVVKDN-VQTJNVASSA-N -1 3 405.516 3.795 20 0 HHADHM Cn1cc([C@H]2CSCCN2Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)cn1 ZINC000484644241 996979352 /nfs/dbraw/zinc/97/93/52/996979352.db2.gz LTYWHRVUUBOCHP-CQSZACIVSA-N -1 3 413.528 3.681 20 0 HHADHM CCCN(CCC)C(=O)c1cccc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)c1 ZINC000484750418 997093298 /nfs/dbraw/zinc/09/32/98/997093298.db2.gz BKNQATLZPLZGTR-UHFFFAOYSA-N -1 3 417.531 3.573 20 0 HHADHM COC(=O)CSCc1cccc([N-]S(=O)(=O)c2cc(C)c(OC)cc2C)c1 ZINC000485045380 997409991 /nfs/dbraw/zinc/40/99/91/997409991.db2.gz ZWCWJYKEVAFCNR-UHFFFAOYSA-N -1 3 409.529 3.519 20 0 HHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000485092857 997467977 /nfs/dbraw/zinc/46/79/77/997467977.db2.gz IPWGTYDDTWRQGF-CABCVRRESA-N -1 3 402.410 3.731 20 0 HHADHM Cc1ccc(CN2C(=O)CC[C@H]2C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)cc1 ZINC000485099542 997475285 /nfs/dbraw/zinc/47/52/85/997475285.db2.gz BAUKXMBMJURTHM-KRWDZBQOSA-N -1 3 415.453 3.656 20 0 HHADHM CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485111640 997492482 /nfs/dbraw/zinc/49/24/82/997492482.db2.gz CAWTYARYHYCBBY-SFHVURJKSA-N -1 3 421.432 3.750 20 0 HHADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1ccn(-c2c(F)cccc2F)n1 ZINC000485122443 997505941 /nfs/dbraw/zinc/50/59/41/997505941.db2.gz RMDQJWLLFHMEHY-UHFFFAOYSA-N -1 3 406.352 3.934 20 0 HHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1ccn(-c2c(F)cccc2F)n1 ZINC000485122443 997505944 /nfs/dbraw/zinc/50/59/44/997505944.db2.gz RMDQJWLLFHMEHY-UHFFFAOYSA-N -1 3 406.352 3.934 20 0 HHADHM COCc1c(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)cnn1-c1ccccc1 ZINC000485125706 997510344 /nfs/dbraw/zinc/51/03/44/997510344.db2.gz UBRBEGVQUKXYEK-UHFFFAOYSA-N -1 3 414.425 3.802 20 0 HHADHM COCc1c(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)cnn1-c1ccccc1 ZINC000485125706 997510354 /nfs/dbraw/zinc/51/03/54/997510354.db2.gz UBRBEGVQUKXYEK-UHFFFAOYSA-N -1 3 414.425 3.802 20 0 HHADHM CCc1csc(-n2cc(C(=O)Nc3nnc(-c4cc5ccccc5o4)[n-]3)cn2)n1 ZINC000485131955 997517015 /nfs/dbraw/zinc/51/70/15/997517015.db2.gz KDTUEGSKUSJJQG-UHFFFAOYSA-N -1 3 405.443 3.675 20 0 HHADHM CCc1csc(-n2cc(C(=O)Nc3n[n-]c(-c4cc5ccccc5o4)n3)cn2)n1 ZINC000485131955 997517026 /nfs/dbraw/zinc/51/70/26/997517026.db2.gz KDTUEGSKUSJJQG-UHFFFAOYSA-N -1 3 405.443 3.675 20 0 HHADHM COC(=O)c1c(F)ccc([N-]C(=O)c2nc(C(C)C)n(-c3cccc(F)c3)n2)c1F ZINC000485155371 997539005 /nfs/dbraw/zinc/53/90/05/997539005.db2.gz XCDMORDANYRQHM-UHFFFAOYSA-N -1 3 418.375 3.847 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)[C@@H]3CCCC3(C)C)c2)cc1 ZINC000477018793 997651630 /nfs/dbraw/zinc/65/16/30/997651630.db2.gz KNZPPYDEFJNYQN-FQEVSTJZSA-N -1 3 416.543 3.939 20 0 HHADHM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)CCC(=O)N2CC1CC1 ZINC000485392182 997820128 /nfs/dbraw/zinc/82/01/28/997820128.db2.gz XLBRPUSVWZRPGJ-UHFFFAOYSA-N -1 3 402.491 3.933 20 0 HHADHM COc1cc(F)c([N-]S(=O)(=O)c2ccc(NC(C)=O)c3ccccc32)cc1F ZINC000477164634 997828129 /nfs/dbraw/zinc/82/81/29/997828129.db2.gz PXMPQFKIQCDVBA-UHFFFAOYSA-N -1 3 406.410 3.886 20 0 HHADHM Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1cc(C[S@@](C)=O)ccc1Cl ZINC000477165989 997830278 /nfs/dbraw/zinc/83/02/78/997830278.db2.gz SIQNYNQFQLNORD-RUZDIDTESA-N -1 3 408.932 3.876 20 0 HHADHM Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1cc(C[S@](C)=O)ccc1Cl ZINC000477166055 997830597 /nfs/dbraw/zinc/83/05/97/997830597.db2.gz SIQNYNQFQLNORD-VWLOTQADSA-N -1 3 408.932 3.876 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C[C@@H](O)CC(C)(C)C)cc2)cc1 ZINC000485423573 997859750 /nfs/dbraw/zinc/85/97/50/997859750.db2.gz TVLIEHHVIDHZLV-GOSISDBHSA-N -1 3 404.532 3.922 20 0 HHADHM COC(=O)C[C@](C)([N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C)c1ccccn1 ZINC000485431191 997869051 /nfs/dbraw/zinc/86/90/51/997869051.db2.gz AGONYWDXIGVBAI-IBGZPJMESA-N -1 3 422.890 3.546 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)C[C@H]3C[C@H]3C)c2)cc1 ZINC000485433995 997872885 /nfs/dbraw/zinc/87/28/85/997872885.db2.gz HBPBVJHCJWVMMA-HUUCEWRRSA-N -1 3 418.515 3.879 20 0 HHADHM O=C(NCc1cc(-c2ccccc2)on1)NCc1ccc([O-])c(Br)c1 ZINC000485499732 997954387 /nfs/dbraw/zinc/95/43/87/997954387.db2.gz AMEHDRVMHKYDDS-UHFFFAOYSA-N -1 3 402.248 3.809 20 0 HHADHM CCc1cc(=O)[n-]c(CSCc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)n1 ZINC000477354677 998042832 /nfs/dbraw/zinc/04/28/32/998042832.db2.gz VDMHDEDSINAFCD-UHFFFAOYSA-N -1 3 421.569 3.705 20 0 HHADHM CC(C)[C@H](NC(=O)NCc1ccc([O-])c(Br)c1)c1nc(C2CC2)no1 ZINC000485617786 998065011 /nfs/dbraw/zinc/06/50/11/998065011.db2.gz WFLFKTJOOYOMGT-AWEZNQCLSA-N -1 3 409.284 3.612 20 0 HHADHM CC[C@H](NC(=O)CCc1c(C)nc(C)[n-]c1=O)c1cc(F)cc(Br)c1 ZINC000485663043 998115348 /nfs/dbraw/zinc/11/53/48/998115348.db2.gz ACVBBYZNGHQDQN-INIZCTEOSA-N -1 3 410.287 3.901 20 0 HHADHM CCCCc1nc(NC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)c(C(=O)OCC)[n-]1 ZINC000485674126 998131338 /nfs/dbraw/zinc/13/13/38/998131338.db2.gz PHEBUTQXQGFQGZ-NSHDSACASA-N -1 3 416.503 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ZINC000477636981 998353901 /nfs/dbraw/zinc/35/39/01/998353901.db2.gz OKEJHKMSDLZDLH-ZDUSSCGKSA-N -1 3 401.488 3.963 20 0 HHADHM CC(C)c1nnc(C[N-]S(=O)(=O)Cc2ccc(Cl)cc2Br)s1 ZINC000485912465 998363492 /nfs/dbraw/zinc/36/34/92/998363492.db2.gz IYJYBGQYAWCXCY-UHFFFAOYSA-N -1 3 424.773 3.697 20 0 HHADHM O=c1cc(C=Cc2cn(-c3cccc(Cl)c3Cl)nn2)nc(-c2ccncc2)[n-]1 ZINC000486054760 998504289 /nfs/dbraw/zinc/50/42/89/998504289.db2.gz XDNOBLXKOFNKSL-SNAWJCMRSA-N -1 3 411.252 3.890 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CC(C)(C)OC)ccc2C)cc1 ZINC000486346952 998722725 /nfs/dbraw/zinc/72/27/25/998722725.db2.gz SUQFGEDAOZJMMF-UHFFFAOYSA-N -1 3 406.504 3.558 20 0 HHADHM CCc1c(C(=O)[N-]c2nnc(/C=C/c3ccco3)s2)nnn1Cc1ccc(F)cc1 ZINC000486455100 998777620 /nfs/dbraw/zinc/77/76/20/998777620.db2.gz AZYXWLYJCCWRCH-MDZDMXLPSA-N -1 3 424.461 3.895 20 0 HHADHM CN(C(=O)c1c[n-]c2ccc(I)cc2c1=O)[C@@H]1CCC(C)(C)C1 ZINC000478218767 998829445 /nfs/dbraw/zinc/82/94/45/998829445.db2.gz SLBCYEUWLBQBDF-GFCCVEGCSA-N -1 3 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0 HHADHM CCOc1ccc(-c2noc(CS(=O)(=O)c3nc(-c4ccccc4)c(C)[n-]3)n2)cc1 ZINC000490435362 999957384 /nfs/dbraw/zinc/95/73/84/999957384.db2.gz JHXIBHAXKWNJDW-UHFFFAOYSA-N -1 3 424.482 3.808 20 0 HHADHM Cc1nc(S(=O)(=O)CC(=O)Nc2cccc(C(F)(F)F)c2)[n-]c1-c1ccccc1 ZINC000490454518 999960072 /nfs/dbraw/zinc/96/00/72/999960072.db2.gz NIUVCMRIKBEJTI-UHFFFAOYSA-N -1 3 423.416 3.816 20 0 HHADHM Cc1[n-]c(S(=O)(=O)CC(=O)Nc2cccc(C(F)(F)F)c2)nc1-c1ccccc1 ZINC000490454518 999960073 /nfs/dbraw/zinc/96/00/73/999960073.db2.gz NIUVCMRIKBEJTI-UHFFFAOYSA-N -1 3 423.416 3.816 20 0 HHADHM Cc1nc(S(=O)(=O)CC(=O)Nc2ccc(C)c(Cl)c2)[n-]c1-c1ccccc1 ZINC000490456486 999960503 /nfs/dbraw/zinc/96/05/03/999960503.db2.gz UUCCRADTMNXYNS-UHFFFAOYSA-N -1 3 403.891 3.759 20 0 HHADHM Cc1[n-]c(S(=O)(=O)CC(=O)Nc2ccc(C)c(Cl)c2)nc1-c1ccccc1 ZINC000490456486 999960505 /nfs/dbraw/zinc/96/05/05/999960505.db2.gz UUCCRADTMNXYNS-UHFFFAOYSA-N -1 3 403.891 3.759 20 0 HHADHM O=C(Nc1n[n-]c(SCCO)n1)[C@H](Sc1ccc(F)cc1F)c1ccccc1 ZINC000490540351 999974615 /nfs/dbraw/zinc/97/46/15/999974615.db2.gz HNYQPPFFMDAOCV-OAHLLOKOSA-N -1 3 422.482 3.639 20 0 HHADHM O=C([N-]c1n[nH]c(-c2cccc(C(F)(F)F)c2)n1)c1csc(-c2cnccn2)n1 ZINC000490582229 999980094 /nfs/dbraw/zinc/98/00/94/999980094.db2.gz FMAXUKQNGZCTOU-UHFFFAOYSA-N -1 3 417.376 3.656 20 0 HHADHM Cc1csc(C[N-]S(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCCCO2)n1 ZINC000491334405 1000066282 /nfs/dbraw/zinc/06/62/82/1000066282.db2.gz OEZCYHFJGRNYIZ-CQSZACIVSA-N -1 3 416.952 3.531 20 0 HHADHM CCOC(=O)CSc1nnc([N-]C(=O)c2sc3nccc(C)c3c2C)s1 ZINC000491467739 1000077231 /nfs/dbraw/zinc/07/72/31/1000077231.db2.gz JQHPVPAIIRTIIK-UHFFFAOYSA-N -1 3 408.530 3.672 20 0 HHADHM CCc1ccccc1S(=O)(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000491580964 1000085578 /nfs/dbraw/zinc/08/55/78/1000085578.db2.gz HMAYTWDYPMKRJJ-UHFFFAOYSA-N -1 3 422.934 3.647 20 0 HHADHM NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc(Cl)c2Br)c1 ZINC000491722428 1000093621 /nfs/dbraw/zinc/09/36/21/1000093621.db2.gz XXNBNYITYLYJAE-UHFFFAOYSA-N -1 3 424.103 3.656 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@H]3CC3(C)C)c2)cc1 ZINC000492483778 1000128785 /nfs/dbraw/zinc/12/87/85/1000128785.db2.gz PXGSWHZCXDVKBW-IBGZPJMESA-N -1 3 402.516 3.723 20 0 HHADHM CC(=O)c1ccc(C(=O)[N-]c2ncn(Cc3cccc(Br)c3)n2)s1 ZINC000492955998 1000151133 /nfs/dbraw/zinc/15/11/33/1000151133.db2.gz UAOLHGXLBKKMQW-UHFFFAOYSA-N -1 3 405.277 3.605 20 0 HHADHM O=S(=O)([N-]C[C@@H]1CCOc2ccccc21)c1cccc(Cl)c1Br ZINC000493210857 1000163200 /nfs/dbraw/zinc/16/32/00/1000163200.db2.gz NNHOTCSTSQQBBV-NSHDSACASA-N -1 3 416.724 3.947 20 0 HHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2nnc(C3CC3)n2C2CC2)c1Cl ZINC000493531397 1000177815 /nfs/dbraw/zinc/17/78/15/1000177815.db2.gz UCIAFJLOSLGIEH-UHFFFAOYSA-N -1 3 401.319 3.584 20 0 HHADHM CCSc1cccc(CNC(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)c1 ZINC000493887188 1000202255 /nfs/dbraw/zinc/20/22/55/1000202255.db2.gz BSCYSXPQXWAQOY-UHFFFAOYSA-N -1 3 423.560 3.891 20 0 HHADHM C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)[C@@H]1COc2ccccc21 ZINC000493892240 1000203184 /nfs/dbraw/zinc/20/31/84/1000203184.db2.gz UGIHCLNDNAPTRL-JQWIXIFHSA-N -1 3 416.724 3.946 20 0 HHADHM C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)[C@H]1COc2ccccc21 ZINC000493892242 1000203343 /nfs/dbraw/zinc/20/33/43/1000203343.db2.gz UGIHCLNDNAPTRL-ZYHUDNBSSA-N -1 3 416.724 3.946 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3occ4c3CCOC4)cc2)cc1 ZINC000504529972 1000253569 /nfs/dbraw/zinc/25/35/69/1000253569.db2.gz MPCCQPHMSFHYOB-UHFFFAOYSA-N -1 3 412.467 3.714 20 0 HHADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N1CCCCC[C@H]1c1ccccc1 ZINC000504587000 1000281842 /nfs/dbraw/zinc/28/18/42/1000281842.db2.gz XSZJCXGLSKMQHF-HNNXBMFYSA-N -1 3 412.964 3.824 20 0 HHADHM O=S(=O)([N-]c1ccccc1F)c1ccc(-c2nc(C3CCOCC3)no2)cc1 ZINC000504660918 1000313705 /nfs/dbraw/zinc/31/37/05/1000313705.db2.gz NBHZHQCAPVROJU-UHFFFAOYSA-N -1 3 403.435 3.571 20 0 HHADHM COc1cccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)c1O ZINC000494127045 1000319807 /nfs/dbraw/zinc/31/98/07/1000319807.db2.gz LGDBGGTZEPBXBH-UHFFFAOYSA-N -1 3 416.430 3.593 20 0 HHADHM CC(C)(C)C1CC(NC(=O)c2c[n-]c3ccc(I)cc3c2=O)C1 ZINC000504879144 1000422866 /nfs/dbraw/zinc/42/28/66/1000422866.db2.gz MLDZWQAVBSEPKC-UHFFFAOYSA-N -1 3 424.282 3.687 20 0 HHADHM COC(=O)CCSCc1cccc([N-]S(=O)(=O)c2cc(C)c(OC)c(C)c2)c1 ZINC000504979059 1000484682 /nfs/dbraw/zinc/48/46/82/1000484682.db2.gz LFVKEWLPODPZAV-UHFFFAOYSA-N -1 3 423.556 3.909 20 0 HHADHM COC(=O)c1cccc(S(=O)(=O)[N-]c2cccc3c2CN(CCC(C)C)C3)c1 ZINC000494500260 1000526719 /nfs/dbraw/zinc/52/67/19/1000526719.db2.gz CWRHVGXJROELGZ-UHFFFAOYSA-N -1 3 402.516 3.636 20 0 HHADHM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3ccc(-n4cnnn4)cc3)ccc21 ZINC000494552622 1000552146 /nfs/dbraw/zinc/55/21/46/1000552146.db2.gz LMCQMTCRASGYRK-UHFFFAOYSA-N -1 3 418.482 3.591 20 0 HHADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)Nc1ccc(OC2CCCC2)cc1 ZINC000505134029 1000568734 /nfs/dbraw/zinc/56/87/34/1000568734.db2.gz HYJRVNJJBAOKBV-UHFFFAOYSA-N -1 3 414.936 3.640 20 0 HHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000494604651 1000571413 /nfs/dbraw/zinc/57/14/13/1000571413.db2.gz YKYIQENQCHIFQO-KGLIPLIRSA-N -1 3 409.305 3.563 20 0 HHADHM COCC[C@@H](C)NC(=O)c1ccc(C)c([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000505162865 1000588740 /nfs/dbraw/zinc/58/87/40/1000588740.db2.gz UTOPWUQIGZCQPS-GOSISDBHSA-N -1 3 418.559 3.876 20 0 HHADHM O=C(N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)c1cc(F)cc2n[n-]nc21 ZINC000505185205 1000604091 /nfs/dbraw/zinc/60/40/91/1000604091.db2.gz OZZJCHBLOXVDAF-HOMQSWHASA-N -1 3 407.218 3.675 20 0 HHADHM O=C1CCCc2cc(S(=O)(=O)[N-]c3ccc(Oc4ccccn4)cc3)ccc2N1 ZINC000505313496 1000694585 /nfs/dbraw/zinc/69/45/85/1000694585.db2.gz UWZIUBMNQFHXIA-UHFFFAOYSA-N -1 3 409.467 3.950 20 0 HHADHM CC(C)(C)CN(Cc1ccccc1)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000505421768 1000762140 /nfs/dbraw/zinc/76/21/40/1000762140.db2.gz OGJDYGZWQGCUEG-UHFFFAOYSA-N -1 3 414.980 3.755 20 0 HHADHM Cc1c(C(=O)[N-]c2nnc(C(F)F)s2)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC000495099984 1000841143 /nfs/dbraw/zinc/84/11/43/1000841143.db2.gz SMLQUERHMSGBCP-UHFFFAOYSA-N -1 3 418.351 3.695 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)NCCc3cc(F)cc4c3OCOC4)cc2)cc(=O)[n-]1 ZINC000505600246 1000928476 /nfs/dbraw/zinc/92/84/76/1000928476.db2.gz UMMHOMORWVPMSL-UHFFFAOYSA-N -1 3 424.432 3.527 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3csc(C)n3)c2)cc1 ZINC000495461908 1001020834 /nfs/dbraw/zinc/02/08/34/1001020834.db2.gz BAXBGCVIMYZTNN-UHFFFAOYSA-N -1 3 417.512 3.822 20 0 HHADHM Cc1nc(C)c(CCC(=O)Nc2ccc(C(=O)N(C)C3CCCCC3)cc2)c(=O)[n-]1 ZINC000497456681 1001375953 /nfs/dbraw/zinc/37/59/53/1001375953.db2.gz BLHHZHSMMHZKET-UHFFFAOYSA-N -1 3 410.518 3.775 20 0 HHADHM COC(=O)[C@H](CS(=O)(=O)[N-]c1cccc(-c2csc(C)n2)c1)c1ccccc1 ZINC000506576921 1001463112 /nfs/dbraw/zinc/46/31/12/1001463112.db2.gz GSIYTGWTBYLWDC-GOSISDBHSA-N -1 3 416.524 3.817 20 0 HHADHM CS(=O)(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2csc3ccccc32)c1 ZINC000506706493 1001499945 /nfs/dbraw/zinc/49/99/45/1001499945.db2.gz HAVWUIWBYRICKH-UHFFFAOYSA-N -1 3 416.933 3.727 20 0 HHADHM O=C(NCc1ccc([O-])c(F)c1)N[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000497793099 1001515598 /nfs/dbraw/zinc/51/55/98/1001515598.db2.gz SDGZAWDEKGDNIX-LJQANCHMSA-N -1 3 412.383 3.751 20 0 HHADHM CN(C)CC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)cc1 ZINC000506834928 1001557115 /nfs/dbraw/zinc/55/71/15/1001557115.db2.gz NUWGYWGSKORYNS-UHFFFAOYSA-N -1 3 409.511 3.655 20 0 HHADHM CCOC(=O)c1sc([C@H](C)[N-]S(=O)(=O)c2cc(C)ccc2Cl)nc1C ZINC000497935380 1001570632 /nfs/dbraw/zinc/57/06/32/1001570632.db2.gz BDDJJXLKDHEJNZ-NSHDSACASA-N -1 3 402.925 3.630 20 0 HHADHM CN1C(=O)C[C@H](NCc2nc3c4ccccc4oc3c(=O)[n-]2)[C@@H]1c1ccc(Cl)cc1 ZINC000506931996 1001600447 /nfs/dbraw/zinc/60/04/47/1001600447.db2.gz ZVPNXUQXNQSEIA-YWZLYKJASA-N -1 3 422.872 3.797 20 0 HHADHM CCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(C)C)c2)cc1F ZINC000498007955 1001601902 /nfs/dbraw/zinc/60/19/02/1001601902.db2.gz DJLZVIKNBHZQLG-UHFFFAOYSA-N -1 3 400.497 3.512 20 0 HHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H](Cc3ccc(Br)cc3)C2)c1 ZINC000498024996 1001610902 /nfs/dbraw/zinc/61/09/02/1001610902.db2.gz GTCVEACOKHWENN-HNNXBMFYSA-N -1 3 417.303 3.818 20 0 HHADHM O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)Nc1cccc(C2CC2)n1 ZINC000498089352 1001637155 /nfs/dbraw/zinc/63/71/55/1001637155.db2.gz QQLPDKRSVZYPPX-UHFFFAOYSA-N -1 3 414.314 3.573 20 0 HHADHM CS(=O)(=O)c1ccc(C(=O)[N-]c2nc(C3CC3)c(Cc3ccc(F)cc3)s2)o1 ZINC000498091519 1001637964 /nfs/dbraw/zinc/63/79/64/1001637964.db2.gz OZHXPIGZPFGLKB-UHFFFAOYSA-N -1 3 420.487 3.999 20 0 HHADHM CC[C@@H](C)Sc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(N)=O)c2)c(C)c1 ZINC000498403768 1001830785 /nfs/dbraw/zinc/83/07/85/1001830785.db2.gz WUQHXLRKHLFZRU-CYBMUJFWSA-N -1 3 408.545 3.794 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccc4cc[nH]c4n3)cc2)cc1 ZINC000498562659 1001978400 /nfs/dbraw/zinc/97/84/00/1001978400.db2.gz WFKMNELVWHNISX-UHFFFAOYSA-N -1 3 406.467 3.924 20 0 HHADHM COc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(C)cc1CN(C)C ZINC000507302685 1001985129 /nfs/dbraw/zinc/98/51/29/1001985129.db2.gz NBWJBJUDEPEAGZ-UHFFFAOYSA-N -1 3 413.337 3.629 20 0 HHADHM CCc1cnccc1CNC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000498703866 1002088601 /nfs/dbraw/zinc/08/86/01/1002088601.db2.gz CSRHNLVXUMTJCG-UHFFFAOYSA-N -1 3 416.909 3.563 20 0 HHADHM CCN(CC(F)(F)F)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000498748946 1002133280 /nfs/dbraw/zinc/13/32/80/1002133280.db2.gz YSJAABIXDCUMFE-UHFFFAOYSA-N -1 3 404.385 3.651 20 0 HHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N(Cc1ccccc1)Cc1ccc(F)cc1 ZINC000507571372 1002175810 /nfs/dbraw/zinc/17/58/10/1002175810.db2.gz VRXAJGCAYVUBTF-UHFFFAOYSA-N -1 3 403.413 3.944 20 0 HHADHM O=S(=O)([N-]c1ccc2nccnc2c1Br)c1cccc2cccnc21 ZINC000507596454 1002202894 /nfs/dbraw/zinc/20/28/94/1002202894.db2.gz AROYQUZKUHBBPF-UHFFFAOYSA-N -1 3 415.272 3.741 20 0 HHADHM COC[C@H]1CCN1C(=O)c1ccc(C)c([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000498824929 1002210106 /nfs/dbraw/zinc/21/01/06/1002210106.db2.gz RWBMJDUFSUNKDD-LJQANCHMSA-N -1 3 416.543 3.582 20 0 HHADHM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CC(C)(C)O3)cc1 ZINC000507620783 1002225211 /nfs/dbraw/zinc/22/52/11/1002225211.db2.gz MCDBEJXHKJXOML-UHFFFAOYSA-N -1 3 402.472 3.580 20 0 HHADHM O=S(=O)([N-]C1CC1)c1cc(-c2nc(-c3nccc4ccccc43)no2)ccc1F ZINC000507692129 1002284029 /nfs/dbraw/zinc/28/40/29/1002284029.db2.gz AENIDLWMFLFDIC-UHFFFAOYSA-N -1 3 410.430 3.532 20 0 HHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3c(C)nc(-c4ccco4)nc3SC)nc21 ZINC000507789388 1002345359 /nfs/dbraw/zinc/34/53/59/1002345359.db2.gz IANOFSMRUZHILK-UHFFFAOYSA-N -1 3 423.454 3.682 20 0 HHADHM CC(C)(C)c1cc(CS(=O)(=O)[N-]c2cc(F)c(F)cc2Br)no1 ZINC000507893505 1002427799 /nfs/dbraw/zinc/42/77/99/1002427799.db2.gz YJIATBCSSQAZEF-UHFFFAOYSA-N -1 3 409.252 3.955 20 0 HHADHM COC(=O)[C@H](CS(=O)(=O)[N-]c1cccc(C(F)F)c1Cl)c1ccccc1 ZINC000507918754 1002453574 /nfs/dbraw/zinc/45/35/74/1002453574.db2.gz GUNJTULBJVRWIM-CYBMUJFWSA-N -1 3 403.834 3.976 20 0 HHADHM CCCn1ccc2ccc([N-]S(=O)(=O)C[C@H](C(=O)OC)c3ccccc3)cc21 ZINC000507986990 1002516715 /nfs/dbraw/zinc/51/67/15/1002516715.db2.gz WPXLYCMJMCCECA-IBGZPJMESA-N -1 3 400.500 3.750 20 0 HHADHM F[C@H](C(F)(F)F)C(F)(F)Oc1ccc(CNC2(c3nn[n-]n3)CCCC2)cc1 ZINC000499211392 1002596333 /nfs/dbraw/zinc/59/63/33/1002596333.db2.gz IAYSLMVUEMUOHT-GFCCVEGCSA-N -1 3 409.334 3.631 20 0 HHADHM F[C@H](C(F)(F)F)C(F)(F)Oc1ccc(CNC2(c3nnn[n-]3)CCCC2)cc1 ZINC000499211392 1002596345 /nfs/dbraw/zinc/59/63/45/1002596345.db2.gz IAYSLMVUEMUOHT-GFCCVEGCSA-N -1 3 409.334 3.631 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CCC[C@@H]1/C=C\c1ccccc1 ZINC000508092818 1002616635 /nfs/dbraw/zinc/61/66/35/1002616635.db2.gz CJOJYVMBOIYFSB-VFCOFNOGSA-N -1 3 414.509 3.777 20 0 HHADHM O=S(=O)([N-]c1cncc(Cl)c1Br)c1cnccc1C(F)(F)F ZINC000508098057 1002622855 /nfs/dbraw/zinc/62/28/55/1002622855.db2.gz SBKPXYYSFRSKDH-UHFFFAOYSA-N -1 3 416.606 3.712 20 0 HHADHM COC(=O)c1sc2[n-]c(CN3CCCC[C@@H]3Cc3ccccc3)nc(=O)c2c1C ZINC000508131663 1002663487 /nfs/dbraw/zinc/66/34/87/1002663487.db2.gz GREOIAGLGZMOMA-MRXNPFEDSA-N -1 3 411.527 3.677 20 0 HHADHM CCCCN(C)C(=O)c1ccccc1S(=O)(=O)[N-]c1cc2[nH]ncc2c(C)c1 ZINC000499282785 1002692654 /nfs/dbraw/zinc/69/26/54/1002692654.db2.gz GIEOGERWRYAJLS-UHFFFAOYSA-N -1 3 400.504 3.544 20 0 HHADHM Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(Cc3cccc([O-])c3Cl)C2)cc1 ZINC000508163914 1002701022 /nfs/dbraw/zinc/70/10/22/1002701022.db2.gz ZBZHOOBVUXZUPM-MRXNPFEDSA-N -1 3 408.951 3.545 20 0 HHADHM CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)[N-]C[C@@H]2CCCC(F)(F)C2)s1 ZINC000499680600 1003034880 /nfs/dbraw/zinc/03/48/80/1003034880.db2.gz URFQRLFYYDRLAY-CYBMUJFWSA-N -1 3 422.563 3.557 20 0 HHADHM COc1ccccc1[C@H](CNC(=O)c1ccc(Br)c([O-])c1)N1CCCC1 ZINC000499738650 1003083828 /nfs/dbraw/zinc/08/38/28/1003083828.db2.gz FPLGBHJCNUGPAG-KRWDZBQOSA-N -1 3 419.319 3.730 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccc(N(C)CC(C)C)cc2)cc1OC ZINC000499739903 1003085084 /nfs/dbraw/zinc/08/50/84/1003085084.db2.gz JGPAADDDJAMKPS-UHFFFAOYSA-N -1 3 419.547 3.801 20 0 HHADHM 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ZINC000551436543 1010585369 /nfs/dbraw/zinc/58/53/69/1010585369.db2.gz QEJNDOWOHHTPFQ-UHFFFAOYSA-N -1 3 404.268 3.643 20 0 HHADHM C[C@H]1C[C@H](c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)CCC1=O ZINC000551436465 1010585431 /nfs/dbraw/zinc/58/54/31/1010585431.db2.gz PFHWEHIUMHWHIJ-GXSJLCMTSA-N -1 3 402.252 3.757 20 0 HHADHM CCO[C@H](Cc1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1)C(C)C ZINC000551437735 1010586028 /nfs/dbraw/zinc/58/60/28/1010586028.db2.gz UTCBYTKBJBKBFV-CYBMUJFWSA-N -1 3 406.284 3.888 20 0 HHADHM Cc1noc(C(C)(C)[N-]S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000551488918 1010619053 /nfs/dbraw/zinc/61/90/53/1010619053.db2.gz NLUVLXWOQYGAPN-UHFFFAOYSA-N -1 3 417.331 3.629 20 0 HHADHM CC(=O)[C@@H]1C[C@H](C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)C1(C)C ZINC000548691205 1010706438 /nfs/dbraw/zinc/70/64/38/1010706438.db2.gz IHXPLQMUAHZKKG-VQTJNVASSA-N -1 3 414.527 3.986 20 0 HHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc(F)ccc1Sc1ccc(Cl)cc1 ZINC000545387456 1010768631 /nfs/dbraw/zinc/76/86/31/1010768631.db2.gz HBFJLRLUJOUDFY-HNNXBMFYSA-N -1 3 405.882 3.872 20 0 HHADHM Cc1cc(C(C)(C)C(=O)NCc2ccc(-c3nnn[n-]3)cc2)ccc1Br ZINC000522041395 1010772758 /nfs/dbraw/zinc/77/27/58/1010772758.db2.gz YQQJEBNXDXJISY-UHFFFAOYSA-N -1 3 414.307 3.532 20 0 HHADHM Cc1cc(C(C)(C)C(=O)NCc2ccc(-c3nn[n-]n3)cc2)ccc1Br ZINC000522041395 1010772763 /nfs/dbraw/zinc/77/27/63/1010772763.db2.gz YQQJEBNXDXJISY-UHFFFAOYSA-N -1 3 414.307 3.532 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)Nc2ccccc2OC(C)C)cc1OC ZINC000522219508 1010872869 /nfs/dbraw/zinc/87/28/69/1010872869.db2.gz UQKCQGIGTTXWNJ-UHFFFAOYSA-N -1 3 407.492 3.888 20 0 HHADHM CC(=O)c1cccc(OCCCC(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)c1 ZINC000522261505 1010893612 /nfs/dbraw/zinc/89/36/12/1010893612.db2.gz VFRBGKKSTVRGKD-UHFFFAOYSA-N -1 3 405.454 3.746 20 0 HHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1 ZINC000522262722 1010894149 /nfs/dbraw/zinc/89/41/49/1010894149.db2.gz PYSINZCCUHQKNJ-ZDUSSCGKSA-N -1 3 411.405 3.556 20 0 HHADHM CC(=O)Nc1ccc([O-])c(C(=O)NCC2(c3cccc(Br)c3)CC2)c1 ZINC000522422865 1010999199 /nfs/dbraw/zinc/99/91/99/1010999199.db2.gz CPKXWBYFHBRKJL-UHFFFAOYSA-N -1 3 403.276 3.575 20 0 HHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000536137182 1011259939 /nfs/dbraw/zinc/25/99/39/1011259939.db2.gz RRIGMFQMOAKJOW-HNNXBMFYSA-N -1 3 417.380 3.911 20 0 HHADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@H](CC(F)(F)F)c1ccccc1 ZINC000536154456 1011279162 /nfs/dbraw/zinc/27/91/62/1011279162.db2.gz HWPCDXLGMNQGGG-CQSZACIVSA-N -1 3 405.369 3.584 20 0 HHADHM O=C(NC1(c2ccccc2F)CC1)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000522904897 1011349408 /nfs/dbraw/zinc/34/94/08/1011349408.db2.gz WEKBAOMYXFXRFI-UHFFFAOYSA-N -1 3 417.437 3.513 20 0 HHADHM O=C(Nc1ccc(Cl)cc1[O-])c1sccc1S(=O)(=O)N1CCCCC1 ZINC000536220278 1011368513 /nfs/dbraw/zinc/36/85/13/1011368513.db2.gz LLFMHHOECUMCAC-UHFFFAOYSA-N -1 3 400.909 3.534 20 0 HHADHM COc1cccc(-n2c(C)nnc2SCC(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000536238035 1011390099 /nfs/dbraw/zinc/39/00/99/1011390099.db2.gz IEIDHTJSDUCFGN-UHFFFAOYSA-N -1 3 404.879 3.674 20 0 HHADHM COc1cccc([C@@H]2[C@@H]([N-]S(=O)(=O)c3cc4ccccc4o3)CCN2C2CC2)c1 ZINC000540894700 1011569204 /nfs/dbraw/zinc/56/92/04/1011569204.db2.gz IYQXYSQWDFPTOK-SIKLNZKXSA-N -1 3 412.511 3.698 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)NC1C[C@@H](C)O[C@H](C)C1 ZINC000536612762 1011771685 /nfs/dbraw/zinc/77/16/85/1011771685.db2.gz PJIXGAQBMZFFFV-HUUCEWRRSA-N -1 3 420.506 3.621 20 0 HHADHM CCOC(=O)c1ccc(NC(=O)c2cnn3c2nccc3-c2ccccc2)c([O-])c1 ZINC000536621619 1011778852 /nfs/dbraw/zinc/77/88/52/1011778852.db2.gz WCDHRRIRWPBHRS-UHFFFAOYSA-N -1 3 402.410 3.531 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccccn3)c2)c(C)c1 ZINC000523376520 1011855500 /nfs/dbraw/zinc/85/55/00/1011855500.db2.gz IAFJRLFSODNQMK-UHFFFAOYSA-N -1 3 411.483 3.760 20 0 HHADHM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N([C@H](C)[C@@H](C)CC)C2CC2)cc1F ZINC000536703216 1011873523 /nfs/dbraw/zinc/87/35/23/1011873523.db2.gz SOQGWQODLBJWES-UONOGXRCSA-N -1 3 420.572 3.565 20 0 HHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1cnn(CC(C)C)c1C(F)F ZINC000551754786 1011913705 /nfs/dbraw/zinc/91/37/05/1011913705.db2.gz HRVCANXFTZWVKR-UHFFFAOYSA-N -1 3 416.432 3.524 20 0 HHADHM O=C(NCc1ccc([O-])c(F)c1)N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000523433176 1011921634 /nfs/dbraw/zinc/92/16/34/1011921634.db2.gz JAMLYXDQVMAUGP-INIZCTEOSA-N -1 3 409.864 3.788 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@H]2CCOC2)s1 ZINC000536758201 1011952456 /nfs/dbraw/zinc/95/24/56/1011952456.db2.gz XIPYKZHRKBWTOD-ZFWWWQNUSA-N -1 3 416.362 3.875 20 0 HHADHM CCCN(CC(C)C)C(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000536828150 1012057332 /nfs/dbraw/zinc/05/73/32/1012057332.db2.gz SXBSCLZNWRGIAO-UHFFFAOYSA-N -1 3 412.271 3.641 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)o1 ZINC000536893040 1012145554 /nfs/dbraw/zinc/14/55/54/1012145554.db2.gz KYBXZPZOTLVTFH-UHFFFAOYSA-N -1 3 407.495 3.978 20 0 HHADHM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(CCC(=O)N3CCCC3)cc2)cc1 ZINC000536899423 1012157480 /nfs/dbraw/zinc/15/74/80/1012157480.db2.gz DDPGBARURHLBPM-UHFFFAOYSA-N -1 3 416.543 3.830 20 0 HHADHM Cc1ncc(CNC(=O)c2ccccc2CSc2nc3ccccc3[nH]2)c(=O)[n-]1 ZINC000541459993 1012220740 /nfs/dbraw/zinc/22/07/40/1012220740.db2.gz JACJGNYQHIDGGP-UHFFFAOYSA-N -1 3 405.483 3.589 20 0 HHADHM CC(=O)c1cccc(NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc32)c1[O-] ZINC000552287101 1012299570 /nfs/dbraw/zinc/29/95/70/1012299570.db2.gz ILLUIDRRFWTCJU-UHFFFAOYSA-N -1 3 413.433 3.605 20 0 HHADHM Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(CN3CCSCC3)cc2C)cc1F ZINC000537034802 1012351540 /nfs/dbraw/zinc/35/15/40/1012351540.db2.gz ZIEVAFQMGXFQRU-UHFFFAOYSA-N -1 3 412.527 3.931 20 0 HHADHM CCC[C@H](C)N1Cc2cccc([N-]S(=O)(=O)c3cccc(C(=O)OC)c3)c2C1 ZINC000541587396 1012378147 /nfs/dbraw/zinc/37/81/47/1012378147.db2.gz HPBWYNNGFJYSEC-HNNXBMFYSA-N -1 3 402.516 3.778 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)NCCC(C)(C)C)c2)cc1 ZINC000523770161 1012405926 /nfs/dbraw/zinc/40/59/26/1012405926.db2.gz LNRKBHQWFLJKME-UHFFFAOYSA-N -1 3 419.547 3.731 20 0 HHADHM C[C@@H]1CC[C@H](NC(=O)c2c[n-]c3ccc(I)cc3c2=O)C[C@@H]1C ZINC000541735764 1012589999 /nfs/dbraw/zinc/58/99/99/1012589999.db2.gz DLMILBPWSFJRRZ-MDZLAQPJSA-N -1 3 424.282 3.687 20 0 HHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000537182815 1012592257 /nfs/dbraw/zinc/59/22/57/1012592257.db2.gz FABIYHWLJCLSKE-SJLPKXTDSA-N -1 3 411.401 3.967 20 0 HHADHM COc1cc2c(cc1F)[n-]cc(C(=O)Nc1ccc(C(=O)NC3CCCC3)cc1)c2=O ZINC000537212860 1012636054 /nfs/dbraw/zinc/63/60/54/1012636054.db2.gz RMGQXLJGTHNWDR-UHFFFAOYSA-N -1 3 423.444 3.601 20 0 HHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H]1CCCOc2c(Cl)cccc21 ZINC000537231610 1012665667 /nfs/dbraw/zinc/66/56/67/1012665667.db2.gz QXKWRUGKVFZWGR-GOSISDBHSA-N -1 3 424.888 3.779 20 0 HHADHM C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)Nc1c([O-])cccc1Cl ZINC000552781512 1012786622 /nfs/dbraw/zinc/78/66/22/1012786622.db2.gz JGFQYUDUGDDRST-SSDOTTSWSA-N -1 3 403.685 3.627 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCN(c2cccc(Br)c2)CC1 ZINC000552786099 1012791154 /nfs/dbraw/zinc/79/11/54/1012791154.db2.gz NUDXSUVCDIUSRS-UHFFFAOYSA-N -1 3 421.310 3.965 20 0 HHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H]2CCO[C@@H](C)C2)cc1 ZINC000537343906 1012806162 /nfs/dbraw/zinc/80/61/62/1012806162.db2.gz NKODXINZWKEIJK-IRXDYDNUSA-N -1 3 402.516 3.858 20 0 HHADHM CC(C)N1C(=O)C[C@H](C(=O)NCc2ccc([O-])c(F)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000537360503 1012830520 /nfs/dbraw/zinc/83/05/20/1012830520.db2.gz XYZGJBLUWAJXGU-XOBRGWDASA-N -1 3 422.859 3.938 20 0 HHADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@@H]1C[C@H]2CCC(C)(C)c3cccc1c32 ZINC000537360644 1012831192 /nfs/dbraw/zinc/83/11/92/1012831192.db2.gz DNXZGAZGXFBWDH-BXUZGUMPSA-N -1 3 406.529 3.508 20 0 HHADHM Cc1noc(C)c1C[C@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000524125301 1012904280 /nfs/dbraw/zinc/90/42/80/1012904280.db2.gz PDZSVDCXUWPTJA-QMMMGPOBSA-N -1 3 407.717 3.617 20 0 HHADHM CC(C)Oc1ccc(S(=O)(=O)[N-]c2cccc(CN3CCCCC3=O)c2)cc1 ZINC000552962496 1012949300 /nfs/dbraw/zinc/94/93/00/1012949300.db2.gz PWNXNWVBMOCLEJ-UHFFFAOYSA-N -1 3 402.516 3.787 20 0 HHADHM COC(=O)c1sc2ccccc2c1C[N-]S(=O)(=O)c1ccccc1SC ZINC000614838502 1071757416 /nfs/dbraw/zinc/75/74/16/1071757416.db2.gz QRBOGCCYVZBHKA-UHFFFAOYSA-N -1 3 407.538 3.888 20 0 HHADHM CCC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)cc1 ZINC000614856316 1071775972 /nfs/dbraw/zinc/77/59/72/1071775972.db2.gz ZNIMGTPWWWKLTA-AOMKIAJQSA-N -1 3 420.575 3.742 20 0 HHADHM COc1cccc([O-])c1C(=O)N1C[C@@H]2CCCC[C@@]2(CNC(=O)OC(C)(C)C)C1 ZINC001648988716 1071842603 /nfs/dbraw/zinc/84/26/03/1071842603.db2.gz ARRNPTGVASZDEE-OYHNWAKOSA-N -1 3 404.507 3.558 20 0 HHADHM CCOC(=O)C(CC)(CC)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC001211999119 1071862913 /nfs/dbraw/zinc/86/29/13/1071862913.db2.gz YILRZZJANQVYKF-UHFFFAOYSA-N -1 3 412.733 3.503 20 0 HHADHM COC(=O)c1ccc(Nc2ccc([O-])c(F)c2F)c(I)c1 ZINC001212010891 1071895733 /nfs/dbraw/zinc/89/57/33/1071895733.db2.gz FPHRYGBHUULZST-UHFFFAOYSA-N -1 3 405.138 3.805 20 0 HHADHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1cnc(-c2ccccc2)s1)c1cccs1 ZINC001212065116 1071943174 /nfs/dbraw/zinc/94/31/74/1071943174.db2.gz XYNBZPCFMUYQKA-INIZCTEOSA-N -1 3 408.570 3.910 20 0 HHADHM COC(=O)c1cc(S(=O)(=O)[N-][C@@]2(C)CCCC[C@H]2C)c(Br)cc1F ZINC001212077001 1072056092 /nfs/dbraw/zinc/05/60/92/1072056092.db2.gz CYLMZZFLVZOACG-HWPZZCPQSA-N -1 3 422.316 3.622 20 0 HHADHM CC(C)[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)C1(CO)CCCC1 ZINC001212088010 1072072566 /nfs/dbraw/zinc/07/25/66/1072072566.db2.gz COMDHLZBPHMCBZ-HNNXBMFYSA-N -1 3 424.788 3.958 20 0 HHADHM CCOc1cccc(-c2noc([C@@H](N)CCc3cc(=O)oc4cc([O-])ccc34)n2)c1 ZINC001212097730 1072074668 /nfs/dbraw/zinc/07/46/68/1072074668.db2.gz GXVYYBDPDCLXKV-SFHVURJKSA-N -1 3 407.426 3.580 20 0 HHADHM N[C@@H](CCc1cc(=O)oc2cc([O-])ccc12)c1nc(-c2ccc(Cl)cc2F)no1 ZINC001212097656 1072074972 /nfs/dbraw/zinc/07/49/72/1072074972.db2.gz CPDJOVJKVRZNSV-INIZCTEOSA-N -1 3 415.808 3.974 20 0 HHADHM N[C@@H](CCc1cc(=O)oc2cc([O-])ccc12)c1nc(-c2ccc3occc3c2)no1 ZINC001212098102 1072075928 /nfs/dbraw/zinc/07/59/28/1072075928.db2.gz YDPQZMLEJGHUNY-KRWDZBQOSA-N -1 3 403.394 3.927 20 0 HHADHM Cc1cc(F)c(F)cc1-c1noc([C@@H](N)CCc2cc(=O)oc3cc([O-])ccc23)n1 ZINC001212097991 1072076255 /nfs/dbraw/zinc/07/62/55/1072076255.db2.gz SUCNKPKAOBMTJS-KRWDZBQOSA-N -1 3 413.380 3.768 20 0 HHADHM CCc1cnc(COC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)o1 ZINC000785416748 1072160514 /nfs/dbraw/zinc/16/05/14/1072160514.db2.gz JBQJQLBVLLAMSS-UHFFFAOYSA-N -1 3 404.419 3.534 20 0 HHADHM CC(C)c1ccc(CN(C)C(=O)C[C@H](C)[N-]S(=O)(=O)c2cccnc2Cl)cc1 ZINC000760291016 1072195748 /nfs/dbraw/zinc/19/57/48/1072195748.db2.gz AZSAZFURBAHARY-HNNXBMFYSA-N -1 3 423.966 3.574 20 0 HHADHM C[C@@H]1CCC[C@@H](NC(=O)c2c[n-]c3ccc(I)cc3c2=O)[C@@H]1C ZINC000536748328 1072196816 /nfs/dbraw/zinc/19/68/16/1072196816.db2.gz XTDFDVALFFEYPG-UEKVPHQBSA-N -1 3 424.282 3.687 20 0 HHADHM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(N3CCCCCC3)cc2)c1 ZINC000760311207 1072239964 /nfs/dbraw/zinc/23/99/64/1072239964.db2.gz LEKVUJGFVUSKTJ-UHFFFAOYSA-N -1 3 422.572 3.661 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](C)c2ccc[nH]2)c(Br)c1 ZINC000760404304 1072330167 /nfs/dbraw/zinc/33/01/67/1072330167.db2.gz MNJYSDJFFVBHRN-VIFPVBQESA-N -1 3 422.142 3.888 20 0 HHADHM C[C@@H](CC(=O)N(C)c1cccc2ccccc21)[N-]S(=O)(=O)c1cccnc1Cl ZINC000760438635 1072348139 /nfs/dbraw/zinc/34/81/39/1072348139.db2.gz VDHWJTSUQJMGTP-AWEZNQCLSA-N -1 3 417.918 3.608 20 0 HHADHM O=C(OCc1nnc(-c2ccc(Br)s2)o1)c1cc(-c2ccco2)[n-]n1 ZINC000913298230 1072359414 /nfs/dbraw/zinc/35/94/14/1072359414.db2.gz HEUMYCQIYYLFMB-UHFFFAOYSA-N -1 3 421.232 3.901 20 0 HHADHM O=C(OCc1nnc(-c2ccc(Br)s2)o1)c1cc(-c2ccco2)n[n-]1 ZINC000913298230 1072359429 /nfs/dbraw/zinc/35/94/29/1072359429.db2.gz HEUMYCQIYYLFMB-UHFFFAOYSA-N -1 3 421.232 3.901 20 0 HHADHM Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(-c3ccco3)[n-]n2)c(Br)c1 ZINC000913299451 1072360197 /nfs/dbraw/zinc/36/01/97/1072360197.db2.gz KHGDAQMGHMILJF-LLVKDONJSA-N -1 3 418.247 3.925 20 0 HHADHM Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(-c3ccco3)n[n-]2)c(Br)c1 ZINC000913299451 1072360205 /nfs/dbraw/zinc/36/02/05/1072360205.db2.gz KHGDAQMGHMILJF-LLVKDONJSA-N -1 3 418.247 3.925 20 0 HHADHM Cc1cc(NC(=O)[C@@H](C)OC(=O)c2cc(-c3ccco3)[n-]n2)ccc1Br ZINC000913299122 1072360515 /nfs/dbraw/zinc/36/05/15/1072360515.db2.gz FEKFLCGKPXDOTH-LLVKDONJSA-N -1 3 418.247 3.925 20 0 HHADHM Cc1cc(NC(=O)[C@@H](C)OC(=O)c2cc(-c3ccco3)n[n-]2)ccc1Br ZINC000913299122 1072360525 /nfs/dbraw/zinc/36/05/25/1072360525.db2.gz FEKFLCGKPXDOTH-LLVKDONJSA-N -1 3 418.247 3.925 20 0 HHADHM CCC(CC)C(=O)N1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000586750360 1072414879 /nfs/dbraw/zinc/41/48/79/1072414879.db2.gz VONHIUURVITWHI-UHFFFAOYSA-N -1 3 408.542 3.898 20 0 HHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCN(C(=O)N2CCCCC2)CC1 ZINC000586748944 1072414945 /nfs/dbraw/zinc/41/49/45/1072414945.db2.gz JTFDBEYTZWBHOO-UHFFFAOYSA-N -1 3 421.541 3.541 20 0 HHADHM COc1cccc(CCC(=O)Nc2cc(I)ccc2[O-])c1F ZINC000586802068 1072426552 /nfs/dbraw/zinc/42/65/52/1072426552.db2.gz XZNHELCZFBZHMB-UHFFFAOYSA-N -1 3 415.202 3.716 20 0 HHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)C1(C(=O)Nc2ccc(F)cc2)CC1 ZINC000571018437 1072531749 /nfs/dbraw/zinc/53/17/49/1072531749.db2.gz UQGWPFIQJSDVMO-UHFFFAOYSA-N -1 3 405.389 3.714 20 0 HHADHM COc1cc(C(=O)N2CCCC[C@H]2CCN(C)C(=O)OC(C)(C)C)cc(OC)c1[O-] ZINC001648996819 1072578204 /nfs/dbraw/zinc/57/82/04/1072578204.db2.gz JJJKXQJAOHMDMI-INIZCTEOSA-N -1 3 422.522 3.661 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc1F ZINC000571220287 1072585493 /nfs/dbraw/zinc/58/54/93/1072585493.db2.gz OMVCLFVYYNAGIG-UHFFFAOYSA-N -1 3 415.368 3.840 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@]2(C)OCCc3sccc32)s1 ZINC000571248285 1072590880 /nfs/dbraw/zinc/59/08/80/1072590880.db2.gz HYGBSIQAHYGFRN-CQSZACIVSA-N -1 3 422.391 3.647 20 0 HHADHM CCSc1cccc(F)c1[N-]S(=O)(=O)c1cc2c3c(c1)CCCN3C(=O)C2 ZINC000571459312 1072626091 /nfs/dbraw/zinc/62/60/91/1072626091.db2.gz XCVPHVQFZYQMKC-UHFFFAOYSA-N -1 3 406.504 3.574 20 0 HHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(Cl)c2Br)c(C)o1 ZINC000479112802 1072729704 /nfs/dbraw/zinc/72/97/04/1072729704.db2.gz AQZOPMNMEGBDCK-UHFFFAOYSA-N -1 3 408.657 3.591 20 0 HHADHM CC(=O)Nc1cc(S(=O)(=O)[N-][C@@](C)(c2ccccc2)C(F)(F)F)ccc1F ZINC000479128748 1072739352 /nfs/dbraw/zinc/73/93/52/1072739352.db2.gz KMTJIQZHPKNYPR-INIZCTEOSA-N -1 3 404.385 3.540 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H]3CCC(=O)[C@H](C)C3)cc2)cc1 ZINC000479119088 1072755575 /nfs/dbraw/zinc/75/55/75/1072755575.db2.gz NAEPVRZLWREGDL-HZPDHXFCSA-N -1 3 400.500 3.740 20 0 HHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(Cl)c2Br)cs1 ZINC000479123446 1072759345 /nfs/dbraw/zinc/75/93/45/1072759345.db2.gz JYKLPYASAKZZFR-UHFFFAOYSA-N -1 3 410.698 3.751 20 0 HHADHM O=C(CCCC(=O)c1ccc(Br)cc1)Nc1n[n-]c(-c2ccco2)n1 ZINC000479420750 1072818120 /nfs/dbraw/zinc/81/81/20/1072818120.db2.gz IMFBXEXCDQRFJX-UHFFFAOYSA-N -1 3 403.236 3.819 20 0 HHADHM Cc1cc(-c2noc([C@H](C)[N-]S(=O)(=O)CC3Cc4ccccc4C3)n2)ccc1F ZINC000554899792 1072947811 /nfs/dbraw/zinc/94/78/11/1072947811.db2.gz HFGNRRVFLRASOB-AWEZNQCLSA-N -1 3 415.490 3.580 20 0 HHADHM O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)Nc1cccc2[nH]ccc21 ZINC000588703281 1073150785 /nfs/dbraw/zinc/15/07/85/1073150785.db2.gz JYCRAZMQTFQJCY-UHFFFAOYSA-N -1 3 412.298 3.782 20 0 HHADHM O=C(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)c1c[n-]c2ccccc2c1=O ZINC000588882793 1073327671 /nfs/dbraw/zinc/32/76/71/1073327671.db2.gz XNEBSEOMVKGOJV-UHFFFAOYSA-N -1 3 400.316 3.849 20 0 HHADHM CO[C@@H](C)c1cccc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)c1 ZINC000588884173 1073328198 /nfs/dbraw/zinc/32/81/98/1073328198.db2.gz MTKQEHYNEOGBIE-ZDUSSCGKSA-N -1 3 417.462 3.914 20 0 HHADHM Cn1ccc2c1cccc2NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000588893417 1073332384 /nfs/dbraw/zinc/33/23/84/1073332384.db2.gz HXWPQXRGWWFHJR-UHFFFAOYSA-N -1 3 412.446 3.699 20 0 HHADHM C[C@@H](CC(=O)N(CC1CCC1)c1ccccc1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000760719333 1073360916 /nfs/dbraw/zinc/36/09/16/1073360916.db2.gz NRHKAULRHYCIDD-HNNXBMFYSA-N -1 3 421.950 3.625 20 0 HHADHM CC[C@H](Cc1ccccc1)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000590042533 1073499416 /nfs/dbraw/zinc/49/94/16/1073499416.db2.gz ORWIDHJRBFNLMB-MRXNPFEDSA-N -1 3 415.490 3.706 20 0 HHADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(Br)c2Cl)cc1F ZINC000555460991 1073508497 /nfs/dbraw/zinc/50/84/97/1073508497.db2.gz ZVFGCLJIEHKLNE-UHFFFAOYSA-N -1 3 422.659 3.829 20 0 HHADHM COc1ccc(CC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)c(OC)c1OC ZINC000590070361 1073545070 /nfs/dbraw/zinc/54/50/70/1073545070.db2.gz RLQCFAUOEVKADZ-UHFFFAOYSA-N -1 3 420.314 3.540 20 0 HHADHM O=C(/C=C\c1cccc(OC2CCCC2)c1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000760763422 1073567917 /nfs/dbraw/zinc/56/79/17/1073567917.db2.gz SUUXGHFMLCKGIZ-JYRVWZFOSA-N -1 3 420.509 3.711 20 0 HHADHM CCOC(=O)c1ncc(NC(=O)C(C)(C)Cc2ccc(Br)c(C)c2)[n-]1 ZINC000590341480 1073736914 /nfs/dbraw/zinc/73/69/14/1073736914.db2.gz YNBUIQROKQJBQD-UHFFFAOYSA-N -1 3 408.296 3.865 20 0 HHADHM CCOC(=O)c1nc(NC(=O)C(C)(C)Cc2ccc(Br)c(C)c2)c[n-]1 ZINC000590341480 1073736921 /nfs/dbraw/zinc/73/69/21/1073736921.db2.gz YNBUIQROKQJBQD-UHFFFAOYSA-N -1 3 408.296 3.865 20 0 HHADHM COc1cccc2c1[C@H](C(=O)Nc1cc(I)ccc1[O-])CC2 ZINC000590316249 1073746431 /nfs/dbraw/zinc/74/64/31/1073746431.db2.gz HKYQBDRWESJQBZ-GFCCVEGCSA-N -1 3 409.223 3.674 20 0 HHADHM COc1ccc(Cn2nccc2NC(=O)c2cc([O-])ccc2Cl)c(OC)c1OC ZINC000555773017 1073815489 /nfs/dbraw/zinc/81/54/89/1073815489.db2.gz MUUBWYRNFZVCKQ-UHFFFAOYSA-N -1 3 417.849 3.569 20 0 HHADHM CSc1cccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)n1 ZINC000573038098 1074068861 /nfs/dbraw/zinc/06/88/61/1074068861.db2.gz RGJMYLIICADTQQ-UHFFFAOYSA-N -1 3 417.487 3.996 20 0 HHADHM CC(C)[C@H](c1ccccc1)N(C)C(=O)C[C@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000760593631 1074136366 /nfs/dbraw/zinc/13/63/66/1074136366.db2.gz VXWVCCBBBMVBBC-HNAYVOBHSA-N -1 3 423.966 3.648 20 0 HHADHM CN(C)c1ccc(C(=O)N2C[C@@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)cc1 ZINC001649005321 1074150846 /nfs/dbraw/zinc/15/08/46/1074150846.db2.gz HEWOITTZLDXICZ-OAHLLOKOSA-N -1 3 405.420 3.565 20 0 HHADHM CCC(CC)CNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000591289905 1074231475 /nfs/dbraw/zinc/23/14/75/1074231475.db2.gz DNJRHUFQEGCUOI-UHFFFAOYSA-N -1 3 404.532 3.970 20 0 HHADHM CC[C@H](C)[C@H](C)N(C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)C1CC1 ZINC000591318748 1074245295 /nfs/dbraw/zinc/24/52/95/1074245295.db2.gz ISOSMDIXEYMCHD-KBPBESRZSA-N -1 3 407.511 3.994 20 0 HHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CCSc2ccc(C)cc2)cc1Cl ZINC000591386752 1074261807 /nfs/dbraw/zinc/26/18/07/1074261807.db2.gz YHDFQUSVTNYYMK-UHFFFAOYSA-N -1 3 416.927 3.817 20 0 HHADHM Cc1ccc(C)c(OCC(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)c1 ZINC000591366572 1074267478 /nfs/dbraw/zinc/26/74/78/1074267478.db2.gz HLWGRAOXUIRXTR-UHFFFAOYSA-N -1 3 416.421 3.711 20 0 HHADHM CCc1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)cc1 ZINC000591366502 1074267528 /nfs/dbraw/zinc/26/75/28/1074267528.db2.gz CTJBOTIZBXERPO-UHFFFAOYSA-N -1 3 416.421 3.657 20 0 HHADHM CC(=O)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)s1 ZINC000591367706 1074268025 /nfs/dbraw/zinc/26/80/25/1074268025.db2.gz GXKMFOXSZSMKMW-UHFFFAOYSA-N -1 3 406.407 3.593 20 0 HHADHM Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)nn1C(C)(C)C ZINC000591367230 1074268527 /nfs/dbraw/zinc/26/85/27/1074268527.db2.gz LIRKWISGPWASTA-UHFFFAOYSA-N -1 3 418.441 3.589 20 0 HHADHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CCC(c2ccc(F)c(F)c2)CC1 ZINC000591463495 1074310054 /nfs/dbraw/zinc/31/00/54/1074310054.db2.gz LDIWAOWFIHHCPA-FQEVSTJZSA-N -1 3 414.452 3.681 20 0 HHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCc3cccc(CO)c3)c2)cc1 ZINC000591466351 1074311587 /nfs/dbraw/zinc/31/15/87/1074311587.db2.gz KWTHNXDYQKVOAX-UHFFFAOYSA-N -1 3 424.522 3.527 20 0 HHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 ZINC000592728761 1075101539 /nfs/dbraw/zinc/10/15/39/1075101539.db2.gz YBIBZNAIHKQPEW-UHFFFAOYSA-N -1 3 400.229 3.612 20 0 HHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 ZINC000592728761 1075101540 /nfs/dbraw/zinc/10/15/40/1075101540.db2.gz YBIBZNAIHKQPEW-UHFFFAOYSA-N -1 3 400.229 3.612 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2C)cc1C(N)=O ZINC000596932881 1075605425 /nfs/dbraw/zinc/60/54/25/1075605425.db2.gz RHUMFKFKNLTZKW-UHFFFAOYSA-N -1 3 412.467 3.696 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)OCC[C@@H]1CCCO1 ZINC000761244301 1075723292 /nfs/dbraw/zinc/72/32/92/1075723292.db2.gz RSOCYAJUJJMVPJ-HNNXBMFYSA-N -1 3 407.463 3.661 20 0 HHADHM COc1cc(Cl)c([N-]S(=O)(=O)c2ccccc2Br)cc1OC ZINC000012970294 560789760 /nfs/dbraw/zinc/78/97/60/560789760.db2.gz WWKVWNAEAKGXND-UHFFFAOYSA-N -1 3 406.685 3.921 20 0 HHADHM O=C1Nc2c(cccc2F)C12CCN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)CC2 ZINC001165022439 721833023 /nfs/dbraw/zinc/83/30/23/721833023.db2.gz NWAQFJHCRWBBKP-UHFFFAOYSA-N -1 3 414.840 3.593 20 0 HHADHM CCOc1ccccc1N1CCN(c2ccc(-c3nc(CC)cc(=O)[n-]3)cn2)CC1 ZINC000301190381 970797575 /nfs/dbraw/zinc/79/75/75/970797575.db2.gz YLRWSJVGDHNKTB-UHFFFAOYSA-N -1 3 405.502 3.532 20 0 HHADHM CCc1ccc(CN2CCN(c3ccc(-c4nc(CC)cc(=O)[n-]4)cn3)CC2)s1 ZINC000301334675 970873334 /nfs/dbraw/zinc/87/33/34/970873334.db2.gz BPDRONFCBONOPN-UHFFFAOYSA-N -1 3 409.559 3.753 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC(Nc4cccc(OC)c4)CC3)nc2)n1 ZINC000301446310 970932166 /nfs/dbraw/zinc/93/21/66/970932166.db2.gz YJACSIGSOJYAFY-UHFFFAOYSA-N -1 3 405.502 3.896 20 0 HHADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)c1ccccc1 ZINC000301454032 970936767 /nfs/dbraw/zinc/93/67/67/970936767.db2.gz BCMFKADJNATLOT-HNNXBMFYSA-N -1 3 406.857 3.940 20 0 HHADHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(CC)CCO)c2)cc1 ZINC000301995785 971147289 /nfs/dbraw/zinc/14/72/89/971147289.db2.gz KDYQVZLWKWTCSP-UHFFFAOYSA-N -1 3 418.559 3.593 20 0 HHADHM [O-]c1ccc(CNc2nn3cc(-c4cccnc4)nc3s2)cc1Br ZINC000302197300 971205047 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970183861 /nfs/dbraw/zinc/18/38/61/970183861.db2.gz BGRKNIYIQGJXBJ-LJQANCHMSA-N -1 3 409.486 3.683 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCCc1ccc(F)cc1F ZINC000554602879 1013987228 /nfs/dbraw/zinc/98/72/28/1013987228.db2.gz AKKLTXGYGKKURW-JOCHJYFZSA-N -1 3 424.447 3.891 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)[C@@H](C)C3CC3)c2)cc1 ZINC000248120630 970510963 /nfs/dbraw/zinc/51/09/63/970510963.db2.gz RTBUYBUSFYIXDY-HNNXBMFYSA-N -1 3 402.516 3.675 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C3CCN(c4ccc(C)cn4)CC3)c2)n1 ZINC000195626761 970569686 /nfs/dbraw/zinc/56/96/86/970569686.db2.gz YRBMBHLFOFDIOD-UHFFFAOYSA-N -1 3 417.513 3.558 20 0 HHADHM Cc1c(C(=O)Nc2ccc(Br)cc2[O-])nnn1-c1cccc2cccnc21 ZINC000261412689 970661492 /nfs/dbraw/zinc/66/14/92/970661492.db2.gz VHOMUMIAPIZKDT-UHFFFAOYSA-N -1 3 424.258 3.844 20 0 HHADHM O=C(Nc1ccc(Br)cc1[O-])[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000261433204 970676942 /nfs/dbraw/zinc/67/69/42/970676942.db2.gz JMZUVENFDHGCJC-CQSZACIVSA-N 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972729388 /nfs/dbraw/zinc/72/93/88/972729388.db2.gz UAPUFFJUGKWUQX-UHFFFAOYSA-N -1 3 419.272 3.511 20 0 HHADHM C[C@@H]1CCN(C(=O)c2ccc(Br)cc2[O-])CCN1Cc1ccccc1 ZINC000383064050 972788363 /nfs/dbraw/zinc/78/83/63/972788363.db2.gz BANWPECNZFMQOH-OAHLLOKOSA-N -1 3 403.320 3.891 20 0 HHADHM CN(C(=O)c1ccc(Br)cc1[O-])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000388245702 972803566 /nfs/dbraw/zinc/80/35/66/972803566.db2.gz DEVYXLQPVPZDJJ-QGZVFWFLSA-N -1 3 403.320 3.891 20 0 HHADHM O=S(=O)([N-]c1cccnc1Br)c1ccc(OC(F)F)c(Cl)c1 ZINC000389426625 972811649 /nfs/dbraw/zinc/81/16/49/972811649.db2.gz WXTTVXITMYFKNU-UHFFFAOYSA-N -1 3 413.627 3.900 20 0 HHADHM Cc1nc([C@H]([N-]S(=O)(=O)CCc2ccc(C)cc2)c2ccc(Cl)cc2)no1 ZINC000409495093 972947387 /nfs/dbraw/zinc/94/73/87/972947387.db2.gz UGVJTCMQNSOBOF-GOSISDBHSA-N -1 3 405.907 3.591 20 0 HHADHM Cc1nc(C)c(CCC(=O)Nc2nnc(SCc3ccccc3)s2)c(=O)[n-]1 ZINC000409606045 973052546 /nfs/dbraw/zinc/05/25/46/973052546.db2.gz GEHPLPZJWBODNQ-UHFFFAOYSA-N -1 3 401.517 3.514 20 0 HHADHM O=S(=O)([N-][C@@H]1CCCC12CCOCC2)c1cc(Cl)ccc1Br ZINC000409927876 973389914 /nfs/dbraw/zinc/38/99/14/973389914.db2.gz VHWAZFZBDJYAIK-CQSZACIVSA-N -1 3 408.745 3.730 20 0 HHADHM CC(=O)c1cc(F)c([N-]C(=O)c2nnn(CCOc3ccc(F)cc3)c2C)c(F)c1 ZINC000409989985 973462263 /nfs/dbraw/zinc/46/22/63/973462263.db2.gz BGGHDSIGJLNPHD-UHFFFAOYSA-N -1 3 418.375 3.538 20 0 HHADHM CCOC(=O)c1nc(C2CCN(C(=O)[C@H](C)c3ccc(C(F)(F)F)cc3)CC2)n[n-]1 ZINC000409998467 973474296 /nfs/dbraw/zinc/47/42/96/973474296.db2.gz MIBIAXUMTHQIRT-GFCCVEGCSA-N -1 3 424.423 3.510 20 0 HHADHM CCOC(=O)c1nnc(C2CCN(C(=O)[C@H](C)c3ccc(C(F)(F)F)cc3)CC2)[n-]1 ZINC000409998467 973474301 /nfs/dbraw/zinc/47/43/01/973474301.db2.gz MIBIAXUMTHQIRT-GFCCVEGCSA-N -1 3 424.423 3.510 20 0 HHADHM C[C@@H]([N-]S(=O)(=O)c1cccc2c1OC(C)(C)C2)c1nc(-c2cccc(F)c2)no1 ZINC000410148104 973634059 /nfs/dbraw/zinc/63/40/59/973634059.db2.gz PIMMCQKQJWLLQV-GFCCVEGCSA-N -1 3 417.462 3.629 20 0 HHADHM O=S(=O)([N-][C@@H]1CCCC[C@H]1OC(F)F)c1cc(Cl)ccc1Br ZINC000410172786 973667201 /nfs/dbraw/zinc/66/72/01/973667201.db2.gz FQUXRDMYRYGGFA-GHMZBOCLSA-N -1 3 418.687 3.931 20 0 HHADHM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(O[C@H]3CCN(C)C3=O)cc2C)c1C ZINC000410405320 974005553 /nfs/dbraw/zinc/00/55/53/974005553.db2.gz IPVNCCHOGWKLOX-FQEVSTJZSA-N -1 3 416.543 3.639 20 0 HHADHM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(O[C@H]3CCN(C)C3=O)cc2C)cc1 ZINC000410409249 974008357 /nfs/dbraw/zinc/00/83/57/974008357.db2.gz WNTMIHBVQYUPFM-BTYIYWSLSA-N -1 3 416.543 3.919 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N[C@H](C)c3cc(C)cc(C)c3)c2)n1 ZINC000410410177 974009224 /nfs/dbraw/zinc/00/92/24/974009224.db2.gz HBOQQNRHIWDXGD-MRXNPFEDSA-N -1 3 418.497 3.844 20 0 HHADHM CCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2F)cc1 ZINC000410420815 974019086 /nfs/dbraw/zinc/01/90/86/974019086.db2.gz SYLGYVTWPSXJIO-UHFFFAOYSA-N -1 3 412.291 3.727 20 0 HHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccccc3N3C[C@@H](C)O[C@H](C)C3)c[n-]c12 ZINC000426216172 974319109 /nfs/dbraw/zinc/31/91/09/974319109.db2.gz UATKBUUNLGHJAV-HUUCEWRRSA-N -1 3 409.461 3.842 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2Cc3ccccc3OC(C)(C)C2)c1 ZINC000426469303 974469582 /nfs/dbraw/zinc/46/95/82/974469582.db2.gz HWDCJSRNRKGGCP-UHFFFAOYSA-N -1 3 421.453 3.754 20 0 HHADHM O=C(Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2Cl)c1)c1ccncn1 ZINC000426606530 974559712 /nfs/dbraw/zinc/55/97/12/974559712.db2.gz YNZKWQLYZFPYKC-UHFFFAOYSA-N -1 3 423.281 3.837 20 0 HHADHM COc1cc(C[NH2+]C[C@@H](Cc2cccc(C)c2)C(=O)[O-])cc(Br)c1[O-] ZINC000426630333 974572524 /nfs/dbraw/zinc/57/25/24/974572524.db2.gz INPRRYRDKSJTNX-OAHLLOKOSA-N -1 3 408.292 3.505 20 0 HHADHM COc1cc(Br)c(CNC[C@@H](Cc2cccc(C)c2)C(=O)[O-])c(OC)c1 ZINC000426639572 974577110 /nfs/dbraw/zinc/57/71/10/974577110.db2.gz NUUOCMCQMUDPGN-OAHLLOKOSA-N -1 3 422.319 3.808 20 0 HHADHM O=C([O-])[C@H](CNCc1ccc(Br)cc1Cl)Oc1ccc(F)cc1 ZINC000426641910 974578607 /nfs/dbraw/zinc/57/86/07/974578607.db2.gz CPQLUYDTURMMCI-HNNXBMFYSA-N -1 3 402.647 3.863 20 0 HHADHM O=C([O-])[C@H](Cc1ccc2c(c1)OCCCO2)NCc1csc(-c2ccsc2)n1 ZINC000426718138 974613487 /nfs/dbraw/zinc/61/34/87/974613487.db2.gz AEDRQPISBDLIJP-INIZCTEOSA-N -1 3 416.524 3.818 20 0 HHADHM COc1cc(C[NH2+][C@@H](CCC(=O)[O-])Cc2ccccc2)cc(Br)c1[O-] ZINC000426733660 974622623 /nfs/dbraw/zinc/62/26/23/974622623.db2.gz NQKPAIYYIATOII-HNNXBMFYSA-N -1 3 408.292 3.729 20 0 HHADHM COc1ccc(Br)c(CN[C@@H](CSCCc2ccccc2)C(=O)[O-])c1 ZINC000426742221 974628983 /nfs/dbraw/zinc/62/89/83/974628983.db2.gz IXZSJOJMWGJSNU-SFHVURJKSA-N -1 3 424.360 3.976 20 0 HHADHM O=C([O-])[C@@H](CN1CCCCC1)NCc1ccc(-c2cccc(Br)c2)o1 ZINC000426763753 974642233 /nfs/dbraw/zinc/64/22/33/974642233.db2.gz TYKGRAOMBFINMP-QGZVFWFLSA-N -1 3 407.308 3.738 20 0 HHADHM Cc1nc(COc2ccc(CN[C@@H](CC(=O)[O-])c3ccc(Cl)cc3)cc2)no1 ZINC000426789711 974662091 /nfs/dbraw/zinc/66/20/91/974662091.db2.gz XBWRPVVYFWTGOG-SFHVURJKSA-N -1 3 401.850 3.916 20 0 HHADHM COCCOc1cccc(CN[C@H](CC(=O)[O-])c2cccc(Br)c2)c1 ZINC000426805777 974674306 /nfs/dbraw/zinc/67/43/06/974674306.db2.gz FPUKQBKNHNIUPP-GOSISDBHSA-N -1 3 408.292 3.780 20 0 HHADHM O=C([O-])[C@@H](CCCc1ccccc1)NCc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000426822201 974687751 /nfs/dbraw/zinc/68/77/51/974687751.db2.gz AJSGVUVAWKEPOD-LJQANCHMSA-N -1 3 402.857 3.626 20 0 HHADHM COc1cc(CN[C@H](C(=O)[O-])c2ccsc2)ccc1OCc1c(C)noc1C ZINC000426832247 974697021 /nfs/dbraw/zinc/69/70/21/974697021.db2.gz ILVRHQPUAXAIEY-IBGZPJMESA-N -1 3 402.472 3.856 20 0 HHADHM CC(C)(C)Cc1nc(-c2ccc(C(=O)Nc3ccc(Cc4nnn[n-]4)cc3)cc2)no1 ZINC000427068926 974874725 /nfs/dbraw/zinc/87/47/25/974874725.db2.gz FIRLXUDOIREAHV-UHFFFAOYSA-N -1 3 417.473 3.681 20 0 HHADHM CC(C)(C)Cc1nc(-c2ccc(C(=O)Nc3ccc(Cc4nn[n-]n4)cc3)cc2)no1 ZINC000427068926 974874730 /nfs/dbraw/zinc/87/47/30/974874730.db2.gz FIRLXUDOIREAHV-UHFFFAOYSA-N -1 3 417.473 3.681 20 0 HHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1ccccc1SCc1cscn1 ZINC000427083508 974889474 /nfs/dbraw/zinc/88/94/74/974889474.db2.gz ACTGPZCWOUTVRG-UHFFFAOYSA-N -1 3 408.512 3.792 20 0 HHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1ccccc1SCc1cscn1 ZINC000427083508 974889476 /nfs/dbraw/zinc/88/94/76/974889476.db2.gz ACTGPZCWOUTVRG-UHFFFAOYSA-N -1 3 408.512 3.792 20 0 HHADHM COC(=O)C1(CS(=O)(=O)[N-]c2ccc(-c3csc(C)n3)cc2)CCCCC1 ZINC000427140311 974935350 /nfs/dbraw/zinc/93/53/50/974935350.db2.gz PQMUUVZKIWYLSG-UHFFFAOYSA-N -1 3 408.545 3.984 20 0 HHADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000427140968 974936187 /nfs/dbraw/zinc/93/61/87/974936187.db2.gz XBDHKPURUKIAJM-JTQLQIEISA-N -1 3 420.878 3.765 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(I)c2)c(C)c1 ZINC000427193644 974969313 /nfs/dbraw/zinc/96/93/13/974969313.db2.gz UPSIQQRAGWWJHJ-UHFFFAOYSA-N -1 3 417.268 3.717 20 0 HHADHM O=S(=O)([N-]c1ccnc(N2CCc3ccccc3C2)c1)c1ccc2c(c1)CCCO2 ZINC000427644390 975222006 /nfs/dbraw/zinc/22/20/06/975222006.db2.gz ICUQDCCBLYIQHN-UHFFFAOYSA-N -1 3 421.522 3.770 20 0 HHADHM C[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)CC1(F)F ZINC000427660281 975229304 /nfs/dbraw/zinc/22/93/04/975229304.db2.gz QRVDYTDNXLXXFH-CYBMUJFWSA-N -1 3 412.433 3.744 20 0 HHADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000427695994 975241867 /nfs/dbraw/zinc/24/18/67/975241867.db2.gz NBRVYXQMKVECOD-HNNXBMFYSA-N -1 3 423.694 3.938 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)[C@H]3CC3(C)C)c2)cc1 ZINC000428203436 975527832 /nfs/dbraw/zinc/52/78/32/975527832.db2.gz XNFOEZPGIQYXKJ-IBGZPJMESA-N -1 3 402.516 3.675 20 0 HHADHM COc1cc(C(=O)N[C@H]2CSc3ccc(Br)cc32)cc(OC)c1[O-] ZINC000428211665 975536040 /nfs/dbraw/zinc/53/60/40/975536040.db2.gz WMZOXDMPRBRWOP-LBPRGKRZSA-N -1 3 410.289 3.749 20 0 HHADHM Cc1nc(C2([N-]S(=O)(=O)c3ccc(Cl)c(Br)c3)CCCC2)no1 ZINC000428235331 975553188 /nfs/dbraw/zinc/55/31/88/975553188.db2.gz CCLJDIORBNHLEP-UHFFFAOYSA-N -1 3 420.716 3.542 20 0 HHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@]2(CO)C[C@@H]2c2ccc(F)cc2)c1Cl ZINC000428394542 975715067 /nfs/dbraw/zinc/71/50/67/975715067.db2.gz BMAMTVPLAVCOQG-KDOFPFPSSA-N -1 3 418.317 3.885 20 0 HHADHM CC(=O)c1sc2[n-]c(Cn3c4ccccc4nc3C(F)(F)F)nc(=O)c2c1C ZINC000428645027 975945505 /nfs/dbraw/zinc/94/55/05/975945505.db2.gz XZJKZUAKEZAIEY-UHFFFAOYSA-N -1 3 406.389 3.912 20 0 HHADHM CCCn1ccnc1CCCN(C)C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000428681186 975972716 /nfs/dbraw/zinc/97/27/16/975972716.db2.gz FPPFGIOYGMRPJM-UHFFFAOYSA-N -1 3 408.506 3.861 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)NC[C@]3(CO)C[C@H]3c3ccc(F)cc3)cc2)cc(=O)[n-]1 ZINC000428702016 975993109 /nfs/dbraw/zinc/99/31/09/975993109.db2.gz UNVANKSRDWZXKP-CVDCTZTESA-N -1 3 422.460 3.584 20 0 HHADHM O=C([N-]c1nnc(SCc2cccs2)s1)c1cnc(C(F)(F)F)nc1 ZINC000429017435 976298464 /nfs/dbraw/zinc/29/84/64/976298464.db2.gz FOJNPJKVXBQLJM-UHFFFAOYSA-N -1 3 403.436 3.953 20 0 HHADHM CO[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Br)c1ccccc1 ZINC000429818266 977090685 /nfs/dbraw/zinc/09/06/85/977090685.db2.gz PMKLIBNVPXYXIM-CQSZACIVSA-N -1 3 404.713 3.769 20 0 HHADHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429819750 977091613 /nfs/dbraw/zinc/09/16/13/977091613.db2.gz VMPCUSKHGMGHJU-UHFFFAOYSA-N -1 3 407.717 3.694 20 0 HHADHM CC(C)(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Br)CCO1 ZINC000429840539 977111061 /nfs/dbraw/zinc/11/10/61/977111061.db2.gz OVRGUKAETTZVDR-BXUZGUMPSA-N -1 3 410.761 3.975 20 0 HHADHM CCOCCC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2Br)CCC1 ZINC000429844518 977116523 /nfs/dbraw/zinc/11/65/23/977116523.db2.gz AZFULLQDYVRMHP-UHFFFAOYSA-N -1 3 410.761 3.978 20 0 HHADHM O=S(=O)([N-]Cc1ccc2c(c1)COC2)c1cc(Cl)ccc1Br ZINC000429859287 977130503 /nfs/dbraw/zinc/13/05/03/977130503.db2.gz PIBSMYCLQOVMHO-UHFFFAOYSA-N -1 3 402.697 3.611 20 0 HHADHM O=S(=O)([N-][C@@H]1CCCC[C@@H]1n1cccn1)c1cc(Cl)ccc1Br ZINC000429860310 977131791 /nfs/dbraw/zinc/13/17/91/977131791.db2.gz LROWUZKCPARPIL-KGLIPLIRSA-N -1 3 418.744 3.761 20 0 HHADHM C[C@]1(C[N-]S(=O)(=O)c2cc(Cl)ccc2Br)CCO[C@@H]1C1CC1 ZINC000429908842 977185126 /nfs/dbraw/zinc/18/51/26/977185126.db2.gz KFZBMPQCJDPAII-HUUCEWRRSA-N -1 3 408.745 3.586 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H]3CC34CCCC4)c2)cc1 ZINC000430236457 977409617 /nfs/dbraw/zinc/40/96/17/977409617.db2.gz AXPVYMARPFMAFD-HXUWFJFHSA-N -1 3 414.527 3.867 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)NCC1(c2ccc(F)cc2Cl)CCCC1 ZINC000430271125 977435934 /nfs/dbraw/zinc/43/59/34/977435934.db2.gz WTUCBXLVIXXNNB-UHFFFAOYSA-N -1 3 419.810 3.927 20 0 HHADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2c3c(ccc2Cl)CC(C)(C)O3)ccc1F ZINC000430380845 977514124 /nfs/dbraw/zinc/51/41/24/977514124.db2.gz YTLLUIKHJRRVSJ-UHFFFAOYSA-N -1 3 412.870 3.952 20 0 HHADHM Cc1ncsc1CNC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430548463 977626387 /nfs/dbraw/zinc/62/63/87/977626387.db2.gz WRIDJBVOMPGOBX-UHFFFAOYSA-N -1 3 412.696 3.639 20 0 HHADHM C[C@H](NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O)[C@H]1CCCCO1 ZINC000430569824 977636624 /nfs/dbraw/zinc/63/66/24/977636624.db2.gz JDOHXJPWCLNGJI-LKFCYVNXSA-N -1 3 413.699 3.631 20 0 HHADHM O=C(NC[C@H]1CCCCS1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430576183 977640674 /nfs/dbraw/zinc/64/06/74/977640674.db2.gz WAGWCONTMQILFX-SNVBAGLBSA-N -1 3 415.740 3.960 20 0 HHADHM CC[C@]1(C)CN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)CCO1 ZINC000430610615 977654433 /nfs/dbraw/zinc/65/44/33/977654433.db2.gz LLSKKNKUKGMESK-QGZVFWFLSA-N -1 3 413.699 3.585 20 0 HHADHM COC(=O)c1sc2[n-]c(CN3c4ccccc4SC[C@H]3C)nc(=O)c2c1C ZINC000430998531 977944083 /nfs/dbraw/zinc/94/40/83/977944083.db2.gz CEJPJGWLLBMRBL-SNVBAGLBSA-N -1 3 401.513 3.580 20 0 HHADHM Cc1nc(C)c(CCC(=O)N2CCC[C@@H]2c2ccc(Br)c(F)c2)c(=O)[n-]1 ZINC000431141739 978044762 /nfs/dbraw/zinc/04/47/62/978044762.db2.gz ZRERFZDQGNOCJN-QGZVFWFLSA-N -1 3 422.298 3.997 20 0 HHADHM CCc1ccc(C(C)(C)CNC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)cc1 ZINC000431561014 978359994 /nfs/dbraw/zinc/35/99/94/978359994.db2.gz YYPPQCQABHIRET-UHFFFAOYSA-N -1 3 418.541 3.729 20 0 HHADHM COc1cc(Br)cc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)F)c1 ZINC000431632459 978397431 /nfs/dbraw/zinc/39/74/31/978397431.db2.gz AGOVWXLHGKQWDG-AWEZNQCLSA-N -1 3 406.248 3.742 20 0 HHADHM O=C1[C@@H]2C[C@@H](C3CCCCC3)CN2C(=O)N1Cc1ccc([O-])c(Br)c1 ZINC000431860826 978556846 /nfs/dbraw/zinc/55/68/46/978556846.db2.gz RPAYEPZJNMAVMR-ZBFHGGJFSA-N -1 3 407.308 3.888 20 0 HHADHM O=C1CN(Cc2ccc(Cl)cc2)C(=O)N1Cc1ccc([O-])c(Br)c1 ZINC000431868342 978562302 /nfs/dbraw/zinc/56/23/02/978562302.db2.gz MZSSQWPZIOZDEK-UHFFFAOYSA-N -1 3 409.667 3.773 20 0 HHADHM CO[C@@H]1CCC[C@@H](C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)C1 ZINC000432053567 978662345 /nfs/dbraw/zinc/66/23/45/978662345.db2.gz GMLXJIHNEPXNPN-VQIMIIECSA-N -1 3 402.516 3.940 20 0 HHADHM CN(C)S(=O)(=O)c1ccsc1C(=O)[N-]c1ncc(-c2ccc(F)cc2)s1 ZINC000432234039 978724512 /nfs/dbraw/zinc/72/45/12/978724512.db2.gz WUAJMTSFNNRLMB-UHFFFAOYSA-N -1 3 411.505 3.513 20 0 HHADHM O=S(=O)([N-]C1(Cc2ccc(F)cc2)CCOCC1)c1ccc(Cl)cc1F ZINC000432294105 978748935 /nfs/dbraw/zinc/74/89/35/978748935.db2.gz PJOGTQCNUURUMU-UHFFFAOYSA-N -1 3 401.862 3.688 20 0 HHADHM CN(C)[C@@H]1CCOc2c([N-]S(=O)(=O)c3ccc4c(c3)CC(C)(C)O4)cccc21 ZINC000432493750 978847043 /nfs/dbraw/zinc/84/70/43/978847043.db2.gz MKFVNKACPOMQCP-GOSISDBHSA-N -1 3 402.516 3.586 20 0 HHADHM Cc1nn(C)c2sc(C(=O)[N-]c3nnc([C@H]4CCCc5ccccc54)s3)cc12 ZINC000432609245 978910400 /nfs/dbraw/zinc/91/04/00/978910400.db2.gz GMTSZSYNKSXDQH-AWEZNQCLSA-N -1 3 409.540 4.515 20 0 HHADHM COC(=O)c1cnc(SCC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)[n-]1 ZINC000432667092 978929706 /nfs/dbraw/zinc/92/97/06/978929706.db2.gz FUIKNJXKYRCLPB-CQSZACIVSA-N -1 3 414.314 3.959 20 0 HHADHM COC(=O)c1cnc(SCC(=O)N(C)[C@H](c2ccccc2)c2ccc(F)cc2)[n-]1 ZINC000432672469 978931640 /nfs/dbraw/zinc/93/16/40/978931640.db2.gz TYKXIZUBUPBQJS-LJQANCHMSA-N -1 3 413.474 3.676 20 0 HHADHM CN(C)c1ccc(S(=O)(=O)[N-]c2cccc(-c3noc(C(F)(F)F)n3)c2)cc1 ZINC000432761058 978963253 /nfs/dbraw/zinc/96/32/53/978963253.db2.gz QOTIAZKUOLNOTK-UHFFFAOYSA-N -1 3 412.393 3.622 20 0 HHADHM COc1cc([N-]S(=O)(=O)c2cc(C(C)C)c(OC)cc2C)ccc1NC(C)=O ZINC000432762564 978964120 /nfs/dbraw/zinc/96/41/20/978964120.db2.gz HUOSSJWRLDKZAL-UHFFFAOYSA-N -1 3 406.504 3.895 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)CCN3C(C)=O)cc1C(C)C ZINC000432765749 978966158 /nfs/dbraw/zinc/96/61/58/978966158.db2.gz DAKDMLVQPZHEKT-UHFFFAOYSA-N -1 3 402.516 3.837 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(-n3cnnc3C)c2)cc1C(C)C ZINC000432769830 978968239 /nfs/dbraw/zinc/96/82/39/978968239.db2.gz PWLLIQWFDOKYLM-UHFFFAOYSA-N -1 3 400.504 3.817 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C3=NNC(=O)CC3)cc2)cc1C(C)C ZINC000432770475 978968780 /nfs/dbraw/zinc/96/87/80/978968780.db2.gz SRUZZYKNMLHCNI-UHFFFAOYSA-N -1 3 415.515 3.542 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)Nc3cccc([C@H](C)OC)c3)c2)[n-]1 ZINC000433216732 979150704 /nfs/dbraw/zinc/15/07/04/979150704.db2.gz BTDBBFDLJUAPFK-AWEZNQCLSA-N -1 3 423.473 3.678 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)Nc3cccc([C@H](C)OC)c3)c2)n[n-]1 ZINC000433216732 979150709 /nfs/dbraw/zinc/15/07/09/979150709.db2.gz BTDBBFDLJUAPFK-AWEZNQCLSA-N -1 3 423.473 3.678 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)Nc3ccc4scnc4c3)c2)[n-]1 ZINC000433232633 979165622 /nfs/dbraw/zinc/16/56/22/979165622.db2.gz MQAJPOVKTFMIGD-UHFFFAOYSA-N -1 3 422.470 3.580 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)Nc3ccc4scnc4c3)c2)n[n-]1 ZINC000433232633 979165628 /nfs/dbraw/zinc/16/56/28/979165628.db2.gz MQAJPOVKTFMIGD-UHFFFAOYSA-N -1 3 422.470 3.580 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3cncn3Cc3ccccc3)c2)n1 ZINC000433307350 979226972 /nfs/dbraw/zinc/22/69/72/979226972.db2.gz UNUSAQDRWAYOKE-UHFFFAOYSA-N -1 3 413.481 3.838 20 0 HHADHM O=S(=O)(Cc1cccc(C(F)(F)F)c1)[N-]Cc1noc(-c2ccccc2F)n1 ZINC000433446528 979311291 /nfs/dbraw/zinc/31/12/91/979311291.db2.gz HDZRQIGRJJOPFZ-UHFFFAOYSA-N -1 3 415.368 3.514 20 0 HHADHM Cc1ccc2[nH]c(C[N-]S(=O)(=O)c3cc(Br)sc3Cl)nc2c1 ZINC000433663097 979463931 /nfs/dbraw/zinc/46/39/31/979463931.db2.gz HCBPJVJSBFSDDA-UHFFFAOYSA-N -1 3 420.741 3.827 20 0 HHADHM Cc1ccc2nc(C[N-]S(=O)(=O)c3cc(Br)sc3Cl)[nH]c2c1 ZINC000433663097 979463935 /nfs/dbraw/zinc/46/39/35/979463935.db2.gz HCBPJVJSBFSDDA-UHFFFAOYSA-N -1 3 420.741 3.827 20 0 HHADHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2nc(C(C)(C)C)no2)sc1Br ZINC000433675629 979475318 /nfs/dbraw/zinc/47/53/18/979475318.db2.gz DCSLTZJVLMRPKD-MRVPVSSYSA-N -1 3 408.343 3.539 20 0 HHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)Cc1cc(Cl)ccc1Br ZINC000433861123 979631933 /nfs/dbraw/zinc/63/19/33/979631933.db2.gz YDZDYKWNPFIBSF-UHFFFAOYSA-N -1 3 417.712 3.655 20 0 HHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)C2CCC(=O)CC2)cc1 ZINC000433867430 979636458 /nfs/dbraw/zinc/63/64/58/979636458.db2.gz BZIVNSDXAWUWLD-UHFFFAOYSA-N -1 3 400.500 3.802 20 0 HHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)Cc3cc(Br)ccc3F)cc2)n1 ZINC000434014830 979759106 /nfs/dbraw/zinc/75/91/06/979759106.db2.gz YIDJNFYKTQVOQY-UHFFFAOYSA-N -1 3 416.250 3.828 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(OCc3cccc(C)c3)c2)c(C)o1 ZINC000434069383 979810567 /nfs/dbraw/zinc/81/05/67/979810567.db2.gz ATMVZJWSOXBRIO-UHFFFAOYSA-N -1 3 414.483 3.636 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC(c3cccc4ccccc43)CC2)c(C)o1 ZINC000434095484 979844386 /nfs/dbraw/zinc/84/43/86/979844386.db2.gz IVWUZJHFKBWYCW-UHFFFAOYSA-N -1 3 412.511 3.669 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)c(C)o1 ZINC000434206641 979974067 /nfs/dbraw/zinc/97/40/67/979974067.db2.gz PUQBOJIJEVEYHW-GOSISDBHSA-N -1 3 404.532 3.771 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](Cc2ccccc2)c2sccc2C)c(C)o1 ZINC000434268273 980029479 /nfs/dbraw/zinc/02/94/79/980029479.db2.gz IAZXACFIJJIFIU-QGZVFWFLSA-N -1 3 418.540 3.580 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(COc3ccccc3)c2C)c(C)o1 ZINC000434321436 980084982 /nfs/dbraw/zinc/08/49/82/980084982.db2.gz NSJZTGHNOWUCES-UHFFFAOYSA-N -1 3 414.483 3.636 20 0 HHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N(C)Cc1cc(Cl)ccc1F ZINC000434339947 980102655 /nfs/dbraw/zinc/10/26/55/980102655.db2.gz COBGHHTWJLEOMO-UHFFFAOYSA-N -1 3 414.868 3.936 20 0 HHADHM O=C(Cc1cc(Br)ccc1F)NCc1ccc([O-])c(Br)c1 ZINC000434358509 980113806 /nfs/dbraw/zinc/11/38/06/980113806.db2.gz HEFIUZCTBWNMMG-UHFFFAOYSA-N -1 3 417.072 3.915 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NCC2(Cc3ccccc3)CC2)cc1OC ZINC000435147171 980678448 /nfs/dbraw/zinc/67/84/48/980678448.db2.gz UHZUNMQKWCXEND-UHFFFAOYSA-N -1 3 417.531 3.601 20 0 HHADHM O=S(=O)([N-][C@H]1CCCOc2ccc(F)cc21)c1cc(F)ccc1Br ZINC000435208417 980723014 /nfs/dbraw/zinc/72/30/14/980723014.db2.gz RLVWDJPMJYWZSL-AWEZNQCLSA-N -1 3 418.259 3.920 20 0 HHADHM Cc1sc(C[N-]S(=O)(=O)c2cc(F)ccc2Br)nc1C(C)C ZINC000435213472 980726155 /nfs/dbraw/zinc/72/61/55/980726155.db2.gz NYROVMPZUDQWMN-UHFFFAOYSA-N -1 3 407.330 3.955 20 0 HHADHM O=S(=O)([N-]CCCc1ccccn1)c1ccc(Br)cc1C(F)(F)F ZINC000435221577 980731050 /nfs/dbraw/zinc/73/10/50/980731050.db2.gz CIVLBWKDTVFQAS-UHFFFAOYSA-N -1 3 423.254 3.774 20 0 HHADHM C[C@H](COc1ccc(F)cc1F)[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000435229421 980736199 /nfs/dbraw/zinc/73/61/99/980736199.db2.gz HPDSIECQHZLTEY-SECBINFHSA-N -1 3 424.238 3.612 20 0 HHADHM CS[C@H]1CCCCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)C1 ZINC000435379076 980827651 /nfs/dbraw/zinc/82/76/51/980827651.db2.gz ATYHNFNJAMYMJX-INIZCTEOSA-N -1 3 422.547 3.984 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000435426688 980857463 /nfs/dbraw/zinc/85/74/63/980857463.db2.gz JPLALIJKUBQXMG-IINYFYTJSA-N -1 3 418.273 3.754 20 0 HHADHM CC(=O)Nc1ccc([O-])c(C(=O)N(Cc2cnn(C)c2)Cc2ccc(Cl)cc2)c1 ZINC000435992158 981138584 /nfs/dbraw/zinc/13/85/84/981138584.db2.gz RZAUITVYTRDYDF-UHFFFAOYSA-N -1 3 412.877 3.580 20 0 HHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1)c1nc(C2CCCCC2)no1 ZINC000436178484 981237300 /nfs/dbraw/zinc/23/73/00/981237300.db2.gz VGJFLHVNNLIORL-LLVKDONJSA-N -1 3 414.325 3.919 20 0 HHADHM O=S(=O)([N-]c1cc2c(cc1Cl)OCCCO2)c1cnc2ccc(F)cc2c1 ZINC000436474929 981393342 /nfs/dbraw/zinc/39/33/42/981393342.db2.gz AHWBUMCVFSAQCJ-UHFFFAOYSA-N -1 3 408.838 3.989 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc[nH]n3)cc2F)cc1C(F)(F)F ZINC000436479863 981394401 /nfs/dbraw/zinc/39/44/01/981394401.db2.gz VTAQYFKEGFCWLZ-UHFFFAOYSA-N -1 3 400.357 3.739 20 0 HHADHM O=C(Nc1ccc2c(c1)Cc1ccccc1-2)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436490054 981398552 /nfs/dbraw/zinc/39/85/52/981398552.db2.gz XKPAYAHDWDCPPN-UHFFFAOYSA-N -1 3 413.477 3.953 20 0 HHADHM O=C(c1ccccc1[O-])N1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000436493842 981399883 /nfs/dbraw/zinc/39/98/83/981399883.db2.gz UXYIRQMYXDYYIS-SJORKVTESA-N -1 3 419.308 3.787 20 0 HHADHM Cc1cccc(C2(CNC(=O)N3CCN(C(=O)c4ccc([O-])cc4)CC3)CCCC2)c1 ZINC000436520024 981414414 /nfs/dbraw/zinc/41/44/14/981414414.db2.gz BXDPOWCDZCZCRI-UHFFFAOYSA-N -1 3 421.541 3.680 20 0 HHADHM CCc1cc(O)ccc1NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000436522556 981415996 /nfs/dbraw/zinc/41/59/96/981415996.db2.gz MIXLEWWUDACDDT-UHFFFAOYSA-N -1 3 411.483 3.859 20 0 HHADHM O=C(c1cc(Br)ccc1[O-])N1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000436523339 981416021 /nfs/dbraw/zinc/41/60/21/981416021.db2.gz ALAWGXOCSQSMFV-OAHLLOKOSA-N -1 3 413.275 3.917 20 0 HHADHM CC[C@@H](NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C1CCOCC1 ZINC000436524853 981417645 /nfs/dbraw/zinc/41/76/45/981417645.db2.gz CELJRSSRHRQEBI-FGZHOGPDSA-N -1 3 410.514 3.575 20 0 HHADHM Cc1nc(C)c(CNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)s1 ZINC000436527047 981420053 /nfs/dbraw/zinc/42/00/53/981420053.db2.gz KUIXIOGYKCEPOX-IBGZPJMESA-N -1 3 409.511 3.643 20 0 HHADHM Cc1noc(C)c1CN1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000436528867 981421913 /nfs/dbraw/zinc/42/19/13/981421913.db2.gz PUKMKILNIVVDFP-UHFFFAOYSA-N -1 3 407.470 3.747 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@@H](CCO)C1CCCCC1 ZINC000436533287 981425322 /nfs/dbraw/zinc/42/53/22/981425322.db2.gz IMLPCCPYBWUCFW-GOTSBHOMSA-N -1 3 424.541 3.701 20 0 HHADHM CCCCN(C(=O)c1cc(Oc2ccccc2)ccc1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000436551642 981437416 /nfs/dbraw/zinc/43/74/16/981437416.db2.gz QHKIGAPXEZNVCF-INIZCTEOSA-N -1 3 403.500 3.614 20 0 HHADHM CCOC(=O)CCN(Cc1cccnc1)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436552298 981438009 /nfs/dbraw/zinc/43/80/09/981438009.db2.gz VMSUQIISOPZQFH-UHFFFAOYSA-N -1 3 418.493 3.974 20 0 HHADHM CCN(Cc1ccccn1)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436554985 981440378 /nfs/dbraw/zinc/44/03/78/981440378.db2.gz HJCGLDLALMYSLF-JOCHJYFZSA-N -1 3 403.482 3.697 20 0 HHADHM O=C(c1cc2c(cc1[O-])OCO2)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000436556805 981441921 /nfs/dbraw/zinc/44/19/21/981441921.db2.gz MCXQCTKJZWEKAL-QGZVFWFLSA-N -1 3 414.216 3.781 20 0 HHADHM CCc1noc(CC)c1CNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436557299 981442360 /nfs/dbraw/zinc/44/23/60/981442360.db2.gz QVHJUACVRNROSW-NRFANRHFSA-N -1 3 421.497 3.683 20 0 HHADHM COc1ccc(Cl)cc1C[C@H]1CCCN(C(=O)c2cc3c(cc2[O-])OCO3)C1 ZINC000436560700 981444849 /nfs/dbraw/zinc/44/48/49/981444849.db2.gz GUVVXQJBPHRCSX-CYBMUJFWSA-N -1 3 403.862 3.878 20 0 HHADHM CC(C)[C@@H]1C[C@H](NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCO1 ZINC000436560995 981445329 /nfs/dbraw/zinc/44/53/29/981445329.db2.gz ALSSSTXEZPISOX-HJNYFJLDSA-N -1 3 410.514 3.573 20 0 HHADHM COc1ccc(CCNC(=O)c2cc(Cc3ccccc3)ccc2[O-])c(OC)c1OC ZINC000436562353 981446368 /nfs/dbraw/zinc/44/63/68/981446368.db2.gz FDRSNQFZJVNQPJ-UHFFFAOYSA-N -1 3 421.493 3.981 20 0 HHADHM O=C(Nc1cccc(OCc2cn3ccccc3n2)c1)c1cc2c(cc1[O-])OCO2 ZINC000436563440 981447078 /nfs/dbraw/zinc/44/70/78/981447078.db2.gz NAHNSGCRDYFNBT-UHFFFAOYSA-N -1 3 403.394 3.600 20 0 HHADHM C[C@H](NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1cccc(C(F)(F)F)c1 ZINC000436565157 981447635 /nfs/dbraw/zinc/44/76/35/981447635.db2.gz SHTCLKPIMRQGCP-AWEZNQCLSA-N -1 3 421.419 3.640 20 0 HHADHM Cc1ccc(C(=O)N2CCN([C@H](C)c3ccc(Br)cc3)CC2)c([O-])c1 ZINC000436565421 981447894 /nfs/dbraw/zinc/44/78/94/981447894.db2.gz JLWCGURCRPDKQQ-OAHLLOKOSA-N -1 3 403.320 3.982 20 0 HHADHM CC[C@@H](Oc1ccccc1Cl)C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436567770 981449084 /nfs/dbraw/zinc/44/90/84/981449084.db2.gz UOKXFRPGKFTLBJ-LJQANCHMSA-N -1 3 416.905 3.624 20 0 HHADHM C[C@H](NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1cccc2ccccc21 ZINC000436569382 981450128 /nfs/dbraw/zinc/45/01/28/981450128.db2.gz DCCZWMXHETVBET-KRWDZBQOSA-N -1 3 403.482 3.774 20 0 HHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCS(=O)(=O)c2ccccc2C1 ZINC000436568236 981450435 /nfs/dbraw/zinc/45/04/35/981450435.db2.gz WHBRYCFPGLDZCV-UHFFFAOYSA-N -1 3 409.463 3.614 20 0 HHADHM CCc1ccc([C@@H](NC(=O)c2ccccc2[O-])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000436573245 981452428 /nfs/dbraw/zinc/45/24/28/981452428.db2.gz HYKAAGRIAMTHSG-JOCHJYFZSA-N -1 3 409.507 3.878 20 0 HHADHM Cc1ccc([C@H](NC(=O)c2ccc(C)cc2[O-])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000436574760 981454272 /nfs/dbraw/zinc/45/42/72/981454272.db2.gz MJQPTKGOPWAFAS-QFIPXVFZSA-N -1 3 409.507 3.932 20 0 HHADHM O=C(Nc1cccc(N2CCNC2=O)c1)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436576085 981454905 /nfs/dbraw/zinc/45/49/05/981454905.db2.gz KJGBKDNORHASLT-UHFFFAOYSA-N -1 3 401.466 3.959 20 0 HHADHM Cn1cc([C@@H]2CSCCN2C(=O)c2cc(CCc3ccccc3)ccc2[O-])cn1 ZINC000436577583 981455638 /nfs/dbraw/zinc/45/56/38/981455638.db2.gz VEWHXXBFBHEOBD-NRFANRHFSA-N -1 3 407.539 3.841 20 0 HHADHM CS(=O)(=O)C[C@H](NC(=O)c1cc(Oc2ccccc2)ccc1[O-])c1ccccc1 ZINC000436578932 981457217 /nfs/dbraw/zinc/45/72/17/981457217.db2.gz SWYQJJLKUIATIY-FQEVSTJZSA-N -1 3 411.479 3.700 20 0 HHADHM CN(C(=O)c1ccc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)cc1)C1CCOCC1 ZINC000436580829 981458204 /nfs/dbraw/zinc/45/82/04/981458204.db2.gz XQVCDGMARFOLPU-UHFFFAOYSA-N -1 3 424.497 3.609 20 0 HHADHM CCO[C@H](C)c1noc(CN(C)C(=O)c2cc(CCc3ccccc3)ccc2[O-])n1 ZINC000436589656 981462656 /nfs/dbraw/zinc/46/26/56/981462656.db2.gz KVZUULDFQWRRIY-MRXNPFEDSA-N -1 3 409.486 3.930 20 0 HHADHM COc1cc(CNC(=O)c2cc(Cc3ccccc3)ccc2[O-])cc(OC)c1OC ZINC000436596029 981465788 /nfs/dbraw/zinc/46/57/88/981465788.db2.gz ORTJFHSRIORIQP-UHFFFAOYSA-N -1 3 407.466 3.939 20 0 HHADHM Cc1cc(C)c(C[C@@H](C(=O)NCCNC(=O)c2ccc([O-])cc2)C(F)(F)F)c(C)c1 ZINC000436594949 981465801 /nfs/dbraw/zinc/46/58/01/981465801.db2.gz JPIIQZVAGKHKDN-IBGZPJMESA-N -1 3 422.447 3.585 20 0 HHADHM C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])c1ccc(OC(F)(F)F)cc1 ZINC000436596887 981466233 /nfs/dbraw/zinc/46/62/33/981466233.db2.gz SELRCPCYIXDLFY-SUMWQHHRSA-N -1 3 422.403 3.773 20 0 HHADHM CC(C)OCc1nc([C@H](C)NC(=O)c2cc(CCc3ccccc3)ccc2[O-])no1 ZINC000436605054 981470266 /nfs/dbraw/zinc/47/02/66/981470266.db2.gz DVCWYUQSUVRFFS-INIZCTEOSA-N -1 3 409.486 3.976 20 0 HHADHM Cc1ccc(Nc2nc(CN3CCN(C(=O)c4ccccc4[O-])CC3)cs2)cc1 ZINC000436612931 981474781 /nfs/dbraw/zinc/47/47/81/981474781.db2.gz YXQUXNXGIKEUDZ-UHFFFAOYSA-N -1 3 408.527 3.859 20 0 HHADHM O=C(NCC1CC1)[C@@H]1CCCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC000436620316 981478416 /nfs/dbraw/zinc/47/84/16/981478416.db2.gz SLIJMFKBVYUQBU-OAQYLSRUSA-N -1 3 406.526 3.556 20 0 HHADHM CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cc2c(cc1[O-])OCO2 ZINC000436621394 981478989 /nfs/dbraw/zinc/47/89/89/981478989.db2.gz XWSGGLMFEALJEH-UHFFFAOYSA-N -1 3 415.833 3.875 20 0 HHADHM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436622460 981479509 /nfs/dbraw/zinc/47/95/09/981479509.db2.gz DELUXUDDOGHHGX-IEBWSBKVSA-N -1 3 400.906 3.788 20 0 HHADHM Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000436622168 981479557 /nfs/dbraw/zinc/47/95/57/981479557.db2.gz WYYBERQHYKSPCG-RRPUWOKSSA-N -1 3 422.525 3.589 20 0 HHADHM O=C(Nc1cccc(OCc2cscn2)c1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436622552 981479587 /nfs/dbraw/zinc/47/95/87/981479587.db2.gz DGQLQJXNZLOZBP-IBGZPJMESA-N -1 3 423.494 3.671 20 0 HHADHM O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436626138 981481379 /nfs/dbraw/zinc/48/13/79/981481379.db2.gz QELFLKJZQQBXDW-LJQANCHMSA-N -1 3 421.428 3.962 20 0 HHADHM CC(C)(C)[C@@H]1CCN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C[C@H]1O ZINC000436630760 981483623 /nfs/dbraw/zinc/48/36/23/981483623.db2.gz PGXOHCQRXPQIQH-BHIFYINESA-N -1 3 424.541 3.509 20 0 HHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N(C)[C@@H](C)c3ccccn3)cs2)c1 ZINC000436633137 981484270 /nfs/dbraw/zinc/48/42/70/981484270.db2.gz IXTGAVNWCJJUBY-AWEZNQCLSA-N -1 3 410.499 3.567 20 0 HHADHM Cc1c(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cnn1-c1cc(C)ccc1C ZINC000436634030 981484881 /nfs/dbraw/zinc/48/48/81/981484881.db2.gz JWMULSBOVLWCPY-HXUWFJFHSA-N -1 3 418.497 3.746 20 0 HHADHM CC(C)c1ccc(OCCC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436635252 981485756 /nfs/dbraw/zinc/48/57/56/981485756.db2.gz SGLNNXAYLADXJI-UHFFFAOYSA-N -1 3 410.514 3.706 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)Nc2cccc(C[S@](=O)C(C)(C)C)c2)c([O-])c1 ZINC000436636211 981486412 /nfs/dbraw/zinc/48/64/12/981486412.db2.gz XZZKURYMSDBJDR-LJAQVGFWSA-N -1 3 416.543 3.506 20 0 HHADHM O=C(NCC1CCC(c2ccccc2)CC1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436636848 981487102 /nfs/dbraw/zinc/48/71/02/981487102.db2.gz SKGZPMZTLPFHMP-UHFFFAOYSA-N -1 3 421.541 3.834 20 0 HHADHM CCC(CC)N(CCOC)C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000436639522 981488380 /nfs/dbraw/zinc/48/83/80/981488380.db2.gz PXBUZLHODVIJQQ-UHFFFAOYSA-N -1 3 419.547 3.616 20 0 HHADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1 ZINC000436652897 981493146 /nfs/dbraw/zinc/49/31/46/981493146.db2.gz BJPHLEGTZNHNKY-UHFFFAOYSA-N -1 3 402.450 3.783 20 0 HHADHM Cc1csc(-c2ccc(NC(=O)N3CCN(C(=O)c4ccccc4[O-])CC3)cc2)n1 ZINC000436655996 981494609 /nfs/dbraw/zinc/49/46/09/981494609.db2.gz FKGMFNUZJVWEHB-UHFFFAOYSA-N -1 3 422.510 3.814 20 0 HHADHM COc1ccc(CN(CC2CCC2)C(=O)c2cc(NC(C)=O)ccc2[O-])c(OC)c1 ZINC000436657449 981495248 /nfs/dbraw/zinc/49/52/48/981495248.db2.gz QIEFFGCGTLURFL-UHFFFAOYSA-N -1 3 412.486 3.810 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)N[C@H]2C[C@H]2c2ccccc2C(F)(F)F)c([O-])c1 ZINC000436664166 981499262 /nfs/dbraw/zinc/49/92/62/981499262.db2.gz HXXRTVSKDIZWBG-RDJZCZTQSA-N -1 3 406.404 3.512 20 0 HHADHM Cc1ccc(C(=O)Nc2cccc(CNC(=O)c3cc4c(cc3[O-])OCO4)c2)cc1 ZINC000436671957 981504126 /nfs/dbraw/zinc/50/41/26/981504126.db2.gz KMTPPBROZDGQDV-UHFFFAOYSA-N -1 3 404.422 3.612 20 0 HHADHM O=C(NCCNC(=O)[C@H](Sc1ccc(F)cc1)c1ccccc1)c1ccc([O-])cc1 ZINC000436682592 981510289 /nfs/dbraw/zinc/51/02/89/981510289.db2.gz WJKSLEISGGBUSP-OAQYLSRUSA-N -1 3 424.497 3.911 20 0 HHADHM Cc1ccc([C@H]2OCCC[C@H]2C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436682495 981510299 /nfs/dbraw/zinc/51/02/99/981510299.db2.gz QJADZGZLHIMMFI-FYYLOGMGSA-N -1 3 422.525 3.589 20 0 HHADHM COc1cc(-c2nc(Cc3ccc(F)c(Br)c3)no2)cc(OC)c1[O-] ZINC000436685871 981511845 /nfs/dbraw/zinc/51/18/45/981511845.db2.gz CGZOJOUTTQTSIK-UHFFFAOYSA-N -1 3 409.211 3.952 20 0 HHADHM COc1cc(-c2nc(-c3cccc(Cn4nc(C)cc4C)c3)no2)cc(OC)c1[O-] ZINC000436688212 981513176 /nfs/dbraw/zinc/51/31/76/981513176.db2.gz KWQHAHGNKQBOSE-UHFFFAOYSA-N -1 3 406.442 3.988 20 0 HHADHM Cc1ccc(C(=O)NCCc2nc(-c3ccc(C(F)(F)F)c(F)c3)no2)c([O-])c1 ZINC000436690313 981514448 /nfs/dbraw/zinc/51/44/48/981514448.db2.gz QEKDJSNQSDRVHJ-UHFFFAOYSA-N -1 3 409.339 3.881 20 0 HHADHM CN(CCCOc1cccc(Cl)c1)C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436691419 981515162 /nfs/dbraw/zinc/51/51/62/981515162.db2.gz YBAGLXZAZXSMGT-LJQANCHMSA-N -1 3 416.905 3.578 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)c([O-])c1 ZINC000436694831 981517323 /nfs/dbraw/zinc/51/73/23/981517323.db2.gz CVRAVDPYLIQXCS-MRXNPFEDSA-N -1 3 412.383 3.770 20 0 HHADHM COC(=O)C[C@@](C)(NC(=O)c1cc(Oc2ccccc2)ccc1[O-])c1ccccn1 ZINC000436701519 981520611 /nfs/dbraw/zinc/52/06/11/981520611.db2.gz AUYYIYJSOZHCIU-HSZRJFAPSA-N -1 3 406.438 3.788 20 0 HHADHM COC(=O)C[C@@](C)(NC(=O)c1cc(Cc2ccccc2)ccc1[O-])c1ccncc1 ZINC000436701070 981520717 /nfs/dbraw/zinc/52/07/17/981520717.db2.gz BLTLGFBEMPMBRV-XMMPIXPASA-N -1 3 404.466 3.586 20 0 HHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC2(CC1)CCS(=O)(=O)CC2 ZINC000436704573 981522205 /nfs/dbraw/zinc/52/22/05/981522205.db2.gz HGEMYCWVOGQJNX-UHFFFAOYSA-N -1 3 415.511 3.616 20 0 HHADHM Cc1cc(Br)cc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000436707216 981522856 /nfs/dbraw/zinc/52/28/56/981522856.db2.gz OMARRYCWKUQMAU-MRXNPFEDSA-N -1 3 403.276 3.706 20 0 HHADHM CC[C@H](NC(=O)CCNC(=O)c1ccc(C)cc1[O-])c1ccccc1OC(F)F ZINC000436707818 981523576 /nfs/dbraw/zinc/52/35/76/981523576.db2.gz HJVCHHLOIRJPMH-INIZCTEOSA-N -1 3 406.429 3.689 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCCCO[C@H](C)c2ccccc2)c1 ZINC000436728365 981534803 /nfs/dbraw/zinc/53/48/03/981534803.db2.gz KRVGKAPNHQOFRV-OAHLLOKOSA-N -1 3 423.469 3.839 20 0 HHADHM COc1ccc([C@H](C)NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])cc1F ZINC000436728792 981534839 /nfs/dbraw/zinc/53/48/39/981534839.db2.gz NLPNENQRNACHRD-NSHDSACASA-N -1 3 413.405 3.580 20 0 HHADHM CCC[C@H](CCc1ccccc1)NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436736527 981538275 /nfs/dbraw/zinc/53/82/75/981538275.db2.gz IWPMMBULKOCBIZ-OAQYLSRUSA-N -1 3 409.530 3.661 20 0 HHADHM O=C(Nc1cc(C(F)F)ccc1Cl)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436738673 981539635 /nfs/dbraw/zinc/53/96/35/981539635.db2.gz MKNSCJAAGAKJNR-UHFFFAOYSA-N -1 3 409.820 3.973 20 0 HHADHM O=C(Nc1ccc(OC(F)(F)F)cc1)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436740149 981540260 /nfs/dbraw/zinc/54/02/60/981540260.db2.gz PUEDQRIFOOYWCT-UHFFFAOYSA-N -1 3 423.391 3.717 20 0 HHADHM O=C(Nc1ccc(-c2ccco2)cc1F)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436743576 981541640 /nfs/dbraw/zinc/54/16/40/981541640.db2.gz YVAOBFUBTLRATD-UHFFFAOYSA-N -1 3 409.417 3.781 20 0 HHADHM CN(C)c1noc([C@H]2CCCN(C(=O)c3cc(Oc4ccccc4)ccc3[O-])C2)n1 ZINC000436744726 981542189 /nfs/dbraw/zinc/54/21/89/981542189.db2.gz PEOZQKVOZJEYDB-HNNXBMFYSA-N -1 3 408.458 3.653 20 0 HHADHM O=C(NCCNC(=O)C1(c2cccc(Cl)c2)CCCCC1)c1ccc([O-])cc1 ZINC000436748764 981543721 /nfs/dbraw/zinc/54/37/21/981543721.db2.gz VDFUJGXSPWAZPC-UHFFFAOYSA-N -1 3 400.906 3.794 20 0 HHADHM COc1cc(OC)cc([C@@H](NC(=O)c2ccc(C(C)C)cc2[O-])c2nccn2C)c1 ZINC000436753161 981545989 /nfs/dbraw/zinc/54/59/89/981545989.db2.gz CRPSQBVVQINGIV-OAQYLSRUSA-N -1 3 409.486 3.786 20 0 HHADHM Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)c1cc2c(cc1[O-])OCO2 ZINC000436753187 981546490 /nfs/dbraw/zinc/54/64/90/981546490.db2.gz CVIQLODPUWNJEG-UHFFFAOYSA-N -1 3 406.442 3.667 20 0 HHADHM CS(=O)(=O)Nc1cc(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])ccc1F ZINC000436756671 981547508 /nfs/dbraw/zinc/54/75/08/981547508.db2.gz SHHYJGGMGQHCBC-UHFFFAOYSA-N -1 3 416.430 3.947 20 0 HHADHM O=C(Nc1nccs1)[C@@H]1CCCN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436758216 981548680 /nfs/dbraw/zinc/54/86/80/981548680.db2.gz MJNJCEGOYDSFSY-SFHVURJKSA-N -1 3 407.495 3.683 20 0 HHADHM C[C@@H](CC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)Cc1ccc(Cl)cc1 ZINC000436764598 981551818 /nfs/dbraw/zinc/55/18/18/981551818.db2.gz MJZCDMWPWHZUAC-MRXNPFEDSA-N -1 3 400.906 3.599 20 0 HHADHM O=C(c1cc2c(s1)-c1ccccc1CC2)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436772281 981555448 /nfs/dbraw/zinc/55/54/48/981555448.db2.gz DOVKWMGFVCEODK-UHFFFAOYSA-N -1 3 418.518 3.818 20 0 HHADHM O=C(Nc1ccccc1C(F)(F)F)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436776483 981556490 /nfs/dbraw/zinc/55/64/90/981556490.db2.gz JIYIRAZIHAXFRM-UHFFFAOYSA-N -1 3 407.392 3.837 20 0 HHADHM CCN(Cc1cc(Br)ccc1F)C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000436781470 981558842 /nfs/dbraw/zinc/55/88/42/981558842.db2.gz JTJZQWXRNWYPRH-UHFFFAOYSA-N -1 3 409.255 3.915 20 0 HHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)Cc2ccc(F)c(Br)c2)c1 ZINC000436786638 981560478 /nfs/dbraw/zinc/56/04/78/981560478.db2.gz FAOIBWQUGOZIBJ-JTQLQIEISA-N -1 3 409.255 3.613 20 0 HHADHM CCN(CCOc1ccc(Br)cc1)C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000436788034 981561450 /nfs/dbraw/zinc/56/14/50/981561450.db2.gz ALPOKDCUYSVXKO-UHFFFAOYSA-N -1 3 421.291 3.654 20 0 HHADHM O=C(Nc1cccc(-c2cn(Cc3ccccc3)nn2)c1)c1cc2c(cc1[O-])OCO2 ZINC000436795227 981565568 /nfs/dbraw/zinc/56/55/68/981565568.db2.gz YJEVSKLNYMWPFR-UHFFFAOYSA-N -1 3 414.421 3.680 20 0 HHADHM COc1ccc(C(=O)N2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c([O-])c1 ZINC000436797102 981566248 /nfs/dbraw/zinc/56/62/48/981566248.db2.gz MFYNCYKVNMPWGG-IBGZPJMESA-N -1 3 400.862 3.642 20 0 HHADHM CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)c2cc(OC)c([O-])c(OC)c2)CC1 ZINC000436796251 981566435 /nfs/dbraw/zinc/56/64/35/981566435.db2.gz VJDARVLTIQTTQX-SFHVURJKSA-N -1 3 420.456 3.597 20 0 HHADHM CCc1ccc(C(=O)N2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)c([O-])c1 ZINC000436805423 981569814 /nfs/dbraw/zinc/56/98/14/981569814.db2.gz DSCDZPIANAXJQU-UHFFFAOYSA-N -1 3 407.297 3.860 20 0 HHADHM Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3cc(Br)ccc3[O-])c12 ZINC000436805630 981569899 /nfs/dbraw/zinc/56/98/99/981569899.db2.gz YLZWXKUMVFQUHT-UHFFFAOYSA-N -1 3 401.264 3.875 20 0 HHADHM CCS(=O)(=O)c1ccc(CNC(=O)c2cc(Cc3ccccc3)ccc2[O-])cc1 ZINC000436812754 981572927 /nfs/dbraw/zinc/57/29/27/981572927.db2.gz CDHCFADNXWRSFI-UHFFFAOYSA-N -1 3 409.507 3.707 20 0 HHADHM C[C@H](NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1cccc(Cl)c1Cl ZINC000436817070 981574461 /nfs/dbraw/zinc/57/44/61/981574461.db2.gz QNSYBRBHQBOSTJ-ZDUSSCGKSA-N -1 3 422.312 3.928 20 0 HHADHM O=C(Nc1ccc(Oc2ccccc2F)nc1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436818698 981575224 /nfs/dbraw/zinc/57/52/24/981575224.db2.gz BEBRYHRSLUSHPB-GOSISDBHSA-N -1 3 421.428 3.962 20 0 HHADHM CC(C)(CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])c1cccc(Cl)c1F ZINC000436823831 981577056 /nfs/dbraw/zinc/57/70/56/981577056.db2.gz DGMDEGIHGYZIJL-QGZVFWFLSA-N -1 3 418.896 3.883 20 0 HHADHM CC(C)[C@H](NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C(F)(F)F ZINC000436824676 981577847 /nfs/dbraw/zinc/57/78/47/981577847.db2.gz AGILICANLLEYBP-MJGOQNOKSA-N -1 3 408.420 3.957 20 0 HHADHM CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)c2ccc(CC)cc2[O-])C1 ZINC000436833762 981581455 /nfs/dbraw/zinc/58/14/55/981581455.db2.gz MMSSPGALKFAMIP-OAHLLOKOSA-N -1 3 400.441 3.608 20 0 HHADHM CCC1(CC)Oc2ccc(NC(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])cc2O1 ZINC000436841385 981585278 /nfs/dbraw/zinc/58/52/78/981585278.db2.gz ZGERVHNHXZNEFC-QGZVFWFLSA-N -1 3 410.470 3.923 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCCC[C@H]1c1cc[nH]n1 ZINC000436856871 981594168 /nfs/dbraw/zinc/59/41/68/981594168.db2.gz VKTOOUVPERVEHL-YADHBBJMSA-N -1 3 418.497 3.730 20 0 HHADHM C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])c1ccc(-c2ccncc2)cc1 ZINC000436868862 981597388 /nfs/dbraw/zinc/59/73/88/981597388.db2.gz KVMOWNIXTSWFOA-VGSWGCGISA-N -1 3 415.493 3.936 20 0 HHADHM C[C@H](NC(=O)c1cc(Oc2ccccc2)ccc1[O-])C(=O)N1Cc2ccccc2C1 ZINC000436895913 981604405 /nfs/dbraw/zinc/60/44/05/981604405.db2.gz WEQGZFVBQSCEQN-INIZCTEOSA-N -1 3 402.450 3.845 20 0 HHADHM COc1ccc(CN(C)C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cc1 ZINC000436900033 981606471 /nfs/dbraw/zinc/60/64/71/981606471.db2.gz AWKPKUQKCOAEGM-QHCPKHFHSA-N -1 3 418.493 3.921 20 0 HHADHM C[C@@H]1CCN(C)CCN1C(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1[O-] ZINC000436905013 981611029 /nfs/dbraw/zinc/61/10/29/981611029.db2.gz RRJSIWKECVAROR-GFCCVEGCSA-N -1 3 407.923 3.526 20 0 HHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1[nH]c2ccc(F)cc2c1Cl ZINC000436908757 981613758 /nfs/dbraw/zinc/61/37/58/981613758.db2.gz JTEKZKFRPPMCMX-UHFFFAOYSA-N -1 3 415.852 3.701 20 0 HHADHM COc1cccc(CCNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC000436908794 981613882 /nfs/dbraw/zinc/61/38/82/981613882.db2.gz KBEOGQADIRMTRF-QHCPKHFHSA-N -1 3 418.493 3.621 20 0 HHADHM CC(C)c1nnc(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)s1 ZINC000436909601 981615457 /nfs/dbraw/zinc/61/54/57/981615457.db2.gz AVMGDPNVRPKMEH-QGZVFWFLSA-N -1 3 410.499 3.867 20 0 HHADHM C[C@@H](c1cccnc1)N(C)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436910453 981616267 /nfs/dbraw/zinc/61/62/67/981616267.db2.gz OCKNRTCTONLSFP-JTSKRJEESA-N -1 3 403.482 3.868 20 0 HHADHM C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436913410 981619150 /nfs/dbraw/zinc/61/91/50/981619150.db2.gz GBFZURFAVHIZHJ-INIZCTEOSA-N -1 3 415.449 3.713 20 0 HHADHM COc1cccc(-c2nc(Cc3cc(Br)c4c(c3)OCCO4)no2)c1[O-] ZINC000436918323 981622936 /nfs/dbraw/zinc/62/29/36/981622936.db2.gz GBINZFONLMMYRE-UHFFFAOYSA-N -1 3 419.231 3.575 20 0 HHADHM COc1cc(Cc2noc(-c3ccc(C(C)C)cc3[O-])n2)ccc1S(C)(=O)=O ZINC000436929693 981630177 /nfs/dbraw/zinc/63/01/77/981630177.db2.gz DCJHRZIJLYOJSQ-UHFFFAOYSA-N -1 3 402.472 3.569 20 0 HHADHM CC(C)CCOc1ccc(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436944016 981636975 /nfs/dbraw/zinc/63/69/75/981636975.db2.gz INURNXJDCVZZOS-UHFFFAOYSA-N -1 3 410.514 3.852 20 0 HHADHM O=C(c1ccc([O-])cc1)N1CCN(c2ccc3ccc(Br)cc3n2)CC1 ZINC000436946545 981638476 /nfs/dbraw/zinc/63/84/76/981638476.db2.gz JMJWVKKFTHWNJD-UHFFFAOYSA-N -1 3 412.287 3.665 20 0 HHADHM C[C@@H](Sc1ccccc1Cl)C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436948576 981639326 /nfs/dbraw/zinc/63/93/26/981639326.db2.gz XANIBYWQGZMMOD-CQSZACIVSA-N -1 3 418.946 3.947 20 0 HHADHM O=C(CNC(=O)c1cc(Oc2ccccc2)ccc1[O-])Nc1ccc(F)c(F)c1F ZINC000436949674 981639973 /nfs/dbraw/zinc/63/99/73/981639973.db2.gz AJZPXHVACUNQJF-UHFFFAOYSA-N -1 3 416.355 3.970 20 0 HHADHM CCCOc1ccc(CNC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])cc1 ZINC000436949606 981640021 /nfs/dbraw/zinc/64/00/21/981640021.db2.gz LJSVMIKUVQRQRM-UHFFFAOYSA-N -1 3 409.442 3.660 20 0 HHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1occc1COc1ccccc1 ZINC000436949800 981640527 /nfs/dbraw/zinc/64/05/27/981640527.db2.gz ZMTBIMLJJGZYNO-UHFFFAOYSA-N -1 3 420.465 3.599 20 0 HHADHM COc1ccc(CCCN(C)C(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])cc1 ZINC000436951363 981641537 /nfs/dbraw/zinc/64/15/37/981641537.db2.gz PZEHUOGXDCNPLF-UHFFFAOYSA-N -1 3 423.469 3.654 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccccc2NC(=O)c2ccccc2)c([O-])c1 ZINC000436954168 981643536 /nfs/dbraw/zinc/64/35/36/981643536.db2.gz UVQMXGDAHUCORN-UHFFFAOYSA-N -1 3 417.465 3.712 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCc2cccc(OCC(C)C)c2)c1 ZINC000436953448 981643564 /nfs/dbraw/zinc/64/35/64/981643564.db2.gz PMVDBRRFDZTFFK-UHFFFAOYSA-N -1 3 423.469 3.906 20 0 HHADHM CCOc1ccc(Br)cc1NC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000436961704 981649446 /nfs/dbraw/zinc/64/94/46/981649446.db2.gz MTUTZWSACLBMTG-UHFFFAOYSA-N -1 3 421.291 3.620 20 0 HHADHM Cc1ccc(-c2cccnc2)cc1NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436963946 981651024 /nfs/dbraw/zinc/65/10/24/981651024.db2.gz KUWKDWOUALJVJP-UHFFFAOYSA-N -1 3 416.481 3.753 20 0 HHADHM CC[C@H](CNC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-])Oc1ccccc1C ZINC000436965855 981652795 /nfs/dbraw/zinc/65/27/95/981652795.db2.gz UMHTZPBSQVALFK-QGZVFWFLSA-N -1 3 423.469 3.837 20 0 HHADHM CCCCOc1ccc(C(=O)N2CCC[C@@H](c3nnc4n3CCCCC4)C2)c([O-])c1 ZINC000436970935 981656370 /nfs/dbraw/zinc/65/63/70/981656370.db2.gz HPOJCGJTLYLAQK-QGZVFWFLSA-N -1 3 412.534 3.909 20 0 HHADHM Cc1ccc(Br)cc1NC(=O)CNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436971614 981657092 /nfs/dbraw/zinc/65/70/92/981657092.db2.gz KYKANOKTKFPREF-UHFFFAOYSA-N -1 3 405.292 3.955 20 0 HHADHM CCCCOc1ccc(C(=O)N2CCCN(C(=O)c3cccc(F)c3)CC2)c([O-])c1 ZINC000436972752 981658533 /nfs/dbraw/zinc/65/85/33/981658533.db2.gz QMNXPDRTPMINMU-UHFFFAOYSA-N -1 3 414.477 3.699 20 0 HHADHM CS[C@@H](CNC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1)C(C)(C)C ZINC000436980806 981664423 /nfs/dbraw/zinc/66/44/23/981664423.db2.gz OPOGTQSSKAHOSQ-INIZCTEOSA-N -1 3 421.588 3.846 20 0 HHADHM CCCCOc1ccc(C(=O)N2CCC(NC(=O)NC3CCCCC3)CC2)c([O-])c1 ZINC000436981538 981665310 /nfs/dbraw/zinc/66/53/10/981665310.db2.gz VASVGLZWEPNUDB-UHFFFAOYSA-N -1 3 417.550 3.808 20 0 HHADHM CCc1ncsc1NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000436983016 981666656 /nfs/dbraw/zinc/66/66/56/981666656.db2.gz ZEKPAYSXOWSWPT-UHFFFAOYSA-N -1 3 402.501 3.610 20 0 HHADHM Cc1csc([C@@H](C)CNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)n1 ZINC000436985356 981667561 /nfs/dbraw/zinc/66/75/61/981667561.db2.gz OPHBXSBUJWOZCJ-MGPUTAFESA-N -1 3 423.538 3.938 20 0 HHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3Cc4ccccc4C[C@@H]3C)cs2)c1 ZINC000436987245 981669080 /nfs/dbraw/zinc/66/90/80/981669080.db2.gz IKQYFTSAJHOJSL-HNNXBMFYSA-N -1 3 421.522 3.925 20 0 HHADHM CCO[C@@H](CCNC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1)C(C)C ZINC000436987260 981669269 /nfs/dbraw/zinc/66/92/69/981669269.db2.gz IPOHIVDWINVAQF-SFHVURJKSA-N -1 3 419.547 3.519 20 0 HHADHM Cc1cnc([C@@H](C)CNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)s1 ZINC000436987639 981670059 /nfs/dbraw/zinc/67/00/59/981670059.db2.gz IQXSBKWQFVNYRE-MGPUTAFESA-N 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ZINC000460962776 982693669 /nfs/dbraw/zinc/69/36/69/982693669.db2.gz YDLJCZVFYSBZQN-UHFFFAOYSA-N -1 3 415.540 3.745 20 0 HHADHM COC(=O)c1cccc2[n-]c(NC(=O)C3(c4ccc(Br)cc4)CC3)nc21 ZINC000438355987 982742625 /nfs/dbraw/zinc/74/26/25/982742625.db2.gz OLZYEJJUNURTEU-UHFFFAOYSA-N -1 3 414.259 3.782 20 0 HHADHM COc1cc(Oc2ccccc2)ccc1NC(=O)C(=O)NCc1ccc([O-])c(F)c1 ZINC000438390376 982761073 /nfs/dbraw/zinc/76/10/73/982761073.db2.gz CZYUIJMLLNKJMJ-UHFFFAOYSA-N -1 3 410.401 3.587 20 0 HHADHM Cc1cccc(C)c1NCC(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000461105930 982796445 /nfs/dbraw/zinc/79/64/45/982796445.db2.gz DODNHHFLNOGMKL-UHFFFAOYSA-N -1 3 415.437 3.744 20 0 HHADHM C[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O)c1cccc(F)c1 ZINC000461105933 982796514 /nfs/dbraw/zinc/79/65/14/982796514.db2.gz DOUOXVVPTWBAKZ-JTQLQIEISA-N -1 3 404.385 3.958 20 0 HHADHM O=S(=O)([N-]c1cc(-n2cnnn2)ccc1Cl)c1c(Cl)ccc2ccccc21 ZINC000461119421 982814021 /nfs/dbraw/zinc/81/40/21/982814021.db2.gz 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983173664 /nfs/dbraw/zinc/17/36/64/983173664.db2.gz STDZTEGDGCWTPL-SFHVURJKSA-N -1 3 419.547 3.551 20 0 HHADHM O=C(Nc1cc(CCc2ccccc2)ccn1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000439061683 983232641 /nfs/dbraw/zinc/23/26/41/983232641.db2.gz URMRENNADBVGOQ-OAQYLSRUSA-N -1 3 415.493 3.816 20 0 HHADHM CN1CCN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c2ccccc21 ZINC000439061787 983233304 /nfs/dbraw/zinc/23/33/04/983233304.db2.gz VTEBIBSVGGYCTO-OAQYLSRUSA-N -1 3 415.493 3.736 20 0 HHADHM Cn1c2cc([O-])c(NC(=O)CCCc3cccc(C(F)(F)F)c3)cc2n(C)c1=O ZINC000461615912 983241065 /nfs/dbraw/zinc/24/10/65/983241065.db2.gz VMOXZIMTXPGPFR-UHFFFAOYSA-N -1 3 407.392 3.563 20 0 HHADHM CCCCOc1ccc(C(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)c(Cl)c1 ZINC000461629539 983250536 /nfs/dbraw/zinc/25/05/36/983250536.db2.gz GRVPAPFOSXVAEK-UHFFFAOYSA-N -1 3 403.866 3.667 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)C(C)(C)C(C)C)c2)cc1 ZINC000439120814 983260151 /nfs/dbraw/zinc/26/01/51/983260151.db2.gz VYIKKZWVNLLYLU-UHFFFAOYSA-N -1 3 404.532 3.794 20 0 HHADHM Cc1csc([C@H]([N-]S(=O)(=O)c2ccc(F)c(Br)c2)C2CC2)n1 ZINC000439230965 983321062 /nfs/dbraw/zinc/32/10/62/983321062.db2.gz CJCSBCNDGYBTFC-CYBMUJFWSA-N -1 3 405.314 3.783 20 0 HHADHM CSCCCN(C)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000439544376 983443419 /nfs/dbraw/zinc/44/34/19/983443419.db2.gz CMPHGMNPSXFTFT-UHFFFAOYSA-N -1 3 403.729 3.769 20 0 HHADHM CCCCCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)N(C)C)c2)cc1 ZINC000439571094 983455156 /nfs/dbraw/zinc/45/51/56/983455156.db2.gz NXANOWFLTSTYQO-UHFFFAOYSA-N -1 3 408.495 3.897 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N([C@@H](C)[C@@H](C)CC)C3CC3)c2)n1 ZINC000439579100 983459235 /nfs/dbraw/zinc/45/92/35/983459235.db2.gz YSMBAQPMGGLVED-GJZGRUSLSA-N -1 3 410.518 3.776 20 0 HHADHM O=C([N-]Cc1c(F)cc(F)c(F)c1F)C(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000440014230 983614185 /nfs/dbraw/zinc/61/41/85/983614185.db2.gz QIVHCCGYNXMNRB-UHFFFAOYSA-N -1 3 413.129 3.944 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]C2CCN(c3nc4ccccc4s3)CC2)c(F)cc1F ZINC000440396603 983743903 /nfs/dbraw/zinc/74/39/03/983743903.db2.gz FXIDWFYYOWQDRO-UHFFFAOYSA-N -1 3 423.510 3.830 20 0 HHADHM O=C(NCCCC(F)(F)F)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000440544685 983790914 /nfs/dbraw/zinc/79/09/14/983790914.db2.gz SCCIWFYQNKLMKA-UHFFFAOYSA-N -1 3 404.385 3.699 20 0 HHADHM CC(C)CS(=O)(=O)CC(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000440939723 983990613 /nfs/dbraw/zinc/99/06/13/983990613.db2.gz DPDLJUGTFBMFTJ-UHFFFAOYSA-N -1 3 404.513 3.678 20 0 HHADHM CCOC(=O)[C@H]1CN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)Cc2ccccc21 ZINC000441096024 984066469 /nfs/dbraw/zinc/06/64/69/984066469.db2.gz AJOHWAJLYIDGPY-KRWDZBQOSA-N -1 3 403.438 3.744 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N3CCCC[C@H]3[C@@H](C)CC)c2)n1 ZINC000441105084 984070320 /nfs/dbraw/zinc/07/03/20/984070320.db2.gz PVQLUGXDUCBGBS-KXBFYZLASA-N -1 3 410.518 3.777 20 0 HHADHM CC(C)c1cccc([N-]S(=O)(=O)c2ccc(NS(=O)(=O)C(C)C)c(F)c2)c1 ZINC000441362237 984209116 /nfs/dbraw/zinc/20/91/16/984209116.db2.gz HEKLXELTCLERDU-UHFFFAOYSA-N -1 3 414.524 3.900 20 0 HHADHM CC(C)c1ccc([N-]S(=O)(=O)c2ccc(NS(=O)(=O)C(C)C)c(F)c2)cc1 ZINC000441378010 984219233 /nfs/dbraw/zinc/21/92/33/984219233.db2.gz CMSJTWVOCKEZBL-UHFFFAOYSA-N -1 3 414.524 3.900 20 0 HHADHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCC[C@@H]2C(F)(F)F)cc1Cl ZINC000441988247 984581271 /nfs/dbraw/zinc/58/12/71/984581271.db2.gz DRKXMBGOBANKMO-GWCFXTLKSA-N -1 3 413.845 3.774 20 0 HHADHM Cn1c2cc([O-])c(NC(=O)c3cccc(COc4cccc(F)c4)c3)cc2n(C)c1=O ZINC000461630706 984651495 /nfs/dbraw/zinc/65/14/95/984651495.db2.gz ZIQXWIKARHCJOH-UHFFFAOYSA-N -1 3 421.428 3.553 20 0 HHADHM Cn1c2cc([O-])c(NC(=O)[C@H]3C[C@H]3c3cc(Cl)cc(Cl)c3)cc2n(C)c1=O ZINC000461631589 984652355 /nfs/dbraw/zinc/65/23/55/984652355.db2.gz MIXJTGFTCPXUJO-STQMWFEESA-N -1 3 406.269 3.632 20 0 HHADHM Cn1c2cc([O-])c(NC(=O)c3ccccc3CCc3ccccc3)cc2n(C)c1=O ZINC000461634888 984655282 /nfs/dbraw/zinc/65/52/82/984655282.db2.gz YXEASMCINXNKHW-UHFFFAOYSA-N -1 3 401.466 3.620 20 0 HHADHM COC(=O)c1nccc2c1cccc2S(=O)(=O)[N-]c1cc(Cl)cc(F)c1F ZINC000442229751 984749014 /nfs/dbraw/zinc/74/90/14/984749014.db2.gz NMJJQKAZXCTIAK-UHFFFAOYSA-N -1 3 412.801 3.754 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cnn4c3CCCC4)cc2)cc1 ZINC000442331635 984835838 /nfs/dbraw/zinc/83/58/38/984835838.db2.gz WALZZEHZTIZXQJ-UHFFFAOYSA-N -1 3 410.499 3.581 20 0 HHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)c1ccc2c(n1)CCCC2 ZINC000442476293 984978693 /nfs/dbraw/zinc/97/86/93/984978693.db2.gz IIFFZWXSJNOZSQ-UHFFFAOYSA-N -1 3 413.421 3.603 20 0 HHADHM O=S(=O)([N-]C[C@H]1CCN(c2ccccc2F)C1)c1ccc(F)cc1C(F)(F)F ZINC000462124912 985094592 /nfs/dbraw/zinc/09/45/92/985094592.db2.gz XQDUCRKVEYQAFA-GFCCVEGCSA-N -1 3 420.403 3.788 20 0 HHADHM COCCOCc1ccc(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1 ZINC000462131382 985103275 /nfs/dbraw/zinc/10/32/75/985103275.db2.gz NCXJFMHRXGZQQO-UHFFFAOYSA-N -1 3 410.344 3.696 20 0 HHADHM CCC[C@@]1(C)CCCN(C(=O)C(=O)Nc2cccc(-c3nc(CC)cc(=O)[n-]3)c2)C1 ZINC000442635514 985112350 /nfs/dbraw/zinc/11/23/50/985112350.db2.gz FQYYPPSHICNECC-QHCPKHFHSA-N -1 3 410.518 3.779 20 0 HHADHM O=S(=O)([N-]CCc1c[nH]c2ccc(Cl)cc12)c1cnccc1C(F)(F)F ZINC000442743064 985199054 /nfs/dbraw/zinc/19/90/54/985199054.db2.gz JWBDGCHCSHRJMO-UHFFFAOYSA-N -1 3 403.813 3.756 20 0 HHADHM O=S(=O)([N-][C@H]1CCOc2c(F)cccc21)c1ccc(Br)cc1F ZINC000442793909 985218421 /nfs/dbraw/zinc/21/84/21/985218421.db2.gz QXHRZNWBHQMYJV-ZDUSSCGKSA-N -1 3 404.232 3.529 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C[C@@H](C)Oc1ccc(F)cc1 ZINC000442817567 985226086 /nfs/dbraw/zinc/22/60/86/985226086.db2.gz MJYWIGDQJMHZGX-GFCCVEGCSA-N -1 3 423.487 3.573 20 0 HHADHM C[C@H]1CCCN(c2cc(C(=O)NCc3ccc([O-])c(Br)c3)ccn2)C1 ZINC000462247130 985229228 /nfs/dbraw/zinc/22/92/28/985229228.db2.gz TVFUYRIBUBFPSK-ZDUSSCGKSA-N -1 3 404.308 3.716 20 0 HHADHM COC(=O)c1cc(C)ccc1S(=O)(=O)[N-]c1cc(F)cc(F)c1Br ZINC000442836935 985237843 /nfs/dbraw/zinc/23/78/43/985237843.db2.gz OWZZAFCYTZGPMO-UHFFFAOYSA-N -1 3 420.231 3.623 20 0 HHADHM COc1cc(C(=O)NCc2ccccc2CN2C[C@H](C)O[C@@H](C)C2)cc(Cl)c1[O-] ZINC000442859852 985249161 /nfs/dbraw/zinc/24/91/61/985249161.db2.gz VRBDDMQNHADBBD-GJZGRUSLSA-N -1 3 418.921 3.593 20 0 HHADHM O=S(=O)([N-]C[C@H]1CCCO[C@H]1c1ccccc1)c1cnccc1C(F)(F)F ZINC000442906913 985272780 /nfs/dbraw/zinc/27/27/80/985272780.db2.gz IHLCMOADSSYRSS-PBHICJAKSA-N -1 3 400.422 3.547 20 0 HHADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@@H](CC(F)(F)F)c1ccccc1 ZINC000442916229 985279108 /nfs/dbraw/zinc/27/91/08/985279108.db2.gz ADOCJCUJAGOSKD-LBPRGKRZSA-N -1 3 407.435 3.815 20 0 HHADHM COC[C@H](C)[C@@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000462292422 985279797 /nfs/dbraw/zinc/27/97/97/985279797.db2.gz ANNGWOTWFMHGCZ-JKSUJKDBSA-N -1 3 420.531 3.662 20 0 HHADHM O=S(=O)([N-][C@@H]1CCOc2c(F)ccc(F)c21)c1ccc(F)cc1C(F)(F)F ZINC000462294570 985281186 /nfs/dbraw/zinc/28/11/86/985281186.db2.gz WMAXKZKJEAXMRA-GFCCVEGCSA-N -1 3 411.323 3.925 20 0 HHADHM O=C1[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2F)CCCN1c1ccccc1Cl ZINC000462317354 985305495 /nfs/dbraw/zinc/30/54/95/985305495.db2.gz NBNQKLDFNMPVTE-ZDUSSCGKSA-N -1 3 417.289 3.606 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H](C)COc1cccc(F)c1 ZINC000443024636 985342282 /nfs/dbraw/zinc/34/22/82/985342282.db2.gz KPDIINPZKXIHOG-GFCCVEGCSA-N -1 3 423.487 3.573 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H](C)c1cc(F)ccc1OC ZINC000443102234 985375536 /nfs/dbraw/zinc/37/55/36/985375536.db2.gz OEBVSEPZADRKEG-LLVKDONJSA-N -1 3 423.487 3.875 20 0 HHADHM CC1CCN([C@H](C[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c2cccs2)CC1 ZINC000462474094 985431399 /nfs/dbraw/zinc/43/13/99/985431399.db2.gz RBWVCNDTRCTINS-MRXNPFEDSA-N -1 3 418.506 3.917 20 0 HHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](CO)Cc2c[nH]c3ccccc23)c1Cl ZINC000443211187 985443969 /nfs/dbraw/zinc/44/39/69/985443969.db2.gz DEQCUNITWAONQC-ZDUSSCGKSA-N -1 3 413.326 3.665 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@H](c2ccc(F)cc2)N(C)C)s1 ZINC000462541674 985489538 /nfs/dbraw/zinc/48/95/38/985489538.db2.gz GIUNZAWWOBECEN-AWEZNQCLSA-N -1 3 421.357 3.539 20 0 HHADHM Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000443343768 985509009 /nfs/dbraw/zinc/50/90/09/985509009.db2.gz JSFKAGHNGXCNJT-CYBMUJFWSA-N -1 3 414.961 3.845 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](CC(C)C)c1ccccc1OC ZINC000443376622 985537525 /nfs/dbraw/zinc/53/75/25/985537525.db2.gz WDDKFCRORPRVBN-INIZCTEOSA-N -1 3 409.479 3.687 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C[C@H](c1cccnc1)C(C)C ZINC000443378130 985537999 /nfs/dbraw/zinc/53/79/99/985537999.db2.gz UPTHHGOJUWLIHT-INIZCTEOSA-N -1 3 418.540 3.801 20 0 HHADHM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3cc4c(cc3F)CCC(=O)N4)c2)n1 ZINC000443402108 985555648 /nfs/dbraw/zinc/55/56/48/985555648.db2.gz XDNUAWFFJNUCFZ-UHFFFAOYSA-N -1 3 417.487 3.943 20 0 HHADHM COC(=O)c1ccc(S(=O)(=O)[N-]CC(C)(C)c2c(F)cccc2Cl)s1 ZINC000462612795 985556371 /nfs/dbraw/zinc/55/63/71/985556371.db2.gz CQAIDIGKJOXUER-UHFFFAOYSA-N -1 3 405.900 3.583 20 0 HHADHM C[C@H]1CC[C@H](C)N1CC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000467925761 985559574 /nfs/dbraw/zinc/55/95/74/985559574.db2.gz FDGGVPWSKKSDTH-GJZGRUSLSA-N -1 3 421.950 3.952 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000467927602 985561053 /nfs/dbraw/zinc/56/10/53/985561053.db2.gz PSTUTPCGMTTYEZ-QWRGUYRKSA-N -1 3 400.194 3.992 20 0 HHADHM CCOc1cccc(S(=O)(=O)[N-]c2cc(NC(=O)c3cnoc3C)ccc2F)c1 ZINC000443410347 985565613 /nfs/dbraw/zinc/56/56/13/985565613.db2.gz ZTAJVBPQGVXQMR-UHFFFAOYSA-N -1 3 419.434 3.574 20 0 HHADHM O=c1[n-]nc(SCc2ccn(-c3c(F)cccc3F)n2)n1CCc1ccccc1 ZINC000443432611 985591088 /nfs/dbraw/zinc/59/10/88/985591088.db2.gz DEMOHJQOCJHWIZ-UHFFFAOYSA-N -1 3 413.453 3.983 20 0 HHADHM COc1ccccc1-c1noc([C@H](C)[N-]S(=O)(=O)c2ccc3ccccc3c2)n1 ZINC000462659671 985599477 /nfs/dbraw/zinc/59/94/77/985599477.db2.gz PWQWUEVQVDMZDM-AWEZNQCLSA-N -1 3 409.467 3.938 20 0 HHADHM Cc1ccc(-n2[n-]c(C(=O)NC[C@@H](c3ccccc3)N3CCC(C)CC3)cc2=O)cc1 ZINC000467974078 985618655 /nfs/dbraw/zinc/61/86/55/985618655.db2.gz RKTAUBIIMALJEC-QHCPKHFHSA-N -1 3 418.541 3.677 20 0 HHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)[C@H](O)Cc1ccccc1 ZINC000443481084 985655327 /nfs/dbraw/zinc/65/53/27/985655327.db2.gz DQOGMFIFHVJFBT-IAQYHMDHSA-N -1 3 407.841 3.629 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC000443498754 985672227 /nfs/dbraw/zinc/67/22/27/985672227.db2.gz MHWYXNGMZJFIAS-CGTJXYLNSA-N -1 3 413.520 3.695 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1Oc1ccccc1C ZINC000443502637 985675147 /nfs/dbraw/zinc/67/51/47/985675147.db2.gz WTCREXSWLHYATL-AEFFLSMTSA-N -1 3 421.490 3.589 20 0 HHADHM COC(=O)c1nscc1S(=O)(=O)[N-]Cc1ccc(Sc2ccccc2)cc1 ZINC000443508083 985679118 /nfs/dbraw/zinc/67/91/18/985679118.db2.gz JPKVCPKXFIVICF-UHFFFAOYSA-N -1 3 420.537 3.559 20 0 HHADHM COC(=O)c1cc(C)nc2nc(SCc3nc(C(F)(F)F)cs3)[n-]c(=O)c21 ZINC000443517845 985688169 /nfs/dbraw/zinc/68/81/69/985688169.db2.gz 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O=C(NCc1ccc([O-])c(Br)c1)N[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000463017943 985974587 /nfs/dbraw/zinc/97/45/87/985974587.db2.gz AYCQMDWYFKLSHN-CRAIPNDOSA-N -1 3 405.292 3.874 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@H]1c2ccccc2CCC[C@H]1C ZINC000463043469 986003645 /nfs/dbraw/zinc/00/36/45/986003645.db2.gz KCTFHTRSXLPPNZ-WAIKUNEKSA-N -1 3 416.525 3.903 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)NC[C@H](c1ccccc1Cl)N1CCOCC1 ZINC000468322797 986018487 /nfs/dbraw/zinc/01/84/87/986018487.db2.gz VFCAWKFFMBFHBC-HXUWFJFHSA-N -1 3 420.912 3.697 20 0 HHADHM COc1cc(F)c([N-]C(=O)c2nnn(-c3ccc(F)cc3)c2C(F)(F)F)cc1F ZINC000468363003 986061157 /nfs/dbraw/zinc/06/11/57/986061157.db2.gz RRGOMDIZOVRVRQ-UHFFFAOYSA-N -1 3 416.281 3.964 20 0 HHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccc(Br)c(Cl)c1F ZINC000443909785 986108182 /nfs/dbraw/zinc/10/81/82/986108182.db2.gz SEORBEBCRJGCLV-UHFFFAOYSA-N -1 3 421.675 3.865 20 0 HHADHM Cn1cccc1[C@@H]1CCCN1C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000443916592 986119241 /nfs/dbraw/zinc/11/92/41/986119241.db2.gz NDQQCWCNIUZNHD-KRWDZBQOSA-N -1 3 400.276 3.606 20 0 HHADHM CCc1ccc(CC)c(NC(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000443931053 986139287 /nfs/dbraw/zinc/13/92/87/986139287.db2.gz UTEFBRRWLXTVGS-UHFFFAOYSA-N -1 3 415.968 3.626 20 0 HHADHM COc1ccc(-c2ncc(C(=O)[N-]c3n[nH]c(-c4ccccc4OC)n3)s2)cc1 ZINC000463184635 986156284 /nfs/dbraw/zinc/15/62/84/986156284.db2.gz UARFXUIZPMDZGF-UHFFFAOYSA-N -1 3 407.455 3.865 20 0 HHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1 ZINC000463194572 986166901 /nfs/dbraw/zinc/16/69/01/986166901.db2.gz VLMPMUJQLXHSKU-UHFFFAOYSA-N -1 3 418.310 3.932 20 0 HHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1 ZINC000463194572 986166907 /nfs/dbraw/zinc/16/69/07/986166907.db2.gz VLMPMUJQLXHSKU-UHFFFAOYSA-N -1 3 418.310 3.932 20 0 HHADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H](CC(F)(F)F)c1ccccc1C ZINC000443961068 986168305 /nfs/dbraw/zinc/16/83/05/986168305.db2.gz FBFXMOUCJRKFHW-GFCCVEGCSA-N -1 3 407.435 3.815 20 0 HHADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@H](CC(F)(F)F)c1ccccc1C ZINC000443964817 986171702 /nfs/dbraw/zinc/17/17/02/986171702.db2.gz JHMDQPKLZXQMCC-OAHLLOKOSA-N -1 3 419.396 3.893 20 0 HHADHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@H](CC(F)(F)F)c2ccccc2C)s1 ZINC000443988467 986189886 /nfs/dbraw/zinc/18/98/86/986189886.db2.gz OMTWLJHIEZIXPZ-OAHLLOKOSA-N -1 3 420.478 3.665 20 0 HHADHM CC(C)(C)[C@H]1CN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)CCO1 ZINC000468520271 986223452 /nfs/dbraw/zinc/22/34/52/986223452.db2.gz XGLAMGQFPSYTKM-LJQANCHMSA-N -1 3 420.506 3.514 20 0 HHADHM Cc1cc([C@H]2CCCN2C(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)on1 ZINC000444029974 986225454 /nfs/dbraw/zinc/22/54/54/986225454.db2.gz JWLZOFFEUOKZCZ-CYBMUJFWSA-N -1 3 407.348 3.700 20 0 HHADHM CCCOc1ccc(S(=O)(=O)[N-]c2cccc(CN3CCSCC3)c2)cc1 ZINC000444032258 986227705 /nfs/dbraw/zinc/22/77/05/986227705.db2.gz OUUHUVBWTSXHEB-UHFFFAOYSA-N -1 3 406.573 3.825 20 0 HHADHM O=S(=O)([N-]c1cccc(CN2CCCCC2)c1)c1cc2c(cc1Cl)OCCO2 ZINC000444037594 986235002 /nfs/dbraw/zinc/23/50/02/986235002.db2.gz WDDSASLXOSFFCK-UHFFFAOYSA-N -1 3 422.934 3.898 20 0 HHADHM O=S(=O)([N-]c1ccc(CCN2CCSCC2)cc1)c1c(F)cccc1Cl ZINC000444053304 986253100 /nfs/dbraw/zinc/25/31/00/986253100.db2.gz IQHMJUXLZBDSGE-UHFFFAOYSA-N -1 3 414.955 3.871 20 0 HHADHM COCCOc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(F)cc1Br ZINC000468549587 986256309 /nfs/dbraw/zinc/25/63/09/986256309.db2.gz WKHBUCFCNNWWLD-UHFFFAOYSA-N -1 3 422.247 3.553 20 0 HHADHM CCN(CC)Cc1nc(C2(NC(=O)CCCc3ccc([O-])c(F)c3)CCCC2)no1 ZINC000468621938 986338431 /nfs/dbraw/zinc/33/84/31/986338431.db2.gz SHAPQSGZMLTQPX-UHFFFAOYSA-N -1 3 418.513 3.665 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000468775545 986487856 /nfs/dbraw/zinc/48/78/56/986487856.db2.gz BISIJNMQYXJFLD-UHFFFAOYSA-N -1 3 416.468 3.548 20 0 HHADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CCC[C@@H]1[C@H]1CCCCC1=O ZINC000444306314 986489825 /nfs/dbraw/zinc/48/98/25/986489825.db2.gz WEISQDPNHAFRFI-CXAGYDPISA-N -1 3 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ZINC000472421219 993418780 /nfs/dbraw/zinc/41/87/80/993418780.db2.gz RQOWMWXAAHQNNM-UHFFFAOYSA-N -1 3 408.785 3.688 20 0 HHADHM Cc1ccc(CS(=O)(=O)[N-][C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)c(F)c1 ZINC000480821779 993697138 /nfs/dbraw/zinc/69/71/38/993697138.db2.gz WRQITAGYDSVFJO-CYBMUJFWSA-N -1 3 407.442 3.812 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](CO)c3ccccc3OC(F)(F)F)nc2)n1 ZINC000480856869 993730054 /nfs/dbraw/zinc/73/00/54/993730054.db2.gz ZQINMDFOYGPJCJ-OAHLLOKOSA-N -1 3 420.391 3.851 20 0 HHADHM Cc1nc(C2([N-]S(=O)(=O)c3ccc(-c4csc(C)n4)s3)CCCC2)no1 ZINC000480924680 993776641 /nfs/dbraw/zinc/77/66/41/993776641.db2.gz HETMRSZVGXTPEJ-UHFFFAOYSA-N -1 3 410.546 3.619 20 0 HHADHM CC(C)COC[C@@H]([N-]S(=O)(=O)Cc1ccc(Br)cc1)c1ccco1 ZINC000480983678 993824989 /nfs/dbraw/zinc/82/49/89/993824989.db2.gz BNQLMUGWEKYNNT-MRXNPFEDSA-N -1 3 416.337 3.875 20 0 HHADHM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc2ccccc2c1)c1ccc(OC)c(Cl)c1 ZINC000472955391 993887884 /nfs/dbraw/zinc/88/78/84/993887884.db2.gz 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CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC3CC(C)C3)c2)cc1 ZINC000473462231 994305990 /nfs/dbraw/zinc/30/59/90/994305990.db2.gz KPNWEDJBEPVGHP-UHFFFAOYSA-N -1 3 402.516 3.723 20 0 HHADHM CCc1ccc(S(=O)(=O)[N-][C@H](CO)c2ccc(Cl)cc2C(F)(F)F)s1 ZINC000481503978 994336200 /nfs/dbraw/zinc/33/62/00/994336200.db2.gz VVZASLYTOPJJOX-CYBMUJFWSA-N -1 3 413.870 3.995 20 0 HHADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@H](CO)c2ccc(Cl)cc2C(F)(F)F)c1 ZINC000481507895 994339728 /nfs/dbraw/zinc/33/97/28/994339728.db2.gz JMRJSVASHCTZAB-CQSZACIVSA-N -1 3 411.804 3.818 20 0 HHADHM COc1cc(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)cc(Cl)c1[O-] ZINC000473526375 994382427 /nfs/dbraw/zinc/38/24/27/994382427.db2.gz RDVPKBUADKCCNO-UHFFFAOYSA-N -1 3 406.832 3.589 20 0 HHADHM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000481662018 994522889 /nfs/dbraw/zinc/52/28/89/994522889.db2.gz YEKGUWWMBXVYCM-SFHVURJKSA-N -1 3 412.440 3.878 20 0 HHADHM CCOC(=O)c1ccc(NC(=O)[C@H](C)c2c(C)nn(CC(F)(F)F)c2C)c([O-])c1 ZINC000481811089 994660376 /nfs/dbraw/zinc/66/03/76/994660376.db2.gz ZGBYYZOLARTPRN-SNVBAGLBSA-N -1 3 413.396 3.687 20 0 HHADHM Cc1cc2c(cc1S(=O)(=O)[N-]c1cccc3c1CN([C@@H](C)C(C)C)C3)OCO2 ZINC000481840244 994694399 /nfs/dbraw/zinc/69/43/99/994694399.db2.gz LZFGZACIVUVYSN-HNNXBMFYSA-N -1 3 402.516 3.885 20 0 HHADHM CN(C)Cc1ccc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)cc1Cl ZINC000481862847 994723449 /nfs/dbraw/zinc/72/34/49/994723449.db2.gz BYRRSQMYTGQZBG-UHFFFAOYSA-N -1 3 415.902 3.921 20 0 HHADHM COc1cc(Cl)c(S(=O)(=O)[N-]c2c3c(ccc2Cl)OCC3)cc1OC ZINC000481868361 994730695 /nfs/dbraw/zinc/73/06/95/994730695.db2.gz PJWGGUUESXKILX-UHFFFAOYSA-N -1 3 404.271 3.746 20 0 HHADHM CCCOc1ccc(CN(CCC)C(=O)Cc2c(C)nc(C)[n-]c2=O)cc1OC ZINC000481879531 994743782 /nfs/dbraw/zinc/74/37/82/994743782.db2.gz PMNTZHPZFNRGGI-UHFFFAOYSA-N -1 3 401.507 3.578 20 0 HHADHM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3ccc(CN(C)C)c(Cl)c3)cc2F)c1 ZINC000481891055 994758956 /nfs/dbraw/zinc/75/89/56/994758956.db2.gz OZWFIMJCTMTXHV-UHFFFAOYSA-N -1 3 422.913 3.836 20 0 HHADHM COc1cccc(N2CC[C@@H](C[N-]S(=O)(=O)c3cc(C)c(Cl)s3)C2)c1 ZINC000473852881 994789006 /nfs/dbraw/zinc/78/90/06/994789006.db2.gz CDMFXWVZAXPRCR-ZDUSSCGKSA-N -1 3 400.953 3.523 20 0 HHADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2nc(C)c(Cl)cc2Cl)cc1 ZINC000481940975 994817035 /nfs/dbraw/zinc/81/70/35/994817035.db2.gz GNQJLIZBDUOWMO-UHFFFAOYSA-N -1 3 405.303 3.913 20 0 HHADHM O=C(CCc1ncc(-c2ccccc2Cl)o1)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000473882040 994829406 /nfs/dbraw/zinc/82/94/06/994829406.db2.gz AZRPSTWPKCTSBL-UHFFFAOYSA-N -1 3 408.849 3.670 20 0 HHADHM O=C(CCc1ncc(-c2ccccc2Cl)o1)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000473882040 994829410 /nfs/dbraw/zinc/82/94/10/994829410.db2.gz AZRPSTWPKCTSBL-UHFFFAOYSA-N -1 3 408.849 3.670 20 0 HHADHM O=C(N[C@@H](c1ccccc1)C(F)F)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000481962211 994849214 /nfs/dbraw/zinc/84/92/14/994849214.db2.gz JCOUOTLGBPMUPG-KRWDZBQOSA-N -1 3 423.416 3.691 20 0 HHADHM CC(C)Oc1cc(Br)ccc1C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000473898831 994855524 /nfs/dbraw/zinc/85/55/24/994855524.db2.gz UKTKDIGCWANKCB-UHFFFAOYSA-N -1 3 416.279 3.593 20 0 HHADHM CC(C)Oc1cc(Br)ccc1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000473898831 994855531 /nfs/dbraw/zinc/85/55/31/994855531.db2.gz UKTKDIGCWANKCB-UHFFFAOYSA-N -1 3 416.279 3.593 20 0 HHADHM Cc1ccncc1CN(C)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000481970114 994860369 /nfs/dbraw/zinc/86/03/69/994860369.db2.gz PLSMAMALAACKFU-UHFFFAOYSA-N -1 3 420.694 3.920 20 0 HHADHM O=c1[n-]c(SCc2ccc(Br)cn2)nc2c1cnn2-c1ccccc1 ZINC000481987289 994885919 /nfs/dbraw/zinc/88/59/19/994885919.db2.gz ISSIHTPMFXNLRR-UHFFFAOYSA-N -1 3 414.288 3.971 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NC2(c3ccc(Cl)cc3)CC2)cc1OC ZINC000481987666 994887201 /nfs/dbraw/zinc/88/72/01/994887201.db2.gz JPNWRGHRKNCCJV-UHFFFAOYSA-N -1 3 423.922 3.921 20 0 HHADHM Cc1cc(S(=O)(=O)[N-][C@H](CCO)c2ccccc2Br)sc1Cl ZINC000473955119 994933564 /nfs/dbraw/zinc/93/35/64/994933564.db2.gz ZTARMNRFYIMETL-GFCCVEGCSA-N -1 3 424.769 3.874 20 0 HHADHM Cc1ccccc1[C@@H]([C@H](C)[N-]S(=O)(=O)c1sccc1Br)N(C)C ZINC000473959282 994938855 /nfs/dbraw/zinc/93/88/55/994938855.db2.gz WWYAJUSAODRJFP-SWLSCSKDSA-N -1 3 417.394 3.789 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C[C@H]3CCC(=O)[C@H]3C)cc2)cc1 ZINC000474091064 995073423 /nfs/dbraw/zinc/07/34/23/995073423.db2.gz ZTPZVMLHBBKXSG-JKSUJKDBSA-N -1 3 400.500 3.740 20 0 HHADHM COC[C@H]([N-]S(=O)(=O)c1cc(C)c(Br)cc1C)c1ccc(C)o1 ZINC000474172817 995161561 /nfs/dbraw/zinc/16/15/61/995161561.db2.gz SRINAOWYGQMYFM-AWEZNQCLSA-N -1 3 402.310 3.633 20 0 HHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NC[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000482196009 995173439 /nfs/dbraw/zinc/17/34/39/995173439.db2.gz BFHVUSVMUKDDTG-CJNGLKHVSA-N -1 3 408.424 3.580 20 0 HHADHM Cc1ccc(C(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1NC(=O)Nc1ccccc1 ZINC000482241391 995223201 /nfs/dbraw/zinc/22/32/01/995223201.db2.gz IWXYISHYCVYLTH-UHFFFAOYSA-N -1 3 418.379 3.706 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)[C@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000482242414 995223819 /nfs/dbraw/zinc/22/38/19/995223819.db2.gz MXWFZEQTRBDUSZ-IRXDYDNUSA-N -1 3 416.403 3.822 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)NC[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000482303702 995283053 /nfs/dbraw/zinc/28/30/53/995283053.db2.gz ZBHAMBXGDRCOQO-CQSZACIVSA-N -1 3 422.298 3.620 20 0 HHADHM Cc1ccc(Cl)c([N-]S(=O)(=O)c2cc3c(cc2Br)OCCO3)c1 ZINC000474297313 995287777 /nfs/dbraw/zinc/28/77/77/995287777.db2.gz LGARCFDHQZIKJD-UHFFFAOYSA-N -1 3 418.696 3.983 20 0 HHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F)C1CCOCC1 ZINC000474303634 995292086 /nfs/dbraw/zinc/29/20/86/995292086.db2.gz PQPYUTBKYFMTKS-SECBINFHSA-N -1 3 416.259 3.561 20 0 HHADHM C[C@H](CNC(=O)NCc1ccc([O-])c(Br)c1)COCc1ccccc1 ZINC000482315786 995293853 /nfs/dbraw/zinc/29/38/53/995293853.db2.gz VUZQQQYRHCGENH-CQSZACIVSA-N -1 3 407.308 3.807 20 0 HHADHM O=S(=O)([N-]C[C@@H]1CCO[C@H]1c1ccccc1)c1csc(-c2ccccc2)n1 ZINC000482316768 995294916 /nfs/dbraw/zinc/29/49/16/995294916.db2.gz JXRUZJAQTUFKSC-HKUYNNGSSA-N -1 3 400.525 3.866 20 0 HHADHM Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)c(F)cc1F ZINC000482497796 995508281 /nfs/dbraw/zinc/50/82/81/995508281.db2.gz FSIMLJCFRDIAOQ-UHFFFAOYSA-N -1 3 408.348 3.916 20 0 HHADHM C[C@@H]1CCC[C@@H](CNC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)[C@H]1C ZINC000482709425 995697377 /nfs/dbraw/zinc/69/73/77/995697377.db2.gz BVLHKRKKWLUUCR-ILXRZTDVSA-N -1 3 407.511 3.757 20 0 HHADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)CCCSc1ccc(Cl)cc1 ZINC000474776277 995703693 /nfs/dbraw/zinc/70/36/93/995703693.db2.gz WAPHDRAJEMRXNG-UHFFFAOYSA-N -1 3 410.879 3.752 20 0 HHADHM CCc1c(NC(=O)Cc2c(C)nc(C)[n-]c2=O)cnn1-c1cccc(C(F)(F)F)c1 ZINC000482726448 995710585 /nfs/dbraw/zinc/71/05/85/995710585.db2.gz YZUAXMGZZAZOKF-UHFFFAOYSA-N -1 3 419.407 3.747 20 0 HHADHM COC(=O)[C@@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)c1ccccc1C ZINC000474938868 995812758 /nfs/dbraw/zinc/81/27/58/995812758.db2.gz AJLNSGYIUCIUCE-KRWDZBQOSA-N -1 3 406.467 3.836 20 0 HHADHM O=C(NC[C@@H]1CCCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C1)c1ccccc1 ZINC000482933446 995862759 /nfs/dbraw/zinc/86/27/59/995862759.db2.gz WYWBYTXJNXJSIR-INIZCTEOSA-N -1 3 416.481 3.724 20 0 HHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1 ZINC000475013108 995869693 /nfs/dbraw/zinc/86/96/93/995869693.db2.gz BPTVYGSZUZJSCE-AWEZNQCLSA-N -1 3 402.926 3.840 20 0 HHADHM Cc1cccc(Oc2ccccc2CNC(=O)NCc2nc(C(F)(F)F)n[n-]2)c1 ZINC000483026404 995928166 /nfs/dbraw/zinc/92/81/66/995928166.db2.gz ZOPYCOSPZCNPFJ-UHFFFAOYSA-N -1 3 405.380 3.924 20 0 HHADHM Cc1cccc2c(=O)c(C(=O)Nc3cccc(CS(=O)(=O)C(C)(C)C)c3)c[n-]c12 ZINC000483042032 995936688 /nfs/dbraw/zinc/93/66/88/995936688.db2.gz CKRUFRKWIVVNLW-UHFFFAOYSA-N -1 3 412.511 3.802 20 0 HHADHM O=c1[n-]c(CN[C@@H](CO)c2ccccc2OC(F)(F)F)nc2c3ccccc3oc21 ZINC000483118130 995986634 /nfs/dbraw/zinc/98/66/34/995986634.db2.gz PUSVZNGWEWENAI-ZDUSSCGKSA-N -1 3 419.359 3.803 20 0 HHADHM Cc1ccc(CNC(=O)NCc2nc(C(F)(F)F)n[n-]2)c(O[C@H](C)CC(C)C)c1 ZINC000483196554 996031398 /nfs/dbraw/zinc/03/13/98/996031398.db2.gz 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HHADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1ccc(OCC(F)(F)F)nc1 ZINC000485113716 997496567 /nfs/dbraw/zinc/49/65/67/997496567.db2.gz NHIYSQOKCLWFDL-UHFFFAOYSA-N -1 3 403.320 3.806 20 0 HHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1ccc(OCC(F)(F)F)nc1 ZINC000485113716 997496574 /nfs/dbraw/zinc/49/65/74/997496574.db2.gz NHIYSQOKCLWFDL-UHFFFAOYSA-N -1 3 403.320 3.806 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)Nc3cc(OC)c(C)cc3C)c2)n1 ZINC000485129547 997514538 /nfs/dbraw/zinc/51/45/38/997514538.db2.gz ZZCBIJKTPGQQRQ-UHFFFAOYSA-N -1 3 420.469 3.614 20 0 HHADHM CCCOc1cn(-c2ccccc2)nc1C(=O)[N-]c1ccc(F)c(C(=O)OC)c1F ZINC000485148168 997531616 /nfs/dbraw/zinc/53/16/16/997531616.db2.gz NHGIHUSDFRWVAZ-UHFFFAOYSA-N -1 3 415.396 3.978 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1cccc(COc2ccc(F)cc2)c1 ZINC000485191805 997571285 /nfs/dbraw/zinc/57/12/85/997571285.db2.gz XZNGUGGEFONQLG-UHFFFAOYSA-N -1 3 409.343 3.863 20 0 HHADHM O=C(c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)N1CCc2nc[n-]c(=O)c2C1 ZINC000476982882 997606089 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402.454 3.771 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]Cc2cccc(-c3ncc[nH]3)c2)sc1Br ZINC000543997329 1009597535 /nfs/dbraw/zinc/59/75/35/1009597535.db2.gz ZYFKFENHHNAKKE-UHFFFAOYSA-N -1 3 412.334 3.688 20 0 HHADHM O=C(Nc1ncccc1[O-])c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC000544023708 1009623450 /nfs/dbraw/zinc/62/34/50/1009623450.db2.gz HAFAMYWJRIDADO-UHFFFAOYSA-N -1 3 410.270 3.922 20 0 HHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CC2(c3ccccc3)CCC2)cc1Cl ZINC000520559096 1009642028 /nfs/dbraw/zinc/64/20/28/1009642028.db2.gz KAEYAPNDCZEFFX-UHFFFAOYSA-N -1 3 410.898 3.838 20 0 HHADHM Cc1nc(C(F)(F)F)c(CN2C(=O)[N-][C@@](c3ccccc3)(C(F)(F)F)C2=O)s1 ZINC000546750886 1009717891 /nfs/dbraw/zinc/71/78/91/1009717891.db2.gz NRFBSZQQZOZGQB-CQSZACIVSA-N -1 3 423.338 3.980 20 0 HHADHM COc1cc(Br)cc(S(=O)(=O)[N-]c2cc(F)c(OC)cc2F)c1 ZINC000546860329 1009823236 /nfs/dbraw/zinc/82/32/36/1009823236.db2.gz AQOXWHPRKLWEHJ-UHFFFAOYSA-N -1 3 408.220 3.545 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c(NC(=O)CN3CCCCC3)c2)cc1C 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ZINC000524151176 1012938449 /nfs/dbraw/zinc/93/84/49/1012938449.db2.gz VGDIOXPUVMBGRB-DJJJIMSYSA-N -1 3 403.504 3.512 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@@H]2CCC[C@@H]2c2ccccc2)cc1OC ZINC000524150981 1012938870 /nfs/dbraw/zinc/93/88/70/1012938870.db2.gz JUQWCMUREQJUKL-QZTJIDSGSA-N -1 3 417.531 3.915 20 0 HHADHM C[C@H](CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)c1ccccc1 ZINC000524171579 1012966048 /nfs/dbraw/zinc/96/60/48/1012966048.db2.gz JGNDCRRVGZJSHN-OAHLLOKOSA-N -1 3 415.490 3.830 20 0 HHADHM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(OCC(=O)N(C)C)c(Cl)c2)cc1 ZINC000524188279 1012991096 /nfs/dbraw/zinc/99/10/96/1012991096.db2.gz UFCYXXHWZJBZEZ-UHFFFAOYSA-N -1 3 410.923 3.731 20 0 HHADHM CC(C)[C@](C)(Cc1ccccc1)C(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O ZINC001126991402 1071759729 /nfs/dbraw/zinc/75/97/29/1071759729.db2.gz GAEBZROPLHXYEQ-NRFANRHFSA-N -1 3 406.523 3.718 20 0 HHADHM CCOC(=O)c1ccc(NC(=O)c2cnc3ncc(Br)cc3c2)c([O-])c1 ZINC000614860553 1071786549 /nfs/dbraw/zinc/78/65/49/1071786549.db2.gz ZWEFNMLTPHQCJH-UHFFFAOYSA-N -1 3 416.231 3.527 20 0 HHADHM COC(=O)c1ccc(-c2noc(-c3c[n-]c(=NC(=O)OC(C)(C)C)s3)n2)cc1 ZINC000904557433 1071798162 /nfs/dbraw/zinc/79/81/62/1071798162.db2.gz VUEPIKLDEVBTRV-UHFFFAOYSA-N -1 3 402.432 3.994 20 0 HHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]Cc2cc(C3CC3)ccc2F)cc1Cl ZINC001211973386 1071826501 /nfs/dbraw/zinc/82/65/01/1071826501.db2.gz GOVUKHYZPAGRCN-UHFFFAOYSA-N -1 3 414.861 3.933 20 0 HHADHM CSCC[C@H]([N-]S(=O)(=O)c1ccc(C)cc1)c1nc(-c2cc(C)ccn2)no1 ZINC000904943881 1071942062 /nfs/dbraw/zinc/94/20/62/1071942062.db2.gz DRIOJUZLORYCAW-INIZCTEOSA-N -1 3 418.544 3.521 20 0 HHADHM O=S(=O)(Cc1ccno1)[N-]C[C@H](OCc1ccccc1)c1ccc(Cl)cc1 ZINC001212071825 1071960802 /nfs/dbraw/zinc/96/08/02/1071960802.db2.gz FFZGRIBIXIXMGA-IBGZPJMESA-N -1 3 406.891 3.706 20 0 HHADHM Cc1nc(C)c(CCC(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)c(=O)[n-]1 ZINC000614954601 1072002108 /nfs/dbraw/zinc/00/21/08/1072002108.db2.gz BRYNCVLQCAWUAJ-UHFFFAOYSA-N -1 3 408.433 3.762 20 0 HHADHM N[C@@H](CCc1cc(=O)oc2cc([O-])ccc12)c1nc(-c2cc(F)cc(F)c2F)no1 ZINC001212097881 1072075335 /nfs/dbraw/zinc/07/53/35/1072075335.db2.gz NPJQMJYKXSKLPA-HNNXBMFYSA-N -1 3 417.343 3.599 20 0 HHADHM N[C@@H](CCc1cc(=O)oc2cc([O-])ccc12)c1nc(-c2ccc3ncsc3c2)no1 ZINC001212097965 1072076125 /nfs/dbraw/zinc/07/61/25/1072076125.db2.gz RPJVTBLWVAJSKE-HNNXBMFYSA-N -1 3 420.450 3.791 20 0 HHADHM Cc1ccc(CS(=O)(=O)[N-][C@H](Cc2ccccc2)C(=O)OC(C)(C)C)cc1C ZINC000911594024 1072214246 /nfs/dbraw/zinc/21/42/46/1072214246.db2.gz GGWDMRMOZYIFKE-HXUWFJFHSA-N -1 3 403.544 3.676 20 0 HHADHM Cc1ccc(C)c([C@H](C)N(C)C(=O)C[C@H](C)[N-]S(=O)(=O)c2cccnc2Cl)c1 ZINC000760345583 1072260749 /nfs/dbraw/zinc/26/07/49/1072260749.db2.gz UBMLDSNWOOZUJP-HOTGVXAUSA-N -1 3 423.966 3.628 20 0 HHADHM Cc1ccc(N2C(=O)c3ccccc3C(=CNc3cccc(-c4nnn[n-]4)c3)C2=O)cc1 ZINC000912745128 1072274686 /nfs/dbraw/zinc/27/46/86/1072274686.db2.gz ATPXONCNADYGQU-KGENOOAVSA-N -1 3 422.448 3.815 20 0 HHADHM Cc1ccc(N2C(=O)c3ccccc3C(=CNc3cccc(-c4nn[n-]n4)c3)C2=O)cc1 ZINC000912745128 1072274697 /nfs/dbraw/zinc/27/46/97/1072274697.db2.gz ATPXONCNADYGQU-KGENOOAVSA-N -1 3 422.448 3.815 20 0 HHADHM CC[C@H](c1ccccc1)N(CC)C(=O)C[C@@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000760478194 1072386383 /nfs/dbraw/zinc/38/63/83/1072386383.db2.gz ISYKMLPXDOBBNT-NVXWUHKLSA-N -1 3 423.966 3.792 20 0 HHADHM CCc1cc2c(CN(C)[C@H](C)c3ccc(S(C)(=O)=O)cc3)cc(=O)oc2cc1[O-] ZINC000897672840 1072408237 /nfs/dbraw/zinc/40/82/37/1072408237.db2.gz PJNAFWSDUJISGJ-CQSZACIVSA-N -1 3 415.511 3.658 20 0 HHADHM C[C@H](C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1c(Cl)cccc1Cl ZINC000586750885 1072415283 /nfs/dbraw/zinc/41/52/83/1072415283.db2.gz YVCQTTYMLQXIBM-ZDUSSCGKSA-N -1 3 407.297 3.787 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)c3ccc(C(F)(F)F)s3)c2)[n-]1 ZINC000586816105 1072447549 /nfs/dbraw/zinc/44/75/49/1072447549.db2.gz XEFPUDBJENCZIB-UHFFFAOYSA-N -1 3 424.404 3.659 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)c3ccc(C(F)(F)F)s3)c2)n[n-]1 ZINC000586816105 1072447552 /nfs/dbraw/zinc/44/75/52/1072447552.db2.gz XEFPUDBJENCZIB-UHFFFAOYSA-N -1 3 424.404 3.659 20 0 HHADHM CC(C)COc1cccc(NC(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)c1 ZINC000729842064 1072484422 /nfs/dbraw/zinc/48/44/22/1072484422.db2.gz RMSJIFLWLRMFSQ-UHFFFAOYSA-N -1 3 424.469 3.693 20 0 HHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000760538961 1072563077 /nfs/dbraw/zinc/56/30/77/1072563077.db2.gz QRKXXVFVZSVJBO-UHFFFAOYSA-N -1 3 412.483 3.558 20 0 HHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000760544186 1072567606 /nfs/dbraw/zinc/56/76/06/1072567606.db2.gz DZBXORDATPMBOL-ZDUSSCGKSA-N -1 3 418.446 3.876 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@H]3CCC(=O)[C@@H](C)C3)cc2)cc1 ZINC000479119087 1072755628 /nfs/dbraw/zinc/75/56/28/1072755628.db2.gz NAEPVRZLWREGDL-HOTGVXAUSA-N -1 3 400.500 3.740 20 0 HHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)O[C@H]2CCc3cc(F)ccc32)ccc1F ZINC001126857891 1072845067 /nfs/dbraw/zinc/84/50/67/1072845067.db2.gz MUGPBBPKRCZAPJ-KRWDZBQOSA-N -1 3 409.454 3.886 20 0 HHADHM O=C([N-]CCNC(=O)c1ccccc1F)C(F)(F)c1cc(Cl)ccc1Cl ZINC001127108217 1072998688 /nfs/dbraw/zinc/99/86/88/1072998688.db2.gz QWHIVIDCPOABAB-UHFFFAOYSA-N -1 3 405.203 3.771 20 0 HHADHM O=C([N-]C[C@@H]1Cc2ccccc2N1C(=O)c1[nH]ccc1-c1ccccc1)C(F)(F)F ZINC001142612613 1073011458 /nfs/dbraw/zinc/01/14/58/1073011458.db2.gz VVAXPVQEGBVMJB-INIZCTEOSA-N -1 3 413.399 3.932 20 0 HHADHM Cc1nc(C)c(CCC(=O)Nc2cc(C(=O)N3CCCCC3)ccc2Cl)c(=O)[n-]1 ZINC000588807447 1073265243 /nfs/dbraw/zinc/26/52/43/1073265243.db2.gz AVTFEEMHSJQKMW-UHFFFAOYSA-N -1 3 416.909 3.650 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)CC(C)(C)C)c2)cc1 ZINC000588863562 1073313243 /nfs/dbraw/zinc/31/32/43/1073313243.db2.gz BXKXXZAVFVEWIX-UHFFFAOYSA-N -1 3 404.532 3.923 20 0 HHADHM COCCCS(=O)(=O)Cc1nc(=O)c2c([n-]1)sc(C)c2-c1ccc(C)cc1 ZINC000555363593 1073373431 /nfs/dbraw/zinc/37/34/31/1073373431.db2.gz BXSNLDHKABDNCL-UHFFFAOYSA-N -1 3 406.529 3.632 20 0 HHADHM CCCCN([C@H]1CCC[C@H](C)C1)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000555423997 1073448082 /nfs/dbraw/zinc/44/80/82/1073448082.db2.gz DUYTZKHKJZZBIG-GJZGRUSLSA-N -1 3 420.572 3.567 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cnn(Cc3ccccc3)c2)c(Br)c1 ZINC000589148781 1073461870 /nfs/dbraw/zinc/46/18/70/1073461870.db2.gz DJZHCVPGLBWJRE-UHFFFAOYSA-N -1 3 422.304 3.503 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)N[C@H](c3nc(C4CC4)no3)C(C)C)cc2)cc(=O)[n-]1 ZINC000590079972 1073517616 /nfs/dbraw/zinc/51/76/16/1073517616.db2.gz QWHPUAFVKNKFAB-SFHVURJKSA-N -1 3 408.462 3.937 20 0 HHADHM CCC[C@H](Cc1ccccc1)NC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000590082207 1073519337 /nfs/dbraw/zinc/51/93/37/1073519337.db2.gz UFCFWWHHHJEJIJ-QGZVFWFLSA-N -1 3 419.547 3.990 20 0 HHADHM O=C([N-]c1nn2cnnc2s1)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c21 ZINC000590098793 1073548224 /nfs/dbraw/zinc/54/82/24/1073548224.db2.gz AQUPEZIAQRCGKT-UHFFFAOYSA-N -1 3 421.417 3.658 20 0 HHADHM Cc1nc(C)c(CC(=O)Nc2nc(-c3ccccc3OC(F)F)cs2)c(=O)[n-]1 ZINC000590116100 1073563504 /nfs/dbraw/zinc/56/35/04/1073563504.db2.gz ATLRIGMIRUHDNM-UHFFFAOYSA-N -1 3 406.414 3.705 20 0 HHADHM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)N1CC[C@@H](c2ccco2)C1 ZINC000600417494 1073864608 /nfs/dbraw/zinc/86/46/08/1073864608.db2.gz JQJYGCURTYVDFU-MRXNPFEDSA-N -1 3 414.458 3.849 20 0 HHADHM CCOC(Cc1c(=O)[n-]cnc1Nc1cccc(OCC(F)(F)F)c1)OCC ZINC001212164470 1073870033 /nfs/dbraw/zinc/87/00/33/1073870033.db2.gz RLTRYRWWEKFCOC-UHFFFAOYSA-N -1 3 401.385 3.809 20 0 HHADHM COc1ccc(Sc2ccc(NC(=O)CNC(=O)c3ccc([O-])cc3)cc2)cc1 ZINC000590512820 1073870590 /nfs/dbraw/zinc/87/05/90/1073870590.db2.gz GGUDOABFYZHMSF-UHFFFAOYSA-N -1 3 408.479 3.921 20 0 HHADHM O=C(CCC[S@](=O)c1ccc(Br)cc1)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000590558511 1073886345 /nfs/dbraw/zinc/88/63/45/1073886345.db2.gz ROGREPZCLCPALK-VWLOTQADSA-N -1 3 422.304 3.558 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(Cl)c2)c2cccnc12 ZINC000590530438 1073907887 /nfs/dbraw/zinc/90/78/87/1073907887.db2.gz ZFRYEJXIZMZSAW-UHFFFAOYSA-N -1 3 414.874 3.883 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000600609097 1074037094 /nfs/dbraw/zinc/03/70/94/1074037094.db2.gz LEYUGXHWPRNGSG-NHCUHLMSSA-N -1 3 402.498 3.525 20 0 HHADHM CCCCCOc1ccc([C@H](C)NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1OC ZINC000591098213 1074111216 /nfs/dbraw/zinc/11/12/16/1074111216.db2.gz HEMDOIMYNKDCMO-AWEZNQCLSA-N -1 3 410.470 3.639 20 0 HHADHM O=C(Nc1nc(-c2ccc(F)c(Cl)c2)cs1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000591098875 1074111777 /nfs/dbraw/zinc/11/17/77/1074111777.db2.gz DKKOMNIEIYWNGA-UHFFFAOYSA-N -1 3 401.806 3.739 20 0 HHADHM CC(C)[C@H](c1ccccc1)N(C)C(=O)C[C@@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000760593630 1074136304 /nfs/dbraw/zinc/13/63/04/1074136304.db2.gz VXWVCCBBBMVBBC-DNVCBOLYSA-N -1 3 423.966 3.648 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@H](c1ccccc1)C1CCC1 ZINC000591217487 1074176477 /nfs/dbraw/zinc/17/64/77/1074176477.db2.gz GUOXSLXGXBQBLH-QFIPXVFZSA-N -1 3 402.498 3.731 20 0 HHADHM O=c1c2c3n(c(SCc4ncccc4[O-])nc-2nn1-c1ccccc1)CCCCC3 ZINC000573188428 1074249271 /nfs/dbraw/zinc/24/92/71/1074249271.db2.gz IKIJETXUGKNWPX-UHFFFAOYSA-N -1 3 419.510 3.653 20 0 HHADHM CCc1nc(C)c(C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)s1 ZINC000591368248 1074268810 /nfs/dbraw/zinc/26/88/10/1074268810.db2.gz ZJDJTAUQXSEIKN-UHFFFAOYSA-N -1 3 407.439 3.657 20 0 HHADHM CC(C)(C)c1csc(CC[N-]S(=O)(=O)c2cc(Br)ccc2F)n1 ZINC000591398844 1074292764 /nfs/dbraw/zinc/29/27/64/1074292764.db2.gz SMQTYLCFTPSEDB-UHFFFAOYSA-N -1 3 421.357 3.863 20 0 HHADHM O=C(N[C@H](Cc1ccccc1Cl)c1ccccc1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000591447288 1074303909 /nfs/dbraw/zinc/30/39/09/1074303909.db2.gz BNNKDSLMKGTSBK-HXUWFJFHSA-N -1 3 404.853 3.937 20 0 HHADHM CS[C@@H]1CC[C@H](NC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)C1 ZINC000760839347 1074362268 /nfs/dbraw/zinc/36/22/68/1074362268.db2.gz RJIDIDRIAGWNIX-VHSXEESVSA-N -1 3 415.740 3.958 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]c2ccc(C)c(NC(=O)CN3CCCCC3)c2)ccc1F ZINC000591797212 1074545835 /nfs/dbraw/zinc/54/58/35/1074545835.db2.gz RZJDHMYKXOPSCD-UHFFFAOYSA-N -1 3 419.522 3.668 20 0 HHADHM C[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1nc2ccccc2n1C(F)F ZINC000591814417 1074591390 /nfs/dbraw/zinc/59/13/90/1074591390.db2.gz ZSRAJSGTNRBMEU-MRVPVSSYSA-N -1 3 405.348 3.888 20 0 HHADHM CCN(CCC1CC1)C(=O)c1cc(NC(=O)c2cc(OC)cc(OC)c2)ccc1[O-] ZINC000760987584 1074817239 /nfs/dbraw/zinc/81/72/39/1074817239.db2.gz NJCROFJVLIRVIR-UHFFFAOYSA-N -1 3 412.486 3.924 20 0 HHADHM COc1ccc(/C=C2\NC(=S)N(c3ccccc3F)C2=O)c(Br)c1[O-] ZINC000761015372 1075188777 /nfs/dbraw/zinc/18/87/77/1075188777.db2.gz LQURYONLWQVOBA-FLIBITNWSA-N -1 3 423.263 3.565 20 0 HHADHM C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N[C@@H](C)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000646200471 1075328834 /nfs/dbraw/zinc/32/88/34/1075328834.db2.gz FQMROWNYPCJZLT-RDBSUJKOSA-N -1 3 423.435 3.764 20 0 HHADHM COc1ccc(-n2nnc(C(=O)[N-]c3nnc(Cc4ccc(C)cc4)s3)c2C)cc1 ZINC000594572578 1075337075 /nfs/dbraw/zinc/33/70/75/1075337075.db2.gz ZGNOIDDHCBSDNO-UHFFFAOYSA-N -1 3 420.498 3.587 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NCC1(Sc2ccccc2)CC1 ZINC000597883116 1075723912 /nfs/dbraw/zinc/72/39/12/1075723912.db2.gz LVQUVQKZHNMOGO-UHFFFAOYSA-N -1 3 420.538 3.514 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(N(C)C[C@@H]3CN(CC)c4ccccc4O3)nc2)n1 ZINC000597896310 1075726383 /nfs/dbraw/zinc/72/63/83/1075726383.db2.gz NYZPSDUGWVJXJO-GOSISDBHSA-N -1 3 405.502 3.530 20 0 HHADHM CCN(CC)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)c(C)c1 ZINC000004884398 569255694 /nfs/dbraw/zinc/25/56/94/569255694.db2.gz ZYTKWRMTPGSKAM-UHFFFAOYSA-N -1 3 401.532 3.551 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC([C@@H](O)c4ccc(F)cc4)CC3)nc2)n1 ZINC000301193648 970799837 /nfs/dbraw/zinc/79/98/37/970799837.db2.gz JFDJERKPBNOVGP-QFIPXVFZSA-N -1 3 408.477 3.896 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC([C@H](O)c4ccc(F)cc4)CC3)nc2)n1 ZINC000301193647 970800220 /nfs/dbraw/zinc/80/02/20/970800220.db2.gz JFDJERKPBNOVGP-JOCHJYFZSA-N -1 3 408.477 3.896 20 0 HHADHM Cc1nc(-c2ccc(N3CCN(Cc4ccccc4Cl)CC3)nc2)[n-]c(=O)c1C ZINC000301727438 971043852 /nfs/dbraw/zinc/04/38/52/971043852.db2.gz VTSKQADVUOAXSU-UHFFFAOYSA-N -1 3 409.921 3.837 20 0 HHADHM O=C(c1ccccc1[O-])N1CCN(c2ccc3cccc(Br)c3n2)CC1 ZINC000301887743 971099777 /nfs/dbraw/zinc/09/97/77/971099777.db2.gz RCOCITLHZOOERC-UHFFFAOYSA-N -1 3 412.287 3.665 20 0 HHADHM O=C(c1ccc([O-])cc1)N1CCN(c2nnc(-c3ccccc3Cl)s2)CC1 ZINC000302677879 971277031 /nfs/dbraw/zinc/27/70/31/971277031.db2.gz VGAGHGZHWGQNIS-UHFFFAOYSA-N -1 3 400.891 3.527 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3CCN(c4c(C)cc(C)cc4C)C3=O)nc2)n1 ZINC000302782901 971317542 /nfs/dbraw/zinc/31/75/42/971317542.db2.gz SXPOWWDFCFAPBQ-IBGZPJMESA-N -1 3 417.513 3.949 20 0 HHADHM Cc1nc(-c2ccc(N3CCN([C@H](C)c4cccc(F)c4)CC3)nc2)[n-]c(=O)c1C ZINC000302805927 971327277 /nfs/dbraw/zinc/32/72/77/971327277.db2.gz WWBYORWZFNUGSM-QGZVFWFLSA-N -1 3 407.493 3.883 20 0 HHADHM Cc1nc(-c2ccc(N[C@@H]3CCN(C)[C@H]3c3ccc(F)c(F)c3)nc2)[n-]c(=O)c1C ZINC000302828639 971338475 /nfs/dbraw/zinc/33/84/75/971338475.db2.gz OLACTGSJJWYYHX-QUCCMNQESA-N -1 3 411.456 3.997 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 ZINC000553115136 1013078556 /nfs/dbraw/zinc/07/85/56/1013078556.db2.gz DZQQORZWLWJPDY-GOSISDBHSA-N -1 3 417.481 3.885 20 0 HHADHM O=S(=O)([N-]Cc1cccc(Br)c1)c1cc(Br)ccc1F ZINC000303009193 971451043 /nfs/dbraw/zinc/45/10/43/971451043.db2.gz JNBVKQSPNXHSMA-UHFFFAOYSA-N -1 3 423.101 3.829 20 0 HHADHM O=S(=O)([N-]CC1CCN(Cc2ccccc2Cl)CC1)c1cc(F)ccc1F ZINC000303356069 971654515 /nfs/dbraw/zinc/65/45/15/971654515.db2.gz ZLSDYLQBPDXAKT-UHFFFAOYSA-N -1 3 414.905 3.809 20 0 HHADHM CCC[C@H]1CCc2nc([N-]C(=O)c3sccc3S(=O)(=O)N(C)C)sc2C1 ZINC000303491133 971789361 /nfs/dbraw/zinc/78/93/61/971789361.db2.gz PZMLYXKFQWXDMF-NSHDSACASA-N -1 3 413.590 3.612 20 0 HHADHM O=C(NCCCO[C@@H]1CCCc2ccccc21)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000303556818 971852358 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Cc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)c(O)c1 ZINC000015922981 962896905 /nfs/dbraw/zinc/89/69/05/962896905.db2.gz MFAOGRXVTPSUHL-UHFFFAOYSA-N -1 3 400.431 3.893 20 0 HHADHM COC(=O)c1cc(Br)ccc1S(=O)(=O)[N-]c1ccc(C)cc1Cl ZINC000016124990 962953671 /nfs/dbraw/zinc/95/36/71/962953671.db2.gz XYVANHNKZJWNOO-UHFFFAOYSA-N -1 3 418.696 3.998 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(Cl)c2)cc1NC(C)=O ZINC000016151633 962964906 /nfs/dbraw/zinc/96/49/06/962964906.db2.gz MXDCRHTUQSEUMD-UHFFFAOYSA-N -1 3 420.821 3.709 20 0 HHADHM COCCOC(=O)c1sc2[n-]c(C(Cl)=Cc3ccc(O)cc3)nc(=O)c2c1C ZINC000016387305 963028825 /nfs/dbraw/zinc/02/88/25/963028825.db2.gz QNYBEOUIPVECSU-LCYFTJDESA-N -1 3 420.874 3.951 20 0 HHADHM C[C@@H]1CCN(C(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC12CCC2 ZINC000537831929 1013395602 /nfs/dbraw/zinc/39/56/02/1013395602.db2.gz UFWQZZFRIQYBBN-CYBMUJFWSA-N -1 3 419.374 3.701 20 0 HHADHM O=S(=O)([N-]c1ccc(OCc2ccccn2)c(F)c1)c1ccc2c(c1)CCCO2 ZINC000537839153 1013399981 /nfs/dbraw/zinc/39/99/81/1013399981.db2.gz YIWWOSDZTKIDDL-UHFFFAOYSA-N -1 3 414.458 3.926 20 0 HHADHM COc1cc(Br)c(S(=O)(=O)[N-]c2ccc(C)cc2F)cc1OC ZINC000017319753 963187059 /nfs/dbraw/zinc/18/70/59/963187059.db2.gz FNEZYFPKLZMVEC-UHFFFAOYSA-N -1 3 404.257 3.715 20 0 HHADHM Cc1ccccc1CCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000018832537 963335522 /nfs/dbraw/zinc/33/55/22/963335522.db2.gz DYNRZRSHESRXQT-UHFFFAOYSA-N -1 3 412.486 3.907 20 0 HHADHM O=S(=O)([N-][C@H](c1ccccc1)[C@H]1CCOC1)c1cc(F)ccc1Br ZINC000537869061 1013443009 /nfs/dbraw/zinc/44/30/09/1013443009.db2.gz REIPFTAKFNZQAX-SUMWQHHRSA-N -1 3 414.296 3.644 20 0 HHADHM O=C(Nc1ccc(F)c(F)c1)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000023143011 963773881 /nfs/dbraw/zinc/77/38/81/963773881.db2.gz TZIIMPJORIAHMT-UHFFFAOYSA-N -1 3 421.252 3.965 20 0 HHADHM Cc1ccc(CN(C)C(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000023602241 963858605 /nfs/dbraw/zinc/85/86/05/963858605.db2.gz HRLVALAIVVZYJL-UHFFFAOYSA-N -1 3 415.342 3.629 20 0 HHADHM O=S(=O)([N-]CC1(C(F)(F)F)CC1)c1cc(Br)cc2cccnc21 ZINC000553557336 1013453772 /nfs/dbraw/zinc/45/37/72/1013453772.db2.gz BQVFGLSMGFKDNI-UHFFFAOYSA-N -1 3 409.227 3.618 20 0 HHADHM COc1ccc([C@H](C[N-]S(=O)(=O)c2ccc(Cl)s2)N2CCCC2)cc1 ZINC000023994241 963917126 /nfs/dbraw/zinc/91/71/26/963917126.db2.gz UGMWVIZGEOHUCL-HNNXBMFYSA-N -1 3 400.953 3.526 20 0 HHADHM COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000024557956 964019957 /nfs/dbraw/zinc/01/99/57/964019957.db2.gz VSYTVDXBJIIACM-UHFFFAOYSA-N -1 3 420.506 3.825 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2c3ccc(F)cc3O[C@H]2C)s1 ZINC000553571699 1013469000 /nfs/dbraw/zinc/46/90/00/1013469000.db2.gz NLCVTAWCGIZHPK-SDBXPKJASA-N -1 3 406.298 3.759 20 0 HHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccc(NC(=O)c2cccs2)cc1 ZINC000024888264 964101628 /nfs/dbraw/zinc/10/16/28/964101628.db2.gz IYDIHKZHDTZCNY-UHFFFAOYSA-N -1 3 415.496 3.624 20 0 HHADHM Cc1ccc(-c2nc(CC(=O)Nc3ccccc3[N-]S(C)(=O)=O)cs2)cc1 ZINC000024891407 964102797 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402.498 3.575 20 0 HHADHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)NC[C@@H]3CCCO3)cc2)cc1 ZINC000041970506 966677233 /nfs/dbraw/zinc/67/72/33/966677233.db2.gz MQPXDAULSKXONV-IBGZPJMESA-N -1 3 417.531 3.740 20 0 HHADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-][C@H]1C[C@H]1c1ccccc1 ZINC000063186873 966772809 /nfs/dbraw/zinc/77/28/09/966772809.db2.gz KMGQCZQELZEOGT-JSGCOSHPSA-N -1 3 416.724 3.946 20 0 HHADHM COc1ccccc1CNC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000043001958 966886119 /nfs/dbraw/zinc/88/61/19/966886119.db2.gz PAIQNVJXCJKAFK-UHFFFAOYSA-N -1 3 417.893 3.615 20 0 HHADHM CCCCOCCCNC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000043038903 966890705 /nfs/dbraw/zinc/89/07/05/966890705.db2.gz HAEVGMAVZBSXCJ-UHFFFAOYSA-N -1 3 411.930 3.613 20 0 HHADHM O[C@H](COc1ccc2c(c1)OCO2)CSc1nnc([N-]c2ccccc2F)s1 ZINC000063651258 966918583 /nfs/dbraw/zinc/91/85/83/966918583.db2.gz DUZIIAHQYBXTBC-LLVKDONJSA-N -1 3 421.475 3.682 20 0 HHADHM CCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C)cc1 ZINC000063849016 966976506 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HHADHM O=C(OCc1ccc(Cl)c2cccnc12)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000046332608 967744806 /nfs/dbraw/zinc/74/48/06/967744806.db2.gz QUCRWWZBAJAKJO-GOSISDBHSA-N -1 3 410.857 3.942 20 0 HHADHM CSc1ccc2cc(COC(=O)Cc3c(C)nc(C)[n-]c3=O)c(Cl)nc2c1 ZINC000046416246 967791060 /nfs/dbraw/zinc/79/10/60/967791060.db2.gz JUAYGZSBYJBKGZ-UHFFFAOYSA-N -1 3 403.891 3.596 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)OCc1nnsc1Cl ZINC000046451951 967807085 /nfs/dbraw/zinc/80/70/85/967807085.db2.gz JQVGTFONRKPFSX-OAHLLOKOSA-N -1 3 417.874 3.502 20 0 HHADHM C[C@H]1CC[C@]2(CCN(C(=O)c3cc(S(=O)(=O)[N-]c4ccccc4F)c[nH]3)C2)C1 ZINC000542906056 1013747895 /nfs/dbraw/zinc/74/78/95/1013747895.db2.gz NWVSRJONFCKOPB-XOBRGWDASA-N -1 3 405.495 3.607 20 0 HHADHM Cc1ccc(F)cc1C(=O)C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000542921464 1013758140 /nfs/dbraw/zinc/75/81/40/1013758140.db2.gz RDRWSEDJGDGSFP-UHFFFAOYSA-N -1 3 418.852 3.553 20 0 HHADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OC2(CCCC2)O3)cc1C ZINC000047585306 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CCCc1nnc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)s1 ZINC000105595151 969249550 /nfs/dbraw/zinc/24/95/50/969249550.db2.gz XSYXUDWUJZKXPD-UHFFFAOYSA-N -1 3 420.491 3.683 20 0 HHADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CC(C)C)cc2)cc1C ZINC000106089558 969288663 /nfs/dbraw/zinc/28/86/63/969288663.db2.gz OULPGKVKIRQVOZ-UHFFFAOYSA-N -1 3 420.531 3.806 20 0 HHADHM CCN(Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1)[C@@H](C)c1ccc(F)cc1 ZINC000108122595 969359460 /nfs/dbraw/zinc/35/94/60/969359460.db2.gz UQZRFOUGMMSSLD-LBPRGKRZSA-N -1 3 403.479 3.802 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)CSCc2cccc(C)c2)cc1OC ZINC000108545254 969392692 /nfs/dbraw/zinc/39/26/92/969392692.db2.gz RSDKBEWEKRLGEQ-UHFFFAOYSA-N -1 3 408.545 3.637 20 0 HHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000109127723 969466574 /nfs/dbraw/zinc/46/65/74/969466574.db2.gz LFCZCCRJTYRIDX-JLHYYAGUSA-N -1 3 420.918 3.697 20 0 HHADHM Cc1nc(C2([N-]S(=O)(=O)c3ccccc3OC(F)F)CCCCCC2)no1 ZINC000110248184 969642810 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419.355 3.601 20 0 HHADHM CC(C)C[C@@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000116462668 969897193 /nfs/dbraw/zinc/89/71/93/969897193.db2.gz MZTSKGQBEFXVTD-CQSZACIVSA-N -1 3 400.953 3.583 20 0 HHADHM CCc1cc(C#N)c([N-]C(=O)c2cc(S(=O)(=O)N(C)C(C)C)ccc2F)s1 ZINC000117594595 969958990 /nfs/dbraw/zinc/95/89/90/969958990.db2.gz ZUBODQANLSWLOU-UHFFFAOYSA-N -1 3 409.508 3.602 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@H]2CCc3cc(C)ccc32)cc1OC ZINC000139070921 970020668 /nfs/dbraw/zinc/02/06/68/970020668.db2.gz SNBSLIVHAMEZRJ-KRWDZBQOSA-N -1 3 403.504 3.574 20 0 HHADHM CCN(CC)Cc1nc(C2(NCc3cc(Br)ccc3[O-])CCCC2)no1 ZINC000236943020 970192176 /nfs/dbraw/zinc/19/21/76/970192176.db2.gz GLMNLWQTBTWYKI-UHFFFAOYSA-N -1 3 423.355 3.939 20 0 HHADHM CN(C)CCN(CC(=O)[O-])C(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000237141723 970230046 /nfs/dbraw/zinc/23/00/46/970230046.db2.gz QIKMCABGXBLBHR-UHFFFAOYSA-N -1 3 401.315 3.810 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N(C)[C@@H]2CCCc3ccccc32)cc1OC ZINC000144594828 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HHADHM O=C(Nc1ccc(Cc2ccncc2)cc1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000195629748 970571695 /nfs/dbraw/zinc/57/16/95/970571695.db2.gz HEYDLLBQHTUENK-OAQYLSRUSA-N -1 3 401.466 3.621 20 0 HHADHM Cn1ccnc1COc1ccc(CN2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000261373191 970631164 /nfs/dbraw/zinc/63/11/64/970631164.db2.gz CNTSBVQOMMZTHS-UHFFFAOYSA-N -1 3 405.498 3.800 20 0 HHADHM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1ccc(Br)s1)C(=O)OC(C)(C)C ZINC000316829197 972652187 /nfs/dbraw/zinc/65/21/87/972652187.db2.gz KLWWTDYAXOMLJV-CABZTGNLSA-N -1 3 412.371 3.545 20 0 HHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)Nc1ccc(OC(F)F)cc1F ZINC000554815754 1014056240 /nfs/dbraw/zinc/05/62/40/1014056240.db2.gz DHLPOXFFOOBLEC-UHFFFAOYSA-N -1 3 418.375 3.864 20 0 HHADHM CN(C(=O)c1ccc(Br)c([O-])c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000388398924 972805443 /nfs/dbraw/zinc/80/54/43/972805443.db2.gz UUXZCLRXCQCAOU-KRWDZBQOSA-N -1 3 403.320 3.891 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)NCc3ccc(-n4ccnc4)c(F)c3)cc2)cc(=O)[n-]1 ZINC000409505897 972959430 /nfs/dbraw/zinc/95/94/30/972959430.db2.gz ZRTFZZMGTTXXSC-UHFFFAOYSA-N -1 3 418.432 3.804 20 0 HHADHM Cc1nc(-c2ccc(N3CCC[C@@H](c4ncc5n4CCCC5)C3)nc2)[n-]c(=O)c1C ZINC000409635605 973083515 /nfs/dbraw/zinc/08/35/15/973083515.db2.gz MUKPFEDOAAIXAC-GOSISDBHSA-N -1 3 404.518 3.778 20 0 HHADHM Cc1nc(NC(=O)CCCc2ccc([O-])c(F)c2)ccc1I ZINC000410008656 973487663 /nfs/dbraw/zinc/48/76/63/973487663.db2.gz DIHCLJFCMUMFKD-UHFFFAOYSA-N -1 3 414.218 3.801 20 0 HHADHM Cc1cccc2oc(CC[N-]S(=O)(=O)c3cc(Br)ccc3F)nc21 ZINC000410324503 973878593 /nfs/dbraw/zinc/87/85/93/973878593.db2.gz SHZLDUSNUSUNHL-UHFFFAOYSA-N -1 3 413.268 3.559 20 0 HHADHM COC(=O)[C@@H](c1ccsc1)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000410419346 974017096 /nfs/dbraw/zinc/01/70/96/974017096.db2.gz GFKNRQNQVRMDFJ-QGZVFWFLSA-N -1 3 408.907 3.672 20 0 HHADHM Cc1ccc(-c2ccnn2C)cc1[N-]S(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000410420008 974017908 /nfs/dbraw/zinc/01/79/08/974017908.db2.gz QRHHVKOJQPMLDB-UHFFFAOYSA-N -1 3 407.442 3.840 20 0 HHADHM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2F)c1 ZINC000410422686 974020757 /nfs/dbraw/zinc/02/07/57/974020757.db2.gz YUTJVWHJXATKBH-UHFFFAOYSA-N -1 3 412.291 3.727 20 0 HHADHM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3cc(Cl)c(Cl)cc3F)cc21 ZINC000410424738 974021931 /nfs/dbraw/zinc/02/19/31/974021931.db2.gz UDZQCDQYLWOSPU-UHFFFAOYSA-N -1 3 403.262 3.842 20 0 HHADHM Cc1nc(C)n(Cc2cccc([N-]S(=O)(=O)c3ccc(OC(C)C)c(C)c3)c2)n1 ZINC000426009872 974126802 /nfs/dbraw/zinc/12/68/02/974126802.db2.gz ZHXQYLZRHXVYIZ-UHFFFAOYSA-N -1 3 414.531 3.840 20 0 HHADHM COc1cc(Cl)c(NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)cc1C ZINC000426018677 974138424 /nfs/dbraw/zinc/13/84/24/974138424.db2.gz PYKGUCMTDHMCNE-UHFFFAOYSA-N -1 3 412.877 3.682 20 0 HHADHM O=C([N-]c1nnc(Cc2ccc(Cl)cc2)s1)c1cn(Cc2ccccc2)nn1 ZINC000426277919 974365354 /nfs/dbraw/zinc/36/53/54/974365354.db2.gz NZDGVCKUMLKBNQ-UHFFFAOYSA-N -1 3 410.890 3.674 20 0 HHADHM Cc1ccc(-n2cc(C(=O)[N-]c3nnc(Cc4ccc(Cl)cc4)s3)nn2)cc1 ZINC000426303236 974383759 /nfs/dbraw/zinc/38/37/59/974383759.db2.gz XAXVZLKHOSTICO-UHFFFAOYSA-N -1 3 410.890 3.924 20 0 HHADHM O=C([O-])[C@H](CNCc1cc(Cl)ccc1OC[C@H]1CCCO1)Oc1ccc(F)cc1 ZINC000426626456 974570477 /nfs/dbraw/zinc/57/04/77/974570477.db2.gz AHIUWWTXXHEPIZ-QUCCMNQESA-N -1 3 423.868 3.659 20 0 HHADHM COc1ccccc1C[C@@H](CNCc1csc(-c2ccc(F)cc2)n1)C(=O)[O-] ZINC000426627981 974570941 /nfs/dbraw/zinc/57/09/41/974570941.db2.gz JGRGXUYAJJHYDP-INIZCTEOSA-N -1 3 400.475 3.991 20 0 HHADHM O=C([O-])[C@H](CNCc1ccc(Cl)cc1Br)Oc1ccc(F)cc1 ZINC000426642985 974578806 /nfs/dbraw/zinc/57/88/06/974578806.db2.gz MAKRIHBXPGFXKL-HNNXBMFYSA-N -1 3 402.647 3.863 20 0 HHADHM O=C([O-])[C@@H](CNCc1cn(-c2ccc(F)c(Cl)c2)nn1)Cc1ccccc1Cl ZINC000426705451 974607006 /nfs/dbraw/zinc/60/70/06/974607006.db2.gz WNGXOAVPSDMFSL-CYBMUJFWSA-N -1 3 423.275 3.746 20 0 HHADHM O=C([O-])[C@@H](CSCCOc1ccccc1)NCc1cc(Cl)cc2c1OCC2 ZINC000426722323 974616215 /nfs/dbraw/zinc/61/62/15/974616215.db2.gz HGTCWPHUXGKUTD-GOSISDBHSA-N -1 3 407.919 3.630 20 0 HHADHM O=C([O-])CC[C@H](Cc1ccccc1)NCc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000426725995 974618006 /nfs/dbraw/zinc/61/80/06/974618006.db2.gz GJVSBVMBVOPBSG-MRXNPFEDSA-N -1 3 402.857 3.626 20 0 HHADHM O=C([O-])[C@H](CN1CCCCC1)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000426742503 974629055 /nfs/dbraw/zinc/62/90/55/974629055.db2.gz PPCFPPMYIGVPLS-INIZCTEOSA-N -1 3 413.465 3.858 20 0 HHADHM C[C@]1(C(=O)[O-])CCCC[C@@H]1NCc1ncc(Br)cc1Br ZINC000426755929 974637481 /nfs/dbraw/zinc/63/74/81/974637481.db2.gz GVWZXRPUVJJUKC-JSGCOSHPSA-N -1 3 406.118 3.730 20 0 HHADHM Cc1cc(C)cc([C@H](NCc2cc(Br)c3c(c2)OCCO3)C(=O)[O-])c1 ZINC000426759090 974638898 /nfs/dbraw/zinc/63/88/98/974638898.db2.gz KYOQLUNHJYZVTA-KRWDZBQOSA-N -1 3 406.276 3.753 20 0 HHADHM Cc1nn(-c2cccc(Cl)c2)c(C)c1[C@@H](NCc1ccc2c(c1)ncn2C)C(=O)[O-] ZINC000426798974 974668521 /nfs/dbraw/zinc/66/85/21/974668521.db2.gz KDSWIWAZTNJPCB-OAQYLSRUSA-N -1 3 423.904 3.945 20 0 HHADHM O=C([O-])[C@@H](NCc1ccc(OC[C@H]2CCCO2)cc1)c1ccc(Br)cc1 ZINC000426805125 974673397 /nfs/dbraw/zinc/67/33/97/974673397.db2.gz ZDCDQKXTHOGVKW-MOPGFXCFSA-N -1 3 420.303 3.922 20 0 HHADHM O=C(NCCc1c[nH]c2cccc(Br)c12)c1cc(=O)c2ccccc2[n-]1 ZINC000426835970 974700430 /nfs/dbraw/zinc/70/04/30/974700430.db2.gz SGAIKZMCVIGZAB-UHFFFAOYSA-N -1 3 410.271 3.744 20 0 HHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1ccc(Sc2ccccc2Cl)nn1 ZINC000427066219 974871779 /nfs/dbraw/zinc/87/17/79/974871779.db2.gz DBZWYSXOLGJVMP-UHFFFAOYSA-N -1 3 423.889 3.637 20 0 HHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1ccc(Sc2ccccc2Cl)nn1 ZINC000427066219 974871784 /nfs/dbraw/zinc/87/17/84/974871784.db2.gz DBZWYSXOLGJVMP-UHFFFAOYSA-N -1 3 423.889 3.637 20 0 HHADHM Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000427075662 974881078 /nfs/dbraw/zinc/88/10/78/974881078.db2.gz WYOFGBPSGAQSNQ-UHFFFAOYSA-N -1 3 421.892 3.558 20 0 HHADHM Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000427075662 974881084 /nfs/dbraw/zinc/88/10/84/974881084.db2.gz WYOFGBPSGAQSNQ-UHFFFAOYSA-N -1 3 421.892 3.558 20 0 HHADHM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccnc(N3CCc4ccccc4C3)c2)cc1 ZINC000427634340 975218307 /nfs/dbraw/zinc/21/83/07/975218307.db2.gz RWHNUPJSAYYXSE-UHFFFAOYSA-N -1 3 407.495 3.648 20 0 HHADHM Cc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000427795861 975293241 /nfs/dbraw/zinc/29/32/41/975293241.db2.gz GGCFQCXYTUWPQS-UHFFFAOYSA-N -1 3 406.401 3.895 20 0 HHADHM COc1ccccc1[C@H]([N-]S(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccco1 ZINC000427810124 975302489 /nfs/dbraw/zinc/30/24/89/975302489.db2.gz XTGVASBVPBPMSA-NRFANRHFSA-N -1 3 415.467 3.517 20 0 HHADHM Cc1nc(-c2ccc(C)cc2)c(CC(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)s1 ZINC000427875039 975330300 /nfs/dbraw/zinc/33/03/00/975330300.db2.gz SFPFAECHPBXGDS-UHFFFAOYSA-N -1 3 422.510 3.504 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cnc(C)c(Cl)c2Cl)cc1OC ZINC000427902066 975340600 /nfs/dbraw/zinc/34/06/00/975340600.db2.gz MJWMHEFDASLQAR-UHFFFAOYSA-N -1 3 418.302 3.719 20 0 HHADHM COC(=O)c1cc(C)nc2nc(S[C@H](C)c3nnc(-c4ccccc4)o3)[n-]c(=O)c21 ZINC000428268119 975582514 /nfs/dbraw/zinc/58/25/14/975582514.db2.gz PRCAAFPXFXPJTD-LLVKDONJSA-N -1 3 423.454 3.729 20 0 HHADHM O=S(=O)([N-]C[C@@]1(CO)C[C@H]1c1ccc(F)cc1)c1c(Cl)cccc1Cl ZINC000428368454 975688263 /nfs/dbraw/zinc/68/82/63/975688263.db2.gz DJGJNEUFLLSESU-SUMWQHHRSA-N -1 3 404.290 3.577 20 0 HHADHM CC(C)C1(C)CCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)CC1 ZINC000428431807 975745996 /nfs/dbraw/zinc/74/59/96/975745996.db2.gz NJGOWUQGNUWHAM-UHFFFAOYSA-N -1 3 407.511 3.853 20 0 HHADHM Cc1nc(C)c(CCC(=O)N[C@H]2c3cc(Br)ccc3CC2(C)C)c(=O)[n-]1 ZINC000429220312 976514281 /nfs/dbraw/zinc/51/42/81/976514281.db2.gz NQHQCTPLAMFRDM-SFHVURJKSA-N -1 3 418.335 3.934 20 0 HHADHM C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C1CCN(CC(F)(F)F)CC1 ZINC000429331525 976595905 /nfs/dbraw/zinc/59/59/05/976595905.db2.gz RGCCWSBIMBEPJC-SNVBAGLBSA-N -1 3 419.296 3.935 20 0 HHADHM O=C(Cc1cccc(N2CCCC2=O)c1)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000429515560 976772342 /nfs/dbraw/zinc/77/23/42/976772342.db2.gz BRMYWPUFZOMXDX-UHFFFAOYSA-N -1 3 401.426 3.526 20 0 HHADHM Cc1ncc(CNC(=O)Nc2ccnn2[C@H](C)c2cc(Cl)ccc2Cl)c(=O)[n-]1 ZINC000429712940 977005452 /nfs/dbraw/zinc/00/54/52/977005452.db2.gz COWCAPHIQXIMFC-SNVBAGLBSA-N -1 3 421.288 3.925 20 0 HHADHM O=S(=O)([N-]CCc1ccc2c(c1)CCO2)c1cc(Cl)ccc1Br ZINC000429826505 977096783 /nfs/dbraw/zinc/09/67/83/977096783.db2.gz GMJYDRXFAQLTFY-UHFFFAOYSA-N -1 3 416.724 3.558 20 0 HHADHM O=S(=O)([N-][C@@H](Cc1ccccc1)[C@H](O)C(F)F)c1ccc(Cl)cc1Cl ZINC000429827970 977097772 /nfs/dbraw/zinc/09/77/72/977097772.db2.gz LILZAXPIZCOFRX-ZFWWWQNUSA-N -1 3 410.269 3.509 20 0 HHADHM O=C(C[N-]S(=O)(=O)c1cc(Cl)ccc1Br)c1ccccc1Cl ZINC000429905854 977182126 /nfs/dbraw/zinc/18/21/26/977182126.db2.gz WFWSQYNWHZFBTG-UHFFFAOYSA-N -1 3 423.115 3.917 20 0 HHADHM C[C@@]1(C[N-]S(=O)(=O)c2cc(Cl)ccc2Br)CCO[C@@H]1C1CC1 ZINC000429908840 977183861 /nfs/dbraw/zinc/18/38/61/977183861.db2.gz KFZBMPQCJDPAII-CABCVRRESA-N -1 3 408.745 3.586 20 0 HHADHM NC(=O)CSc1ccccc1[N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000430082156 977311556 /nfs/dbraw/zinc/31/15/56/977311556.db2.gz SHRGCPYURBYAHI-UHFFFAOYSA-N -1 3 405.328 3.513 20 0 HHADHM C[C@@H]1C[C@H]1c1cc(NC(=O)c2c[n-]c3ccc(Oc4ccccc4)cc3c2=O)n[nH]1 ZINC000430632485 977661892 /nfs/dbraw/zinc/66/18/92/977661892.db2.gz YKBRGZQCUPGQPK-CZUORRHYSA-N -1 3 400.438 4.419 20 0 HHADHM O=C(NCCOC1CCCC1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430659341 977672510 /nfs/dbraw/zinc/67/25/10/977672510.db2.gz ZKYOSAGODHDCSZ-UHFFFAOYSA-N -1 3 413.699 3.633 20 0 HHADHM Cc1nc(-c2ccc(N3C(=O)N[C@H](c4ccc(Cl)c(F)c4)C3=O)cc2)cc(=O)[n-]1 ZINC000430929531 977893509 /nfs/dbraw/zinc/89/35/09/977893509.db2.gz OWMFCDJGJHEIFT-GOSISDBHSA-N -1 3 412.808 3.748 20 0 HHADHM Cc1nc(-c2ccc(N3C(=O)[C@@H](Cc4ccccc4)N(C4CC4)C3=O)cc2)cc(=O)[n-]1 ZINC000430936776 977900416 /nfs/dbraw/zinc/90/04/16/977900416.db2.gz WVDPVEYFNLAWJI-OAQYLSRUSA-N -1 3 414.465 3.700 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]C[C@H](C[C@H](C)O)c2ccccc2)sc1Br ZINC000431282396 978168343 /nfs/dbraw/zinc/16/83/43/978168343.db2.gz JZMGKEOVEAJNGM-JSGCOSHPSA-N -1 3 418.378 3.652 20 0 HHADHM Cc1nc(C)c(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3F)c2)o1 ZINC000431533941 978350040 /nfs/dbraw/zinc/35/00/40/978350040.db2.gz VURRWJGAQMMRID-UHFFFAOYSA-N -1 3 403.435 3.792 20 0 HHADHM C[C@@H]([N-]S(=O)(=O)c1cccc2cccnc21)c1noc(-c2ccc(Cl)cc2)n1 ZINC000431913367 978596440 /nfs/dbraw/zinc/59/64/40/978596440.db2.gz UGFPPSQRUNLXGW-GFCCVEGCSA-N -1 3 414.874 3.978 20 0 HHADHM Cc1cc([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)ccc1OCC(F)(F)F ZINC000432181318 978703024 /nfs/dbraw/zinc/70/30/24/978703024.db2.gz AFHMAHVOVLYSAV-UHFFFAOYSA-N -1 3 412.389 3.578 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)cc1Cc1ccccc1 ZINC000432182110 978703432 /nfs/dbraw/zinc/70/34/32/978703432.db2.gz KACJELMGLSMRDK-UHFFFAOYSA-N -1 3 420.490 3.928 20 0 HHADHM COC(=O)c1ccc(S(=O)(=O)[N-]CC[C@@H](c2ccccc2)C(F)(F)F)cc1F ZINC000432273145 978738441 /nfs/dbraw/zinc/73/84/41/978738441.db2.gz XQZBJUIRDYQNFZ-HNNXBMFYSA-N -1 3 419.396 3.627 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCCC2CC(OC(C)(C)C)C2)c1 ZINC000432278183 978740720 /nfs/dbraw/zinc/74/07/20/978740720.db2.gz YEJWZVWNLIVGFA-UHFFFAOYSA-N -1 3 415.490 3.655 20 0 HHADHM O=S(=O)([N-]CC[C@@H](c1ccccc1)C(F)(F)F)c1cncc(Br)c1 ZINC000432278618 978741188 /nfs/dbraw/zinc/74/11/88/978741188.db2.gz ARMDHJWJGQGENQ-AWEZNQCLSA-N -1 3 423.254 3.859 20 0 HHADHM CN(C)[C@@H]1CCOc2c([N-]S(=O)(=O)c3cccc(C(F)(F)F)c3)cccc21 ZINC000432469109 978830554 /nfs/dbraw/zinc/83/05/54/978830554.db2.gz MYEPXVOFAMZHHN-MRXNPFEDSA-N -1 3 400.422 3.891 20 0 HHADHM CN(C)[C@@H]1CCOc2c([N-]S(=O)(=O)c3ccc4c5c(cccc53)C(=O)N4)cccc21 ZINC000432486012 978841679 /nfs/dbraw/zinc/84/16/79/978841679.db2.gz QLGDAOVIAWBMAE-GOSISDBHSA-N -1 3 423.494 3.592 20 0 HHADHM COc1cc(C)ccc1-c1noc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000432529322 978867367 /nfs/dbraw/zinc/86/73/67/978867367.db2.gz CUSJGUSUPWWMLR-GFCCVEGCSA-N -1 3 407.879 3.747 20 0 HHADHM C[C@@H]1CC2(CCC2)CN1C(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000432603740 978908957 /nfs/dbraw/zinc/90/89/57/978908957.db2.gz WPLUZVVJSDKPGR-LLVKDONJSA-N -1 3 422.266 3.537 20 0 HHADHM COC(=O)c1cnc(SCC(=O)NCCc2c(C)cc(C(C)(C)C)cc2C)[n-]1 ZINC000432669866 978930841 /nfs/dbraw/zinc/93/08/41/978930841.db2.gz MZLYMTYNRGURSS-UHFFFAOYSA-N -1 3 403.548 3.562 20 0 HHADHM COC(=O)c1cnc(SCC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)[n-]1 ZINC000432670277 978930885 /nfs/dbraw/zinc/93/08/85/978930885.db2.gz RTOXQMMFSLXXQF-KRWDZBQOSA-N -1 3 401.532 3.950 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cc(OC)c(OC)c(OC)c2)cc1C(C)C ZINC000432763452 978964692 /nfs/dbraw/zinc/96/46/92/978964692.db2.gz OXCPSAHFSLMEQE-UHFFFAOYSA-N -1 3 409.504 3.954 20 0 HHADHM Cc1cc(C(=O)N2CCC(C)CC2)ccc1[N-]S(=O)(=O)c1ccc(N(C)C)cc1 ZINC000432768734 978967871 /nfs/dbraw/zinc/96/78/71/978967871.db2.gz MMJNVUQQIYZBPO-UHFFFAOYSA-N -1 3 415.559 3.734 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3ccc(=O)n(C)c3c2)cc1C(C)C ZINC000432782142 978973132 /nfs/dbraw/zinc/97/31/32/978973132.db2.gz VQYAMURAFSPMRO-UHFFFAOYSA-N -1 3 400.500 3.780 20 0 HHADHM COC(=O)c1sc2[n-]c(CN3CC[C@@H](c4cccc(Cl)c4)C3)nc(=O)c2c1C ZINC000433302617 979224993 /nfs/dbraw/zinc/22/49/93/979224993.db2.gz JJSDVWTVISFOCH-CYBMUJFWSA-N -1 3 417.918 3.723 20 0 HHADHM O=S(=O)([N-][C@@H]1CCOC2(CCSCC2)C1)c1csc(-c2ccccc2)n1 ZINC000433409731 979283062 /nfs/dbraw/zinc/28/30/62/979283062.db2.gz KYMOCTRINJZDFN-OAHLLOKOSA-N -1 3 410.586 3.533 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)Nc3cc(F)cc(Cl)c3)c2)[n-]1 ZINC000433599537 979415781 /nfs/dbraw/zinc/41/57/81/979415781.db2.gz MRRACTRHYNKFHE-UHFFFAOYSA-N -1 3 417.828 3.763 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)Nc3cc(F)cc(Cl)c3)c2)n[n-]1 ZINC000433599537 979415785 /nfs/dbraw/zinc/41/57/85/979415785.db2.gz MRRACTRHYNKFHE-UHFFFAOYSA-N -1 3 417.828 3.763 20 0 HHADHM CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)CC)c2)cc1 ZINC000433607397 979420944 /nfs/dbraw/zinc/42/09/44/979420944.db2.gz WRHKGJWYAGAUHG-UHFFFAOYSA-N -1 3 424.544 3.622 20 0 HHADHM Cc1ncc(CNC(=O)Nc2ccc(-c3csc(C(F)(F)F)n3)cc2)c(=O)[n-]1 ZINC000433788723 979574791 /nfs/dbraw/zinc/57/47/91/979574791.db2.gz AJPMLAOHIBDQAM-UHFFFAOYSA-N -1 3 409.393 3.955 20 0 HHADHM Cc1csc(CCCC[N-]S(=O)(=O)c2cc(C)c(Br)s2)n1 ZINC000433835901 979614562 /nfs/dbraw/zinc/61/45/62/979614562.db2.gz JRNNALALTOUEJQ-UHFFFAOYSA-N -1 3 409.396 3.885 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(Oc3ccncc3)c(Cl)c2)c(C)o1 ZINC000433958706 979716437 /nfs/dbraw/zinc/71/64/37/979716437.db2.gz IKQLPIPPZJWRQZ-UHFFFAOYSA-N -1 3 421.862 3.589 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)N[C@H](c3ccccc3)C(C)C)c2)[n-]1 ZINC000433986178 979736040 /nfs/dbraw/zinc/73/60/40/979736040.db2.gz QXMNIYWYHLSWJM-IBGZPJMESA-N -1 3 421.501 3.845 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)N[C@H](c3ccccc3)C(C)C)c2)n[n-]1 ZINC000433986178 979736046 /nfs/dbraw/zinc/73/60/46/979736046.db2.gz QXMNIYWYHLSWJM-IBGZPJMESA-N -1 3 421.501 3.845 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](c2cccs2)c2ccc(Cl)cc2)c(C)o1 ZINC000434092172 979840866 /nfs/dbraw/zinc/84/08/66/979840866.db2.gz HFQVHNFHWSGSRA-KRWDZBQOSA-N -1 3 424.931 3.730 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CC=C(c3cccc4ccccc43)CC2)c(C)o1 ZINC000434096223 979845514 /nfs/dbraw/zinc/84/55/14/979845514.db2.gz QPRNINOLBDVPFR-UHFFFAOYSA-N -1 3 410.495 3.579 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)N(Cc2ccccc2)[C@@H](C)c2ccccc2)c(C)o1 ZINC000434099380 979849131 /nfs/dbraw/zinc/84/91/31/979849131.db2.gz IJUQOQPLPLSUDH-INIZCTEOSA-N -1 3 412.511 3.900 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)N(Cc2ccc(Cl)c(Cl)c2)C(C)C)c(C)o1 ZINC000434194897 979960998 /nfs/dbraw/zinc/96/09/98/979960998.db2.gz GJYFSGJRHSSSCL-UHFFFAOYSA-N -1 3 419.330 3.854 20 0 HHADHM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC(c4c[nH]cn4)CC3)c2)c1 ZINC000434279154 980039374 /nfs/dbraw/zinc/03/93/74/980039374.db2.gz HMYWFFALEJHMSO-UHFFFAOYSA-N -1 3 424.526 3.539 20 0 HHADHM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC(c4cnc[nH]4)CC3)c2)c1 ZINC000434279154 980039382 /nfs/dbraw/zinc/03/93/82/980039382.db2.gz HMYWFFALEJHMSO-UHFFFAOYSA-N -1 3 424.526 3.539 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCc3cc(Cl)cc(Cl)c3[C@@H]2C)c(C)o1 ZINC000434364503 980116245 /nfs/dbraw/zinc/11/62/45/980116245.db2.gz OVAJDPFNIGQSEB-VIFPVBQESA-N -1 3 417.314 3.562 20 0 HHADHM Cn1ncc2c1ncc(C(=O)N1CC3(CCC3)c3cc(Br)ccc31)c2[O-] ZINC000434378016 980124103 /nfs/dbraw/zinc/12/41/03/980124103.db2.gz RIKKOKFDPFOWBN-UHFFFAOYSA-N -1 3 413.275 3.519 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)cc2F)c(I)c1 ZINC000434633332 980309759 /nfs/dbraw/zinc/30/97/59/980309759.db2.gz GUVJBOKFHKHELP-UHFFFAOYSA-N -1 3 421.231 3.548 20 0 HHADHM O=S(=O)([N-][C@H]1C[C@H]1c1c(F)cccc1F)c1cc(F)ccc1Br ZINC000435209638 980723570 /nfs/dbraw/zinc/72/35/70/980723570.db2.gz CYKZTZNFRZOZBZ-RNCFNFMXSA-N -1 3 406.223 3.701 20 0 HHADHM Cc1ccc2c(c1C)OC[C@@H]2[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000435219334 980729313 /nfs/dbraw/zinc/72/93/13/980729313.db2.gz ZHZXXTDVHGXJAN-AWEZNQCLSA-N -1 3 400.269 3.617 20 0 HHADHM O=S(=O)([N-]Cc1csc(-c2ccco2)n1)c1cc(F)ccc1Br ZINC000435220407 980729718 /nfs/dbraw/zinc/72/97/18/980729718.db2.gz OBHIWBWVQREJBY-UHFFFAOYSA-N -1 3 417.281 3.783 20 0 HHADHM Cc1cnc([C@H]([N-]S(=O)(=O)c2cc(F)ccc2Br)C2CC2)s1 ZINC000435225150 980733511 /nfs/dbraw/zinc/73/35/11/980733511.db2.gz HSKLKFVGFMXVBI-CYBMUJFWSA-N -1 3 405.314 3.783 20 0 HHADHM COC(=O)C[C@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)c1ccc(F)cc1 ZINC000435437520 980862635 /nfs/dbraw/zinc/86/26/35/980862635.db2.gz LCVFPTZCONGPPA-AWEZNQCLSA-N -1 3 424.252 3.854 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000435591187 980952248 /nfs/dbraw/zinc/95/22/48/980952248.db2.gz CJXQHUWZCYCKJT-SMDDNHRTSA-N -1 3 418.273 3.754 20 0 HHADHM COc1ccc(-c2ncc(C(=O)[N-]c3sccc3S(C)(=O)=O)s2)cc1OC ZINC000435853873 981061056 /nfs/dbraw/zinc/06/10/56/981061056.db2.gz FAKCVBAFVFWXCL-UHFFFAOYSA-N -1 3 424.525 3.545 20 0 HHADHM O=S(=O)(Cc1ccc(I)c(Cl)c1)c1cccc([O-])c1 ZINC000435873585 981071931 /nfs/dbraw/zinc/07/19/31/981071931.db2.gz WLLYEEJKRIJANW-UHFFFAOYSA-N -1 3 408.644 3.624 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3C[C@@H](C)[C@H](C)C3)ccc2C)cc1 ZINC000435958994 981113570 /nfs/dbraw/zinc/11/35/70/981113570.db2.gz XGMHBODYUQHZDR-HZPDHXFCSA-N -1 3 402.516 3.532 20 0 HHADHM Cc1cc([C@@H]2CCCN2C(=O)Cc2c(C)nc(C)[n-]c2=O)ccc1Br ZINC000435960609 981114870 /nfs/dbraw/zinc/11/48/70/981114870.db2.gz FHZWHEHOIIERJS-KRWDZBQOSA-N -1 3 404.308 3.776 20 0 HHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000435963109 981116949 /nfs/dbraw/zinc/11/69/49/981116949.db2.gz BJIGQYCBZHQCOY-GXTWGEPZSA-N -1 3 404.308 3.837 20 0 HHADHM C[C@H]1[C@H](c2ccccc2)c2ccccc2CCN1C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000435980879 981129562 /nfs/dbraw/zinc/12/95/62/981129562.db2.gz UJUSVCIGRNICEG-QMHKHESXSA-N -1 3 410.473 3.789 20 0 HHADHM CC1(C)Cc2cccc(S(=O)(=O)[N-]c3cc(C(N)=O)c(Cl)cc3Cl)c2O1 ZINC000436475397 981393103 /nfs/dbraw/zinc/39/31/03/981393103.db2.gz GJJXPHABEXMENZ-UHFFFAOYSA-N -1 3 415.298 3.607 20 0 HHADHM CSc1ccc(NC(=O)Cn2cc(NC(=O)c3ccc(C)c(C)c3[O-])cn2)cc1 ZINC000436482114 981395296 /nfs/dbraw/zinc/39/52/96/981395296.db2.gz GSZZXHYEKDVEDE-UHFFFAOYSA-N -1 3 410.499 3.818 20 0 HHADHM O=C(c1ccccc1[O-])N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000436493839 981400034 /nfs/dbraw/zinc/40/00/34/981400034.db2.gz UXYIRQMYXDYYIS-DLBZAZTESA-N -1 3 419.308 3.787 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc(OCC(F)(F)F)c(F)c2)c([O-])c1 ZINC000436495750 981400493 /nfs/dbraw/zinc/40/04/93/981400493.db2.gz OOURHKRGSDLZCR-UHFFFAOYSA-N -1 3 414.355 3.539 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NC[C@@H](CO)CC1CCCC1 ZINC000436510050 981408970 /nfs/dbraw/zinc/40/89/70/981408970.db2.gz IKARQPCDVTXNSX-CVDCTZTESA-N -1 3 424.541 3.558 20 0 HHADHM Cc1cc(F)cc([C@]2(F)CCN(C(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])C2)c1 ZINC000436515412 981411802 /nfs/dbraw/zinc/41/18/02/981411802.db2.gz QWUSMNPWULUILH-XXBNENTESA-N -1 3 414.452 3.542 20 0 HHADHM Cc1cc(N(C)C)cc(C)c1NC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436517696 981412875 /nfs/dbraw/zinc/41/28/75/981412875.db2.gz VYPDKPOICHSRQK-UHFFFAOYSA-N -1 3 410.518 3.501 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1cc(C2CCCC2)[nH]n1 ZINC000436520898 981415285 /nfs/dbraw/zinc/41/52/85/981415285.db2.gz AXXBOHQJSWCLRM-HXUWFJFHSA-N -1 3 418.497 4.273 20 0 HHADHM O=C(NC[C@H]1CC(=O)N(Cc2ccccc2)C1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436524380 981417383 /nfs/dbraw/zinc/41/73/83/981417383.db2.gz HEPAALKJVKOQEX-JOCHJYFZSA-N -1 3 414.505 3.762 20 0 HHADHM CC(C)CC[C@@](C)(O)CNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436526909 981420274 /nfs/dbraw/zinc/42/02/74/981420274.db2.gz JRBLZNFVRMRBKH-XUZZJYLKSA-N -1 3 412.530 3.557 20 0 HHADHM CC[C@H](C)Oc1ccc(NC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436531681 981423381 /nfs/dbraw/zinc/42/33/81/981423381.db2.gz UMUYBQUFOGHLET-INIZCTEOSA-N -1 3 411.502 3.996 20 0 HHADHM C[C@H](NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(Cl)cc1Cl ZINC000436532754 981424297 /nfs/dbraw/zinc/42/42/97/981424297.db2.gz GMJKPPZSVXRRQW-ZDUSSCGKSA-N -1 3 422.312 3.928 20 0 HHADHM CC(C)(C)NC(=O)[C@H]1CSCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436541606 981430957 /nfs/dbraw/zinc/43/09/57/981430957.db2.gz WXJOTIWTEGMIPV-QGZVFWFLSA-N -1 3 400.500 3.614 20 0 HHADHM COc1ccc(CC[C@@H]2CCCCN2C(=O)c2cc3c(cc2[O-])OCO3)cc1OC ZINC000436541709 981431116 /nfs/dbraw/zinc/43/11/16/981431116.db2.gz XWOWMQCYTFAPLN-INIZCTEOSA-N -1 3 413.470 3.766 20 0 HHADHM CN(Cc1nc(-c2cccnc2)no1)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436544652 981432557 /nfs/dbraw/zinc/43/25/57/981432557.db2.gz LPYUYIDXYQORSN-UHFFFAOYSA-N -1 3 402.410 3.902 20 0 HHADHM O=C(NCc1ccnc(OC2CCOCC2)c1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436546448 981434192 /nfs/dbraw/zinc/43/41/92/981434192.db2.gz ORJQXGFZLPMUQP-UHFFFAOYSA-N -1 3 418.493 3.866 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCCC[C@@H]1CCCC[C@@H]1O ZINC000436552853 981437950 /nfs/dbraw/zinc/43/79/50/981437950.db2.gz ASGJDMQCWWFNBU-VJBMBRPKSA-N -1 3 424.541 3.701 20 0 HHADHM O=C(c1ccccc1[O-])N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000436556904 981441785 /nfs/dbraw/zinc/44/17/85/981441785.db2.gz MSPJZVWYRRRPLH-JKSUJKDBSA-N -1 3 419.308 3.787 20 0 HHADHM COCCC1(CNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCCC1 ZINC000436556489 981441935 /nfs/dbraw/zinc/44/19/35/981441935.db2.gz LMMDGKSKMDDCAM-QFIPXVFZSA-N -1 3 424.541 3.967 20 0 HHADHM O=C(Nc1nc(CN2CCOCC2)cs1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436558113 981443222 /nfs/dbraw/zinc/44/32/22/981443222.db2.gz UAHKDRLCBIXYJV-UHFFFAOYSA-N -1 3 411.483 3.726 20 0 HHADHM C[C@@H](CCO)C1(CNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCC1 ZINC000436559591 981443860 /nfs/dbraw/zinc/44/38/60/981443860.db2.gz AAYXQKIFYKXJRZ-PGRDOPGGSA-N -1 3 424.541 3.558 20 0 HHADHM O=C(Nc1cccc(Cn2cncn2)c1)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436559255 981443900 /nfs/dbraw/zinc/44/39/00/981443900.db2.gz ZPZGAZADNQTTTI-UHFFFAOYSA-N -1 3 400.438 3.863 20 0 HHADHM COc1cccc(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1O ZINC000436560450 981444556 /nfs/dbraw/zinc/44/45/56/981444556.db2.gz BKPLWNNODISHCI-LJQANCHMSA-N -1 3 406.438 3.606 20 0 HHADHM CNS(=O)(=O)c1ccc(C)c(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])c1 ZINC000436560882 981444833 /nfs/dbraw/zinc/44/48/33/981444833.db2.gz DHHCLFXUGAPVCJ-UHFFFAOYSA-N -1 3 412.467 3.653 20 0 HHADHM CNC(=O)c1ccc(OC)c(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])c1 ZINC000436567553 981449262 /nfs/dbraw/zinc/44/92/62/981449262.db2.gz XWAPSFAACLBUDO-UHFFFAOYSA-N -1 3 406.438 3.592 20 0 HHADHM Cc1nc(CN2CCN(C(=O)c3cc(CCc4ccccc4)ccc3[O-])CC2)oc1C ZINC000436570423 981450942 /nfs/dbraw/zinc/45/09/42/981450942.db2.gz QCTWTXIJDARLMP-UHFFFAOYSA-N -1 3 419.525 3.740 20 0 HHADHM COc1ccc(C(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)c([O-])c1 ZINC000436572943 981452689 /nfs/dbraw/zinc/45/26/89/981452689.db2.gz GDIMBDGZKGGBLE-UHFFFAOYSA-N -1 3 419.319 3.558 20 0 HHADHM Cc1ccc(C(=O)N[C@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)c([O-])c1 ZINC000436578742 981456682 /nfs/dbraw/zinc/45/66/82/981456682.db2.gz XKACIJNXWKXXSO-OAQYLSRUSA-N -1 3 413.470 3.763 20 0 HHADHM CCc1nsc(N2CCCN(C(=O)c3cc(Oc4ccccc4)ccc3[O-])CC2)n1 ZINC000436579304 981457179 /nfs/dbraw/zinc/45/71/79/981457179.db2.gz ZAJFNSPPOQKDRW-UHFFFAOYSA-N -1 3 424.526 3.951 20 0 HHADHM CS(=O)(=O)C[C@@H](NC(=O)c1cc(Oc2ccccc2)ccc1[O-])c1ccccc1 ZINC000436578935 981457225 /nfs/dbraw/zinc/45/72/25/981457225.db2.gz SWYQJJLKUIATIY-HXUWFJFHSA-N -1 3 411.479 3.700 20 0 HHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC000436584148 981460256 /nfs/dbraw/zinc/46/02/56/981460256.db2.gz LRXABPRBHYEDLH-UHFFFAOYSA-N -1 3 413.539 3.557 20 0 HHADHM O=C(C[C@H]1COCCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-])c1ccco1 ZINC000436591572 981463883 /nfs/dbraw/zinc/46/38/83/981463883.db2.gz XKDXPLADSAYTEL-INIZCTEOSA-N -1 3 407.422 3.892 20 0 HHADHM C[C@@H](NC(=O)c1cc(CCc2ccccc2)ccc1[O-])c1ccc2c(c1)NC(=O)CO2 ZINC000436594440 981464932 /nfs/dbraw/zinc/46/49/32/981464932.db2.gz FDJVHAOEVVYEJQ-MRXNPFEDSA-N -1 3 416.477 3.999 20 0 HHADHM Cn1cc(C(=O)C[C@H]2CCCN2C(=O)c2cc(Cc3ccccc3)ccc2[O-])cn1 ZINC000436595768 981465572 /nfs/dbraw/zinc/46/55/72/981465572.db2.gz NVWVOUZXAQMUCV-HXUWFJFHSA-N -1 3 403.482 3.594 20 0 HHADHM Cc1csc(N2CCN(C(=O)c3cc(CCc4ccccc4)ccc3[O-])CC2)n1 ZINC000436596004 981465596 /nfs/dbraw/zinc/46/55/96/981465596.db2.gz OPHZMDVBFWXAGQ-UHFFFAOYSA-N -1 3 407.539 3.905 20 0 HHADHM O=C(NCCNC(=O)c1ccccc1Cl)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436599635 981467260 /nfs/dbraw/zinc/46/72/60/981467260.db2.gz XZYFDEWBMODDOM-UHFFFAOYSA-N -1 3 408.885 3.796 20 0 HHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCN(Cc2ccncc2)CC1 ZINC000436601622 981468527 /nfs/dbraw/zinc/46/85/27/981468527.db2.gz JBEPNUMNYKUGSV-UHFFFAOYSA-N -1 3 401.510 3.530 20 0 HHADHM CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436602729 981469101 /nfs/dbraw/zinc/46/91/01/981469101.db2.gz GFXDGRJBAMNAQW-ZWKOTPCHSA-N -1 3 409.530 3.691 20 0 HHADHM Cc1cc(Br)ccc1NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436606263 981470986 /nfs/dbraw/zinc/47/09/86/981470986.db2.gz RBHNPJPZGCTBOQ-INIZCTEOSA-N -1 3 403.276 3.706 20 0 HHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCN(Cc2cscn2)CC1 ZINC000436610002 981472853 /nfs/dbraw/zinc/47/28/53/981472853.db2.gz MFXSNBNSVYAOFS-UHFFFAOYSA-N -1 3 407.539 3.592 20 0 HHADHM O=C(Nc1ccc(Oc2ccccc2)nc1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436615696 981476006 /nfs/dbraw/zinc/47/60/06/981476006.db2.gz BOGKRUORZAWZFN-IBGZPJMESA-N -1 3 403.438 3.823 20 0 HHADHM COCC1(CNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCCCC1 ZINC000436617993 981477298 /nfs/dbraw/zinc/47/72/98/981477298.db2.gz MEOHQNMFUQXXBQ-QFIPXVFZSA-N -1 3 424.541 3.967 20 0 HHADHM CC[C@H](CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])Oc1cccc(Cl)c1 ZINC000436620974 981478557 /nfs/dbraw/zinc/47/85/57/981478557.db2.gz AEZFIQFYSKXSCG-VQIMIIECSA-N -1 3 416.905 3.624 20 0 HHADHM C[C@@H](NC(=O)c1ccc(O)cc1[O-])c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000436621835 981478953 /nfs/dbraw/zinc/47/89/53/981478953.db2.gz FGMZPJZURMDBHM-CQSZACIVSA-N -1 3 408.429 3.909 20 0 HHADHM COc1ccc(CCC(=O)N2CCCN(C(=O)c3ccc(C(C)C)cc3[O-])CC2)cc1 ZINC000436626962 981482058 /nfs/dbraw/zinc/48/20/58/981482058.db2.gz QZOGAGUVYNIYGE-UHFFFAOYSA-N -1 3 424.541 3.832 20 0 HHADHM CC(C)(C)[C@@H]1CCN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C[C@@H]1O ZINC000436630761 981483816 /nfs/dbraw/zinc/48/38/16/981483816.db2.gz PGXOHCQRXPQIQH-FSSWDIPSSA-N -1 3 424.541 3.509 20 0 HHADHM Cc1ccc(C[C@@H](NC(=O)CCNC(=O)c2ccc(C)cc2[O-])c2ccccn2)cc1 ZINC000436635686 981485745 /nfs/dbraw/zinc/48/57/45/981485745.db2.gz VJECNCFOHPGVFD-JOCHJYFZSA-N -1 3 417.509 3.624 20 0 HHADHM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436642867 981489765 /nfs/dbraw/zinc/48/97/65/981489765.db2.gz VITSLMCNVXENNJ-LZNRXBQRSA-N -1 3 416.562 3.590 20 0 HHADHM CC(C)c1ccc(-c2nc(C(=O)NCCNC(=O)c3ccc([O-])cc3)cs2)cc1 ZINC000436645200 981490214 /nfs/dbraw/zinc/49/02/14/981490214.db2.gz ZXEYJEZBHWLLTF-UHFFFAOYSA-N -1 3 409.511 3.799 20 0 HHADHM O=C(NCCCCc1ccc(Cl)s1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436643679 981490326 /nfs/dbraw/zinc/49/03/26/981490326.db2.gz QUUKOJSLVUQIAM-UHFFFAOYSA-N -1 3 421.950 3.597 20 0 HHADHM CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)c2c([O-])cccc2O)cc1 ZINC000436648613 981491117 /nfs/dbraw/zinc/49/11/17/981491117.db2.gz OUNSQIPGVMFWPW-UHFFFAOYSA-N -1 3 413.451 3.936 20 0 HHADHM CC(C)CN(CCN(C)C)C(=O)c1cc(Br)c([O-])c(Br)c1 ZINC000436663898 981499171 /nfs/dbraw/zinc/49/91/71/981499171.db2.gz NIJWTKLBWYWOQV-UHFFFAOYSA-N -1 3 422.161 3.577 20 0 HHADHM CCc1c(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cnn1C(CC)CC ZINC000436666681 981500742 /nfs/dbraw/zinc/50/07/42/981500742.db2.gz RDQQMPFVNWQLCV-UHFFFAOYSA-N -1 3 413.522 3.502 20 0 HHADHM CN(CCOc1ccc(OCc2ccccc2)cc1)C(=O)c1cc2c(cc1[O-])OCO2 ZINC000436671571 981503157 /nfs/dbraw/zinc/50/31/57/981503157.db2.gz AERITFASWXSDPU-UHFFFAOYSA-N -1 3 421.449 3.851 20 0 HHADHM CC[C@@H](NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-])c1ccc(OC)cc1 ZINC000436673732 981505099 /nfs/dbraw/zinc/50/50/99/981505099.db2.gz KXPIBMQHOQFALQ-LJQANCHMSA-N -1 3 409.442 3.831 20 0 HHADHM CC[C@H](NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-])c1ccc(OC)cc1 ZINC000436673731 981505266 /nfs/dbraw/zinc/50/52/66/981505266.db2.gz KXPIBMQHOQFALQ-IBGZPJMESA-N -1 3 409.442 3.831 20 0 HHADHM Cc1ccc2cccc(NC(=O)NC3CCN(C(=O)c4ccccc4[O-])CC3)c2n1 ZINC000436677951 981507380 /nfs/dbraw/zinc/50/73/80/981507380.db2.gz AGOWTWZOVFNWSA-UHFFFAOYSA-N -1 3 404.470 3.675 20 0 HHADHM O=C(NCCNC(=O)C1(c2cccc(C(F)(F)F)c2)CCCC1)c1ccc([O-])cc1 ZINC000436678877 981507619 /nfs/dbraw/zinc/50/76/19/981507619.db2.gz DMTZJKRYJBXJPD-UHFFFAOYSA-N -1 3 420.431 3.769 20 0 HHADHM COC(=O)CSCc1cccc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)c1 ZINC000436680939 981509012 /nfs/dbraw/zinc/50/90/12/981509012.db2.gz LYYSFHNXYMKNPG-UHFFFAOYSA-N -1 3 401.484 3.764 20 0 HHADHM CCCOc1ccc(CCC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436683463 981510425 /nfs/dbraw/zinc/51/04/25/981510425.db2.gz UMZASNBHBSSKAI-UHFFFAOYSA-N -1 3 410.514 3.535 20 0 HHADHM Cc1ccc(C(=O)NCCc2nc(-c3ccc(Oc4ccccc4)nc3)no2)c([O-])c1 ZINC000436690245 981514430 /nfs/dbraw/zinc/51/44/30/981514430.db2.gz PIANOMMGIYZEIT-UHFFFAOYSA-N -1 3 416.437 3.910 20 0 HHADHM Cc1cc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)ccc1Oc1cccnc1 ZINC000436693850 981516463 /nfs/dbraw/zinc/51/64/63/981516463.db2.gz DPQPJEZWKUAUIF-UHFFFAOYSA-N -1 3 403.482 3.846 20 0 HHADHM CCCOc1c(Cl)cc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1OC ZINC000436694767 981517215 /nfs/dbraw/zinc/51/72/15/981517215.db2.gz JDKKMUWHHIXQBD-UHFFFAOYSA-N -1 3 418.921 3.801 20 0 HHADHM Cc1nn(-c2ccc(Cl)cc2)c(C)c1CN1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436695903 981518691 /nfs/dbraw/zinc/51/86/91/981518691.db2.gz NBWQXFORURLBFA-UHFFFAOYSA-N -1 3 424.932 3.806 20 0 HHADHM O=C(c1ccccc1[O-])N1CCN(CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000436698890 981519245 /nfs/dbraw/zinc/51/92/45/981519245.db2.gz PLJMMVYIAJPMSM-UHFFFAOYSA-N -1 3 419.308 3.933 20 0 HHADHM O=C(CCOc1ccc2ccccc2c1)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436699772 981519856 /nfs/dbraw/zinc/51/98/56/981519856.db2.gz SGFAWTRTEYAGKO-UHFFFAOYSA-N -1 3 418.493 3.735 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1cnc(CC2CC2)nc1 ZINC000436701936 981520745 /nfs/dbraw/zinc/52/07/45/981520745.db2.gz CDMLHKCBXPGQTH-OAQYLSRUSA-N -1 3 416.481 3.635 20 0 HHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(F)cc1C(F)(F)F ZINC000436709683 981524310 /nfs/dbraw/zinc/52/43/10/981524310.db2.gz OVHKRPSLFWXCLS-UHFFFAOYSA-N -1 3 410.367 3.585 20 0 HHADHM C[C@]1(C2CC2)NC(=O)N(c2cccc(NC(=O)c3cc4c(cc3[O-])CCCC4)c2)C1=O ZINC000436711643 981525420 /nfs/dbraw/zinc/52/54/20/981525420.db2.gz JQOYHMFDBKJVGP-XMMPIXPASA-N -1 3 419.481 3.748 20 0 HHADHM C[C@@H](NC(=O)c1cc(CCc2ccccc2)ccc1[O-])c1nnnn1-c1ccccc1 ZINC000436736395 981538141 /nfs/dbraw/zinc/53/81/41/981538141.db2.gz GQMLFBFQUUUQEE-QGZVFWFLSA-N -1 3 413.481 3.644 20 0 HHADHM O=C(NCCNC(=O)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1)c1ccc([O-])cc1 ZINC000436748176 981543788 /nfs/dbraw/zinc/54/37/88/981543788.db2.gz RDOCYCGFTIFQRW-MSOLQXFVSA-N -1 3 421.522 3.598 20 0 HHADHM Cc1cc(CN2C(=O)c3ccccc3C2=O)cc(C(=O)Nc2ccnn2C(C)C)c1[O-] ZINC000436754214 981546450 /nfs/dbraw/zinc/54/64/50/981546450.db2.gz HWZQMCRTKUBKOD-UHFFFAOYSA-N -1 3 418.453 3.527 20 0 HHADHM CS(=O)(=O)Nc1ccccc1NC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436756746 981547676 /nfs/dbraw/zinc/54/76/76/981547676.db2.gz FDCZPHUINORDNS-UHFFFAOYSA-N -1 3 412.467 3.595 20 0 HHADHM C[C@H](CC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)Cc1ccc(Cl)cc1 ZINC000436769240 981553914 /nfs/dbraw/zinc/55/39/14/981553914.db2.gz YOPRXYNGVQMHQW-INIZCTEOSA-N -1 3 400.906 3.599 20 0 HHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@@H]3c4ccccc4O[C@@H]3C)cs2)c1 ZINC000436773956 981556157 /nfs/dbraw/zinc/55/61/57/981556157.db2.gz LLJLQSDGPNYLSG-XCLFUZPHSA-N -1 3 423.494 3.590 20 0 HHADHM CC(C)CCOc1ccc(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000436776609 981556573 /nfs/dbraw/zinc/55/65/73/981556573.db2.gz LHXPQWYPFMBNSI-UHFFFAOYSA-N -1 3 411.502 3.807 20 0 HHADHM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000436776949 981557159 /nfs/dbraw/zinc/55/71/59/981557159.db2.gz AYSDITHEEWQUBQ-GOSISDBHSA-N -1 3 410.514 3.576 20 0 HHADHM C[C@H](Sc1ccccc1Cl)C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436779599 981558181 /nfs/dbraw/zinc/55/81/81/981558181.db2.gz WZYYMNNJEVAFIJ-AWEZNQCLSA-N -1 3 404.919 3.511 20 0 HHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)[C@@H](OC1CCCC1)c1ccccc1 ZINC000436782479 981559390 /nfs/dbraw/zinc/55/93/90/981559390.db2.gz CHFIPEZNALUNLQ-QHCPKHFHSA-N -1 3 422.525 3.814 20 0 HHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)[C@H](OC1CCCC1)c1ccccc1 ZINC000436782478 981559460 /nfs/dbraw/zinc/55/94/60/981559460.db2.gz CHFIPEZNALUNLQ-HSZRJFAPSA-N -1 3 422.525 3.814 20 0 HHADHM CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)c2cc(NC(C)=O)ccc2[O-])cc1 ZINC000436782309 981559469 /nfs/dbraw/zinc/55/94/69/981559469.db2.gz NJFBUZHKXWVBAK-AWEZNQCLSA-N -1 3 412.490 3.715 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCOC[C@@H](C2CCC2)C1 ZINC000436789128 981562071 /nfs/dbraw/zinc/56/20/71/981562071.db2.gz CLKLVLDOTYXOID-JTHBVZDNSA-N -1 3 422.525 3.529 20 0 HHADHM CCN(CCOc1ccc(Br)cc1)C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000436796134 981566282 /nfs/dbraw/zinc/56/62/82/981566282.db2.gz UOTKWFQFSLHRGV-UHFFFAOYSA-N -1 3 424.291 3.713 20 0 HHADHM CCC[C@H](NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(F)cc1F ZINC000436797936 981566913 /nfs/dbraw/zinc/56/69/13/981566913.db2.gz IRTLNRGFGQRQGL-IBGZPJMESA-N -1 3 417.456 3.679 20 0 HHADHM COc1ccc(C)cc1-n1ccc(C(=O)Nc2cc(Br)ccc2[O-])n1 ZINC000436797760 981567234 /nfs/dbraw/zinc/56/72/34/981567234.db2.gz PDVUMDRPQCZMNI-UHFFFAOYSA-N -1 3 402.248 3.910 20 0 HHADHM COc1ccccc1OCC(=O)Nc1cccc(NC(=O)c2cccc(C)c2[O-])c1 ZINC000436798387 981567245 /nfs/dbraw/zinc/56/72/45/981567245.db2.gz LCVTVKORSOVKJE-UHFFFAOYSA-N -1 3 406.438 3.979 20 0 HHADHM CCC[C@H](NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccc(F)cc1F ZINC000436800120 981567668 /nfs/dbraw/zinc/56/76/68/981567668.db2.gz SXFDWWWXNMVHFE-FQEVSTJZSA-N -1 3 417.456 3.679 20 0 HHADHM C[C@H](c1nccs1)N1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000436802746 981568767 /nfs/dbraw/zinc/56/87/67/981568767.db2.gz FSFTYKJJABCFNO-QGZVFWFLSA-N -1 3 407.539 3.959 20 0 HHADHM CC[C@@H]1Cc2ccccc2CN1C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000436808343 981570645 /nfs/dbraw/zinc/57/06/45/981570645.db2.gz OQEBWWPKYPKMGW-GOSISDBHSA-N -1 3 405.454 3.918 20 0 HHADHM Cc1ccc(-c2ncco2)cc1NC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436814044 981573410 /nfs/dbraw/zinc/57/34/10/981573410.db2.gz JZAKVEXNURDCDA-UHFFFAOYSA-N -1 3 420.469 3.782 20 0 HHADHM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436814101 981573415 /nfs/dbraw/zinc/57/34/15/981573415.db2.gz RDQIGDKUABQZSP-IBGZPJMESA-N -1 3 415.921 3.534 20 0 HHADHM CCCOc1ccc(CNC(=O)c2cc(OC)c([O-])c(OC)c2)c(OC(F)F)c1 ZINC000436817041 981574518 /nfs/dbraw/zinc/57/45/18/981574518.db2.gz QIEDUWOMAWWUCG-UHFFFAOYSA-N -1 3 411.401 3.730 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCC[C@H](OCC2CC2)C1 ZINC000436821360 981576408 /nfs/dbraw/zinc/57/64/08/981576408.db2.gz PAZHXLUWBAWXPM-GOTSBHOMSA-N -1 3 422.525 3.671 20 0 HHADHM COc1cc(NC(=O)c2cccc(OC)c2[O-])c(OC)cc1NC(=O)c1ccccc1 ZINC000436830471 981580936 /nfs/dbraw/zinc/58/09/36/981580936.db2.gz DKXHIRPIDYTDLT-UHFFFAOYSA-N -1 3 422.437 3.923 20 0 HHADHM CCc1ccc(C(=O)N2CCCN(C(=O)Nc3ccc(Cl)cc3)CC2)c([O-])c1 ZINC000436831251 981580942 /nfs/dbraw/zinc/58/09/42/981580942.db2.gz SDJPQFJEMZETPX-UHFFFAOYSA-N -1 3 401.894 3.988 20 0 HHADHM COc1cccc(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)c1O ZINC000436832649 981581413 /nfs/dbraw/zinc/58/14/13/981581413.db2.gz JOJRIJDMRDLFRK-UHFFFAOYSA-N -1 3 412.467 3.762 20 0 HHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1cc(-c2ccccc2)ns1 ZINC000436838362 981584157 /nfs/dbraw/zinc/58/41/57/981584157.db2.gz JVMLFZBRKZGHRV-UHFFFAOYSA-N -1 3 407.495 3.550 20 0 HHADHM COC(=O)COc1ccc(N(C)C(=O)c2cc(Cc3ccccc3)ccc2[O-])cc1 ZINC000436838963 981584404 /nfs/dbraw/zinc/58/44/04/981584404.db2.gz KKXNDGTTYCQYNI-UHFFFAOYSA-N -1 3 405.450 3.811 20 0 HHADHM COC(=O)COc1ccc(N(C)C(=O)c2cc(OCc3ccccc3)ccc2[O-])cc1 ZINC000436842796 981586092 /nfs/dbraw/zinc/58/60/92/981586092.db2.gz XHKGXYGYXCJVTJ-UHFFFAOYSA-N -1 3 421.449 3.800 20 0 HHADHM C[C@H](CN(C)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1nccs1 ZINC000436846896 981587803 /nfs/dbraw/zinc/58/78/03/981587803.db2.gz ZASQWOBKBQXSII-OXQOHEQNSA-N -1 3 423.538 3.972 20 0 HHADHM C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1C(=O)c1cc2c(cc1[O-])OCO2 ZINC000436855066 981593429 /nfs/dbraw/zinc/59/34/29/981593429.db2.gz ONIINRQQAZWWQE-VOJFVSQTSA-N -1 3 409.360 3.742 20 0 HHADHM O=C(c1ccccc1[O-])N1CCN(C(=O)[C@H]2C[C@H]2c2cccc3ccccc32)CC1 ZINC000436860096 981595668 /nfs/dbraw/zinc/59/56/68/981595668.db2.gz DMFMUCBQIXWDDS-VXKWHMMOSA-N -1 3 400.478 3.634 20 0 HHADHM O=C(c1ccc(OC2CCCCC2)cc1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436860498 981595747 /nfs/dbraw/zinc/59/57/47/981595747.db2.gz ORSYHJCHWNANQA-UHFFFAOYSA-N -1 3 408.498 3.702 20 0 HHADHM Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436872466 981598187 /nfs/dbraw/zinc/59/81/87/981598187.db2.gz WRMTUAHUVSVKJZ-SFHVURJKSA-N -1 3 409.530 3.755 20 0 HHADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2nc(-c3c(F)cccc3F)cs2)CC1 ZINC000436882631 981600352 /nfs/dbraw/zinc/60/03/52/981600352.db2.gz UDOZOOZAGZYNQZ-UHFFFAOYSA-N -1 3 415.465 3.752 20 0 HHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2Cc3cc(Br)ccc3C[C@H]2C)c1 ZINC000436883370 981600719 /nfs/dbraw/zinc/60/07/19/981600719.db2.gz DZQCTWSJHIPDQM-LLVKDONJSA-N -1 3 403.276 3.700 20 0 HHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000436884907 981601018 /nfs/dbraw/zinc/60/10/18/981601018.db2.gz BDDSUIZOEJNYRC-KKSFZXQISA-N -1 3 406.482 3.800 20 0 HHADHM CC[C@H](C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1cccc(C(F)(F)F)c1 ZINC000436884652 981601088 /nfs/dbraw/zinc/60/10/88/981601088.db2.gz GKSXMCWDGFESEX-IBGZPJMESA-N -1 3 420.431 3.889 20 0 HHADHM CC[C@@H](C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1cccc(C(F)(F)F)c1 ZINC000436885580 981601410 /nfs/dbraw/zinc/60/14/10/981601410.db2.gz KPXDGUVTUDHACZ-QGZVFWFLSA-N -1 3 420.431 3.889 20 0 HHADHM O=C(c1ccccc1[O-])N1CCN(C(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)CC1 ZINC000436887971 981602095 /nfs/dbraw/zinc/60/20/95/981602095.db2.gz SAVBMHLIMQCVIV-MSOLQXFVSA-N -1 3 419.308 3.787 20 0 HHADHM O=C(c1ccccc1[O-])N1CCN(C(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)CC1 ZINC000436887973 981602269 /nfs/dbraw/zinc/60/22/69/981602269.db2.gz SAVBMHLIMQCVIV-QZTJIDSGSA-N -1 3 419.308 3.787 20 0 HHADHM COc1ccc(C(=O)NCc2cc(Br)ccc2OC(F)F)c([O-])c1 ZINC000436895333 981604564 /nfs/dbraw/zinc/60/45/64/981604564.db2.gz UKVWRQBMMVFJEQ-UHFFFAOYSA-N -1 3 402.191 3.695 20 0 HHADHM C[C@H](Oc1ccc(Cl)c2ccccc12)C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000436900398 981607160 /nfs/dbraw/zinc/60/71/60/981607160.db2.gz HRKNMVXOCBLPTL-AWEZNQCLSA-N -1 3 412.873 3.512 20 0 HHADHM O=C(NC1(Cc2ccc(F)cc2Br)CCOCC1)c1ccccc1[O-] ZINC000436903037 981609363 /nfs/dbraw/zinc/60/93/63/981609363.db2.gz VLCGTJTURODKNW-UHFFFAOYSA-N -1 3 408.267 3.816 20 0 HHADHM O=C(c1cc2c(cc1[O-])OCO2)N1CC2(CCC2)c2cc(Br)ccc21 ZINC000436904952 981610975 /nfs/dbraw/zinc/61/09/75/981610975.db2.gz RJWFSEBFHQMXGV-UHFFFAOYSA-N -1 3 402.244 3.966 20 0 HHADHM C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436906849 981612731 /nfs/dbraw/zinc/61/27/31/981612731.db2.gz FFVJNKNUFYYTID-YSZBQJHXSA-N -1 3 424.541 3.965 20 0 HHADHM CN(C(=O)c1ccc(NC(=O)c2cc(F)c([O-])c(Cl)c2)cc1)[C@@H]1CCCN(C)C1 ZINC000436908328 981613728 /nfs/dbraw/zinc/61/37/28/981613728.db2.gz IDSFFDPDOLIAEE-MRXNPFEDSA-N -1 3 419.884 3.603 20 0 HHADHM O=C(Nc1cccc(Oc2ccncc2)c1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436909116 981614463 /nfs/dbraw/zinc/61/44/63/981614463.db2.gz XVHUGGRONKERPI-HXUWFJFHSA-N -1 3 403.438 3.823 20 0 HHADHM CCN(CC)C(=O)COc1ccc(NC(=O)c2cccc(OC)c2[O-])cc1Cl ZINC000436911598 981617099 /nfs/dbraw/zinc/61/70/99/981617099.db2.gz UDPSROJYZNMKNW-UHFFFAOYSA-N -1 3 406.866 3.554 20 0 HHADHM CCCCn1ccnc1-c1cccc(NC(=O)NCCNC(=O)c2ccc([O-])cc2)c1 ZINC000436912792 981618354 /nfs/dbraw/zinc/61/83/54/981618354.db2.gz TZVSPZSEVGPXOR-UHFFFAOYSA-N -1 3 421.501 3.607 20 0 HHADHM C[C@@H]1c2cccn2CCN1C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436914375 981620142 /nfs/dbraw/zinc/62/01/42/981620142.db2.gz LCKFEZLLOXTPJU-DYESRHJHSA-N -1 3 403.482 3.658 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1cccc2c[nH]nc21 ZINC000436916318 981622005 /nfs/dbraw/zinc/62/20/05/981622005.db2.gz VZTVQRYJFDXFFM-FQEVSTJZSA-N -1 3 400.438 3.768 20 0 HHADHM Cc1cccc(CCNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC000436925032 981627791 /nfs/dbraw/zinc/62/77/91/981627791.db2.gz YXRANLIQAWGPSC-QHCPKHFHSA-N -1 3 402.494 3.921 20 0 HHADHM Cc1nc(C)c(CCNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)s1 ZINC000436926469 981628721 /nfs/dbraw/zinc/62/87/21/981628721.db2.gz LSFOANPQJANOLP-FQEVSTJZSA-N -1 3 423.538 3.686 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1cccc2[nH]c(=O)oc21 ZINC000436933903 981631516 /nfs/dbraw/zinc/63/15/16/981631516.db2.gz VVIIQQLZJWJNEI-LJQANCHMSA-N -1 3 417.421 3.739 20 0 HHADHM C[C@H](NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1cccc(O)c1 ZINC000436936054 981633405 /nfs/dbraw/zinc/63/34/05/981633405.db2.gz YAXOVCXDVQRQSI-KSFYIVLOSA-N -1 3 404.466 3.836 20 0 HHADHM O=C(NC[C@H](Cc1ccccc1)C(F)(F)F)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436937576 981634042 /nfs/dbraw/zinc/63/40/42/981634042.db2.gz GDINVXSOKLOPCW-FUHWJXTLSA-N -1 3 420.431 3.534 20 0 HHADHM NC(=O)[C@H]1CCCN1Cc1ccccc1-c1noc(-c2ccc3ccccc3c2[O-])n1 ZINC000436939708 981635447 /nfs/dbraw/zinc/63/54/47/981635447.db2.gz QAAWBFSWTBKLBZ-HXUWFJFHSA-N -1 3 414.465 3.712 20 0 HHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(-c2ccccc2F)o1 ZINC000436941165 981635533 /nfs/dbraw/zinc/63/55/33/981635533.db2.gz BIRPIAHZGMRCFX-UHFFFAOYSA-N -1 3 408.429 3.826 20 0 HHADHM O=C1C[C@H](c2noc(-c3cc(OCc4ccccc4)ccc3[O-])n2)CN1CC1CC1 ZINC000436947653 981639128 /nfs/dbraw/zinc/63/91/28/981639128.db2.gz GXNFEJNFPFUGGN-KRWDZBQOSA-N -1 3 405.454 3.747 20 0 HHADHM O=C(Cc1cc(Cl)ccc1Cl)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436949338 981640118 /nfs/dbraw/zinc/64/01/18/981640118.db2.gz WXOZDGGRJKNJNA-UHFFFAOYSA-N -1 3 407.297 3.663 20 0 HHADHM CCC[C@@H]1CCc2nc(NC(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])sc2C1 ZINC000436950613 981640701 /nfs/dbraw/zinc/64/07/01/981640701.db2.gz ZZKCDLIQHRCBLH-PBHICJAKSA-N -1 3 413.543 3.997 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC(OCCC(C)C)CC2)c1 ZINC000436950647 981641553 /nfs/dbraw/zinc/64/15/53/981641553.db2.gz NRUODQCHMPKMPE-UHFFFAOYSA-N -1 3 415.490 3.608 20 0 HHADHM CCSc1cccc(F)c1NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436953055 981642700 /nfs/dbraw/zinc/64/27/00/981642700.db2.gz ZVZQNZJCOXUQSN-UHFFFAOYSA-N -1 3 403.479 3.633 20 0 HHADHM Cc1nn(-c2ccccc2F)c(C)c1[C@@H]1COCCN1C(=O)c1ccc(C)cc1[O-] ZINC000436955103 981644286 /nfs/dbraw/zinc/64/42/86/981644286.db2.gz YTJUPECEFVCEQP-FQEVSTJZSA-N -1 3 409.461 3.856 20 0 HHADHM CCOCCOc1ccc(Br)cc1NC(=O)c1cccc(OC)c1[O-] ZINC000436955938 981645163 /nfs/dbraw/zinc/64/51/63/981645163.db2.gz NTBGJAAPFYJHDX-UHFFFAOYSA-N -1 3 410.264 3.831 20 0 HHADHM Cc1cc(CN2C(=O)c3ccccc3C2=O)cc(-c2nc(-c3cscn3)no2)c1[O-] ZINC000436956114 981645509 /nfs/dbraw/zinc/64/55/09/981645509.db2.gz ORGIJYUCYOYXET-UHFFFAOYSA-N -1 3 418.434 3.670 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)N(CC(C)C)[C@H]2CCCc3cccnc32)c([O-])c1 ZINC000436956499 981645830 /nfs/dbraw/zinc/64/58/30/981645830.db2.gz MWOIGDHJZYSKBI-FQEVSTJZSA-N -1 3 409.530 3.778 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCCc2c[nH]c3cccc(C)c23)c1 ZINC000436959436 981648583 /nfs/dbraw/zinc/64/85/83/981648583.db2.gz HKMMSSIVYKLLEN-UHFFFAOYSA-N -1 3 418.453 3.703 20 0 HHADHM O=C(N[C@@H](Cc1ccccn1)c1ccc(Br)cc1)c1ccc(O)cc1[O-] ZINC000436966765 981653573 /nfs/dbraw/zinc/65/35/73/981653573.db2.gz NHQFKNWQMJIHMN-SFHVURJKSA-N -1 3 413.271 3.969 20 0 HHADHM CCCCOc1ccc(C(=O)N2CCC(C(=O)N3CCC(C)CC3)CC2)c([O-])c1 ZINC000436972764 981658543 /nfs/dbraw/zinc/65/85/43/981658543.db2.gz QNJKISAASMWHFG-UHFFFAOYSA-N -1 3 402.535 3.682 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)[C@H]2Oc3ccccc3[C@@H]2C)c1 ZINC000436975694 981660377 /nfs/dbraw/zinc/66/03/77/981660377.db2.gz LYKRSDHGOWIESZ-QRQYBIJMSA-N -1 3 421.453 3.624 20 0 HHADHM CCCCOc1ccc(C(=O)N2CCC(NC(=O)c3ccsc3)CC2)c([O-])c1 ZINC000436975293 981660475 /nfs/dbraw/zinc/66/04/75/981660475.db2.gz JFVYMEOLPCSHPE-UHFFFAOYSA-N -1 3 402.516 3.667 20 0 HHADHM CCN1CC[C@H]2OCCN(C(=O)c3cc(-c4ccccc4)cc(Cl)c3[O-])[C@H]2C1 ZINC000436979026 981662888 /nfs/dbraw/zinc/66/28/88/981662888.db2.gz KBBQODIKUOMAFW-VQTJNVASSA-N -1 3 400.906 3.648 20 0 HHADHM CCOc1cccc([C@@H]2C[C@@H]2NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])c1 ZINC000436981809 981665115 /nfs/dbraw/zinc/66/51/15/981665115.db2.gz VGAUINVBSHFLBO-PXNSSMCTSA-N -1 3 421.453 3.626 20 0 HHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@H](C)CCc3ccco3)cs2)c1 ZINC000436982323 981666024 /nfs/dbraw/zinc/66/60/24/981666024.db2.gz TYBYMCAREXIRRC-CQSZACIVSA-N -1 3 413.499 3.682 20 0 HHADHM CCC(CC)[C@@H]1C[C@@H](NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])CCO1 ZINC000436985577 981668230 /nfs/dbraw/zinc/66/82/30/981668230.db2.gz CXCBXCSCOVGQTD-JXFKEZNVSA-N -1 3 415.490 3.655 20 0 HHADHM CCS(=O)(=O)c1ccc(CNC(=O)c2cc(Oc3ccccc3)ccc2[O-])s1 ZINC000436986219 981668528 /nfs/dbraw/zinc/66/85/28/981668528.db2.gz GNXGRLFRRRNVHK-UHFFFAOYSA-N -1 3 417.508 3.970 20 0 HHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N(C)[C@@H]3CCC[C@@H](C)C3)cs2)c1 ZINC000436988395 981670910 /nfs/dbraw/zinc/67/09/10/981670910.db2.gz OXUZVVQDODTAST-CZUORRHYSA-N -1 3 401.532 3.989 20 0 HHADHM CC(C)(C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(Cl)cc1F ZINC000436989116 981671022 /nfs/dbraw/zinc/67/10/22/981671022.db2.gz NOLZCMKUZXJPGA-UHFFFAOYSA-N -1 3 418.896 3.883 20 0 HHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3C[C@@H](C)Oc4ccccc43)cs2)c1 ZINC000436989694 981671073 /nfs/dbraw/zinc/67/10/73/981671073.db2.gz OVNAQMWWTKLRFW-CQSZACIVSA-N -1 3 423.494 3.766 20 0 HHADHM CCN(C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1)[C@@H](C)c1cccnc1 ZINC000436991242 981671810 /nfs/dbraw/zinc/67/18/10/981671810.db2.gz UTCKMNQCCHUTQK-HNNXBMFYSA-N -1 3 424.526 3.957 20 0 HHADHM CSC1(CNC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)CCC1 ZINC000448414697 981765815 /nfs/dbraw/zinc/76/58/15/981765815.db2.gz OGRMXJMZOPSHJO-UHFFFAOYSA-N -1 3 415.740 3.960 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1Cc1nc(-c2ccccc2Br)no1 ZINC000460143155 981915236 /nfs/dbraw/zinc/91/52/36/981915236.db2.gz NMCLCHVSTJTDPL-UHFFFAOYSA-N -1 3 424.258 3.544 20 0 HHADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccsc2Cl)cc1Br ZINC000437669560 982285202 /nfs/dbraw/zinc/28/52/02/982285202.db2.gz BCZWMQGIQVXKIY-UHFFFAOYSA-N -1 3 409.714 3.923 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@H](C)Cc2cc(C)cc(C)c2)cc1OC ZINC000437853780 982410819 /nfs/dbraw/zinc/41/08/19/982410819.db2.gz XQOJEAXXNMZSFE-MRXNPFEDSA-N -1 3 419.547 3.826 20 0 HHADHM COC(=O)c1cc(Cl)c([N-]S(=O)(=O)Cc2cc(Cl)ccc2F)cc1OC ZINC000460753425 982510723 /nfs/dbraw/zinc/51/07/23/982510723.db2.gz COEUZINKAUAQLO-UHFFFAOYSA-N -1 3 422.261 3.870 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H]3C[C@H]3CC)c2)cc1 ZINC000438101240 982588724 /nfs/dbraw/zinc/58/87/24/982588724.db2.gz NYAASFMLLBQXPI-FOIQADDNSA-N -1 3 402.516 3.723 20 0 HHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc(OCc4ccccn4)cc3)cc2)n1 ZINC000460846703 982594295 /nfs/dbraw/zinc/59/42/95/982594295.db2.gz NMCKUEHWFIEDSS-UHFFFAOYSA-N -1 3 412.449 3.972 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ncoc2-c2ccc(C)cc2)cc1OC ZINC000460975275 982702774 /nfs/dbraw/zinc/70/27/74/982702774.db2.gz FCQBCXCBXKGXGV-UHFFFAOYSA-N -1 3 415.471 3.673 20 0 HHADHM O=C(c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)N1CCc2c1cccc2F ZINC000461052420 982752254 /nfs/dbraw/zinc/75/22/54/982752254.db2.gz OXHIOICAAPPGHH-UHFFFAOYSA-N -1 3 414.433 3.969 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000461308586 983006847 /nfs/dbraw/zinc/00/68/47/983006847.db2.gz NIPJRJKYOZGJOR-QVKFZJNVSA-N -1 3 420.488 3.822 20 0 HHADHM CCC(=O)NCc1cc(S(=O)(=O)[N-]c2cccc(C3CCC3)c2)ccc1OC ZINC000461333476 983024005 /nfs/dbraw/zinc/02/40/05/983024005.db2.gz SBVBGECCUGCZEM-UHFFFAOYSA-N -1 3 402.516 3.790 20 0 HHADHM CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000461425253 983088478 /nfs/dbraw/zinc/08/84/78/983088478.db2.gz DCBYHGYWJSHMAV-OAQYLSRUSA-N -1 3 411.452 3.715 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NC[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000438924460 983156571 /nfs/dbraw/zinc/15/65/71/983156571.db2.gz XXPOALSQNWDURN-GDBMZVCRSA-N -1 3 422.451 3.558 20 0 HHADHM O=C(c1ccc(O)cc1[O-])N(CCCn1ccnc1)Cc1c(F)cccc1Cl ZINC000439056720 983231334 /nfs/dbraw/zinc/23/13/34/983231334.db2.gz JICTZIILTXMVRR-UHFFFAOYSA-N -1 3 403.841 3.820 20 0 HHADHM C[S@](=O)c1ccc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cc1 ZINC000439063222 983233753 /nfs/dbraw/zinc/23/37/53/983233753.db2.gz ZVLLXDQRYQXAEY-JRPXNJEYSA-N -1 3 422.506 3.630 20 0 HHADHM Cn1c2cc([O-])c(NC(=O)[C@@H]3C[C@H]3c3ccc(Cl)c(Cl)c3)cc2n(C)c1=O ZINC000461615432 983240625 /nfs/dbraw/zinc/24/06/25/983240625.db2.gz ARTHNEYTWKQLEL-WDEREUQCSA-N -1 3 406.269 3.632 20 0 HHADHM C[C@@H](Oc1ccc(C(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)cc1)c1ccccc1 ZINC000461615442 983240657 /nfs/dbraw/zinc/24/06/57/983240657.db2.gz ASUFGDUEYFJRPC-OAHLLOKOSA-N -1 3 417.465 3.975 20 0 HHADHM Cn1c2cc([O-])c(NC(=O)[C@H]3C[C@@H]3c3ccc(Cl)c(Cl)c3)cc2n(C)c1=O ZINC000461615428 983240687 /nfs/dbraw/zinc/24/06/87/983240687.db2.gz ARTHNEYTWKQLEL-MNOVXSKESA-N -1 3 406.269 3.632 20 0 HHADHM Cn1c2cc([O-])c(NC(=O)c3cncc(-c4ccc(Cl)cc4)c3)cc2n(C)c1=O ZINC000461616141 983241212 /nfs/dbraw/zinc/24/12/12/983241212.db2.gz CHDRAOIKMLMIIG-UHFFFAOYSA-N -1 3 408.845 3.550 20 0 HHADHM O=S(=O)([N-][C@H](Cc1nnc[nH]1)c1ccccc1)c1ccc(Cl)c(F)c1Cl ZINC000439186359 983298502 /nfs/dbraw/zinc/29/85/02/983298502.db2.gz BMTZJOKDSBJCLB-GFCCVEGCSA-N -1 3 415.277 3.513 20 0 HHADHM CC(C)c1nnc2n1CCN(Cc1nc(=O)c3c(-c4ccco4)csc3[n-]1)[C@@H]2C ZINC000439292960 983348609 /nfs/dbraw/zinc/34/86/09/983348609.db2.gz HLSPOYREWQGCLY-GFCCVEGCSA-N -1 3 410.503 3.949 20 0 HHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000439508210 983432295 /nfs/dbraw/zinc/43/22/95/983432295.db2.gz BSYTXHRUXDIRGQ-UHFFFAOYSA-N -1 3 417.391 3.651 20 0 HHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000439508210 983432297 /nfs/dbraw/zinc/43/22/97/983432297.db2.gz BSYTXHRUXDIRGQ-UHFFFAOYSA-N -1 3 417.391 3.651 20 0 HHADHM CC[C@@H](CNC(=O)CCc1c(C)nc(C)[n-]c1=O)Oc1ccccc1C(F)(F)F ZINC000439656662 983486591 /nfs/dbraw/zinc/48/65/91/983486591.db2.gz UGFUEOVTPPGYOV-AWEZNQCLSA-N -1 3 411.424 3.724 20 0 HHADHM CN1CCC[C@@H](CNC(=O)c2nn(-c3ccccc3F)cc2[O-])[C@@H]1c1cccs1 ZINC000439826857 983551720 /nfs/dbraw/zinc/55/17/20/983551720.db2.gz ARPNNUOSRZJMOS-VBKZILBWSA-N -1 3 414.506 3.591 20 0 HHADHM C[C@@H](c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)cc1)N1CCOCC1 ZINC000439876437 983565626 /nfs/dbraw/zinc/56/56/26/983565626.db2.gz HDNFDUGXPUZHAE-INIZCTEOSA-N -1 3 416.543 3.594 20 0 HHADHM CCn1ncc(NC(=O)NCc2ccc([O-])c(Br)c2)c1C(F)(F)F ZINC000439893340 983573447 /nfs/dbraw/zinc/57/34/47/983573447.db2.gz KKLINORSQPWDBL-UHFFFAOYSA-N -1 3 407.190 3.712 20 0 HHADHM CCOCCOCc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)c1 ZINC000440299339 983710952 /nfs/dbraw/zinc/71/09/52/983710952.db2.gz ZKOQVYJFMFWNNW-UHFFFAOYSA-N -1 3 405.516 3.754 20 0 HHADHM CC[C@H](CNC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)Oc1ccccc1C(F)(F)F ZINC000440328318 983723884 /nfs/dbraw/zinc/72/38/84/983723884.db2.gz QIAMOCSMFSOTJR-GFCCVEGCSA-N -1 3 421.375 3.568 20 0 HHADHM Cc1cc(-c2cc(C(=O)Nc3c(C)[nH]c(=O)[n-]c3=O)c3cnn(C(C)C)c3n2)c(C)o1 ZINC000440377607 983738110 /nfs/dbraw/zinc/73/81/10/983738110.db2.gz SJQVRSNCVNWTID-UHFFFAOYSA-N -1 3 422.445 3.651 20 0 HHADHM C[C@H]([N-]S(=O)(=O)c1ccc2c(c1)CC(C)(C)O2)c1nc(-c2cccc(F)c2)no1 ZINC000440399269 983744417 /nfs/dbraw/zinc/74/44/17/983744417.db2.gz OEVNYCUWYYVBDA-LBPRGKRZSA-N -1 3 417.462 3.629 20 0 HHADHM Cn1cnc2cc(NC(=O)c3cccc(S(=O)(=O)[N-]c4ccccc4F)c3)ccc21 ZINC000440544013 983790462 /nfs/dbraw/zinc/79/04/62/983790462.db2.gz PZVKBQHKXGBLKR-UHFFFAOYSA-N -1 3 424.457 3.766 20 0 HHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CCc2cc(-c3cccc(F)c3)ccc21 ZINC000440745529 983882537 /nfs/dbraw/zinc/88/25/37/983882537.db2.gz GHUDQMFVRDNSHA-UHFFFAOYSA-N -1 3 401.397 3.971 20 0 HHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CCCC[C@@H](SC)C3)nc(=O)c2c1C ZINC000441110969 984073501 /nfs/dbraw/zinc/07/35/01/984073501.db2.gz IBBIIOIZEJPQDY-CHWSQXEVSA-N -1 3 409.577 3.748 20 0 HHADHM CCCc1ccccc1[N-]S(=O)(=O)c1ccc(NS(=O)(=O)C(C)C)c(F)c1 ZINC000441329224 984187939 /nfs/dbraw/zinc/18/79/39/984187939.db2.gz JFTVIXZZSUMIIT-UHFFFAOYSA-N -1 3 414.524 3.729 20 0 HHADHM CCC[C@@H]1[C@@H](C)CCCN1C(=O)C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000441355269 984204256 /nfs/dbraw/zinc/20/42/56/984204256.db2.gz GGGRCBGNVWBEHO-HNAYVOBHSA-N -1 3 410.518 3.777 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3cccc(COCC(F)(F)F)c3)nc2)n1 ZINC000441963211 984569493 /nfs/dbraw/zinc/56/94/93/984569493.db2.gz SOEQAMGDRPUTCR-UHFFFAOYSA-N -1 3 418.419 4.498 20 0 HHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3CCc4c3cccc4F)cs2)c1 ZINC000461748478 984758072 /nfs/dbraw/zinc/75/80/72/984758072.db2.gz UKESADASOJCZRQ-UHFFFAOYSA-N -1 3 411.458 3.680 20 0 HHADHM O=S(=O)(CC12CCC(CC1)C2)[N-]C1(c2noc([C@@H]3CCCO3)n2)CCCCCC1 ZINC000462094218 985065159 /nfs/dbraw/zinc/06/51/59/985065159.db2.gz WNCSBRIHZCEWSX-GNZRSQJKSA-N -1 3 423.579 3.970 20 0 HHADHM CN(C)C(=O)c1ccc(S(=O)(=O)[N-][C@@H](c2ccc(Cl)cc2)C(F)(F)F)cc1 ZINC000442609639 985089934 /nfs/dbraw/zinc/08/99/34/985089934.db2.gz ZGZDTYQZUAATSH-HNNXBMFYSA-N -1 3 420.840 3.624 20 0 HHADHM CCC[C@@H](C)N1Cc2cccc([N-]S(=O)(=O)c3ccc(C(=O)N(C)C)cc3)c2C1 ZINC000442615521 985093258 /nfs/dbraw/zinc/09/32/58/985093258.db2.gz CVZBHHFVCYMIGI-MRXNPFEDSA-N -1 3 415.559 3.693 20 0 HHADHM O=S(=O)([N-]C[C@@H]1CCN(c2ccccc2F)C1)c1cccc(Cl)c1Cl ZINC000462126062 985096320 /nfs/dbraw/zinc/09/63/20/985096320.db2.gz MHDJVVJWDNCGCG-LBPRGKRZSA-N -1 3 403.306 3.937 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@H](C)N(C)Cc2ccccc2)s1 ZINC000462139079 985110332 /nfs/dbraw/zinc/11/03/32/985110332.db2.gz MUNAXSQBWHWMOT-LBPRGKRZSA-N -1 3 417.394 3.618 20 0 HHADHM C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000462143644 985114726 /nfs/dbraw/zinc/11/47/26/985114726.db2.gz XMFKLWVVHWWWEC-JTQLQIEISA-N -1 3 423.254 3.772 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](C)COc2cccc(C)c2)s1 ZINC000462182196 985162074 /nfs/dbraw/zinc/16/20/74/985162074.db2.gz SLKGIZDUBGMUPR-NSHDSACASA-N -1 3 404.351 3.873 20 0 HHADHM C[C@@H](CC(=O)Nc1ccc(Cc2nnn[n-]2)cc1)c1ccc(F)c(Br)c1 ZINC000462186687 985168544 /nfs/dbraw/zinc/16/85/44/985168544.db2.gz HHZSFRZDGZKEHQ-NSHDSACASA-N -1 3 418.270 3.824 20 0 HHADHM C[C@@H](CC(=O)Nc1ccc(Cc2nn[n-]n2)cc1)c1ccc(F)c(Br)c1 ZINC000462186687 985168547 /nfs/dbraw/zinc/16/85/47/985168547.db2.gz HHZSFRZDGZKEHQ-NSHDSACASA-N -1 3 418.270 3.824 20 0 HHADHM COc1ccccc1[C@H](C[N-]S(=O)(=O)c1cnccc1C(F)(F)F)OC(C)C ZINC000442768435 985210430 /nfs/dbraw/zinc/21/04/30/985210430.db2.gz LOZJSLXXKUSVOV-INIZCTEOSA-N -1 3 418.437 3.554 20 0 HHADHM O=S(=O)([N-]Cc1ccc(OCC(F)(F)F)cc1)c1cnccc1C(F)(F)F ZINC000442913548 985276093 /nfs/dbraw/zinc/27/60/93/985276093.db2.gz OQGXZEPWTXRCDU-UHFFFAOYSA-N -1 3 414.327 3.520 20 0 HHADHM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2ccc(Br)c(C)c2)o1 ZINC000462310376 985297203 /nfs/dbraw/zinc/29/72/03/985297203.db2.gz CLISMWAZXJNHSJ-HNNXBMFYSA-N -1 3 402.310 3.579 20 0 HHADHM CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000462335869 985325879 /nfs/dbraw/zinc/32/58/79/985325879.db2.gz CGCPCINXJBKJOG-BMIGLBTASA-N -1 3 419.728 3.552 20 0 HHADHM O=S(=O)([N-]C1(c2ccc(Cl)cc2)CCOCC1)c1cc(F)c(F)c(F)c1 ZINC000462338594 985328338 /nfs/dbraw/zinc/32/83/38/985328338.db2.gz SVXCKECTQWQGMX-UHFFFAOYSA-N -1 3 405.825 3.742 20 0 HHADHM Cc1ccc([C@@H]2C[C@@H](C)CCN2S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)o1 ZINC000443017981 985338906 /nfs/dbraw/zinc/33/89/06/985338906.db2.gz ATYIBOCHUDXADL-ZBEGNZNMSA-N -1 3 421.910 3.583 20 0 HHADHM Cc1ccc([C@@H]2C[C@@H](C)CCN2S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)o1 ZINC000443017981 985338912 /nfs/dbraw/zinc/33/89/12/985338912.db2.gz ATYIBOCHUDXADL-ZBEGNZNMSA-N -1 3 421.910 3.583 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](C)CCc1ccc(OC(C)C)cc1 ZINC000443023950 985342122 /nfs/dbraw/zinc/34/21/22/985342122.db2.gz YWNGTDQEONUHEB-OAHLLOKOSA-N -1 3 423.506 3.699 20 0 HHADHM CC(C)[C@@H](C)N1Cc2cccc([N-]S(=O)(=O)c3cccc(C(=O)N(C)C)c3)c2C1 ZINC000462377236 985360951 /nfs/dbraw/zinc/36/09/51/985360951.db2.gz ADQZPGWKLNJFAD-MRXNPFEDSA-N -1 3 415.559 3.549 20 0 HHADHM COCCCN1Cc2cccc([N-]S(=O)(=O)c3ccc(OC(C)C)cc3)c2C1 ZINC000462377691 985361175 /nfs/dbraw/zinc/36/11/75/985361175.db2.gz CGTIPBJPBIINAL-UHFFFAOYSA-N -1 3 404.532 3.627 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C[C@H]1CCOc2ccccc21 ZINC000443077190 985364120 /nfs/dbraw/zinc/36/41/20/985364120.db2.gz ZPDAOGOXNYEUHW-CYBMUJFWSA-N -1 3 417.508 3.533 20 0 HHADHM COC(=O)c1nscc1S(=O)(=O)[N-]Cc1ccccc1Oc1cccc(C)c1 ZINC000443077447 985364324 /nfs/dbraw/zinc/36/43/24/985364324.db2.gz FCZCDAAEIVKYCO-UHFFFAOYSA-N -1 3 418.496 3.509 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H](C)Cc1cccc(OC)c1 ZINC000443080506 985365972 /nfs/dbraw/zinc/36/59/72/985365972.db2.gz MYOTXMFQHFRDQB-CYBMUJFWSA-N -1 3 419.524 3.606 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)c1ccccc1 ZINC000443086563 985368301 /nfs/dbraw/zinc/36/83/01/985368301.db2.gz GVAABRSZCXFTMW-IBGZPJMESA-N -1 3 413.470 3.875 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]CCc1c[nH]c2ccccc12 ZINC000443090559 985370415 /nfs/dbraw/zinc/37/04/15/985370415.db2.gz GJVXQXJLNNEIME-UHFFFAOYSA-N -1 3 414.508 3.690 20 0 HHADHM Cc1csc([C@H]([N-]S(=O)(=O)c2ccc(Br)c(F)c2)C2CC2)n1 ZINC000462390193 985371258 /nfs/dbraw/zinc/37/12/58/985371258.db2.gz GBCSMGIGACCJDA-CYBMUJFWSA-N -1 3 405.314 3.783 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]Cc1cccc(Oc2ccccc2)c1 ZINC000443094816 985372550 /nfs/dbraw/zinc/37/25/50/985372550.db2.gz MFDCUQLGWVVMBQ-UHFFFAOYSA-N -1 3 415.442 3.883 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](C)c1cccc(C(F)(F)F)c1 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402.505 3.832 20 0 HHADHM Cc1ccc(C[N-]S(=O)(=O)c2c(F)cccc2Cl)c(OC[C@@H]2CCCO2)c1 ZINC000464186058 988307835 /nfs/dbraw/zinc/30/78/35/988307835.db2.gz JWELKLDPXIXTLE-HNNXBMFYSA-N -1 3 413.898 3.824 20 0 HHADHM O=C(Nc1cccnc1)c1ccc(C[N-]S(=O)(=O)c2c(F)cccc2Cl)cc1 ZINC000464211295 988329181 /nfs/dbraw/zinc/32/91/81/988329181.db2.gz JDXCHVARHBVNBB-UHFFFAOYSA-N -1 3 419.865 3.605 20 0 HHADHM CCOc1cccc(C[N-]S(=O)(=O)c2c(F)cccc2Cl)c1OC(F)F ZINC000464213574 988331301 /nfs/dbraw/zinc/33/13/01/988331301.db2.gz HPBFPWZNCCMVSY-UHFFFAOYSA-N -1 3 409.813 3.958 20 0 HHADHM Cc1c(C(=O)[N-]c2nnc(Cc3cccc(Cl)c3)s2)nnn1-c1ccccc1 ZINC000464330416 988467295 /nfs/dbraw/zinc/46/72/95/988467295.db2.gz AWYGHPNXNFQAHB-UHFFFAOYSA-N -1 3 410.890 3.924 20 0 HHADHM C[C@H](OCc1ccccc1)C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000470490204 988481437 /nfs/dbraw/zinc/48/14/37/988481437.db2.gz QCAPHTOMYHECNI-LBPRGKRZSA-N -1 3 416.421 3.621 20 0 HHADHM CN1CCC[C@H](C[N-]S(=O)(=O)c2c(F)cccc2Cl)[C@H]1c1cccs1 ZINC000464416649 988588325 /nfs/dbraw/zinc/58/83/25/988588325.db2.gz DBEGXPQFFIDSKM-WBMJQRKESA-N -1 3 402.944 3.902 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2N2CCN(C)CC2)cc(C)c1F ZINC000470794954 988854051 /nfs/dbraw/zinc/85/40/51/988854051.db2.gz VQVQQVCZQCZZHW-UHFFFAOYSA-N -1 3 411.930 3.649 20 0 HHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)N(C)CC[C@@H](C)O)ccc2C)c(C)c1 ZINC000464745158 988965584 /nfs/dbraw/zinc/96/55/84/988965584.db2.gz UISVPHBSJBTCMW-GOSISDBHSA-N -1 3 418.559 3.564 20 0 HHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CCS[C@@H](C(C)C)C3)nc(=O)c2c1C ZINC000464767881 988990902 /nfs/dbraw/zinc/99/09/02/988990902.db2.gz DPJWQUZHWKSLPT-QWHCGFSZSA-N -1 3 409.577 3.604 20 0 HHADHM COC(=O)[C@@H]1c2ccccc2CCN1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000464826707 989065021 /nfs/dbraw/zinc/06/50/21/989065021.db2.gz FHDKKNPFXRKINH-IBGZPJMESA-N -1 3 421.478 3.929 20 0 HHADHM COC(=O)c1sc2[n-]c(CN3CC[C@H](C)C[C@H]3c3ccco3)nc(=O)c2c1C ZINC000464857635 989111378 /nfs/dbraw/zinc/11/13/78/989111378.db2.gz 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990052423 /nfs/dbraw/zinc/05/24/23/990052423.db2.gz FZRQPOFNPBIRFO-UHFFFAOYSA-N -1 3 424.258 3.636 20 0 HHADHM C[C@H]([N-]S(=O)(=O)c1cc2c(c(Cl)c1)O[C@H](C)C2)c1noc(-c2ccccc2)n1 ZINC000471889291 990062843 /nfs/dbraw/zinc/06/28/43/990062843.db2.gz SZJQKTOFNAOQJT-NEPJUHHUSA-N -1 3 419.890 3.753 20 0 HHADHM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc4n[nH]nc4c3)ccc2C)c1 ZINC000471935092 990100157 /nfs/dbraw/zinc/10/01/57/990100157.db2.gz DBGIEEZRJLVEIY-UHFFFAOYSA-N -1 3 421.482 3.628 20 0 HHADHM Cc1cc(NC(=O)CNC(=O)c2cc([O-])c3ccccc3c2)ccc1Br ZINC000471961086 990126243 /nfs/dbraw/zinc/12/62/43/990126243.db2.gz OJRIZVJFRMMYLM-UHFFFAOYSA-N -1 3 413.271 3.985 20 0 HHADHM Cc1nc2cc(C(=O)Nc3cc(C(F)(F)F)ccc3[N-]S(C)(=O)=O)ccc2o1 ZINC000472074690 990235330 /nfs/dbraw/zinc/23/53/30/990235330.db2.gz OKXSNLRJBLTAEL-UHFFFAOYSA-N -1 3 413.377 3.779 20 0 HHADHM CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000465974762 991127246 /nfs/dbraw/zinc/12/72/46/991127246.db2.gz AAAJRHHBTQXACA-IBGZPJMESA-N -1 3 407.436 3.788 20 0 HHADHM CC[C@]1(C)C[C@@H]1C(=O)NCc1cccc([N-]S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000466259351 991504445 /nfs/dbraw/zinc/50/44/45/991504445.db2.gz MPSIDKQLFVIHMY-TZIWHRDSSA-N -1 3 402.516 3.548 20 0 HHADHM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3cccc(-c4nccn4C)c3)cc2F)c1 ZINC000466377119 991658765 /nfs/dbraw/zinc/65/87/65/991658765.db2.gz QZOSXOROTMSNAY-UHFFFAOYSA-N -1 3 411.462 3.521 20 0 HHADHM O=S(=O)([N-]c1cc(Br)c(F)cc1F)c1cc(F)c(F)c(F)c1 ZINC000466463353 991754253 /nfs/dbraw/zinc/75/42/53/991754253.db2.gz GQHPQXJFMJRIOW-UHFFFAOYSA-N -1 3 402.138 3.945 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3ccc(C)cc3OC[C@H]3CCCO3)nc2)n1 ZINC000466808789 992118819 /nfs/dbraw/zinc/11/88/19/992118819.db2.gz HVEAGQYOBJZPAR-HXUWFJFHSA-N -1 3 420.513 4.285 20 0 HHADHM CO[C@@H](C[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F)C(C)(C)C ZINC000466875673 992197623 /nfs/dbraw/zinc/19/76/23/992197623.db2.gz CDYXFHLZELHLIP-LBPRGKRZSA-N -1 3 418.275 3.807 20 0 HHADHM CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)ccc1C)c1nc(C(F)(F)F)cs1 ZINC000466881548 992202927 /nfs/dbraw/zinc/20/29/27/992202927.db2.gz HINPEJFYHWPEGS-NSHDSACASA-N -1 3 422.450 3.687 20 0 HHADHM CC[C@H]([N-]S(=O)(=O)c1cc(OC)ccc1OC)c1nc(C(F)(F)F)cs1 ZINC000466900006 992217170 /nfs/dbraw/zinc/21/71/70/992217170.db2.gz OIGFSDZYEDFRRT-JTQLQIEISA-N -1 3 410.439 3.609 20 0 HHADHM O=S(=O)([N-]c1cccc(Cl)c1F)c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC000466966029 992277406 /nfs/dbraw/zinc/27/74/06/992277406.db2.gz RSNPBCWPZPBJID-LLVKDONJSA-N -1 3 403.834 3.834 20 0 HHADHM O=S(=O)([N-]c1cccc(Cl)c1F)c1ccc(OC[C@H]2CCOC2)c(F)c1 ZINC000466966030 992277503 /nfs/dbraw/zinc/27/75/03/992277503.db2.gz RSNPBCWPZPBJID-NSHDSACASA-N -1 3 403.834 3.834 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)C3CCC(=O)CC3)ccc2C)cc1 ZINC000467240225 992561370 /nfs/dbraw/zinc/56/13/70/992561370.db2.gz CTTWRNPXBOATGQ-UHFFFAOYSA-N -1 3 416.499 3.502 20 0 HHADHM CCC[C@H]1CCCN(C(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000467277672 992599570 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413.861 3.986 20 0 HHADHM O=C(NC[C@@H](O)COc1cccc(C(F)(F)F)c1)c1cc([O-])c2ccccc2c1 ZINC000472318852 993329842 /nfs/dbraw/zinc/32/98/42/993329842.db2.gz IGAYRIUGCBKGAT-MRXNPFEDSA-N -1 3 405.372 3.734 20 0 HHADHM Cc1nc(C[N-]S(=O)(=O)c2cn(CC(C)C)cn2)oc1-c1ccc(Cl)cc1 ZINC000472337876 993344940 /nfs/dbraw/zinc/34/49/40/993344940.db2.gz KLRJKSGDWZWNGB-UHFFFAOYSA-N -1 3 408.911 3.634 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N1CCCC2(CC2)C1 ZINC000472749853 993683314 /nfs/dbraw/zinc/68/33/14/993683314.db2.gz JVXOBICSEIXEBL-UHFFFAOYSA-N -1 3 402.491 3.951 20 0 HHADHM O=S(=O)([N-]C[C@H]1CCC2(CCCCC2)O1)c1cc(F)ccc1Br ZINC000480902807 993759881 /nfs/dbraw/zinc/75/98/81/993759881.db2.gz WABKXZYNRKLPLQ-CYBMUJFWSA-N -1 3 406.317 3.748 20 0 HHADHM O=S(=O)([N-]CCn1cnc2ccccc21)c1csc(-c2ccc(Cl)cc2)n1 ZINC000480923917 993775922 /nfs/dbraw/zinc/77/59/22/993775922.db2.gz YSFIFNDPKLNNDG-UHFFFAOYSA-N -1 3 418.931 3.792 20 0 HHADHM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc2ccccc2c1)c1ccc(OC)c(Cl)c1 ZINC000472955390 993888067 /nfs/dbraw/zinc/88/80/67/993888067.db2.gz QSXQWPAGVJUWRE-IBGZPJMESA-N -1 3 419.886 3.694 20 0 HHADHM Cc1ccc2nc(-c3ccc(NC(=O)C(=O)NCc4ncccc4[O-])cc3)sc2c1 ZINC000473054513 993973896 /nfs/dbraw/zinc/97/38/96/993973896.db2.gz DUYZEQSUZCJBBX-UHFFFAOYSA-N -1 3 418.478 3.627 20 0 HHADHM CO[C@@]1(C)CCCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)ccc2C)C1 ZINC000473349836 994211677 /nfs/dbraw/zinc/21/16/77/994211677.db2.gz LSXULGHQQBTYGX-NRFANRHFSA-N -1 3 420.506 3.576 20 0 HHADHM C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000473396773 994251207 /nfs/dbraw/zinc/25/12/07/994251207.db2.gz XUDDYIGOYMNHDE-PELKAZGASA-N -1 3 403.198 3.704 20 0 HHADHM CCCOc1cc(OC)ccc1C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000473409656 994262940 /nfs/dbraw/zinc/26/29/40/994262940.db2.gz CGSASXJBCGZSIB-UHFFFAOYSA-N -1 3 422.503 3.507 20 0 HHADHM Cc1ccsc1-c1nc(=NC(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)s[n-]1 ZINC000481428401 994263486 /nfs/dbraw/zinc/26/34/86/994263486.db2.gz UKYHEQYEHRDYTK-UKRRQHHQSA-N -1 3 401.561 3.810 20 0 HHADHM O=S(=O)([N-]CCc1cccc(OCC(F)(F)F)c1)c1cc(F)c(F)c(F)c1 ZINC000481471124 994305406 /nfs/dbraw/zinc/30/54/06/994305406.db2.gz FGZYZXILLMTCQD-UHFFFAOYSA-N -1 3 413.339 3.566 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1ccc(-n2cccn2)c(F)c1 ZINC000481486283 994319333 /nfs/dbraw/zinc/31/93/33/994319333.db2.gz ZACLDMNTJZJSDF-UHFFFAOYSA-N -1 3 405.227 3.801 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)NCC[C@@H]3COc4ccccc4O3)cc2)cc(=O)[n-]1 ZINC000481489800 994323662 /nfs/dbraw/zinc/32/36/62/994323662.db2.gz IYVMVBIVEYPYTN-QGZVFWFLSA-N -1 3 406.442 3.509 20 0 HHADHM Cc1cccc(S(=O)(=O)[N-][C@H](CO)c2ccc(Cl)cc2C(F)(F)F)c1F ZINC000481496413 994328748 /nfs/dbraw/zinc/32/87/48/994328748.db2.gz WIJKEEBCIKIAFX-CYBMUJFWSA-N -1 3 411.804 3.818 20 0 HHADHM C[C@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)[C@@H](C)c1ccccc1 ZINC000473545954 994406669 /nfs/dbraw/zinc/40/66/69/994406669.db2.gz VMCKLOJDGRVCST-CABCVRRESA-N -1 3 415.490 3.877 20 0 HHADHM O=C(NCc1ncccc1[O-])c1cc(Oc2cccc(Br)c2)ccn1 ZINC000473636207 994517435 /nfs/dbraw/zinc/51/74/35/994517435.db2.gz OKELGTXBOWYQJX-UHFFFAOYSA-N -1 3 400.232 3.667 20 0 HHADHM Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)NCc1ncccc1[O-] ZINC000473637764 994518908 /nfs/dbraw/zinc/51/89/08/994518908.db2.gz WPVUKWZWJJWHNI-UHFFFAOYSA-N -1 3 405.285 3.755 20 0 HHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1sc(C2CC2)nc1-c1ccccc1 ZINC000481791857 994639384 /nfs/dbraw/zinc/63/93/84/994639384.db2.gz WJLWNVWLVROLDN-UHFFFAOYSA-N -1 3 402.483 3.798 20 0 HHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1sc(C2CC2)nc1-c1ccccc1 ZINC000481791857 994639390 /nfs/dbraw/zinc/63/93/90/994639390.db2.gz WJLWNVWLVROLDN-UHFFFAOYSA-N -1 3 402.483 3.798 20 0 HHADHM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc(Cn3cnc4ccccc43)cc1)OCO2 ZINC000481812928 994662701 /nfs/dbraw/zinc/66/27/01/994662701.db2.gz DZXBGMBKIRIHJX-UHFFFAOYSA-N -1 3 421.478 3.923 20 0 HHADHM COc1ccc(Br)c(S(=O)(=O)[N-]c2c3c(ccc2Cl)OCC3)c1 ZINC000481863007 994723077 /nfs/dbraw/zinc/72/30/77/994723077.db2.gz HQPYSEOZIRTNDS-UHFFFAOYSA-N -1 3 418.696 3.847 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC[C@H]2CCC3(CCCCC3)O2)c1 ZINC000481891748 994761161 /nfs/dbraw/zinc/76/11/61/994761161.db2.gz QXIJTCVJYSWRBG-MRXNPFEDSA-N -1 3 413.474 3.553 20 0 HHADHM Cc1noc2nc(-c3ccc(C)cc3)cc(C(=O)NCc3nc(C(F)(F)F)n[n-]3)c12 ZINC000481918243 994790965 /nfs/dbraw/zinc/79/09/65/994790965.db2.gz GIBGKMXDRMDYBO-UHFFFAOYSA-N -1 3 416.363 3.574 20 0 HHADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1cc(NCc2ccccc2)nc2ccccc21 ZINC000473854305 994791116 /nfs/dbraw/zinc/79/11/16/994791116.db2.gz JXSHGDKIHPPTEO-OAQYLSRUSA-N -1 3 413.481 3.518 20 0 HHADHM Cc1cccc(N2CCC([N-]S(=O)(=O)c3ccc(Cl)c(F)c3Cl)CC2)n1 ZINC000473857013 994794521 /nfs/dbraw/zinc/79/45/21/994794521.db2.gz FTNSTCGHEKFIJS-UHFFFAOYSA-N -1 3 418.321 3.783 20 0 HHADHM Cc1nnc(SCc2c3ccccc3oc2C(=O)NCc2ncccc2[O-])s1 ZINC000473862416 994800767 /nfs/dbraw/zinc/80/07/67/994800767.db2.gz ZUFASXHGLBOHRD-UHFFFAOYSA-N -1 3 412.496 3.916 20 0 HHADHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2nc(-c3cccc(F)c3)no2)sc1Cl ZINC000473864170 994802579 /nfs/dbraw/zinc/80/25/79/994802579.db2.gz JMUFOLBUXYJIAC-SECBINFHSA-N -1 3 401.872 3.939 20 0 HHADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)c1cn(-c2ccccc2)nn1 ZINC000473865750 994804710 /nfs/dbraw/zinc/80/47/10/994804710.db2.gz XYVOMCQODGRLEV-JTQLQIEISA-N -1 3 415.277 3.753 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)F)cc2)cc1Br ZINC000481950821 994830971 /nfs/dbraw/zinc/83/09/71/994830971.db2.gz PBRJUIVNSBVHSF-UHFFFAOYSA-N -1 3 422.247 3.902 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]Cc2cccc(NC(=O)c3ccncc3)c2)sc1Cl ZINC000473917054 994885354 /nfs/dbraw/zinc/88/53/54/994885354.db2.gz CNHIRLQZNBGLJS-UHFFFAOYSA-N -1 3 421.931 3.836 20 0 HHADHM CC[C@@H](Cc1cccc(Br)c1)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000473937739 994911602 /nfs/dbraw/zinc/91/16/02/994911602.db2.gz QNGRAIAYYQVRAB-HNNXBMFYSA-N -1 3 414.307 3.760 20 0 HHADHM CC[C@@H](Cc1cccc(Br)c1)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000473937739 994911616 /nfs/dbraw/zinc/91/16/16/994911616.db2.gz QNGRAIAYYQVRAB-HNNXBMFYSA-N -1 3 414.307 3.760 20 0 HHADHM Cc1ccc(-n2ncc(C(=O)Nc3ccc(Cc4nnn[n-]4)cc3)c2C(C)C)cc1 ZINC000473940130 994914539 /nfs/dbraw/zinc/91/45/39/994914539.db2.gz LDVUNXZLQTUBDE-UHFFFAOYSA-N -1 3 401.474 3.660 20 0 HHADHM Cc1ccc(-n2ncc(C(=O)Nc3ccc(Cc4nn[n-]n4)cc3)c2C(C)C)cc1 ZINC000473940130 994914553 /nfs/dbraw/zinc/91/45/53/994914553.db2.gz LDVUNXZLQTUBDE-UHFFFAOYSA-N -1 3 401.474 3.660 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000482062692 994994512 /nfs/dbraw/zinc/99/45/12/994994512.db2.gz SGLMTWAHUHLQSC-INIZCTEOSA-N -1 3 422.451 3.510 20 0 HHADHM COC1(CC(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3F)c2)CCC1 ZINC000482072353 995006825 /nfs/dbraw/zinc/00/68/25/995006825.db2.gz IAAQKZMTORXOHL-UHFFFAOYSA-N -1 3 406.479 3.833 20 0 HHADHM O=C(NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1)NCc1ccc([O-])c(F)c1 ZINC000474037157 995026751 /nfs/dbraw/zinc/02/67/51/995026751.db2.gz BAVHIEPWDRFGCF-UHFFFAOYSA-N -1 3 411.408 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ZINC000474317418 995302375 /nfs/dbraw/zinc/30/23/75/995302375.db2.gz MNKPKUFQUIWTPZ-UHFFFAOYSA-N -1 3 405.520 3.901 20 0 HHADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000482361344 995342785 /nfs/dbraw/zinc/34/27/85/995342785.db2.gz LFLJQPPFPQLWIA-AWEZNQCLSA-N -1 3 416.927 3.573 20 0 HHADHM O=S(=O)([N-][C@H](Cc1ccccn1)c1ccc(Br)cc1)c1ccco1 ZINC000474381361 995359212 /nfs/dbraw/zinc/35/92/12/995359212.db2.gz MKADOFVPULZNDQ-MRXNPFEDSA-N -1 3 407.289 3.699 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2CCOc3c(C)cccc32)s1 ZINC000474385902 995362447 /nfs/dbraw/zinc/36/24/47/995362447.db2.gz VRXVITBCAPJBEX-CYBMUJFWSA-N -1 3 402.335 3.930 20 0 HHADHM O=C(NCCc1ccc2ccccc2n1)NCc1ccc([O-])c(Br)c1 ZINC000482473336 995478238 /nfs/dbraw/zinc/47/82/38/995478238.db2.gz BKPJJMDQGHIRDK-UHFFFAOYSA-N -1 3 400.276 3.745 20 0 HHADHM COc1ccccc1[C@@]1(C)C[C@@H]1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000482587127 995590127 /nfs/dbraw/zinc/59/01/27/995590127.db2.gz DSRHSUZJZIPBOX-PKOBYXMFSA-N -1 3 405.292 3.693 20 0 HHADHM C[C@H]1CCC[C@@H](NC(=O)c2c[n-]c3ccc(I)cc3c2=O)CC1 ZINC000474659687 995605620 /nfs/dbraw/zinc/60/56/20/995605620.db2.gz QGNFPVHBVCXNDD-WCQYABFASA-N -1 3 424.282 3.831 20 0 HHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc2nc(N3CCCC3)sc2c1 ZINC000474702284 995642182 /nfs/dbraw/zinc/64/21/82/995642182.db2.gz IMZAOSKDDDZBCR-UHFFFAOYSA-N -1 3 401.517 3.675 20 0 HHADHM Cc1nc2[nH]ccc2c(NCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)n1 ZINC000474779897 995706368 /nfs/dbraw/zinc/70/63/68/995706368.db2.gz ILTWEIJAQSQZKY-UHFFFAOYSA-N -1 3 411.462 3.818 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000482749280 995723307 /nfs/dbraw/zinc/72/33/07/995723307.db2.gz SBBQZUVRGPQNQU-UHFFFAOYSA-N -1 3 404.264 3.825 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1cccc(C(=O)N2CCCC2)c1 ZINC000482757280 995728383 /nfs/dbraw/zinc/72/83/83/995728383.db2.gz XIIXQKAXTZVDHH-UHFFFAOYSA-N -1 3 418.291 3.712 20 0 HHADHM C[C@@H](NC(=O)NCc1ccc([O-])c(Br)c1)c1ccccc1-n1cccn1 ZINC000482855603 995794457 /nfs/dbraw/zinc/79/44/57/995794457.db2.gz FPXZQCSHJXJYRG-CYBMUJFWSA-N -1 3 415.291 3.901 20 0 HHADHM COc1ccc([C@H](NC(=O)NCc2nc(C(F)(F)F)n[n-]2)c2ccc(F)cc2)cc1 ZINC000482878209 995811449 /nfs/dbraw/zinc/81/14/49/995811449.db2.gz ZIBLDDRGDVHRJJ-MRXNPFEDSA-N -1 3 423.370 3.560 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1cc(C(F)(F)F)c[nH]c1=O ZINC000482992540 995906672 /nfs/dbraw/zinc/90/66/72/995906672.db2.gz IYZBDWYFXQJQDV-UHFFFAOYSA-N -1 3 406.158 3.596 20 0 HHADHM COc1cc(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1[O-] ZINC000483190552 996028613 /nfs/dbraw/zinc/02/86/13/996028613.db2.gz DYDQRMOMGJGSGD-GFCCVEGCSA-N -1 3 411.285 3.725 20 0 HHADHM COc1ccc(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)c(OC(F)F)c1 ZINC000475258347 996029226 /nfs/dbraw/zinc/02/92/26/996029226.db2.gz UNPNIRZTWWCQOY-UHFFFAOYSA-N -1 3 401.369 3.608 20 0 HHADHM Cc1nc(CC(C)C)oc1C(=O)[N-]c1ncn(Cc2cccc(Br)c2)n1 ZINC000475261885 996031541 /nfs/dbraw/zinc/03/15/41/996031541.db2.gz UNFWJESENXIBEW-UHFFFAOYSA-N -1 3 418.295 3.836 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3 405.241 3.915 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@]2(C)CCCc3ccccc32)cc1OC ZINC000545898567 1008985795 /nfs/dbraw/zinc/98/57/95/1008985795.db2.gz CAQMSEWPEVFSRS-OAQYLSRUSA-N -1 3 417.531 3.830 20 0 HHADHM O=S(=O)([N-]C1CC(OCc2ccccc2)C1)c1cc(F)ccc1Br ZINC000545918137 1008997106 /nfs/dbraw/zinc/99/71/06/1008997106.db2.gz OXFNQZQPQFSBOU-UHFFFAOYSA-N -1 3 414.296 3.614 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)NCC(C)(C)c3ccc4c(c3)OCO4)cc2)cc(=O)[n-]1 ZINC000519910366 1009070590 /nfs/dbraw/zinc/07/05/90/1009070590.db2.gz ZKWLMJBGMILDNL-UHFFFAOYSA-N -1 3 420.469 3.986 20 0 HHADHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(Cn3cnc4ccccc43)cc2)c1 ZINC000519937395 1009090668 /nfs/dbraw/zinc/09/06/68/1009090668.db2.gz SYGXGUWNTVZSLK-UHFFFAOYSA-N -1 3 414.465 3.679 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)N[C@H](c3nccn3C)c3ccccc3)cc2)cc(=O)[n-]1 ZINC000519946625 1009097606 /nfs/dbraw/zinc/09/76/06/1009097606.db2.gz FCJBUAIWBVPOIL-NRFANRHFSA-N -1 3 414.469 3.802 20 0 HHADHM CC[C@H]([N-]S(=O)(=O)Cc1noc2ccccc12)c1nc(C(F)(F)F)cs1 ZINC000546177044 1009207494 /nfs/dbraw/zinc/20/74/94/1009207494.db2.gz QYENONIQGGVQKT-JTQLQIEISA-N -1 3 405.423 3.874 20 0 HHADHM O=S(=O)(Cc1ccnc(-c2ccc(Br)cc2)n1)c1cccc([O-])c1 ZINC000543619077 1009224518 /nfs/dbraw/zinc/22/45/18/1009224518.db2.gz ZKWKYSJUOSGKCP-UHFFFAOYSA-N -1 3 405.273 3.586 20 0 HHADHM COc1ccc(NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)cc1OC(C)C ZINC000546218282 1009244436 /nfs/dbraw/zinc/24/44/36/1009244436.db2.gz ZCVQMKDDIVLLJQ-UHFFFAOYSA-N -1 3 422.485 3.507 20 0 HHADHM O=S(=O)([N-]c1ccccc1F)c1ccc(-c2nc(Cc3ccncc3)no2)cc1 ZINC000546303098 1009321071 /nfs/dbraw/zinc/32/10/71/1009321071.db2.gz LINOEFZUOICIMT-UHFFFAOYSA-N -1 3 410.430 3.662 20 0 HHADHM CCOc1ccc(Br)cc1-c1noc(Cc2c(C)nc(C)[n-]c2=O)n1 ZINC000546340570 1009353388 /nfs/dbraw/zinc/35/33/88/1009353388.db2.gz WUHXQEFIAHIHFH-UHFFFAOYSA-N -1 3 405.252 3.601 20 0 HHADHM CC(C)Oc1ccc(-c2nc(C(=O)NCc3ccc(-c4nnn[n-]4)cc3)cs2)cc1 ZINC000520351583 1009488914 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1009688183 /nfs/dbraw/zinc/68/81/83/1009688183.db2.gz FKSXHLORWFTVTC-UHFFFAOYSA-N -1 3 411.805 3.548 20 0 HHADHM CCN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccc4c(c3)CC(C)(C)O4)ccc21 ZINC000546780082 1009746571 /nfs/dbraw/zinc/74/65/71/1009746571.db2.gz FETCTTRYRVKXRW-UHFFFAOYSA-N -1 3 400.500 3.500 20 0 HHADHM COCCC(C)(C)C[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000546782834 1009748132 /nfs/dbraw/zinc/74/81/32/1009748132.db2.gz BHJQRSHKMNDKRH-UHFFFAOYSA-N -1 3 418.275 3.809 20 0 HHADHM CCCCc1nc2cc([N-]S(=O)(=O)c3ccccc3Cn3ccnc3)ccc2[nH]1 ZINC000546794728 1009760889 /nfs/dbraw/zinc/76/08/89/1009760889.db2.gz DPXQAIMLSFOUFG-UHFFFAOYSA-N -1 3 409.515 3.951 20 0 HHADHM O=C(N[C@@H]1CCc2ccc(F)cc21)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000520731823 1009800629 /nfs/dbraw/zinc/80/06/29/1009800629.db2.gz YMFMVPXSHWGSTK-QGZVFWFLSA-N -1 3 417.437 3.511 20 0 HHADHM Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1NC(=O)CN1CCCCC1 ZINC000520767985 1009837112 /nfs/dbraw/zinc/83/71/12/1009837112.db2.gz MXOSTXHGSDKIND-UHFFFAOYSA-N 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1010766911 /nfs/dbraw/zinc/76/69/11/1010766911.db2.gz OGBAJOCHCJEGBV-UHFFFAOYSA-N -1 3 416.890 3.886 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)NCc3nc(-c4ccncc4)cs3)cc2)cc(=O)[n-]1 ZINC000522062183 1010785110 /nfs/dbraw/zinc/78/51/10/1010785110.db2.gz GUTFDVGXLKHDCS-UHFFFAOYSA-N -1 3 418.482 3.998 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(CCC(C)C)cc2)cc1C(=O)N(C)C ZINC000522365198 1010960284 /nfs/dbraw/zinc/96/02/84/1010960284.db2.gz OXVQXVKAGVEUNS-UHFFFAOYSA-N -1 3 404.532 3.786 20 0 HHADHM O=S(=O)([N-][C@@H]1C[C@@H]1c1c(F)cccc1F)c1cc(Br)ccc1F ZINC000522557043 1011078509 /nfs/dbraw/zinc/07/85/09/1011078509.db2.gz PKLHKUMCFBVZFI-TVQRCGJNSA-N -1 3 406.223 3.701 20 0 HHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000536128077 1011250839 /nfs/dbraw/zinc/25/08/39/1011250839.db2.gz YXUMXYDJYOJEEJ-SECBINFHSA-N -1 3 400.303 3.681 20 0 HHADHM CCOC(=O)c1ccc(NC(=O)Cn2c3ccccc3nc2C(F)(F)F)c([O-])c1 ZINC000536194719 1011336523 /nfs/dbraw/zinc/33/65/23/1011336523.db2.gz 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967791179 /nfs/dbraw/zinc/79/11/79/967791179.db2.gz ONWKKRNGSLNUHG-HSZRJFAPSA-N -1 3 415.449 3.578 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3scnc3C)ccc2C)cc1 ZINC000046572268 967864153 /nfs/dbraw/zinc/86/41/53/967864153.db2.gz MBOSIOUSXNBMMN-UHFFFAOYSA-N -1 3 417.512 3.822 20 0 HHADHM O=C(NCc1cccc(F)c1)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000046654654 967906779 /nfs/dbraw/zinc/90/67/79/967906779.db2.gz VFSPPNKSSUCZLH-UHFFFAOYSA-N -1 3 417.289 3.503 20 0 HHADHM COc1cc([C@@H](C)NC(=O)N[N-]C(=O)c2ccccc2F)ccc1OC1CCCC1 ZINC000046670039 967912350 /nfs/dbraw/zinc/91/23/50/967912350.db2.gz BGLDDVWAGOGPDM-CQSZACIVSA-N -1 3 415.465 3.861 20 0 HHADHM COc1ccc(C(=O)N[C@H](C)c2ccc(OCc3ccncc3)c(OC)c2)c([O-])c1 ZINC000046671615 967912980 /nfs/dbraw/zinc/91/29/80/967912980.db2.gz PHPVIFUSBFKXHW-OAHLLOKOSA-N -1 3 408.454 3.874 20 0 HHADHM O=C([N-]c1nnc(-c2ccccn2)s1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000046754798 967953468 /nfs/dbraw/zinc/95/34/68/967953468.db2.gz DAEDBYPJWXZTRC-UHFFFAOYSA-N -1 3 406.221 3.523 20 0 HHADHM C[C@H](Cc1ccccc1Cl)NC(=O)N[N-]C(=O)c1ccccc1Br ZINC000047117139 968056718 /nfs/dbraw/zinc/05/67/18/968056718.db2.gz KUQJQTGAFBUDPP-LLVKDONJSA-N -1 3 410.699 3.678 20 0 HHADHM COCCCCNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000047200152 968086778 /nfs/dbraw/zinc/08/67/78/968086778.db2.gz YNHIGGSFAFYOFS-UHFFFAOYSA-N -1 3 418.559 3.877 20 0 HHADHM CN(C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)[C@@H]1CCc2ccccc21 ZINC000047297730 968129041 /nfs/dbraw/zinc/12/90/41/968129041.db2.gz NKKFYSHFQSKVBQ-HXUWFJFHSA-N -1 3 413.474 3.714 20 0 HHADHM CCc1ccc(CN(C)C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)cc1 ZINC000047296302 968129194 /nfs/dbraw/zinc/12/91/94/968129194.db2.gz AVARVXYNJOKEAA-UHFFFAOYSA-N -1 3 415.490 3.789 20 0 HHADHM CC(C)Oc1ccc(C(=O)N[N-]C(=O)c2ccc(Br)cc2Cl)cc1 ZINC000048165789 968466933 /nfs/dbraw/zinc/46/69/33/968466933.db2.gz BLDASBPSIILDDW-UHFFFAOYSA-N -1 3 411.683 3.965 20 0 HHADHM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1cc(F)cc2[nH]cnc21 ZINC000048323178 968520963 /nfs/dbraw/zinc/52/09/63/968520963.db2.gz MCFSQMQWTZVZKP-UHFFFAOYSA-N -1 3 410.430 3.755 20 0 HHADHM COc1ccccc1CC(=O)N[N-]C(=O)c1cccnc1Sc1ccc(C)c(C)c1 ZINC000065664887 968579563 /nfs/dbraw/zinc/57/95/63/968579563.db2.gz HFFPUVIFELQCQM-UHFFFAOYSA-N -1 3 421.522 3.862 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NCC(C)(C)c2ccccc2)cc1OC ZINC000065789036 968644008 /nfs/dbraw/zinc/64/40/08/968644008.db2.gz DKYHARQPSPVIER-UHFFFAOYSA-N -1 3 405.520 3.556 20 0 HHADHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(OCCCC)c2)ccc1F ZINC000065818709 968661406 /nfs/dbraw/zinc/66/14/06/968661406.db2.gz AVYUDIAEEWESAL-UHFFFAOYSA-N -1 3 406.479 3.721 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NC2(c3ccc(F)cc3)CCC2)cc1OC ZINC000065828025 968666582 /nfs/dbraw/zinc/66/65/82/968666582.db2.gz SKFSXTXNDVFMFF-UHFFFAOYSA-N -1 3 421.494 3.797 20 0 HHADHM O=S(=O)([N-][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1ccc(Br)s1 ZINC000538283739 1013820675 /nfs/dbraw/zinc/82/06/75/1013820675.db2.gz VKQRZHRLVQMHSZ-SMDDNHRTSA-N 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C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl)N1CCCC1 ZINC000097173659 969099418 /nfs/dbraw/zinc/09/94/18/969099418.db2.gz DRMNUCRNRUXFDA-VIFPVBQESA-N -1 3 416.168 3.519 20 0 HHADHM CC(C)C[N-]S(=O)(=O)c1cc(C(=O)N2CCC(C)CC2)c(Cl)cc1Cl ZINC000098067646 969188859 /nfs/dbraw/zinc/18/88/59/969188859.db2.gz UJUHSFSCGJLOKX-UHFFFAOYSA-N -1 3 407.363 3.800 20 0 HHADHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H](C)c1nc2ccccc2n1C(F)F ZINC000104893736 969210356 /nfs/dbraw/zinc/21/03/56/969210356.db2.gz NRZNIGNIHSKRLS-ZDUSSCGKSA-N -1 3 414.412 3.845 20 0 HHADHM Cc1c([O-])ccc2c(CSc3nnc([C@@H]4COc5ccccc5O4)o3)cc(=O)oc12 ZINC000104926271 969212769 /nfs/dbraw/zinc/21/27/69/969212769.db2.gz LSHHKKCYEOAKQA-KRWDZBQOSA-N -1 3 424.434 3.995 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)COc2ccc3ccccc3c2)cc1OC ZINC000108549468 969393376 /nfs/dbraw/zinc/39/33/76/969393376.db2.gz ZLGMXJCNIMCRBA-UHFFFAOYSA-N -1 3 414.483 3.628 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)Nc1ccc(N(C)C(C)C)c(F)c1 ZINC000109776273 969564624 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969986816 /nfs/dbraw/zinc/98/68/16/969986816.db2.gz VRNHYRBLTBCNSY-CYBMUJFWSA-N -1 3 413.442 3.798 20 0 HHADHM O=C(Nc1ccccc1CN1CCSCC1)c1cc(Br)ccc1[O-] ZINC000195744331 969996361 /nfs/dbraw/zinc/99/63/61/969996361.db2.gz PNLAOXXHMOIIEX-UHFFFAOYSA-N -1 3 407.333 3.956 20 0 HHADHM CCOc1cc(/C=C\C(=O)c2ccc(OCC(=O)N(C)C)cc2)cc(Cl)c1[O-] ZINC000211163713 970027594 /nfs/dbraw/zinc/02/75/94/970027594.db2.gz PXLZMNZSOCQOQQ-YHYXMXQVSA-N -1 3 403.862 3.807 20 0 HHADHM CCN(C[C@@H]1CCOC1)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C ZINC000141204098 970102692 /nfs/dbraw/zinc/10/26/92/970102692.db2.gz HIHTZUFGWNUMAF-SFHVURJKSA-N -1 3 416.543 3.603 20 0 HHADHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1nn(-c2ccccc2C)c2c1CCC2 ZINC000143152964 970183737 /nfs/dbraw/zinc/18/37/37/970183737.db2.gz IUGMKNOZTGXPHR-QGZVFWFLSA-N -1 3 414.465 3.639 20 0 HHADHM CN(C)CCN(CC(=O)[O-])C(=O)c1ccc(Oc2cccc(Cl)c2Cl)cc1 ZINC000237141271 970230452 /nfs/dbraw/zinc/23/04/52/970230452.db2.gz XUNCRXBKIDFJPJ-UHFFFAOYSA-N -1 3 411.285 3.874 20 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972571745 /nfs/dbraw/zinc/57/17/45/972571745.db2.gz ISDUBMFEEJRBIH-HNAYVOBHSA-N -1 3 416.518 3.532 20 0 HHADHM CC(C)N(C)C[C@H](C)[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000314473124 972639845 /nfs/dbraw/zinc/63/98/45/972639845.db2.gz IKQUEESNQBUCOA-VIFPVBQESA-N -1 3 418.184 3.763 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]Cc2ccccc2OC(F)F)sc1Br ZINC000316905955 972653502 /nfs/dbraw/zinc/65/35/02/972653502.db2.gz CTBGTNMBPGOTSA-UHFFFAOYSA-N -1 3 412.277 3.899 20 0 HHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cccc(Br)c1Cl ZINC000317994157 972659309 /nfs/dbraw/zinc/65/93/09/972659309.db2.gz NOEQMMPWRGFHSY-UHFFFAOYSA-N -1 3 403.685 3.726 20 0 HHADHM COc1cccc(CC[N-]S(=O)(=O)c2c(Cl)cccc2Br)c1 ZINC000318788917 972666545 /nfs/dbraw/zinc/66/65/45/972666545.db2.gz SEIXZXFKSDTYLB-UHFFFAOYSA-N -1 3 404.713 3.632 20 0 HHADHM C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1ccc(Br)cc1[O-] ZINC000383122417 972790158 /nfs/dbraw/zinc/79/01/58/972790158.db2.gz ZWSAASYDZUNJTA-OAHLLOKOSA-N -1 3 403.320 3.891 20 0 HHADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000554825126 1014061610 /nfs/dbraw/zinc/06/16/10/1014061610.db2.gz QMBMMSQTBAQMPF-MUJYYYPQSA-N -1 3 424.975 3.617 20 0 HHADHM COC(=O)c1csc(S(=O)(=O)[N-]Cc2ccccc2OCc2ccccc2)c1 ZINC000409477732 972927100 /nfs/dbraw/zinc/92/71/00/972927100.db2.gz YALOBUKZZJOFPO-UHFFFAOYSA-N -1 3 417.508 3.592 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]CCc1cccc2[nH]ccc21 ZINC000409921142 973382512 /nfs/dbraw/zinc/38/25/12/973382512.db2.gz IBCDEIPZGCCNSZ-UHFFFAOYSA-N -1 3 414.508 3.690 20 0 HHADHM Cc1nc(C)n(Cc2cccc([N-]S(=O)(=O)c3ccc(OCC(C)C)cc3)c2)n1 ZINC000425940546 974050307 /nfs/dbraw/zinc/05/03/07/974050307.db2.gz HVJPJRBQFUMUEG-UHFFFAOYSA-N -1 3 414.531 3.779 20 0 HHADHM Cc1c(C(=O)[N-]c2nnc(Cc3ccc(Cl)cc3)s2)nnn1-c1ccccc1 ZINC000426325123 974397945 /nfs/dbraw/zinc/39/79/45/974397945.db2.gz UAOXREQRMSPEAH-UHFFFAOYSA-N -1 3 410.890 3.924 20 0 HHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc(Cl)c(C[S@@](C)=O)c3)c[n-]c12 ZINC000426326725 974398774 /nfs/dbraw/zinc/39/87/74/974398774.db2.gz MHDMPPQPNDUWCO-HHHXNRCGSA-N -1 3 406.866 3.760 20 0 HHADHM COC(=O)c1ccc(-c2nc(CC(=O)Nc3ccc(Oc4ccccc4)cc3)no2)[n-]1 ZINC000426432893 974445800 /nfs/dbraw/zinc/44/58/00/974445800.db2.gz JDSDRHRBRZMADJ-UHFFFAOYSA-N -1 3 418.409 3.825 20 0 HHADHM COc1cc(Br)c(CNCC[C@@H](Cc2ccccc2)C(=O)[O-])c(OC)c1 ZINC000426640789 974578153 /nfs/dbraw/zinc/57/81/53/974578153.db2.gz VGYCIMDXIWJCNV-HNNXBMFYSA-N -1 3 422.319 3.890 20 0 HHADHM O=C([O-])[C@H](CNCc1cc(Br)c(Cl)s1)Oc1ccc(F)cc1 ZINC000426653843 974584549 /nfs/dbraw/zinc/58/45/49/974584549.db2.gz GDGAKXUPUICGBF-LBPRGKRZSA-N -1 3 408.676 3.925 20 0 HHADHM O=C([O-])[C@@H](CCCNCc1cn(-c2ccc(F)c(Cl)c2)nn1)Cc1ccccc1 ZINC000426675497 974594616 /nfs/dbraw/zinc/59/46/16/974594616.db2.gz SRYUWBYQRANNDM-INIZCTEOSA-N -1 3 416.884 3.873 20 0 HHADHM Cc1ccc([C@@H](NCc2cc(Br)c3c(c2)OCCCO3)C(=O)[O-])cc1 ZINC000426708011 974608357 /nfs/dbraw/zinc/60/83/57/974608357.db2.gz FWLHMTUIMOKNET-QGZVFWFLSA-N -1 3 406.276 3.834 20 0 HHADHM COc1cccc(CSC[C@H](NCc2cc(OC)cc3c2O[C@@H](C)C3)C(=O)[O-])c1 ZINC000426719749 974614352 /nfs/dbraw/zinc/61/43/52/974614352.db2.gz JHFCRTDXTGLOCS-XOBRGWDASA-N -1 3 417.527 3.503 20 0 HHADHM C[C@@H](C(=O)[O-])[C@@H](NCc1cc(Br)c2c(c1)OCCO2)c1ccccc1 ZINC000426721978 974615676 /nfs/dbraw/zinc/61/56/76/974615676.db2.gz UKZUMMBVAGZICZ-SJKOYZFVSA-N -1 3 406.276 3.772 20 0 HHADHM O=C([O-])[C@H](CN1CCCc2ccccc21)NCc1cc(Br)ccc1F ZINC000426730829 974621010 /nfs/dbraw/zinc/62/10/10/974621010.db2.gz BNRIZPHYRZCSNP-KRWDZBQOSA-N -1 3 407.283 3.584 20 0 HHADHM O=C([O-])[C@@H](CN1CCCCC1)NCc1csc(-c2cccc(Br)c2)n1 ZINC000426738125 974625703 /nfs/dbraw/zinc/62/57/03/974625703.db2.gz SYHRIDFVEOGWPD-MRXNPFEDSA-N -1 3 424.364 3.601 20 0 HHADHM COc1ccc(Br)c(CN[C@H](CSCCc2ccccc2)C(=O)[O-])c1 ZINC000426742220 974629119 /nfs/dbraw/zinc/62/91/19/974629119.db2.gz IXZSJOJMWGJSNU-GOSISDBHSA-N -1 3 424.360 3.976 20 0 HHADHM COc1cc2c(c(CN[C@@H](CSCCc3ccccc3)C(=O)[O-])c1)O[C@H](C)C2 ZINC000426743833 974629841 /nfs/dbraw/zinc/62/98/41/974629841.db2.gz PHXWGJINLMWYDF-QRWLVFNGSA-N -1 3 401.528 3.537 20 0 HHADHM CCC[C@@H](C)C[C@H](NCc1ncc(Br)cc1Br)C(=O)[O-] ZINC000426819575 974684965 /nfs/dbraw/zinc/68/49/65/974684965.db2.gz IKMFNVNUDVVLCF-SKDRFNHKSA-N -1 3 408.134 3.976 20 0 HHADHM COc1ccc([C@H](NCc2ccc(OCC(F)(F)F)c(OC)c2)C(=O)[O-])cc1F ZINC000426828975 974693913 /nfs/dbraw/zinc/69/39/13/974693913.db2.gz NEOXLNNPQAHKRL-KRWDZBQOSA-N -1 3 417.355 3.700 20 0 HHADHM COCCc1nc(=NC[C@@H]2CCCN(C)[C@H]2c2ccc(C(F)(F)F)cc2)s[n-]1 ZINC000426889183 974733753 /nfs/dbraw/zinc/73/37/53/974733753.db2.gz DFUJJMQCRULIOY-YOEHRIQHSA-N -1 3 414.497 3.663 20 0 HHADHM O=C(CCCOc1ccc2c(c1)NC(=O)CC2)Nc1cc(Br)ccc1[O-] ZINC000426953540 974774928 /nfs/dbraw/zinc/77/49/28/974774928.db2.gz IWBWFIMSMBKYEN-UHFFFAOYSA-N -1 3 419.275 3.837 20 0 HHADHM Cc1cc(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)c2ccc(Br)cc2n1 ZINC000427085062 974890088 /nfs/dbraw/zinc/89/00/88/974890088.db2.gz PEZOTTIVIBGKQI-UHFFFAOYSA-N -1 3 423.274 3.662 20 0 HHADHM Cc1cc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)c2ccc(Br)cc2n1 ZINC000427085062 974890090 /nfs/dbraw/zinc/89/00/90/974890090.db2.gz PEZOTTIVIBGKQI-UHFFFAOYSA-N -1 3 423.274 3.662 20 0 HHADHM CCc1oc(C(=O)OC)cc1CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000427124913 974923344 /nfs/dbraw/zinc/92/33/44/974923344.db2.gz XJOXFGXCZVTGEQ-UHFFFAOYSA-N -1 3 410.455 3.755 20 0 HHADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 ZINC000427150645 974942020 /nfs/dbraw/zinc/94/20/20/974942020.db2.gz RJWBTCKFWMCPRF-UHFFFAOYSA-N -1 3 409.229 3.729 20 0 HHADHM CC[S@](=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000427263258 975012283 /nfs/dbraw/zinc/01/22/83/975012283.db2.gz RPEJEQGSYFEDNQ-CTRJTCCGSA-N -1 3 417.902 3.717 20 0 HHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1)c1nc(Cc2ccccc2)no1 ZINC000427285475 975024567 /nfs/dbraw/zinc/02/45/67/975024567.db2.gz WMFLTMVWOHSTRW-GFCCVEGCSA-N -1 3 411.405 3.719 20 0 HHADHM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000427294526 975031661 /nfs/dbraw/zinc/03/16/61/975031661.db2.gz FLJZQMFKBOEZRL-IRXDYDNUSA-N -1 3 402.491 3.889 20 0 HHADHM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000427294524 975031777 /nfs/dbraw/zinc/03/17/77/975031777.db2.gz FLJZQMFKBOEZRL-CALCHBBNSA-N -1 3 402.491 3.889 20 0 HHADHM C/C(=C/c1ccccc1)CN(C)C(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000427542991 975173715 /nfs/dbraw/zinc/17/37/15/975173715.db2.gz IUHJLPXCROQSKG-ICFOKQHNSA-N -1 3 402.498 3.635 20 0 HHADHM CCOC(=O)c1cc(COC)cc(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)c1 ZINC000427773702 975280801 /nfs/dbraw/zinc/28/08/01/975280801.db2.gz LQPCFDDPTOLVQR-UHFFFAOYSA-N -1 3 419.286 3.512 20 0 HHADHM COCCN(Cc1ccc(Br)s1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000427793870 975292582 /nfs/dbraw/zinc/29/25/82/975292582.db2.gz CTUBRHGNHKQSJM-UHFFFAOYSA-N -1 3 421.316 3.641 20 0 HHADHM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1cnn(-c2ccccc2)c1)c1ccco1 ZINC000427800869 975297260 /nfs/dbraw/zinc/29/72/60/975297260.db2.gz IDEPZTFFBWNPHT-OAQYLSRUSA-N -1 3 409.467 3.542 20 0 HHADHM Cn1c2cc([O-])c(NC(=O)C3(Cc4cccc(Cl)c4)CCCC3)cc2n(C)c1=O ZINC000428003532 975382404 /nfs/dbraw/zinc/38/24/04/975382404.db2.gz CBKNKXKKQHNZLO-UHFFFAOYSA-N -1 3 413.905 3.978 20 0 HHADHM C[C@@H]([N-]S(=O)(=O)c1cnc2ccccc2c1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000428311474 975618425 /nfs/dbraw/zinc/61/84/25/975618425.db2.gz BXIQSXRJKHZEFY-GFCCVEGCSA-N -1 3 414.874 3.978 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N1CC2(C1)CCCC2 ZINC000428448538 975757911 /nfs/dbraw/zinc/75/79/11/975757911.db2.gz SAVNMGOUMOPYCV-UHFFFAOYSA-N -1 3 402.491 3.951 20 0 HHADHM CCOc1nc(C(F)(F)F)ccc1C(=O)[N-]c1nnc(-c2ccsc2)s1 ZINC000428911462 976213621 /nfs/dbraw/zinc/21/36/21/976213621.db2.gz DVJBBZIHPNWKAY-UHFFFAOYSA-N -1 3 400.407 4.331 20 0 HHADHM O=C(CCc1cc(Cl)ccc1Br)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000429791005 977069578 /nfs/dbraw/zinc/06/95/78/977069578.db2.gz HFVXFABZUVQZHJ-UHFFFAOYSA-N -1 3 406.671 3.854 20 0 HHADHM O=C(CCc1cc(Cl)ccc1Br)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000429791005 977069585 /nfs/dbraw/zinc/06/95/85/977069585.db2.gz HFVXFABZUVQZHJ-UHFFFAOYSA-N -1 3 406.671 3.854 20 0 HHADHM CC(C)C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Br)CCO1 ZINC000429841097 977112584 /nfs/dbraw/zinc/11/25/84/977112584.db2.gz DBBZOHAJVVKUJK-STQMWFEESA-N -1 3 410.761 3.975 20 0 HHADHM O=S(=O)([N-]Cc1c(F)cc(F)c(F)c1F)c1ccc(Br)s1 ZINC000429909281 977185060 /nfs/dbraw/zinc/18/50/60/977185060.db2.gz LXHVHEBYKIDOJQ-UHFFFAOYSA-N -1 3 404.204 3.546 20 0 HHADHM COCCN(CC(C)C)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430442667 977553160 /nfs/dbraw/zinc/55/31/60/977553160.db2.gz ZDFHXDVVTQQGQQ-UHFFFAOYSA-N -1 3 415.715 3.689 20 0 HHADHM CC[C@@H]1CN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)CCS1 ZINC000430613596 977655153 /nfs/dbraw/zinc/65/51/53/977655153.db2.gz WXPJAEYSKLIRBU-SNVBAGLBSA-N -1 3 415.740 3.912 20 0 HHADHM Cn1nc2c(c1NC(=O)c1c[n-]c3ccc(Oc4ccccc4)cc3c1=O)CCC2 ZINC000430661349 977674322 /nfs/dbraw/zinc/67/43/22/977674322.db2.gz HBSDZFCXKDSKQR-UHFFFAOYSA-N -1 3 400.438 3.795 20 0 HHADHM COC(=O)c1sc2[n-]c(CN3c4ccccc4S[C@H](C)[C@@H]3C)nc(=O)c2c1C ZINC000431004933 977949783 /nfs/dbraw/zinc/94/97/83/977949783.db2.gz JGIJURQGXDUNDG-NWDGAFQWSA-N -1 3 415.540 3.969 20 0 HHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H]1c2cccc(F)c2CC[C@H]1C ZINC000431052105 977981142 /nfs/dbraw/zinc/98/11/42/977981142.db2.gz UHPRFSYUVIISDK-ASSNKEHSSA-N -1 3 406.461 3.674 20 0 HHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)NC[C@H]2CCC(F)(F)C2)CC1 ZINC000431089936 978011794 /nfs/dbraw/zinc/01/17/94/978011794.db2.gz WSKCJMADJVEAQN-LBPRGKRZSA-N -1 3 415.868 3.841 20 0 HHADHM O=S(=O)([N-]c1cc(F)cc(F)c1F)c1cccc(I)c1 ZINC000431182843 978081448 /nfs/dbraw/zinc/08/14/48/978081448.db2.gz WFIKVLKFHAPCCU-UHFFFAOYSA-N -1 3 413.158 3.509 20 0 HHADHM O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1cc([O-])ccc1Cl ZINC000431243450 978128076 /nfs/dbraw/zinc/12/80/76/978128076.db2.gz CUMPYYKJJYIQRN-UHFFFAOYSA-N -1 3 415.298 3.736 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3nc(C)oc3C)ccc2C)cc1 ZINC000431263786 978150046 /nfs/dbraw/zinc/15/00/46/978150046.db2.gz MRPCHHFUHKFMAN-UHFFFAOYSA-N -1 3 415.471 3.662 20 0 HHADHM O=C(NC[C@H]1CCCN(C(=O)c2cc([O-])ccc2Cl)C1)Nc1cccc(F)c1 ZINC000431782054 978509130 /nfs/dbraw/zinc/50/91/30/978509130.db2.gz CGFOBGOFDYYOAZ-CYBMUJFWSA-N -1 3 405.857 3.859 20 0 HHADHM O=C(NC[C@@H]1CCCN(C(=O)c2cc([O-])ccc2Cl)C1)Nc1cccc(F)c1 ZINC000431782055 978509203 /nfs/dbraw/zinc/50/92/03/978509203.db2.gz CGFOBGOFDYYOAZ-ZDUSSCGKSA-N -1 3 405.857 3.859 20 0 HHADHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](c2ccccc2)c2ccc(F)cc2)oc1C ZINC000431811927 978531519 /nfs/dbraw/zinc/53/15/19/978531519.db2.gz PZFCCJNXRQUGGS-IBGZPJMESA-N -1 3 403.431 3.582 20 0 HHADHM O=C1[C@H](Cc2ccccc2)N(C2CC2)C(=O)N1Cc1ccc([O-])c(Br)c1 ZINC000431869724 978564482 /nfs/dbraw/zinc/56/44/82/978564482.db2.gz GKAFWGVKUGIBNF-KRWDZBQOSA-N -1 3 415.287 3.693 20 0 HHADHM C[C@H]([N-]S(=O)(=O)c1cccc(C(F)(F)F)c1)c1noc(Cc2ccccc2)n1 ZINC000431902080 978587432 /nfs/dbraw/zinc/58/74/32/978587432.db2.gz ZZTJJZJPWDIUBV-LBPRGKRZSA-N -1 3 411.405 3.719 20 0 HHADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]c1cc2c(cc1Cl)CCC2=O ZINC000432076390 978670501 /nfs/dbraw/zinc/67/05/01/978670501.db2.gz LMGCLIXGUCOXOG-UHFFFAOYSA-N -1 3 414.266 3.710 20 0 HHADHM COc1cc(F)c(S(=O)(=O)[N-]CC[C@H](c2ccccc2)C(F)(F)F)cc1OC ZINC000432287584 978745217 /nfs/dbraw/zinc/74/52/17/978745217.db2.gz SYHHJRYSANYPFF-CYBMUJFWSA-N -1 3 421.412 3.857 20 0 HHADHM O=S(=O)([N-]CC[C@@H](c1ccccc1)C(F)(F)F)c1cnn(-c2ccccc2)c1 ZINC000432309861 978756122 /nfs/dbraw/zinc/75/61/22/978756122.db2.gz ZTGZTSIGNBYSKC-SFHVURJKSA-N -1 3 409.433 3.887 20 0 HHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cccc(OCC(F)(F)F)c3)cc2)n1 ZINC000432443918 978815387 /nfs/dbraw/zinc/81/53/87/978815387.db2.gz ATTAVAGFQYBGEG-UHFFFAOYSA-N -1 3 403.360 3.939 20 0 HHADHM CN(C)[C@@H]1CCOc2c([N-]S(=O)(=O)c3ccc(CC(F)(F)F)cc3)cccc21 ZINC000432471826 978832205 /nfs/dbraw/zinc/83/22/05/978832205.db2.gz YWTGVVQRJLMDHD-QGZVFWFLSA-N -1 3 414.449 3.977 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]c2cccc3c2OCC[C@@H]3N(C)C)ccc1OC(C)C ZINC000432495301 978848453 /nfs/dbraw/zinc/84/84/53/978848453.db2.gz QNSQYIIXBZWDEV-IBGZPJMESA-N -1 3 404.532 3.968 20 0 HHADHM CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)c1C ZINC000432648152 978924883 /nfs/dbraw/zinc/92/48/83/978924883.db2.gz IMVPPDMAMYYMHU-UHFFFAOYSA-N -1 3 405.520 3.972 20 0 HHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cc(C(F)(F)F)ccc1Br ZINC000432680216 978934499 /nfs/dbraw/zinc/93/44/99/978934499.db2.gz KWFFNWDVNLOFSZ-UHFFFAOYSA-N -1 3 412.169 3.900 20 0 HHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc(C(F)(F)F)ccc1Br ZINC000432680216 978934503 /nfs/dbraw/zinc/93/45/03/978934503.db2.gz KWFFNWDVNLOFSZ-UHFFFAOYSA-N -1 3 412.169 3.900 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)Nc3cccc(Cl)c3F)c2)[n-]1 ZINC000432904264 979006500 /nfs/dbraw/zinc/00/65/00/979006500.db2.gz PCYCRGFIRMDXGP-UHFFFAOYSA-N -1 3 417.828 3.763 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)Nc3cccc(Cl)c3F)c2)n[n-]1 ZINC000432904264 979006504 /nfs/dbraw/zinc/00/65/04/979006504.db2.gz PCYCRGFIRMDXGP-UHFFFAOYSA-N -1 3 417.828 3.763 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNc3ncnc4sc5c(c43)CCC5)c2)[n-]1 ZINC000432939926 979017076 /nfs/dbraw/zinc/01/70/76/979017076.db2.gz SJOOKKHDBCWXBQ-UHFFFAOYSA-N -1 3 420.498 3.754 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNc3ncnc4sc5c(c43)CCC5)c2)n[n-]1 ZINC000432939926 979017079 /nfs/dbraw/zinc/01/70/79/979017079.db2.gz SJOOKKHDBCWXBQ-UHFFFAOYSA-N -1 3 420.498 3.754 20 0 HHADHM O=C(Nc1cccc(OCc2cn3ccccc3n2)c1)c1cc(F)cc2n[n-]nc21 ZINC000433347593 979253012 /nfs/dbraw/zinc/25/30/12/979253012.db2.gz OASHMUPGIJDQHG-UHFFFAOYSA-N -1 3 402.389 3.576 20 0 HHADHM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2cc(CN3CCCC3)ccc2C)c1C ZINC000433388568 979270223 /nfs/dbraw/zinc/27/02/23/979270223.db2.gz VBLRQVGJWLPNJP-UHFFFAOYSA-N -1 3 419.547 3.513 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]CCc2ccc3ccccc3n2)sc1Br ZINC000433825128 979604320 /nfs/dbraw/zinc/60/43/20/979604320.db2.gz XPBUTZMRVPWICN-UHFFFAOYSA-N -1 3 411.346 3.888 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)Nc3cc4[nH]ccc4cc3C)c2)[n-]1 ZINC000433832007 979611109 /nfs/dbraw/zinc/61/11/09/979611109.db2.gz QCRQIWRBECSDEU-UHFFFAOYSA-N -1 3 418.457 3.760 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)Nc3cc4[nH]ccc4cc3C)c2)n[n-]1 ZINC000433832007 979611115 /nfs/dbraw/zinc/61/11/15/979611115.db2.gz QCRQIWRBECSDEU-UHFFFAOYSA-N -1 3 418.457 3.760 20 0 HHADHM O=C([N-]c1nc(CN2CCCCC2)cs1)c1cc(-c2ccc3c(c2)CCO3)no1 ZINC000433831835 979611157 /nfs/dbraw/zinc/61/11/57/979611157.db2.gz PJOREYOERJOIJF-UHFFFAOYSA-N -1 3 410.499 3.971 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)c(C)o1 ZINC000433953420 979711612 /nfs/dbraw/zinc/71/16/12/979711612.db2.gz JWEYGOCQXVCVFC-LJQANCHMSA-N -1 3 418.902 3.669 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)N[C@@H](CC)c3ccc(C)cc3)c2)[n-]1 ZINC000433989578 979738701 /nfs/dbraw/zinc/73/87/01/979738701.db2.gz GKICGVXKMZRIBE-IBGZPJMESA-N -1 3 421.501 3.907 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)N[C@@H](CC)c3ccc(C)cc3)c2)n[n-]1 ZINC000433989578 979738722 /nfs/dbraw/zinc/73/87/22/979738722.db2.gz GKICGVXKMZRIBE-IBGZPJMESA-N -1 3 421.501 3.907 20 0 HHADHM CCC[C@H](NC(=O)NCc1cccc(-c2nnc(C(=O)OCC)[n-]2)c1)c1ccccc1 ZINC000434002061 979749651 /nfs/dbraw/zinc/74/96/51/979749651.db2.gz MBVJRMLRTAEVBB-IBGZPJMESA-N -1 3 421.501 3.989 20 0 HHADHM CCC[C@H](NC(=O)NCc1cccc(-c2n[n-]c(C(=O)OCC)n2)c1)c1ccccc1 ZINC000434002061 979749654 /nfs/dbraw/zinc/74/96/54/979749654.db2.gz MBVJRMLRTAEVBB-IBGZPJMESA-N -1 3 421.501 3.989 20 0 HHADHM COC(=O)c1c([N-]C(=O)c2cc(-c3ccc4c(c3)CCO4)no2)sc2c1CCC2 ZINC000434005512 979752071 /nfs/dbraw/zinc/75/20/71/979752071.db2.gz XMWIFSVVLRMZOE-UHFFFAOYSA-N -1 3 410.451 3.866 20 0 HHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)[C@@H](c1c(F)cccc1Cl)N1CCCCC1 ZINC000434068705 979809755 /nfs/dbraw/zinc/80/97/55/979809755.db2.gz SJIRAKFWAXHJHK-GOSISDBHSA-N -1 3 414.872 3.825 20 0 HHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)[C@@H](c1c(F)cccc1Cl)N1CCCCC1 ZINC000434068705 979809767 /nfs/dbraw/zinc/80/97/67/979809767.db2.gz SJIRAKFWAXHJHK-GOSISDBHSA-N -1 3 414.872 3.825 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)N[C@H](C)c3cc(C)cc(C)c3)c2)[n-]1 ZINC000434189555 979955426 /nfs/dbraw/zinc/95/54/26/979955426.db2.gz CMNKTVLEDJXTEV-MRXNPFEDSA-N -1 3 421.501 3.826 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)N[C@H](C)c3cc(C)cc(C)c3)c2)n[n-]1 ZINC000434189555 979955429 /nfs/dbraw/zinc/95/54/29/979955429.db2.gz CMNKTVLEDJXTEV-MRXNPFEDSA-N -1 3 421.501 3.826 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C)cc2OCc2ccccc2)c(C)o1 ZINC000434195303 979960979 /nfs/dbraw/zinc/96/09/79/979960979.db2.gz IKWYCNMGGKIGLT-UHFFFAOYSA-N -1 3 414.483 3.636 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N3C[C@H](C)c4ccccc43)c2)n1 ZINC000434421180 980161887 /nfs/dbraw/zinc/16/18/87/980161887.db2.gz VDRDTUWAKSDQHH-AWEZNQCLSA-N -1 3 402.454 3.500 20 0 HHADHM CC(C)(C)[C@H]1OCCC[C@@H]1C[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000435225416 980733580 /nfs/dbraw/zinc/73/35/80/980733580.db2.gz JJADDSKONMBYGJ-ABAIWWIYSA-N -1 3 408.333 3.708 20 0 HHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCCCc3ccccn3)c2)cc1 ZINC000435425996 980856693 /nfs/dbraw/zinc/85/66/93/980856693.db2.gz FOCFKTFALJMZHO-UHFFFAOYSA-N -1 3 423.538 3.862 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H]1C[C@H]1c1cccc(F)c1 ZINC000435437992 980862793 /nfs/dbraw/zinc/86/27/93/980862793.db2.gz NFXRSGMYFIGTIN-GJZGRUSLSA-N -1 3 405.472 3.661 20 0 HHADHM CSc1ccc(CC[N-]S(=O)(=O)c2cc(F)ccc2Br)cc1 ZINC000435604368 980958288 /nfs/dbraw/zinc/95/82/88/980958288.db2.gz PAFYBGQLPYBSQA-UHFFFAOYSA-N -1 3 404.326 3.831 20 0 HHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)c1Cl ZINC000435623355 980965555 /nfs/dbraw/zinc/96/55/55/980965555.db2.gz UNJKHGWIFKMZGK-KGLIPLIRSA-N -1 3 419.374 3.761 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NCc1c(C)c(C)c(C)c(C)c1C ZINC000435687600 980987216 /nfs/dbraw/zinc/98/72/16/980987216.db2.gz HIPPEWLASVOYGT-UHFFFAOYSA-N -1 3 418.541 3.931 20 0 HHADHM O=C(NC[C@H]1CCC(F)(F)C1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000435962925 981116977 /nfs/dbraw/zinc/11/69/77/981116977.db2.gz UEGWZSCZUMHHQN-ZDUSSCGKSA-N -1 3 412.433 3.792 20 0 HHADHM C[C@@H]1[C@H](c2ccccc2)c2ccccc2CCN1C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000435980881 981129587 /nfs/dbraw/zinc/12/95/87/981129587.db2.gz UJUSVCIGRNICEG-WAIKUNEKSA-N -1 3 410.473 3.789 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cn(CC)nc3C(F)(F)F)c2)n1 ZINC000436132721 981213726 /nfs/dbraw/zinc/21/37/26/981213726.db2.gz NARCPEZIFSSMPS-UHFFFAOYSA-N -1 3 405.380 3.899 20 0 HHADHM CC(C)Oc1ccc([N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)c(Cl)c1 ZINC000436147013 981220171 /nfs/dbraw/zinc/22/01/71/981220171.db2.gz BWHZPJXJUIOZAX-UHFFFAOYSA-N -1 3 412.870 3.952 20 0 HHADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C)c2F)cc1Br ZINC000436160038 981227314 /nfs/dbraw/zinc/22/73/14/981227314.db2.gz JTOLEJIMOSKZDN-UHFFFAOYSA-N -1 3 401.257 3.656 20 0 HHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1Cl ZINC000436163674 981229186 /nfs/dbraw/zinc/22/91/86/981229186.db2.gz WXPFVPIKPNDNMH-UHFFFAOYSA-N -1 3 401.843 3.854 20 0 HHADHM COC[C@@H]([N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl)c1ccc(F)cc1 ZINC000436172134 981233263 /nfs/dbraw/zinc/23/32/63/981233263.db2.gz MTRBJADBRAIMFT-GFCCVEGCSA-N -1 3 408.278 3.807 20 0 HHADHM COC[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)c1ccc(F)cc1 ZINC000436196121 981244341 /nfs/dbraw/zinc/24/43/41/981244341.db2.gz HVDBNYGNLFHGGB-AWEZNQCLSA-N -1 3 422.703 3.908 20 0 HHADHM CS(=O)(=O)[N-]c1ccc(-c2nc(Cc3cc(Br)cs3)no2)cc1 ZINC000436299474 981287908 /nfs/dbraw/zinc/28/79/08/981287908.db2.gz GMIRTKBJTZKEKV-UHFFFAOYSA-N -1 3 414.306 3.523 20 0 HHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)c1noc2c1CCCCC2 ZINC000436427160 981361850 /nfs/dbraw/zinc/36/18/50/981361850.db2.gz ZQZQSVFILREIGZ-UHFFFAOYSA-N -1 3 417.409 3.586 20 0 HHADHM O=S(=O)([N-]c1ccc(-c2nc[nH]n2)cc1F)c1ccc(OC(F)F)c(Cl)c1 ZINC000436478196 981393659 /nfs/dbraw/zinc/39/36/59/981393659.db2.gz OFJFKKMWQFISCR-UHFFFAOYSA-N -1 3 418.784 3.666 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(-c3nnc[nH]3)c2)cc1C(F)(F)F ZINC000436479463 981394586 /nfs/dbraw/zinc/39/45/86/981394586.db2.gz UKNIBALHGRHHSA-UHFFFAOYSA-N -1 3 400.357 3.739 20 0 HHADHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000436483272 981396124 /nfs/dbraw/zinc/39/61/24/981396124.db2.gz FVOCFUPBRKUFIB-UHFFFAOYSA-N -1 3 401.772 3.616 20 0 HHADHM CN(C[C@@H](O)COCc1ccccc1)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436511872 981410168 /nfs/dbraw/zinc/41/01/68/981410168.db2.gz IFQYNZOHUVXSGT-JOCHJYFZSA-N -1 3 405.494 3.633 20 0 HHADHM CCOC[C@@H]1CCCN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000436520793 981414255 /nfs/dbraw/zinc/41/42/55/981414255.db2.gz AIEXRZAPQFMJQP-GCJKJVERSA-N -1 3 410.514 3.529 20 0 HHADHM COC1CCC(N(C)C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC1 ZINC000436522516 981415942 /nfs/dbraw/zinc/41/59/42/981415942.db2.gz LYCIMICKYRVDFH-VTLFHKLASA-N -1 3 410.514 3.669 20 0 HHADHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000436524142 981416548 /nfs/dbraw/zinc/41/65/48/981416548.db2.gz FTIUBXFYTOULQH-UHFFFAOYSA-N -1 3 401.772 3.616 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1cccc2[nH]cnc21 ZINC000436524869 981417327 /nfs/dbraw/zinc/41/73/27/981417327.db2.gz KWSVMLGTMUZMCH-FQEVSTJZSA-N -1 3 400.438 3.768 20 0 HHADHM CC(C)C[C@@H]1COCCN1C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436524264 981417391 /nfs/dbraw/zinc/41/73/91/981417391.db2.gz FZMYAPPULSFAOS-IRLDBZIGSA-N -1 3 410.514 3.527 20 0 HHADHM COc1ccc(C(=O)NCc2cccc(C(=O)NCc3ccc(C)cc3)c2)c([O-])c1 ZINC000436524557 981417404 /nfs/dbraw/zinc/41/74/04/981417404.db2.gz JGAXZFBVPMOELW-UHFFFAOYSA-N -1 3 404.466 3.569 20 0 HHADHM CCc1cnc(CCNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)s1 ZINC000436524960 981417465 /nfs/dbraw/zinc/41/74/65/981417465.db2.gz CFJOMECVIPDBCC-HXUWFJFHSA-N -1 3 423.538 3.631 20 0 HHADHM CO[C@]1(C)C[C@@H](NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1(C)C ZINC000436524607 981417627 /nfs/dbraw/zinc/41/76/27/981417627.db2.gz AQUHJGRKURFCFV-YOSAUDMPSA-N -1 3 410.514 3.573 20 0 HHADHM O=C(Nc1cccc(N2CCCS2(=O)=O)c1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436532627 981424196 /nfs/dbraw/zinc/42/41/96/981424196.db2.gz WEVAHFIHAVTFGO-UHFFFAOYSA-N -1 3 424.478 3.977 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@@H](CCO)C1CCCCC1 ZINC000436533292 981425149 /nfs/dbraw/zinc/42/51/49/981425149.db2.gz IMLPCCPYBWUCFW-XZOQPEGZSA-N -1 3 424.541 3.701 20 0 HHADHM CCN(CCc1nccs1)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436534631 981425955 /nfs/dbraw/zinc/42/59/55/981425955.db2.gz LTECJYNCSOUHPX-HXUWFJFHSA-N -1 3 423.538 3.801 20 0 HHADHM O=C(Nc1ccccc1CN1CCSCC1)c1ccc(Br)cc1[O-] ZINC000436536081 981426620 /nfs/dbraw/zinc/42/66/20/981426620.db2.gz CPIHFEFQIRBAEJ-UHFFFAOYSA-N -1 3 407.333 3.956 20 0 HHADHM O=C(Nc1cccc(-c2nccs2)c1)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436537294 981427536 /nfs/dbraw/zinc/42/75/36/981427536.db2.gz OXCOZZLKDOAEBP-UHFFFAOYSA-N -1 3 422.510 3.942 20 0 HHADHM O=C(Nc1cccc(CS(=O)(=O)C2CCCCC2)c1)c1cc2c(cc1[O-])OCO2 ZINC000436548346 981435523 /nfs/dbraw/zinc/43/55/23/981435523.db2.gz QTKYQISGANJEPM-UHFFFAOYSA-N -1 3 417.483 3.621 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCCC[C@@H]1CCCC[C@H]1O ZINC000436552851 981438167 /nfs/dbraw/zinc/43/81/67/981438167.db2.gz ASGJDMQCWWFNBU-AJSBUHFISA-N -1 3 424.541 3.701 20 0 HHADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000436553779 981439796 /nfs/dbraw/zinc/43/97/96/981439796.db2.gz HAFVGCVRFNBHNG-HXUWFJFHSA-N -1 3 423.900 3.716 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCc2cccc(F)c21 ZINC000436555609 981440954 /nfs/dbraw/zinc/44/09/54/981440954.db2.gz LJUNZLKXGMJGSO-NRFANRHFSA-N -1 3 404.441 3.982 20 0 HHADHM Cc1noc(C)c1[C@H](C)CNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436556345 981441662 /nfs/dbraw/zinc/44/16/62/981441662.db2.gz NWNYBUWJSVRYQX-QVKFZJNVSA-N -1 3 421.497 3.778 20 0 HHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000436557565 981442333 /nfs/dbraw/zinc/44/23/33/981442333.db2.gz XJMBLDOALHJCPR-INIZCTEOSA-N -1 3 404.470 3.742 20 0 HHADHM CC[C@@H](c1nnc(N2CCN(C(=O)c3ccc([O-])cc3)CC2)n1CC)c1ccccc1 ZINC000436557596 981442447 /nfs/dbraw/zinc/44/24/47/981442447.db2.gz RWGOZXWNFBQXHG-OAQYLSRUSA-N -1 3 419.529 3.508 20 0 HHADHM CC(C)CO[C@@H]1CCN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000436558164 981443212 /nfs/dbraw/zinc/44/32/12/981443212.db2.gz UJKCLWAOBYTCTC-FGZHOGPDSA-N -1 3 410.514 3.527 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@H]1CCOC2(CCCC2)C1 ZINC000436558642 981443370 /nfs/dbraw/zinc/44/33/70/981443370.db2.gz QYPCDLJSUYVOLI-UNMCSNQZSA-N -1 3 422.525 3.861 20 0 HHADHM C[C@@H](CCO)C1(CNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCC1 ZINC000436559589 981444025 /nfs/dbraw/zinc/44/40/25/981444025.db2.gz AAYXQKIFYKXJRZ-AVRDEDQJSA-N -1 3 424.541 3.558 20 0 HHADHM O=C(c1cc2c(cc1[O-])OCO2)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000436559978 981444063 /nfs/dbraw/zinc/44/40/63/981444063.db2.gz ZKCIFFAWJOMVDS-UHFFFAOYSA-N -1 3 411.435 3.801 20 0 HHADHM CN(CC1(c2ccc(Br)cc2)CC1)C(=O)c1cc2c(cc1[O-])OCO2 ZINC000436561988 981445434 /nfs/dbraw/zinc/44/54/34/981445434.db2.gz HXYNVEMYSDWSJH-UHFFFAOYSA-N -1 3 404.260 3.687 20 0 HHADHM Cc1[nH]nc(C(F)F)c1NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436561058 981445571 /nfs/dbraw/zinc/44/55/71/981445571.db2.gz HLMYSJYTAHHRHV-INIZCTEOSA-N -1 3 414.412 3.861 20 0 HHADHM CCCN1CCN(c2ccc(NC(=O)c3cc(F)c([O-])c(F)c3)c(OCC)c2)CC1 ZINC000436562931 981446252 /nfs/dbraw/zinc/44/62/52/981446252.db2.gz LRUUBIOGOZGDIC-UHFFFAOYSA-N -1 3 419.472 3.853 20 0 HHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCNC(=O)C[C@H]1c1ccccc1 ZINC000436563741 981447125 /nfs/dbraw/zinc/44/71/25/981447125.db2.gz QATYXDFJBOMNIF-NRFANRHFSA-N -1 3 402.450 3.888 20 0 HHADHM CN(Cc1ccc(S(C)(=O)=O)cc1)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436564774 981447885 /nfs/dbraw/zinc/44/78/85/981447885.db2.gz SRSMUWWZPYTYDH-UHFFFAOYSA-N -1 3 409.507 3.659 20 0 HHADHM CN1CCc2ccc(NC(=O)C[C@H](NC(=O)c3ccc([O-])cc3)c3ccccc3)cc21 ZINC000436567182 981449142 /nfs/dbraw/zinc/44/91/42/981449142.db2.gz ZHDWNQKEZJYUMT-QFIPXVFZSA-N -1 3 415.493 3.884 20 0 HHADHM CCc1ccc([C@H](NC(=O)c2ccccc2[O-])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000436573247 981452722 /nfs/dbraw/zinc/45/27/22/981452722.db2.gz HYKAAGRIAMTHSG-QFIPXVFZSA-N -1 3 409.507 3.878 20 0 HHADHM O=C(Nc1cccc(N2CCCS2(=O)=O)c1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436573740 981453398 /nfs/dbraw/zinc/45/33/98/981453398.db2.gz DIINJKWFMVKSDE-UHFFFAOYSA-N -1 3 422.506 3.775 20 0 HHADHM C[C@H](NC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-])c1nc[nH]n1 ZINC000436573882 981453456 /nfs/dbraw/zinc/45/34/56/981453456.db2.gz JDKHSCWBGISFGF-VIFPVBQESA-N -1 3 420.256 3.560 20 0 HHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000436573779 981453525 /nfs/dbraw/zinc/45/35/25/981453525.db2.gz DPWGJNPKIRJSBQ-HXUWFJFHSA-N -1 3 416.525 3.735 20 0 HHADHM Cc1ccc(-c2nc(COc3ccc(I)cc3)no2)c([O-])c1 ZINC000436574931 981454034 /nfs/dbraw/zinc/45/40/34/981454034.db2.gz HGTOEZXCEKTYJW-UHFFFAOYSA-N -1 3 408.195 3.934 20 0 HHADHM O=C(Nc1ccc(C2=NNC(=O)CC2)cc1)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436575306 981454266 /nfs/dbraw/zinc/45/42/66/981454266.db2.gz OBYOJOVDWADCJS-UHFFFAOYSA-N -1 3 415.449 3.838 20 0 HHADHM Cc1nc2ccc(NC(=O)[C@H]3CCCN3C(=O)c3ccc4ccccc4c3[O-])cc2[nH]1 ZINC000436578788 981456419 /nfs/dbraw/zinc/45/64/19/981456419.db2.gz SJZNYANORCHTHO-OAQYLSRUSA-N -1 3 414.465 3.973 20 0 HHADHM CN(C(=O)c1cc(Oc2ccccc2)ccc1[O-])[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000436582360 981458895 /nfs/dbraw/zinc/45/88/95/981458895.db2.gz HMQKSFTVBGIGQM-AZUAARDMSA-N -1 3 403.500 3.612 20 0 HHADHM O=C(c1cccs1)N1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000436586510 981461336 /nfs/dbraw/zinc/46/13/36/981461336.db2.gz VVNKKTOWWSYVKF-UHFFFAOYSA-N -1 3 406.507 3.643 20 0 HHADHM CN(C)CC(=O)Nc1ccc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])cc1 ZINC000436586119 981461550 /nfs/dbraw/zinc/46/15/50/981461550.db2.gz UYTXRQSDUJUYDQ-UHFFFAOYSA-N -1 3 403.482 3.735 20 0 HHADHM CN(C(=O)c1cc(CCc2ccccc2)ccc1[O-])[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000436588828 981462699 /nfs/dbraw/zinc/46/26/99/981462699.db2.gz ODPCBDNFTFRHBP-IRLDBZIGSA-N -1 3 415.555 3.605 20 0 HHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1c[nH]cc1-c1ccc(F)cc1 ZINC000436595253 981465745 /nfs/dbraw/zinc/46/57/45/981465745.db2.gz KTNNVOVAALCPQY-UHFFFAOYSA-N -1 3 407.445 3.561 20 0 HHADHM COc1ccc(C(=O)NC2(c3noc([C@@H]4CCCO4)n3)CCCCCC2)c([O-])c1 ZINC000436602990 981469051 /nfs/dbraw/zinc/46/90/51/981469051.db2.gz KXYGSJZLRRKNPB-KRWDZBQOSA-N -1 3 401.463 3.615 20 0 HHADHM CC(C)[C@@H](NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(Cl)cc1 ZINC000436606752 981471075 /nfs/dbraw/zinc/47/10/75/981471075.db2.gz MUYPYILYDKPEQU-HXUWFJFHSA-N -1 3 415.921 3.910 20 0 HHADHM O=C(c1ccc(Br)cc1[O-])N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000436608490 981472250 /nfs/dbraw/zinc/47/22/50/981472250.db2.gz UJPQXEXRSFVGSN-OAHLLOKOSA-N -1 3 413.275 3.917 20 0 HHADHM COC(=O)c1ccc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cc1 ZINC000436609726 981472924 /nfs/dbraw/zinc/47/29/24/981472924.db2.gz WBTKKDVBQTUUMY-NRFANRHFSA-N -1 3 418.449 3.679 20 0 HHADHM O=C(Nc1ccc(Oc2ccccc2)nc1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436615697 981475863 /nfs/dbraw/zinc/47/58/63/981475863.db2.gz BOGKRUORZAWZFN-LJQANCHMSA-N -1 3 403.438 3.823 20 0 HHADHM CC1CCC(OC2CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])CC2)CC1 ZINC000436615389 981476046 /nfs/dbraw/zinc/47/60/46/981476046.db2.gz DMFABAIKFLZBPR-NGICGMGXSA-N -1 3 414.546 3.583 20 0 HHADHM C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436616936 981476626 /nfs/dbraw/zinc/47/66/26/981476626.db2.gz LLFMOAXDSHVAKK-AWEZNQCLSA-N -1 3 412.877 3.615 20 0 HHADHM O=C(c1ccsc1)N1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000436619208 981477727 /nfs/dbraw/zinc/47/77/27/981477727.db2.gz QHYPBFKRODBRQC-UHFFFAOYSA-N -1 3 406.507 3.643 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCc2c1cccc2F ZINC000436621107 981479057 /nfs/dbraw/zinc/47/90/57/981479057.db2.gz BBHFPZMTWKOTBE-OAQYLSRUSA-N -1 3 404.441 3.982 20 0 HHADHM CC[C@@H](CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])Oc1ccccc1Cl ZINC000436623510 981480188 /nfs/dbraw/zinc/48/01/88/981480188.db2.gz GUFAJESENBIMEU-MAUKXSAKSA-N -1 3 416.905 3.624 20 0 HHADHM COCCn1cc2c(n1)[C@H](NC(=O)c1cc(Oc3ccccc3)ccc1[O-])CCC2 ZINC000436625668 981481047 /nfs/dbraw/zinc/48/10/47/981481047.db2.gz FZGKJDQFFYHWIU-HXUWFJFHSA-N -1 3 407.470 3.835 20 0 HHADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000436626295 981481513 /nfs/dbraw/zinc/48/15/13/981481513.db2.gz PAWNRHNKVYITBO-GOSISDBHSA-N -1 3 419.308 3.889 20 0 HHADHM O=C(Nc1cc(Cc2ccccc2)ccc1O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436627029 981482101 /nfs/dbraw/zinc/48/21/01/981482101.db2.gz UIIMQVRAANHLNX-OAQYLSRUSA-N -1 3 416.477 3.932 20 0 HHADHM COc1ccc(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c(C)n1 ZINC000436629444 981483142 /nfs/dbraw/zinc/48/31/42/981483142.db2.gz JNAHOHGAFZOFFQ-HXUWFJFHSA-N -1 3 405.454 3.604 20 0 HHADHM CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2ccc(O)cc2[O-])CC1 ZINC000436629263 981483171 /nfs/dbraw/zinc/48/31/71/981483171.db2.gz IVOLEJMLJMKMJC-GOSISDBHSA-N -1 3 419.319 3.769 20 0 HHADHM COc1ccc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c(C)n1 ZINC000436629443 981483201 /nfs/dbraw/zinc/48/32/01/981483201.db2.gz JNAHOHGAFZOFFQ-FQEVSTJZSA-N -1 3 405.454 3.604 20 0 HHADHM CS[C@H]1CCC[C@@H](NC(=O)Cc2csc(NC(=O)c3cc(C)ccc3[O-])n2)C1 ZINC000436635939 981486360 /nfs/dbraw/zinc/48/63/60/981486360.db2.gz NGXKTNTWDTXTDI-HIFRSBDPSA-N -1 3 419.572 3.742 20 0 HHADHM CS[C@@H]1CCC[C@@H](NC(=O)Cc2csc(NC(=O)c3cc(C)ccc3[O-])n2)C1 ZINC000436635940 981486444 /nfs/dbraw/zinc/48/64/44/981486444.db2.gz NGXKTNTWDTXTDI-UKRRQHHQSA-N -1 3 419.572 3.742 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)N[C@@H](C)c2nc3ccccc3n2C(C)C)c([O-])c1 ZINC000436637731 981487705 /nfs/dbraw/zinc/48/77/05/981487705.db2.gz AZROUGWYPOEIIB-INIZCTEOSA-N -1 3 408.502 3.629 20 0 HHADHM CCCc1ccc(C(=O)CCC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436642142 981489732 /nfs/dbraw/zinc/48/97/32/981489732.db2.gz QSQXILKXQPVESQ-UHFFFAOYSA-N -1 3 422.525 3.729 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)N[C@@H](C)c2ccc(OCC(F)(F)F)cc2)c([O-])c1 ZINC000436660248 981497047 /nfs/dbraw/zinc/49/70/47/981497047.db2.gz CNXVZWACONTYJA-AWEZNQCLSA-N -1 3 424.419 3.639 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)Nc2cccc(COCc3ccco3)c2)c([O-])c1 ZINC000436663673 981499108 /nfs/dbraw/zinc/49/91/08/981499108.db2.gz GLCOTZUFQONIPX-UHFFFAOYSA-N -1 3 408.454 3.769 20 0 HHADHM Cc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2N(C)C(=O)c2ccc(C)cc2O)c([O-])c1 ZINC000436664917 981500001 /nfs/dbraw/zinc/50/00/01/981500001.db2.gz PTCSRKNALZWCRM-PMACEKPBSA-N -1 3 410.514 3.870 20 0 HHADHM CNC(=O)CCOc1ccc(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])cc1 ZINC000436669674 981502075 /nfs/dbraw/zinc/50/20/75/981502075.db2.gz BFJOPIVSKDAPHD-UHFFFAOYSA-N -1 3 418.493 3.945 20 0 HHADHM C[C@@H](COc1ccc(C(C)(C)C)cc1)NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436685129 981511906 /nfs/dbraw/zinc/51/19/06/981511906.db2.gz AGIVXPQIZMKRHH-LAUBAEHRSA-N -1 3 424.541 3.878 20 0 HHADHM Cc1ccc(C(=O)NCCc2nc(-c3ccc(N4CCCCC4)cc3)no2)c([O-])c1 ZINC000436687726 981512506 /nfs/dbraw/zinc/51/25/06/981512506.db2.gz ISASXHNGKCQWHI-UHFFFAOYSA-N -1 3 406.486 3.713 20 0 HHADHM Cc1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3Br)CC2)c([O-])c1 ZINC000436688415 981513303 /nfs/dbraw/zinc/51/33/03/981513303.db2.gz NXXIFUOBPMDVNM-UHFFFAOYSA-N -1 3 417.303 3.954 20 0 HHADHM Cc1ccc(C(=O)NCCc2nc(-c3cc(F)cc(Br)c3)no2)c([O-])c1 ZINC000436688754 981513947 /nfs/dbraw/zinc/51/39/47/981513947.db2.gz LRRMYKWQBQAPHZ-UHFFFAOYSA-N -1 3 420.238 3.625 20 0 HHADHM COc1cc(-c2nc(Cc3cc(F)cc(Br)c3)no2)cc(OC)c1[O-] ZINC000436691861 981515256 /nfs/dbraw/zinc/51/52/56/981515256.db2.gz ZZOUNQCUTOQKSK-UHFFFAOYSA-N -1 3 409.211 3.952 20 0 HHADHM Cc1ccc(C(=O)NCCc2nc(-c3ccc(C)cc3Br)no2)c([O-])c1 ZINC000436692685 981516028 /nfs/dbraw/zinc/51/60/28/981516028.db2.gz ZHNRUGZFZWZNIM-UHFFFAOYSA-N -1 3 416.275 3.794 20 0 HHADHM CCOc1ccc(C2=CCN(C(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436695452 981517991 /nfs/dbraw/zinc/51/79/91/981517991.db2.gz FQIJOMZHHHAUPM-JOCHJYFZSA-N -1 3 420.509 3.711 20 0 HHADHM O=C(CCSc1cccc(Cl)c1)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436695188 981518043 /nfs/dbraw/zinc/51/80/43/981518043.db2.gz FAZMTFOEACJMSZ-UHFFFAOYSA-N -1 3 418.946 3.949 20 0 HHADHM CC(C)[C@@H](Sc1ccccc1)C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436695545 981518060 /nfs/dbraw/zinc/51/80/60/981518060.db2.gz MGOWSISRQOWNDR-OAQYLSRUSA-N -1 3 412.555 3.930 20 0 HHADHM CCCOc1c(Cl)cc(CN2CCN(C(=O)c3ccccc3[O-])CC2)cc1OC ZINC000436696259 981518784 /nfs/dbraw/zinc/51/87/84/981518784.db2.gz NWPNVZYUCSYDMY-UHFFFAOYSA-N -1 3 418.921 3.801 20 0 HHADHM O=C(NCCCCc1ccc(Cl)s1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436698533 981519152 /nfs/dbraw/zinc/51/91/52/981519152.db2.gz PZLHKXKGQZOPFB-INIZCTEOSA-N -1 3 406.935 3.851 20 0 HHADHM Cc1cnc(-c2cccc(NC(=O)NC3CCN(C(=O)c4ccccc4[O-])CC3)c2)o1 ZINC000436704488 981522040 /nfs/dbraw/zinc/52/20/40/981522040.db2.gz PFAOSRJGECGJDS-UHFFFAOYSA-N -1 3 420.469 3.782 20 0 HHADHM C[C@H]1CN(C(=O)c2cc3c(cc2[O-])OCO3)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000436707812 981522989 /nfs/dbraw/zinc/52/29/89/981522989.db2.gz HHUZBUPYUSFYML-VOJFVSQTSA-N -1 3 409.360 3.742 20 0 HHADHM O=C(Nc1ccc2nc[nH]c2c1)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436709674 981524268 /nfs/dbraw/zinc/52/42/68/981524268.db2.gz OSMBMYXYSNZNFD-FQEVSTJZSA-N -1 3 400.438 3.665 20 0 HHADHM Cc1cc(Cl)ccc1OCCCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436717405 981528791 /nfs/dbraw/zinc/52/87/91/981528791.db2.gz WLUKJOVEMIPZQT-SFHVURJKSA-N -1 3 416.905 3.544 20 0 HHADHM CC(C)C[C@@H](NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1cccs1 ZINC000436723300 981531818 /nfs/dbraw/zinc/53/18/18/981531818.db2.gz PYHJBVVYIHZUOI-QGZVFWFLSA-N -1 3 401.532 3.709 20 0 HHADHM O=C(NCc1ccc(OC2CCCC2)cc1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436725957 981533187 /nfs/dbraw/zinc/53/31/87/981533187.db2.gz TUOJXNWNACKWDS-NRFANRHFSA-N -1 3 408.498 3.635 20 0 HHADHM O=C(NC1CCC(c2ccc(F)cc2)CC1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436726768 981533965 /nfs/dbraw/zinc/53/39/65/981533965.db2.gz ZDLYDMYFTHJTBQ-XTXLOEGASA-N -1 3 410.489 3.979 20 0 HHADHM COc1c(NC(=O)c2ccc3c(c2[O-])CCCC3)cc(Cl)cc1C(=O)N(C)C ZINC000436731935 981536869 /nfs/dbraw/zinc/53/68/69/981536869.db2.gz ROHBXGVNSFRUAU-UHFFFAOYSA-N -1 3 402.878 3.887 20 0 HHADHM O=C(Nc1ccc(-c2ccco2)cc1F)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436734804 981537672 /nfs/dbraw/zinc/53/76/72/981537672.db2.gz AZBDJUJMFZHXED-UHFFFAOYSA-N -1 3 409.417 3.781 20 0 HHADHM COc1cc([C@H](C)NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)ccn1 ZINC000436737295 981538949 /nfs/dbraw/zinc/53/89/49/981538949.db2.gz IKHVQLSFGYQWTP-HRAATJIYSA-N -1 3 419.481 3.534 20 0 HHADHM CC(C)c1ccc(C(=O)NCc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)c([O-])c1 ZINC000436739616 981539605 /nfs/dbraw/zinc/53/96/05/981539605.db2.gz OWKSVCDIJPWREU-IAGOWNOFSA-N -1 3 410.514 3.695 20 0 HHADHM COc1cccc(Oc2ccc(CNC(=O)c3cc(OC)c([O-])c(OC)c3)cn2)c1 ZINC000436748899 981544010 /nfs/dbraw/zinc/54/40/10/981544010.db2.gz ICWTWZISHUPMFY-UHFFFAOYSA-N -1 3 410.426 3.535 20 0 HHADHM O=C(Nc1ccc(N2CCNC2=O)cc1)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436752603 981545980 /nfs/dbraw/zinc/54/59/80/981545980.db2.gz BDHKXVSDJKTCNI-UHFFFAOYSA-N -1 3 403.438 3.753 20 0 HHADHM CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccc(C)c(C)c1[O-] ZINC000436753804 981546485 /nfs/dbraw/zinc/54/64/85/981546485.db2.gz GGFGNDORDPULLG-UHFFFAOYSA-N -1 3 414.502 3.895 20 0 HHADHM O=C(Nc1nccs1)[C@@H]1CCCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436757560 981548267 /nfs/dbraw/zinc/54/82/67/981548267.db2.gz ISLPJHULUYUUSR-KRWDZBQOSA-N -1 3 409.467 3.884 20 0 HHADHM COc1ccc(NC(=O)c2ccc(NC(=O)c3cc4c(cc3[O-])OCO4)cc2)cc1 ZINC000436758518 981549138 /nfs/dbraw/zinc/54/91/38/981549138.db2.gz YANWGLNWGQVTQU-UHFFFAOYSA-N -1 3 406.394 3.634 20 0 HHADHM CS(=O)(=O)Nc1cccc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])c1 ZINC000436759639 981549777 /nfs/dbraw/zinc/54/97/77/981549777.db2.gz DAMHIWRKFZSWFY-UHFFFAOYSA-N -1 3 412.467 3.595 20 0 HHADHM CCOc1ccccc1-c1cccc(C(=O)NCCNC(=O)c2ccc([O-])cc2)c1 ZINC000436764216 981552010 /nfs/dbraw/zinc/55/20/10/981552010.db2.gz KGXPQENAZZBJON-UHFFFAOYSA-N -1 3 404.466 3.618 20 0 HHADHM COc1ccc2cc([C@H](C)C(=O)N3CCN(C(=O)c4ccccc4[O-])CC3)ccc2c1 ZINC000436773551 981555509 /nfs/dbraw/zinc/55/55/09/981555509.db2.gz PUODEGXVHAFXMO-KRWDZBQOSA-N -1 3 418.493 3.642 20 0 HHADHM Cc1sc2nc(SCc3noc(-c4ccccc4[O-])n3)n(C)c(=O)c2c1C ZINC000436778286 981557477 /nfs/dbraw/zinc/55/74/77/981557477.db2.gz QFJKTMWBQKGQKI-UHFFFAOYSA-N -1 3 400.485 3.660 20 0 HHADHM O=C(Nc1ccccc1CCC(F)(F)F)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436778785 981557652 /nfs/dbraw/zinc/55/76/52/981557652.db2.gz SXTGVJDPEPTPQL-UHFFFAOYSA-N -1 3 421.419 3.877 20 0 HHADHM COc1ccc(C(=O)Nc2cc(NC(=O)CN3CCCC[C@@H]3C)ccc2F)c([O-])c1 ZINC000436788703 981561429 /nfs/dbraw/zinc/56/14/29/981561429.db2.gz ASQCQWRYUFRGNS-AWEZNQCLSA-N -1 3 415.465 3.605 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCOC[C@@H]1CC1CCC1 ZINC000436790603 981562560 /nfs/dbraw/zinc/56/25/60/981562560.db2.gz HLIXDSZRKNPVPU-GMAHTHKFSA-N -1 3 422.525 3.671 20 0 HHADHM O=C(c1ccccc1[O-])N(CCn1ccnc1)Cc1ccccc1Br ZINC000436797512 981567009 /nfs/dbraw/zinc/56/70/09/981567009.db2.gz OCTRWZTUKKDQRL-UHFFFAOYSA-N -1 3 400.276 3.694 20 0 HHADHM COc1cccc(Oc2ncccc2CNC(=O)c2cc(OC)c([O-])c(OC)c2)c1 ZINC000436802372 981568734 /nfs/dbraw/zinc/56/87/34/981568734.db2.gz BZYSSXYWRXMQAF-UHFFFAOYSA-N -1 3 410.426 3.535 20 0 HHADHM CCc1nn(-c2ccccc2)c(CC)c1CNC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000436812337 981572786 /nfs/dbraw/zinc/57/27/86/981572786.db2.gz MEKNOJITHFPJTI-UHFFFAOYSA-N -1 3 406.486 3.591 20 0 HHADHM C[C@@H]1CCN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC1(F)F ZINC000436817455 981574582 /nfs/dbraw/zinc/57/45/82/981574582.db2.gz HNAPFLVUEPGFGW-BEFAXECRSA-N -1 3 402.441 3.757 20 0 HHADHM C[C@H]1CCN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC1(F)F ZINC000436817458 981574678 /nfs/dbraw/zinc/57/46/78/981574678.db2.gz HNAPFLVUEPGFGW-KXBFYZLASA-N -1 3 402.441 3.757 20 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ZINC000436861330 981596053 /nfs/dbraw/zinc/59/60/53/981596053.db2.gz ZUBAREVQWMJZEM-UHFFFAOYSA-N -1 3 419.928 3.825 20 0 HHADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)CC1 ZINC000436870021 981597551 /nfs/dbraw/zinc/59/75/51/981597551.db2.gz CRWRIVYCNZQPRM-RBUKOAKNSA-N -1 3 419.308 3.787 20 0 HHADHM C[C@H](Oc1ccc2ccccc2c1)C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436875157 981598772 /nfs/dbraw/zinc/59/87/72/981598772.db2.gz SOLRCFKDRNPUKB-KRWDZBQOSA-N -1 3 418.493 3.734 20 0 HHADHM C[C@H](C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000436876271 981598985 /nfs/dbraw/zinc/59/89/85/981598985.db2.gz XWPCRZQHMQAUSL-ZDUSSCGKSA-N -1 3 407.297 3.787 20 0 HHADHM O=C(N[C@H](CC1CCC1)c1ccccc1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436892505 981603480 /nfs/dbraw/zinc/60/34/80/981603480.db2.gz KAIBVHMVCPAZOJ-OAQYLSRUSA-N -1 3 407.514 3.791 20 0 HHADHM O=C(N[C@@H]1CC=C(c2ccc(F)cc2)CC1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436896379 981605028 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ZINC000436929052 981629572 /nfs/dbraw/zinc/62/95/72/981629572.db2.gz TUFCZQUWSBZAJY-UHFFFAOYSA-N -1 3 404.466 3.669 20 0 HHADHM O=C(NC[C@@H](Cc1ccccc1)C(F)(F)F)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436937577 981634191 /nfs/dbraw/zinc/63/41/91/981634191.db2.gz GDINVXSOKLOPCW-SJLPKXTDSA-N -1 3 420.431 3.534 20 0 HHADHM COc1ccc([O-])c(-c2nc(-c3ccc(N(C)C(=O)c4ccncc4)cc3)no2)c1 ZINC000436940218 981635374 /nfs/dbraw/zinc/63/53/74/981635374.db2.gz VDUBQPFRHNVYPS-UHFFFAOYSA-N -1 3 402.410 3.789 20 0 HHADHM COc1ccc(C)cc1[C@H](C)NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000436949534 981640112 /nfs/dbraw/zinc/64/01/12/981640112.db2.gz SIVUOVOTOBDPTA-ZDUSSCGKSA-N -1 3 409.442 3.749 20 0 HHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCOC[C@@H]1[C@H]1CCCCC1=O ZINC000436951784 981642184 /nfs/dbraw/zinc/64/21/84/981642184.db2.gz TVNAWDMDNZFBFV-IFMALSPDSA-N -1 3 407.510 3.778 20 0 HHADHM CC[C@@H](CNC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-])Oc1cccc(C)c1 ZINC000436959384 981647942 /nfs/dbraw/zinc/64/79/42/981647942.db2.gz GQGFOYRHOQBRLG-KRWDZBQOSA-N -1 3 423.469 3.837 20 0 HHADHM COc1ccccc1C(C)(C)NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000436959741 981648659 /nfs/dbraw/zinc/64/86/59/981648659.db2.gz NZLFJRFQJFKGAY-UHFFFAOYSA-N -1 3 409.442 3.615 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C)CCCOc2ccccc2C)c1 ZINC000436960035 981648724 /nfs/dbraw/zinc/64/87/24/981648724.db2.gz OYKCAVQMMKRXSS-UHFFFAOYSA-N -1 3 423.469 3.790 20 0 HHADHM Cc1ccc(-c2cccnc2)cc1NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436964632 981652140 /nfs/dbraw/zinc/65/21/40/981652140.db2.gz MONHKGBRSWDSRJ-UHFFFAOYSA-N -1 3 416.481 3.753 20 0 HHADHM COc1ccccc1[C@H]1CCCN1C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000436965277 981652726 /nfs/dbraw/zinc/65/27/26/981652726.db2.gz SWGFWQKAYIZBSW-LJQANCHMSA-N -1 3 421.453 3.927 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2C[C@@H](C)OC[C@@H]2c2ccccc2)c1 ZINC000436968103 981654537 /nfs/dbraw/zinc/65/45/37/981654537.db2.gz UXPCODWJZHFNPA-JLTOFOAXSA-N -1 3 421.453 3.543 20 0 HHADHM CC(C)(Oc1cccc(Cl)c1)C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436970213 981655441 /nfs/dbraw/zinc/65/54/41/981655441.db2.gz KWOANEIRIICOOR-UHFFFAOYSA-N -1 3 416.905 3.624 20 0 HHADHM CCCCOc1ccc(C(=O)N(CC)CC(=O)Nc2ccccc2OC)c([O-])c1 ZINC000436971216 981657099 /nfs/dbraw/zinc/65/70/99/981657099.db2.gz IVNSPNAIRFITFM-UHFFFAOYSA-N -1 3 400.475 3.681 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H](c3ccccc3)[C@@H]2C)c1 ZINC000436975811 981661144 /nfs/dbraw/zinc/66/11/44/981661144.db2.gz NEMFGIDBSVLKIK-KSSFIOAISA-N -1 3 405.454 3.959 20 0 HHADHM Cc1[nH]nc(C(F)F)c1NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000436976944 981662028 /nfs/dbraw/zinc/66/20/28/981662028.db2.gz CQZMVKNZPPPPGQ-UHFFFAOYSA-N -1 3 421.429 3.560 20 0 HHADHM CN(C(=O)c1cc(Oc2ccccc2)ccc1[O-])c1ccc(N2CCOCC2)nc1 ZINC000436980599 981664473 /nfs/dbraw/zinc/66/44/73/981664473.db2.gz OOLSMWMBTFXJTR-UHFFFAOYSA-N -1 3 405.454 3.693 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2C[C@H](C)C[C@@H]2c2cccnc2)c1 ZINC000436982973 981665857 /nfs/dbraw/zinc/66/58/57/981665857.db2.gz WEVYIEDTSVSOQE-BFUOFWGJSA-N -1 3 406.442 3.559 20 0 HHADHM Cc1ccc(CCNC(=O)Cc2csc(NC(=O)c3cc(C)ccc3[O-])n2)cc1 ZINC000436986462 981668506 /nfs/dbraw/zinc/66/85/06/981668506.db2.gz GAQSUSKNUXOECB-UHFFFAOYSA-N -1 3 409.511 3.619 20 0 HHADHM CC[C@H](c1ccncc1)N(C)C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000436991202 981671728 /nfs/dbraw/zinc/67/17/28/981671728.db2.gz UOGGPKHKACBZQN-GOSISDBHSA-N -1 3 424.526 3.957 20 0 HHADHM COC(=O)COc1cccc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])c1 ZINC000436991520 981672780 /nfs/dbraw/zinc/67/27/80/981672780.db2.gz VKUFZSHZFKYCQQ-UHFFFAOYSA-N -1 3 407.422 3.775 20 0 HHADHM C[C@@H]1CN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C[C@@]2(CCO[C@H](C)C2)O1 ZINC000436995610 981675216 /nfs/dbraw/zinc/67/52/16/981675216.db2.gz BIZGKQBCKMHBMF-RRQZXNHTSA-N -1 3 409.526 3.976 20 0 HHADHM CC(C)Cc1ncc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cn1 ZINC000437000132 981677748 /nfs/dbraw/zinc/67/77/48/981677748.db2.gz 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424.482 3.653 20 0 HHADHM Cc1ccnc(Oc2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)n1 ZINC000441748322 984428180 /nfs/dbraw/zinc/42/81/80/984428180.db2.gz CWVMGESGVVAFQX-UHFFFAOYSA-N -1 3 413.455 3.539 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N(C)[C@@H]3CCCC[C@H]3CC)c2)n1 ZINC000441783522 984450094 /nfs/dbraw/zinc/45/00/94/984450094.db2.gz CGOQCDWUPZOLAF-DNVCBOLYSA-N -1 3 410.518 3.777 20 0 HHADHM CCc1cccc(Cc2cnc(NC(=O)NCCNC(=O)c3ccc([O-])cc3)s2)c1 ZINC000441848004 984497375 /nfs/dbraw/zinc/49/73/75/984497375.db2.gz MEEWQCOQAFLNJF-UHFFFAOYSA-N -1 3 424.526 3.553 20 0 HHADHM Cc1nc(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)sc1Cc1cccc(C)c1 ZINC000441933216 984548691 /nfs/dbraw/zinc/54/86/91/984548691.db2.gz QMIVRHFPJFZJBE-UHFFFAOYSA-N -1 3 410.425 3.809 20 0 HHADHM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccccc2C(F)(F)F)cc1Cl ZINC000441979601 984577608 /nfs/dbraw/zinc/57/76/08/984577608.db2.gz QDRKMVHLGOSIRE-UHFFFAOYSA-N -1 3 407.797 3.624 20 0 HHADHM O=C(NCc1ccc([O-])c(F)c1)C(=O)Nc1ccc(COCc2ccccc2)cc1 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XBOBUORTACTLDE-GNZRSQJKSA-N -1 3 423.579 3.623 20 0 HHADHM O=S(=O)([N-]C[C@@H]1CCN(c2ccccc2F)C1)c1c(Cl)cccc1Cl ZINC000462128931 985099498 /nfs/dbraw/zinc/09/94/98/985099498.db2.gz YTZBKWUKMJGZSD-LBPRGKRZSA-N -1 3 403.306 3.937 20 0 HHADHM C[C@H]1COCC[C@H]1c1noc(-c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)n1 ZINC000442683116 985154235 /nfs/dbraw/zinc/15/42/35/985154235.db2.gz VDMVZIDAQPVAFR-XJKSGUPXSA-N -1 3 417.462 3.817 20 0 HHADHM COc1ccc2c(c1)CCC[C@H]2C[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000442737425 985195188 /nfs/dbraw/zinc/19/51/88/985195188.db2.gz NQGHKCKBTPJWNJ-ZDUSSCGKSA-N -1 3 400.422 3.507 20 0 HHADHM C[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1ccc(Br)s1 ZINC000442740115 985197174 /nfs/dbraw/zinc/19/71/74/985197174.db2.gz RIZXIMNTYCXUEH-ZCFIWIBFSA-N -1 3 400.241 3.967 20 0 HHADHM Cc1ccc([C@H]2OCCC[C@@H]2C[N-]S(=O)(=O)c2cnccc2C(F)(F)F)cc1 ZINC000442744430 985199852 /nfs/dbraw/zinc/19/98/52/985199852.db2.gz SJOHGSNGYVIRIE-CRAIPNDOSA-N -1 3 414.449 3.855 20 0 HHADHM CC1(C)C[C@H]([N-]S(=O)(=O)c2cnccc2C(F)(F)F)c2ccc(F)cc2O1 ZINC000442761361 985206794 /nfs/dbraw/zinc/20/67/94/985206794.db2.gz PREMZHJWMIFXOI-ZDUSSCGKSA-N -1 3 404.385 3.820 20 0 HHADHM O=S(=O)([N-]CC1(c2ccc(F)cc2Cl)CC1)c1cnccc1C(F)(F)F ZINC000442763129 985207607 /nfs/dbraw/zinc/20/76/07/985207607.db2.gz DDDBJFGGUKKRPD-UHFFFAOYSA-N -1 3 408.804 3.903 20 0 HHADHM Cc1cccc([C@H]([N-]S(=O)(=O)c2cnccc2C(F)(F)F)c2ccccn2)c1 ZINC000442766037 985208277 /nfs/dbraw/zinc/20/82/77/985208277.db2.gz JEVJMOKEPUMWIA-SFHVURJKSA-N -1 3 407.417 3.872 20 0 HHADHM CC(C)(Cc1ccc(C(F)(F)F)cc1)NCC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000442785373 985214817 /nfs/dbraw/zinc/21/48/17/985214817.db2.gz XMIMIERHHZPSJI-UHFFFAOYSA-N -1 3 411.449 3.638 20 0 HHADHM COCc1nc(CNC(=O)c2cc(=O)c3ccccc3[n-]2)c(-c2ccccc2)s1 ZINC000442835408 985236951 /nfs/dbraw/zinc/23/69/51/985236951.db2.gz DKFWOFNBARODNZ-UHFFFAOYSA-N -1 3 405.479 3.728 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2cccc(OC(F)F)c2)s1 ZINC000462261295 985248631 /nfs/dbraw/zinc/24/86/31/985248631.db2.gz XSYSQHDXZUGFHM-UHFFFAOYSA-N -1 3 412.277 3.899 20 0 HHADHM C[C@H](NCC[N-]S(=O)(=O)c1ccc(F)cc1F)c1nc(-c2ccccc2)cs1 ZINC000442879101 985255558 /nfs/dbraw/zinc/25/55/58/985255558.db2.gz VQSYIWDQCMUXED-ZDUSSCGKSA-N -1 3 423.510 3.717 20 0 HHADHM CCOc1ccccc1CN1CCN(C(=O)CCCc2ccc([O-])c(F)c2)[C@H](C)C1 ZINC000442896895 985267730 /nfs/dbraw/zinc/26/77/30/985267730.db2.gz LRJKIBFZGWOOTN-GOSISDBHSA-N -1 3 414.521 3.986 20 0 HHADHM O=S(=O)([N-]Cc1ccc(OCc2ccccn2)cc1)c1cnccc1C(F)(F)F ZINC000442914601 985277280 /nfs/dbraw/zinc/27/72/80/985277280.db2.gz NHNXNIQVSVVEFY-UHFFFAOYSA-N -1 3 423.416 3.553 20 0 HHADHM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2cc(C)c(Br)cc2C)o1 ZINC000462300050 985285861 /nfs/dbraw/zinc/28/58/61/985285861.db2.gz RQCIUPOXGWWXSV-HNNXBMFYSA-N -1 3 416.337 3.887 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@H]2CCOc3ccccc32)s1 ZINC000462301472 985287506 /nfs/dbraw/zinc/28/75/06/985287506.db2.gz XZNFCEUMYJNVFP-LLVKDONJSA-N -1 3 402.335 3.664 20 0 HHADHM Cc1cc2c(o1)c(C(=O)NCc1ccc(-c3nnn[n-]3)cc1)ccc2Br ZINC000442966992 985306862 /nfs/dbraw/zinc/30/68/62/985306862.db2.gz MYQFJTPMLJENIV-UHFFFAOYSA-N -1 3 412.247 3.614 20 0 HHADHM Cc1cc2c(o1)c(C(=O)NCc1ccc(-c3nn[n-]n3)cc1)ccc2Br ZINC000442966992 985306879 /nfs/dbraw/zinc/30/68/79/985306879.db2.gz MYQFJTPMLJENIV-UHFFFAOYSA-N -1 3 412.247 3.614 20 0 HHADHM COc1ccccc1[C@@]1(C)C[C@H]1[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000462327574 985318567 /nfs/dbraw/zinc/31/85/67/985318567.db2.gz OUONVWHGIUNPDI-IAGOWNOFSA-N -1 3 414.296 3.605 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H]2CC=CCC2)c(Br)c1 ZINC000462334964 985324877 /nfs/dbraw/zinc/32/48/77/985324877.db2.gz WISGKPSDGOJZDR-JTQLQIEISA-N -1 3 409.143 3.907 20 0 HHADHM CSCCC[N-]S(=O)(=O)c1c(Br)cc(C)cc1Br ZINC000462341921 985331647 /nfs/dbraw/zinc/33/16/47/985331647.db2.gz QXPSRGNNDDAPRO-UHFFFAOYSA-N -1 3 417.188 3.551 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H](C)c1cccc(OC)c1 ZINC000443014700 985337679 /nfs/dbraw/zinc/33/76/79/985337679.db2.gz QJFHXQRZDQNHKY-LBPRGKRZSA-N -1 3 405.497 3.736 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H](C)Cc1ccccc1F ZINC000443023719 985341223 /nfs/dbraw/zinc/34/12/23/985341223.db2.gz MJGJSTCQJGFVBV-GFCCVEGCSA-N -1 3 407.488 3.737 20 0 HHADHM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2cccc3c2CN([C@H](C)C(C)C)C3)cc1 ZINC000462366137 985352278 /nfs/dbraw/zinc/35/22/78/985352278.db2.gz PIKVAUYFEOCTPK-MRXNPFEDSA-N -1 3 415.559 3.830 20 0 HHADHM COC(=O)c1cccc(S(=O)(=O)[N-]c2cccc3c2CN([C@H](C)C(C)C)C3)c1 ZINC000462373928 985358344 /nfs/dbraw/zinc/35/83/44/985358344.db2.gz ZNSLTBDVGZTGPK-OAHLLOKOSA-N -1 3 402.516 3.634 20 0 HHADHM CC[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)OC)c1nc(C)cs1 ZINC000443076037 985363390 /nfs/dbraw/zinc/36/33/90/985363390.db2.gz XWWIBUUFXBAJTM-LBPRGKRZSA-N -1 3 422.450 3.687 20 0 HHADHM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2c3ccccc3sc2C(=O)OC)cs1 ZINC000443081683 985366295 /nfs/dbraw/zinc/36/62/95/985366295.db2.gz WRJVSNCIEITNLF-SNVBAGLBSA-N -1 3 410.542 3.746 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]CC(c1ccccc1)c1ccccc1 ZINC000443098442 985374377 /nfs/dbraw/zinc/37/43/77/985374377.db2.gz PCKALQWCMXFKDV-UHFFFAOYSA-N -1 3 413.470 3.723 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000443098295 985374484 /nfs/dbraw/zinc/37/44/84/985374484.db2.gz ZGSXRUWNTCKVEU-SNVBAGLBSA-N -1 3 405.369 3.671 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H]1CSc2ccccc21 ZINC000443105128 985377542 /nfs/dbraw/zinc/37/75/42/985377542.db2.gz BQWKIUZLOCBPRC-ZDUSSCGKSA-N -1 3 405.522 3.813 20 0 HHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1cccc(OC(F)F)c1 ZINC000443111600 985381646 /nfs/dbraw/zinc/38/16/46/985381646.db2.gz RDAXKDGANFKTHE-JTQLQIEISA-N -1 3 419.833 3.768 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C(C)(C)c1nc(C)c(C)s1 ZINC000443120861 985388987 /nfs/dbraw/zinc/38/89/87/985388987.db2.gz PYZLHDNWURHGNU-UHFFFAOYSA-N -1 3 424.569 3.975 20 0 HHADHM CC(C)[C@@H](c1ccc(F)cc1)N(C)S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000443194152 985436732 /nfs/dbraw/zinc/43/67/32/985436732.db2.gz HVTDCCZHIRJQRJ-KRWDZBQOSA-N -1 3 423.901 3.677 20 0 HHADHM CC(C)[C@@H](c1ccc(F)cc1)N(C)S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000443194152 985436736 /nfs/dbraw/zinc/43/67/36/985436736.db2.gz HVTDCCZHIRJQRJ-KRWDZBQOSA-N -1 3 423.901 3.677 20 0 HHADHM C[C@@H](CC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccc(F)c(Br)c1 ZINC000462488887 985443544 /nfs/dbraw/zinc/44/35/44/985443544.db2.gz IWOPXNYNGRLHPD-ZETCQYMHSA-N -1 3 409.181 3.535 20 0 HHADHM O=S(=O)([N-][C@@H](Cc1ccccc1)[C@H](O)C(F)F)c1cccc(Cl)c1Cl ZINC000443230996 985454406 /nfs/dbraw/zinc/45/44/06/985454406.db2.gz HIEVDAZFDJHUNO-WFASDCNBSA-N -1 3 410.269 3.509 20 0 HHADHM CC1(C)[C@H]([N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)[C@H]2CCCO[C@H]21 ZINC000462506235 985457914 /nfs/dbraw/zinc/45/79/14/985457914.db2.gz WLOQLGLQXUANHI-FVQBIDKESA-N -1 3 412.964 3.945 20 0 HHADHM O=S(=O)([N-]CCc1ccc(F)c(Br)c1)c1cc(F)c(F)c(F)c1 ZINC000462531143 985479956 /nfs/dbraw/zinc/47/99/56/985479956.db2.gz LVSOKCKMMOOESR-UHFFFAOYSA-N -1 3 412.202 3.527 20 0 HHADHM CC[C@@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000443327940 985496437 /nfs/dbraw/zinc/49/64/37/985496437.db2.gz OPTWKZQUHKKXHD-KOLCDFICSA-N -1 3 418.275 3.543 20 0 HHADHM CC[C@H](C[C@H](C)CO)[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000443327939 985496823 /nfs/dbraw/zinc/49/68/23/985496823.db2.gz OPTWKZQUHKKXHD-GXSJLCMTSA-N -1 3 418.275 3.543 20 0 HHADHM CO[C@H](C[N-]S(=O)(=O)c1cc(Br)ccc1Cl)c1ccccc1 ZINC000462573739 985521141 /nfs/dbraw/zinc/52/11/41/985521141.db2.gz DZTLWWWXIWBKID-CQSZACIVSA-N -1 3 404.713 3.769 20 0 HHADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Br)c(F)cc1F)c1c(C)nn(C)c1C ZINC000462612935 985556266 /nfs/dbraw/zinc/55/62/66/985556266.db2.gz HHMPXOOKGVVKPF-CYBMUJFWSA-N -1 3 422.295 3.507 20 0 HHADHM C[C@@H]1CC[C@H](C)N1CC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000467925760 985559276 /nfs/dbraw/zinc/55/92/76/985559276.db2.gz FDGGVPWSKKSDTH-GASCZTMLSA-N -1 3 421.950 3.952 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000467927592 985561034 /nfs/dbraw/zinc/56/10/34/985561034.db2.gz PSTUTPCGMTTYEZ-GHMZBOCLSA-N -1 3 400.194 3.992 20 0 HHADHM COc1ccccc1O[C@@H](C)C[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000462620940 985563589 /nfs/dbraw/zinc/56/35/89/985563589.db2.gz VKWCSNGQIJJSTB-JTQLQIEISA-N -1 3 420.350 3.573 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](C)COCc2ccccc2)s1 ZINC000462623273 985566263 /nfs/dbraw/zinc/56/62/63/985566263.db2.gz YNMKBKCGBFBPSG-NSHDSACASA-N -1 3 404.351 3.703 20 0 HHADHM CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(O[C@@H](C)CC)cc3)ccc2O1 ZINC000443457718 985629232 /nfs/dbraw/zinc/62/92/32/985629232.db2.gz UJBQAQNHLCFWCN-XOBRGWDASA-N -1 3 419.499 3.531 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C1(c2c(Cl)cccc2Cl)CC1 ZINC000443492356 985666956 /nfs/dbraw/zinc/66/69/56/985666956.db2.gz OGJPNMAPCDPYHM-UHFFFAOYSA-N -1 3 418.273 3.887 20 0 HHADHM CC(C)(CO)[C@H](C[N-]S(=O)(=O)c1csc(-c2ccccc2)n1)c1ccccc1 ZINC000443511506 985682892 /nfs/dbraw/zinc/68/28/92/985682892.db2.gz UBHHERNMADBPDL-GOSISDBHSA-N -1 3 416.568 3.891 20 0 HHADHM CC(=O)N(c1nc(Cn2cc(Cl)c(=O)[n-]c2=O)cs1)c1c(C)cc(C)cc1C ZINC000468065249 985723857 /nfs/dbraw/zinc/72/38/57/985723857.db2.gz NUVGXDGMDNGCCU-UHFFFAOYSA-N -1 3 418.906 3.717 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N3CC(C)(C)CC(C)(C)C3)c2)n1 ZINC000468069208 985727625 /nfs/dbraw/zinc/72/76/25/985727625.db2.gz OPLJAAUXDUJREJ-UHFFFAOYSA-N -1 3 410.518 3.635 20 0 HHADHM CCc1cc(=O)[n-]c(CN2CCC[C@@H]2c2ccccc2I)n1 ZINC000468276581 985976384 /nfs/dbraw/zinc/97/63/84/985976384.db2.gz DKOPQXYGNAAKFN-OAHLLOKOSA-N -1 3 409.271 3.686 20 0 HHADHM O=S(=O)([N-]CCc1c[nH]c2ncccc12)c1csc(-c2ccc(Cl)cc2)n1 ZINC000443781712 985987757 /nfs/dbraw/zinc/98/77/57/985987757.db2.gz QMCKSLNCSXVMJD-UHFFFAOYSA-N -1 3 418.931 3.861 20 0 HHADHM O=C([N-]c1nnc(SCc2ccccc2)s1)c1cn(Cc2cccs2)nn1 ZINC000463134941 986102401 /nfs/dbraw/zinc/10/24/01/986102401.db2.gz QNARRBPMPMNQIW-UHFFFAOYSA-N -1 3 414.541 3.784 20 0 HHADHM CC1(C)CC(Cc2noc(-c3cc(S(=O)(=O)[N-]c4ccccc4F)c[nH]3)n2)C1 ZINC000463171320 986143307 /nfs/dbraw/zinc/14/33/07/986143307.db2.gz JUQVIIKJUSJXJY-UHFFFAOYSA-N -1 3 404.467 3.983 20 0 HHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCc1ccc(-c2ccco2)cc1F ZINC000468470687 986164864 /nfs/dbraw/zinc/16/48/64/986164864.db2.gz RPCIAOZCZXCJJB-UHFFFAOYSA-N -1 3 406.417 3.880 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3c4ccccc4nn3C)cc2)cc1 ZINC000463231406 986198874 /nfs/dbraw/zinc/19/88/74/986198874.db2.gz MSBZGPHOEPRFCA-UHFFFAOYSA-N -1 3 420.494 3.935 20 0 HHADHM CC(C)(C)[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)CCO1 ZINC000468521570 986225984 /nfs/dbraw/zinc/22/59/84/986225984.db2.gz DVUJPDWCZDYGML-IBGZPJMESA-N -1 3 420.506 3.514 20 0 HHADHM CCN(CC)S(=O)(=O)c1cc(NC(=O)CCCc2ccc([O-])c(F)c2)ccc1C ZINC000468548184 986254855 /nfs/dbraw/zinc/25/48/55/986254855.db2.gz NVROURNKUWTYNW-UHFFFAOYSA-N -1 3 422.522 3.832 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@H](C)CCc2ccccc2F)cc1OC ZINC000463288149 986255287 /nfs/dbraw/zinc/25/52/87/986255287.db2.gz LWQVQECSRHEXDK-CQSZACIVSA-N -1 3 408.495 3.803 20 0 HHADHM Cc1csc(C(=O)[N-]c2nnc(C(F)F)s2)c1I ZINC000468616797 986332109 /nfs/dbraw/zinc/33/21/09/986332109.db2.gz CMLIBAJPLJTHGL-UHFFFAOYSA-N -1 3 401.201 3.703 20 0 HHADHM CC(C)Oc1ccc(S(=O)(=O)[N-]c2cccc(CN3C[C@@H](C)O[C@@H](C)C3)c2)cc1 ZINC000444209644 986391547 /nfs/dbraw/zinc/39/15/47/986391547.db2.gz ZZWPOPGGLVERSE-HDICACEKSA-N -1 3 418.559 3.884 20 0 HHADHM CC(C)Oc1ccc(S(=O)(=O)[N-]c2cccc(CN3C[C@H](C)O[C@@H](C)C3)c2)cc1 ZINC000444209646 986392165 /nfs/dbraw/zinc/39/21/65/986392165.db2.gz ZZWPOPGGLVERSE-ROUUACIJSA-N -1 3 418.559 3.884 20 0 HHADHM O=S(=O)([N-]C[C@H](c1ccccc1)C(F)(F)F)c1cnc(-c2ccccc2)nc1 ZINC000444210806 986393396 /nfs/dbraw/zinc/39/33/96/986393396.db2.gz INPNSDOHGRTMSX-QGZVFWFLSA-N -1 3 407.417 3.768 20 0 HHADHM C[C@H]1[C@@H]([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2Cl)CCCN1C ZINC000444212971 986396684 /nfs/dbraw/zinc/39/66/84/986396684.db2.gz OJSPMGIQLGXCRR-WPRPVWTQSA-N -1 3 416.168 3.517 20 0 HHADHM O=S(=O)([N-]C[C@]1(O)CCC[C@H](C(F)(F)F)C1)c1cccc(Cl)c1Cl ZINC000444222964 986410049 /nfs/dbraw/zinc/41/00/49/986410049.db2.gz MPDRXKJRZMLXFW-ZANVPECISA-N -1 3 406.253 3.755 20 0 HHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)C1(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000444229987 986416414 /nfs/dbraw/zinc/41/64/14/986416414.db2.gz WXVNYJIHPSZJIG-UHFFFAOYSA-N -1 3 401.392 3.771 20 0 HHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)C1(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000444229987 986416425 /nfs/dbraw/zinc/41/64/25/986416425.db2.gz WXVNYJIHPSZJIG-UHFFFAOYSA-N -1 3 401.392 3.771 20 0 HHADHM CC(C)OCCS(=O)(=O)[N-]c1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1 ZINC000463443071 986421576 /nfs/dbraw/zinc/42/15/76/986421576.db2.gz NISUSALMUPRJAU-UHFFFAOYSA-N -1 3 414.886 3.898 20 0 HHADHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N1CCC[C@@H](Cc2csc3ccccc23)C1 ZINC000468717523 986432112 /nfs/dbraw/zinc/43/21/12/986432112.db2.gz YRKBZIVOJPPFRX-AWEZNQCLSA-N -1 3 404.491 3.880 20 0 HHADHM 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413.833 3.632 20 0 HHADHM Cc1ccc(C(=O)NCCc2nc(-c3ccc(Br)cc3C)no2)c([O-])c1 ZINC000445463401 987529372 /nfs/dbraw/zinc/52/93/72/987529372.db2.gz JDKLEOXZDJPMPX-UHFFFAOYSA-N -1 3 416.275 3.794 20 0 HHADHM CC(C)c1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3ccc(Cl)cc3)n2)cn1 ZINC000445503805 987564837 /nfs/dbraw/zinc/56/48/37/987564837.db2.gz PBBCPEWZMOMAPX-GFCCVEGCSA-N -1 3 406.895 3.948 20 0 HHADHM CCO[C@H](c1noc([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2)n1)c1ccccc1 ZINC000445780461 987843130 /nfs/dbraw/zinc/84/31/30/987843130.db2.gz DAAZQKBKUBANQI-GUYCJALGSA-N -1 3 421.906 3.888 20 0 HHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)Cc1cc(F)ccc1F ZINC000463874972 987984748 /nfs/dbraw/zinc/98/47/48/987984748.db2.gz WLGNHNAZIIFJPQ-UHFFFAOYSA-N -1 3 408.348 3.536 20 0 HHADHM Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000464144228 988265383 /nfs/dbraw/zinc/26/53/83/988265383.db2.gz ZEZZBIHPHUUYTE-NSHDSACASA-N -1 3 409.328 3.975 20 0 HHADHM 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3 415.515 3.954 20 0 HHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC[C@H]3CCCS3)c2)cc1 ZINC000465022127 989345181 /nfs/dbraw/zinc/34/51/81/989345181.db2.gz CBJSLMYOSKUMPT-QGZVFWFLSA-N -1 3 404.557 3.730 20 0 HHADHM CCC(C)(C)CC(=O)NCc1cccc([N-]S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000465141276 989470845 /nfs/dbraw/zinc/47/08/45/989470845.db2.gz ZYTLDSLETMDPPV-UHFFFAOYSA-N -1 3 404.532 3.939 20 0 HHADHM C[C@@H](NC(=O)NCc1ncccc1[O-])c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000471596169 989799078 /nfs/dbraw/zinc/79/90/78/989799078.db2.gz XOVNURBULUXSEN-OAHLLOKOSA-N -1 3 422.460 3.668 20 0 HHADHM CCc1nc(C[N-]S(=O)(=O)c2cc(Cl)c(Br)cc2F)cs1 ZINC000471623301 989830254 /nfs/dbraw/zinc/83/02/54/989830254.db2.gz ZWNXYHAISOMOIO-UHFFFAOYSA-N -1 3 413.721 3.739 20 0 HHADHM COc1ccccc1N1CC[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000465491012 989840113 /nfs/dbraw/zinc/84/01/13/989840113.db2.gz KPWZEMXVYOMIQO-GFCCVEGCSA-N -1 3 401.315 3.559 20 0 HHADHM CCOC(=O)c1sc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)nc1C ZINC000465495572 989844882 /nfs/dbraw/zinc/84/48/82/989844882.db2.gz SKQVCXBVPCOFNF-VIFPVBQESA-N -1 3 423.343 3.975 20 0 HHADHM O=C(Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1)c1cc([O-])c2ccccc2c1 ZINC000471798433 989983174 /nfs/dbraw/zinc/98/31/74/989983174.db2.gz KGIPKQFHJVQTJY-UHFFFAOYSA-N -1 3 410.857 3.924 20 0 HHADHM COc1ccc(C[C@@H](NC(=O)NCc2ncccc2[O-])c2ccccc2)cc1OC ZINC000471841243 990016164 /nfs/dbraw/zinc/01/61/64/990016164.db2.gz XAPJVUHDFMDZMS-GOSISDBHSA-N -1 3 407.470 3.588 20 0 HHADHM Cc1cc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3cccc4cccnc43)n2)ccc1F ZINC000471898530 990068918 /nfs/dbraw/zinc/06/89/18/990068918.db2.gz VQUIOJNDIBWOSJ-CYBMUJFWSA-N -1 3 412.446 3.772 20 0 HHADHM COc1cc(C)c([N-]S(=O)(=O)c2ccc(Br)cc2C)cc1OC ZINC000471930132 990096649 /nfs/dbraw/zinc/09/66/49/990096649.db2.gz OMUHYAIVERDZLI-UHFFFAOYSA-N -1 3 400.294 3.884 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)NCC[C@H](C)c3ccccc3)c2)[n-]1 ZINC000466396402 991688618 /nfs/dbraw/zinc/68/86/18/991688618.db2.gz QYRWMDPYLWGGNV-INIZCTEOSA-N -1 3 421.501 3.641 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)NCC[C@H](C)c3ccccc3)c2)n[n-]1 ZINC000466396402 991688620 /nfs/dbraw/zinc/68/86/20/991688620.db2.gz QYRWMDPYLWGGNV-INIZCTEOSA-N -1 3 421.501 3.641 20 0 HHADHM COc1cc(OC)cc(S(=O)(=O)[N-]c2cc(Br)c(F)cc2F)c1 ZINC000466466649 991757379 /nfs/dbraw/zinc/75/73/79/991757379.db2.gz QLTKMHMEMCJFBM-UHFFFAOYSA-N -1 3 408.220 3.545 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)NCc3cccc(-c4ncc[nH]4)c3)cc2)cc(=O)[n-]1 ZINC000466473462 991764906 /nfs/dbraw/zinc/76/49/06/991764906.db2.gz KFHXOPWWYJWPJP-UHFFFAOYSA-N -1 3 400.442 3.869 20 0 HHADHM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(Br)c(F)cc2F)c1 ZINC000466473741 991765296 /nfs/dbraw/zinc/76/52/96/991765296.db2.gz MTESPLHQJMWZGG-UHFFFAOYSA-N -1 3 420.231 3.623 20 0 HHADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(Br)c(F)cc2F)ccc1F ZINC000466481649 991772610 /nfs/dbraw/zinc/77/26/10/991772610.db2.gz MYNRDWDWSKCOGP-UHFFFAOYSA-N -1 3 423.210 3.626 20 0 HHADHM CCCCOc1ccc(CNC(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1Cl ZINC000466484796 991775814 /nfs/dbraw/zinc/77/58/14/991775814.db2.gz JRXPDXSRNXUXGJ-UHFFFAOYSA-N -1 3 405.808 3.655 20 0 HHADHM Cc1ccccc1C[C@@H](CO)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000466727867 992038096 /nfs/dbraw/zinc/03/80/96/992038096.db2.gz GDTDLDIKNQSDFC-AWEZNQCLSA-N -1 3 407.841 3.549 20 0 HHADHM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC=Cc3ccccc32)cc1F ZINC000466730045 992040504 /nfs/dbraw/zinc/04/05/04/992040504.db2.gz XWWVLBNRHNKVJR-UHFFFAOYSA-N -1 3 424.519 3.590 20 0 HHADHM CO[C@@H](C[N-]S(=O)(=O)c1sc(C)cc1Br)c1ccc(F)cc1 ZINC000466858879 992178631 /nfs/dbraw/zinc/17/86/31/992178631.db2.gz LISZHEVCQZDMTL-ZDUSSCGKSA-N -1 3 408.314 3.624 20 0 HHADHM CO[C@H](C[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F)C(C)(C)C ZINC000466875672 992197367 /nfs/dbraw/zinc/19/73/67/992197367.db2.gz CDYXFHLZELHLIP-GFCCVEGCSA-N -1 3 418.275 3.807 20 0 HHADHM CCNC(=O)COc1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)CC)cc2)cc1 ZINC000467094256 992399669 /nfs/dbraw/zinc/39/96/69/992399669.db2.gz XQUVSPVLMGFGOE-UHFFFAOYSA-N -1 3 404.532 3.690 20 0 HHADHM CC[C@H](Cc1ccccc1Br)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000467203214 992527905 /nfs/dbraw/zinc/52/79/05/992527905.db2.gz WWOUFLLAOLWCFU-CQSZACIVSA-N -1 3 414.307 3.514 20 0 HHADHM CC[C@H](Cc1ccccc1Br)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000467203214 992527917 /nfs/dbraw/zinc/52/79/17/992527917.db2.gz WWOUFLLAOLWCFU-CQSZACIVSA-N -1 3 414.307 3.514 20 0 HHADHM COC(=O)c1ccc(F)c([N-]C(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)c1 ZINC000467743080 992991313 /nfs/dbraw/zinc/99/13/13/992991313.db2.gz OZPXJTBOXZQOBF-UHFFFAOYSA-N -1 3 419.455 3.759 20 0 HHADHM CC(C)N1CC[C@H](NC(=O)NCc2ncccc2[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000472142252 993197254 /nfs/dbraw/zinc/19/72/54/993197254.db2.gz MPJMIVIYPXDMQB-LPHOPBHVSA-N -1 3 406.889 3.603 20 0 HHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](C)c1nc(Cc2ccccc2)no1 ZINC000472304501 993316990 /nfs/dbraw/zinc/31/69/90/993316990.db2.gz WRWTXAWHYJFTHZ-CYBMUJFWSA-N -1 3 415.446 3.894 20 0 HHADHM COC(=O)c1sc2[n-]c(CN3CC[C@@H](C)[C@@H]3c3cccc(F)c3)nc(=O)c2c1C ZINC000472320976 993332061 /nfs/dbraw/zinc/33/20/61/993332061.db2.gz PJIRRRGUBVUWBI-PIGZYNQJSA-N -1 3 415.490 3.802 20 0 HHADHM COC(=O)c1sc2[n-]c(CN3CC[C@H](C)[C@H]3c3cccc(F)c3)nc(=O)c2c1C ZINC000472320975 993332265 /nfs/dbraw/zinc/33/22/65/993332265.db2.gz PJIRRRGUBVUWBI-GTNSWQLSSA-N -1 3 415.490 3.802 20 0 HHADHM O=C(Nc1cccc(C(=O)N2CCC[C@@H](CO)C2)c1)c1cc([O-])c2ccccc2c1 ZINC000472483933 993486319 /nfs/dbraw/zinc/48/63/19/993486319.db2.gz GURJWVSTAMAATB-MRXNPFEDSA-N -1 3 404.466 3.642 20 0 HHADHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2oc3ccc(Cl)cc3c2C)C12CCOCC2 ZINC000472608007 993559343 /nfs/dbraw/zinc/55/93/43/993559343.db2.gz JAUHJYRKGCKBBB-IRXDYDNUSA-N -1 3 413.923 3.647 20 0 HHADHM C[C@H]([N-]S(=O)(=O)c1cc(Br)c(Cl)cc1Cl)c1ccon1 ZINC000472612713 993561683 /nfs/dbraw/zinc/56/16/83/993561683.db2.gz PRGDTPUMYDMEDB-LURJTMIESA-N -1 3 400.081 3.783 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCC=C(C)C)ccc2C)cc1 ZINC000480995389 993837889 /nfs/dbraw/zinc/83/78/89/993837889.db2.gz WGPULDSDFGOJFD-UHFFFAOYSA-N -1 3 402.516 3.891 20 0 HHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N(Cc1c(F)cccc1F)C1CC1 ZINC000481100907 993938484 /nfs/dbraw/zinc/93/84/84/993938484.db2.gz DWHMSSDQTPFIRQ-UHFFFAOYSA-N -1 3 424.451 3.955 20 0 HHADHM C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000481279239 994095304 /nfs/dbraw/zinc/09/53/04/994095304.db2.gz VFZKIVHNOMGYPZ-JTQLQIEISA-N -1 3 404.243 3.586 20 0 HHADHM C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000481279239 994095318 /nfs/dbraw/zinc/09/53/18/994095318.db2.gz VFZKIVHNOMGYPZ-JTQLQIEISA-N -1 3 404.243 3.586 20 0 HHADHM Cc1ccsc1-c1nc(=NC(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)s[n-]1 ZINC000481393462 994223721 /nfs/dbraw/zinc/22/37/21/994223721.db2.gz RKJMEPXIKFVMJA-AWEZNQCLSA-N -1 3 405.524 3.560 20 0 HHADHM Cc1ccc(-n2cccn2)cc1[N-]S(=O)(=O)Cc1cc(-c2ccc(F)cc2)no1 ZINC000473438457 994288558 /nfs/dbraw/zinc/28/85/58/994288558.db2.gz ZXZSDOKRPXEOBI-UHFFFAOYSA-N -1 3 412.446 3.917 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)C1CCC(OC[C@@H]2CCCO2)CC1 ZINC000481453606 994289624 /nfs/dbraw/zinc/28/96/24/994289624.db2.gz NERRSDYYVLYUMB-GPANFISMSA-N -1 3 412.324 3.525 20 0 HHADHM C[C@H](Cc1cnc2ccccc2n1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000481455578 994291448 /nfs/dbraw/zinc/29/14/48/994291448.db2.gz RFVIYUPFMMRBNM-GFCCVEGCSA-N -1 3 400.276 3.593 20 0 HHADHM C[C@@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)[C@H](C)c1ccccc1 ZINC000473545965 994406810 /nfs/dbraw/zinc/40/68/10/994406810.db2.gz VMCKLOJDGRVCST-LSDHHAIUSA-N -1 3 415.490 3.877 20 0 HHADHM CCOc1ccc(C(=O)c2ccccc2C(=O)NCc2ncccc2[O-])cc1OCC ZINC000473642329 994524552 /nfs/dbraw/zinc/52/45/52/994524552.db2.gz LYAQILGMHWHVTD-UHFFFAOYSA-N -1 3 420.465 3.746 20 0 HHADHM COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NCc1ncccc1[O-] ZINC000473643488 994525975 /nfs/dbraw/zinc/52/59/75/994525975.db2.gz ORSRLRWZQNCUKZ-UHFFFAOYSA-N -1 3 400.438 3.579 20 0 HHADHM O=S(=O)([N-]c1c2c(ccc1Cl)OCC2)c1cc(F)ccc1Br ZINC000481872645 994736596 /nfs/dbraw/zinc/73/65/96/994736596.db2.gz UZPMGKDKJPQPFL-UHFFFAOYSA-N -1 3 406.660 3.977 20 0 HHADHM CC(C)c1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000473856609 994793480 /nfs/dbraw/zinc/79/34/80/994793480.db2.gz DYLWRAHHLWXJHP-JTQLQIEISA-N -1 3 407.298 3.661 20 0 HHADHM CCOC(=O)c1sc([C@H](C)[N-]S(=O)(=O)c2cc(C)c(Cl)s2)nc1C ZINC000473856181 994793678 /nfs/dbraw/zinc/79/36/78/994793678.db2.gz CRHNBBVHCOKDAA-VIFPVBQESA-N -1 3 408.954 3.691 20 0 HHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(C)c(OCC2CCOCC2)c1 ZINC000473896364 994852432 /nfs/dbraw/zinc/85/24/32/994852432.db2.gz OZXNUPLUNRCXOX-UHFFFAOYSA-N -1 3 403.504 3.579 20 0 HHADHM Cc1cc(S(=O)(=O)[N-][C@@H](c2nc(-c3cccnc3)no2)C(C)C)sc1Cl ZINC000473916566 994884262 /nfs/dbraw/zinc/88/42/62/994884262.db2.gz SOUUOHPKWGNWPK-CYBMUJFWSA-N -1 3 412.924 3.831 20 0 HHADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)sc1Cl ZINC000473938552 994912926 /nfs/dbraw/zinc/91/29/26/994912926.db2.gz SNZSZCMHODVWAG-ZFWWWQNUSA-N -1 3 406.907 3.712 20 0 HHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)NCCC(C)(C)O)ccc2C)c(C)c1 ZINC000482053998 994980972 /nfs/dbraw/zinc/98/09/72/994980972.db2.gz HPQSOQPCVXVABJ-UHFFFAOYSA-N -1 3 418.559 3.612 20 0 HHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000482054735 994983048 /nfs/dbraw/zinc/98/30/48/994983048.db2.gz JMCNZBXOIZHUFQ-HNNXBMFYSA-N -1 3 408.424 3.532 20 0 HHADHM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2cc(-c3ccc(OC)cc3)cs2)s1 ZINC000474213882 995208850 /nfs/dbraw/zinc/20/88/50/995208850.db2.gz JLNBGLLAYUHJAQ-UHFFFAOYSA-N -1 3 423.537 3.750 20 0 HHADHM Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000482240499 995223356 /nfs/dbraw/zinc/22/33/56/995223356.db2.gz HISBEIRJKVOBSO-UHFFFAOYSA-N -1 3 403.723 3.509 20 0 HHADHM CCCC(=O)Nc1ccc(CNC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000482279840 995259141 /nfs/dbraw/zinc/25/91/41/995259141.db2.gz WUPOANPEPFDWCJ-UHFFFAOYSA-N -1 3 420.307 3.893 20 0 HHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H]2COc3ccc(Cl)cc32)cc1Cl ZINC000474294192 995285135 /nfs/dbraw/zinc/28/51/35/995285135.db2.gz NOJIWRQNXAGISV-CQSZACIVSA-N -1 3 419.261 3.503 20 0 HHADHM COc1ccc(CN(CCc2ccccn2)C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000474383335 995361432 /nfs/dbraw/zinc/36/14/32/995361432.db2.gz IUIWRYPSVUWJMF-UHFFFAOYSA-N -1 3 409.461 3.889 20 0 HHADHM CCn1c(CCNC(=O)NCc2ccc([O-])c(Br)c2)nc2ccccc21 ZINC000482477052 995482960 /nfs/dbraw/zinc/48/29/60/995482960.db2.gz GQYHMHFUDNMENR-UHFFFAOYSA-N -1 3 417.307 3.566 20 0 HHADHM Cc1nc(C2([N-]S(=O)(=O)c3ccc4c(cnn4C(C)C)c3)CCCCCC2)no1 ZINC000474645014 995589762 /nfs/dbraw/zinc/58/97/62/995589762.db2.gz OVQAZDWIFGZDNJ-UHFFFAOYSA-N -1 3 417.535 3.837 20 0 HHADHM O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)c1cc(=O)c2ccccc2[n-]1 ZINC000482688408 995680277 /nfs/dbraw/zinc/68/02/77/995680277.db2.gz DKUOOMFQWZYFGE-GFCCVEGCSA-N -1 3 402.281 3.844 20 0 HHADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000474775220 995703079 /nfs/dbraw/zinc/70/30/79/995703079.db2.gz QWJWZNODTAAGEY-UHFFFAOYSA-N -1 3 402.790 3.754 20 0 HHADHM Cc1cccc(COc2ccc(CNC(=O)NCc3nc(C(F)(F)F)n[n-]3)cc2)c1 ZINC000482737322 995715840 /nfs/dbraw/zinc/71/58/40/995715840.db2.gz BOBWCROEEMUFHY-UHFFFAOYSA-N -1 3 419.407 3.710 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cn3c(C)nc4cc(F)c(F)cc43)c2)n1 ZINC000474902505 995790258 /nfs/dbraw/zinc/79/02/58/995790258.db2.gz NUODPSUUTYAMRU-UHFFFAOYSA-N -1 3 423.423 3.987 20 0 HHADHM O=S(=O)(Cc1ncc(-c2cccc(F)c2)o1)c1nc(CCC2CCCC2)n[n-]1 ZINC000474935143 995810126 /nfs/dbraw/zinc/81/01/26/995810126.db2.gz RNRZESBTAGCOEC-UHFFFAOYSA-N -1 3 404.467 3.696 20 0 HHADHM O=S(=O)(Cc1ncc(-c2cccc(F)c2)o1)c1nnc(CCC2CCCC2)[n-]1 ZINC000474935143 995810131 /nfs/dbraw/zinc/81/01/31/995810131.db2.gz RNRZESBTAGCOEC-UHFFFAOYSA-N -1 3 404.467 3.696 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)NCC1(c2ccc(Cl)cc2)CCCC1 ZINC000482886511 995818605 /nfs/dbraw/zinc/81/86/05/995818605.db2.gz OIFAASIAPNWZDA-UHFFFAOYSA-N -1 3 401.820 3.788 20 0 HHADHM Cc1nc(-c2cccc(NC(=O)NCc3ccc([O-])c(Br)c3)c2)no1 ZINC000482928019 995856869 /nfs/dbraw/zinc/85/68/69/995856869.db2.gz LGDHOKTXBKSHFU-UHFFFAOYSA-N -1 3 403.236 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996732439 /nfs/dbraw/zinc/73/24/39/996732439.db2.gz NHBCLPVIVLJOJR-UHFFFAOYSA-N -1 3 415.497 3.963 20 0 HHADHM CC(C)[C@H](C[N-]S(=O)(=O)c1ccc(Br)cc1F)c1cccnc1 ZINC000476344261 996768384 /nfs/dbraw/zinc/76/83/84/996768384.db2.gz XCVJFGGAZRWHPD-AWEZNQCLSA-N -1 3 401.301 3.701 20 0 HHADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@H](c2ccccc2)C2CCCC2)s1 ZINC000484763912 997105680 /nfs/dbraw/zinc/10/56/80/997105680.db2.gz OCRGUYVBDLXOKI-QGZVFWFLSA-N -1 3 409.529 3.753 20 0 HHADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@H](C)c2cccc(Cl)c2Cl)s1 ZINC000484784264 997132072 /nfs/dbraw/zinc/13/20/72/997132072.db2.gz PZMMDIHGWQXUHU-MRVPVSSYSA-N -1 3 424.327 3.890 20 0 HHADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@@H](C)c2ccc(Cl)c(Cl)c2)s1 ZINC000484787442 997137224 /nfs/dbraw/zinc/13/72/24/997137224.db2.gz PADRWPOUQXBJKH-QMMMGPOBSA-N -1 3 424.327 3.890 20 0 HHADHM O=S(=O)([N-]C[C@H]1CCCC[C@@H]1C(F)(F)F)c1cnn(-c2ccccc2F)c1 ZINC000484790896 997141970 /nfs/dbraw/zinc/14/19/70/997141970.db2.gz WIDAWZMFKKHNLB-OCCSQVGLSA-N -1 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ZINC000485115244 997497585 /nfs/dbraw/zinc/49/75/85/997497585.db2.gz VBFIAIQUDYEBJB-UHFFFAOYSA-N -1 3 414.425 3.724 20 0 HHADHM Cc1cccc(NC(=O)CSCC(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)c1 ZINC000485144045 997528638 /nfs/dbraw/zinc/52/86/38/997528638.db2.gz SFILHSPAEOPFBL-UHFFFAOYSA-N -1 3 421.482 3.837 20 0 HHADHM Cc1nc(CC2CC2)oc1C(=O)[N-]c1n[nH]c(-c2ccc(Br)cc2F)n1 ZINC000476921552 997533013 /nfs/dbraw/zinc/53/30/13/997533013.db2.gz YPHQSGGMCNPXIS-UHFFFAOYSA-N -1 3 420.242 3.875 20 0 HHADHM O=C(Cc1cccc(OCc2ccccc2Cl)c1)N1CCc2nc[n-]c(=O)c2C1 ZINC000476976064 997595596 /nfs/dbraw/zinc/59/55/96/997595596.db2.gz VDZSPMXPTVCVIU-UHFFFAOYSA-N -1 3 409.873 3.542 20 0 HHADHM O=C(c1cccnc1Nc1cccc(C(F)(F)F)c1)N1CCc2nc[n-]c(=O)c2C1 ZINC000476985415 997609309 /nfs/dbraw/zinc/60/93/09/997609309.db2.gz OXMOIQFTYWSYOD-UHFFFAOYSA-N -1 3 415.375 3.538 20 0 HHADHM CC(=O)Nc1ccc([O-])c(C(=O)NC[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000477003231 997635322 /nfs/dbraw/zinc/63/53/22/997635322.db2.gz JYHOGWXPECCNOM-XOBRGWDASA-N -1 3 419.884 3.566 20 0 HHADHM O=C(COc1cccc(-c2nc3cc(Cl)c(Cl)cc3c(=O)[n-]2)c1)NC1CC1 ZINC000485366062 997791182 /nfs/dbraw/zinc/79/11/82/997791182.db2.gz DVSZBCSOAMUZCI-UHFFFAOYSA-N -1 3 404.253 3.554 20 0 HHADHM CCc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccn2)c1 ZINC000485427910 997865020 /nfs/dbraw/zinc/86/50/20/997865020.db2.gz LRQBQMPUPXQDQA-UHFFFAOYSA-N -1 3 411.483 3.706 20 0 HHADHM COCCN(Cc1scnc1C)C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000485583965 998031768 /nfs/dbraw/zinc/03/17/68/998031768.db2.gz NXPCPADVCJYZKV-UHFFFAOYSA-N -1 3 413.503 3.603 20 0 HHADHM COc1cccc(-c2cc(NC(=O)c3c[n-]c4c(C)cc(F)cc4c3=O)n(C)n2)c1 ZINC000477349323 998037493 /nfs/dbraw/zinc/03/74/93/998037493.db2.gz JCRCPIALIMVLHH-UHFFFAOYSA-N -1 3 406.417 3.637 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3cn(Cc4ccccc4)nn3)c2)cc1 ZINC000477420981 998109944 /nfs/dbraw/zinc/10/99/44/998109944.db2.gz HSKSQRRPYXUHPH-UHFFFAOYSA-N -1 3 420.494 3.803 20 0 HHADHM COC[C@@H](C)CS(=O)(=O)[N-]C1(c2noc(C3CCCCC3)n2)CCCCCC1 ZINC000477454832 998162570 /nfs/dbraw/zinc/16/25/70/998162570.db2.gz UHICPZSVBSTZAS-MRXNPFEDSA-N -1 3 413.584 3.869 20 0 HHADHM COC[C@H](C)CS(=O)(=O)[N-]C1(c2noc(C3CCCCC3)n2)CCCCCC1 ZINC000477454831 998162661 /nfs/dbraw/zinc/16/26/61/998162661.db2.gz UHICPZSVBSTZAS-INIZCTEOSA-N -1 3 413.584 3.869 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)NCc3cccc(C(C)C)c3)c2)n1 ZINC000477568522 998286114 /nfs/dbraw/zinc/28/61/14/998286114.db2.gz FDVXRSYLSYGQDX-UHFFFAOYSA-N -1 3 418.497 3.790 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCC3(C)CC3)ccc2C)cc1 ZINC000477633584 998351062 /nfs/dbraw/zinc/35/10/62/998351062.db2.gz IOWGPJZNSBVHTF-UHFFFAOYSA-N -1 3 402.516 3.724 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)CCc2ccc3ccccc3n2)cc1OC ZINC000485970623 998411417 /nfs/dbraw/zinc/41/14/17/998411417.db2.gz NWWFMLLSXYZWBF-UHFFFAOYSA-N -1 3 413.499 3.576 20 0 HHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1ccc(Oc2ccc(F)c(F)c2)cc1 ZINC000486031552 998478905 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Cc1nc(C)c(CC(=O)N[C@H](c2ccc(Br)cc2)C2CCC2)c(=O)[n-]1 ZINC000490723296 999997453 /nfs/dbraw/zinc/99/74/53/999997453.db2.gz UOFKDHFFRGUZDY-SFHVURJKSA-N -1 3 404.308 3.762 20 0 HHADHM O=S(=O)([N-]CCC(F)(F)F)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000491581164 1000085609 /nfs/dbraw/zinc/08/56/09/1000085609.db2.gz JQKHIQQCMQTZSV-GFCCVEGCSA-N -1 3 401.834 3.519 20 0 HHADHM COC(=O)c1cccc([N-]S(=O)(=O)c2cc(F)ccc2Cl)c1Br ZINC000491582839 1000085776 /nfs/dbraw/zinc/08/57/76/1000085776.db2.gz CJGJFTBOTJBWIS-UHFFFAOYSA-N -1 3 422.659 3.829 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H]3CC3(C)C)ccc2C)cc1 ZINC000492482891 1000128677 /nfs/dbraw/zinc/12/86/77/1000128677.db2.gz MJSOUZLCSYVWDM-LJQANCHMSA-N -1 3 402.516 3.723 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N(C)Cc2cccc3[nH]ccc32)cc1OC ZINC000493073722 1000156413 /nfs/dbraw/zinc/15/64/13/1000156413.db2.gz ATKRBJVBNQWKPE-UHFFFAOYSA-N -1 3 416.503 3.602 20 0 HHADHM O=S(=O)([N-]C[C@H]1CCOc2ccccc21)c1cccc(Cl)c1Br ZINC000493210856 1000163307 /nfs/dbraw/zinc/16/33/07/1000163307.db2.gz NNHOTCSTSQQBBV-LLVKDONJSA-N -1 3 416.724 3.947 20 0 HHADHM Cc1nc(C)c(CC[N-]S(=O)(=O)c2cccc(Cl)c2Br)s1 ZINC000493211716 1000163297 /nfs/dbraw/zinc/16/32/97/1000163297.db2.gz RJTAIEFKCKKZEK-UHFFFAOYSA-N -1 3 409.758 3.697 20 0 HHADHM COc1ccc(CC[N-]S(=O)(=O)c2cccc(Cl)c2Br)cc1F ZINC000493285118 1000167560 /nfs/dbraw/zinc/16/75/60/1000167560.db2.gz YGXPYEIURDSSDL-UHFFFAOYSA-N -1 3 422.703 3.771 20 0 HHADHM COc1ccc(CC[N-]S(=O)(=O)c2cccc(Cl)c2Br)cc1 ZINC000493446433 1000174507 /nfs/dbraw/zinc/17/45/07/1000174507.db2.gz YKMXXJIOUHHUEN-UHFFFAOYSA-N -1 3 404.713 3.632 20 0 HHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@H](C)C(F)(F)F)c2)cc1 ZINC000493736845 1000189131 /nfs/dbraw/zinc/18/91/31/1000189131.db2.gz LHGDNSMWHXIAND-CYBMUJFWSA-N -1 3 400.422 3.785 20 0 HHADHM CO[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Br)c1ccc(F)cc1 ZINC000493820385 1000195538 /nfs/dbraw/zinc/19/55/38/1000195538.db2.gz NYWLBPPRDXHDGC-ZDUSSCGKSA-N -1 3 422.703 3.908 20 0 HHADHM C[C@@H](CCO)C1(C[N-]S(=O)(=O)c2cccc(Cl)c2Br)CCC1 ZINC000493915900 1000211793 /nfs/dbraw/zinc/21/17/93/1000211793.db2.gz GEZMZACJUMQIFS-NSHDSACASA-N -1 3 410.761 3.570 20 0 HHADHM CC(C)(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2Br)CCO1 ZINC000493945850 1000230523 /nfs/dbraw/zinc/23/05/23/1000230523.db2.gz UYZUZJQQQBGBOX-MFKMUULPSA-N -1 3 410.761 3.975 20 0 HHADHM Cc1c([N-]S(=O)(=O)c2ccc3c(c2)CCO3)cccc1-c1nnc2n1CCCCC2 ZINC000504536920 1000256581 /nfs/dbraw/zinc/25/65/81/1000256581.db2.gz WGDRIVPVEMNWMA-UHFFFAOYSA-N -1 3 424.526 3.716 20 0 HHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc(NC(C)=O)cc(C(F)(F)F)c3)nc21 ZINC000494089896 1000303494 /nfs/dbraw/zinc/30/34/94/1000303494.db2.gz SPVNVKBARKCIFH-UHFFFAOYSA-N -1 3 420.347 3.579 20 0 HHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(-c2nc(Cc3ccc(F)cc3)no2)ccc1F ZINC000504652139 1000309946 /nfs/dbraw/zinc/30/99/46/1000309946.db2.gz HSHRLBMGSFTFMU-UHFFFAOYSA-N -1 3 407.442 3.682 20 0 HHADHM COC(=O)c1cccc2[n-]c(NC(=O)CCc3ncc(-c4ccc(OC)cc4)o3)nc21 ZINC000494131452 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CC(C)(C)OC(=O)Cc1ccccc1[N-]S(=O)(=O)Cc1cc(C(C)(C)C)on1 ZINC000507949846 1002483050 /nfs/dbraw/zinc/48/30/50/1002483050.db2.gz JNRKVTDTKITQFB-UHFFFAOYSA-N -1 3 408.520 3.798 20 0 HHADHM CCOC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2cc(C(C)=O)ccc2Cl)c1 ZINC000507978883 1002507830 /nfs/dbraw/zinc/50/78/30/1002507830.db2.gz KFPYJLNUTSLTBY-UHFFFAOYSA-N -1 3 411.863 3.529 20 0 HHADHM COc1ccc(S(=O)(=O)[N-][C@H](c2c[nH]c3ccccc32)C(F)(F)F)cc1F ZINC000508066652 1002587880 /nfs/dbraw/zinc/58/78/80/1002587880.db2.gz DKKIVORXRJMMAE-MRXNPFEDSA-N -1 3 402.369 3.898 20 0 HHADHM O=C(N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000508106711 1002632450 /nfs/dbraw/zinc/63/24/50/1002632450.db2.gz XJXXWYLMHJSCOT-ZDUSSCGKSA-N -1 3 416.277 3.622 20 0 HHADHM CC(=O)Nc1ccc(OC[C@@H](O)CN(Cc2cccc([O-])c2Cl)C(C)C)cc1 ZINC000508261770 1002780597 /nfs/dbraw/zinc/78/05/97/1002780597.db2.gz DAATTXXVAYMCIJ-SFHVURJKSA-N -1 3 406.910 3.654 20 0 HHADHM CCCN(Cc1ccccc1Br)C(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000499589285 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CCOc1ccccc1CCNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000522153043 1010836227 /nfs/dbraw/zinc/83/62/27/1010836227.db2.gz LYNADAROGHMBAJ-UHFFFAOYSA-N -1 3 415.287 3.662 20 0 HHADHM Cc1[n-][nH]c(=O)c1CCNc1nc(-c2cccnc2)nc2sc3c(c21)CCCC3 ZINC000522249168 1010888301 /nfs/dbraw/zinc/88/83/01/1010888301.db2.gz BCLXKAKNNUUTKC-AWEZNQCLSA-N -1 3 406.515 3.556 20 0 HHADHM Cc1c(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)nnn1-c1cccc(Cl)c1 ZINC000522260361 1010892750 /nfs/dbraw/zinc/89/27/50/1010892750.db2.gz PTSGLJKXUKSCNC-UHFFFAOYSA-N -1 3 420.860 3.540 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(C[S@@](=O)Cc3ccccc3)c2)cc1 ZINC000522512923 1011057183 /nfs/dbraw/zinc/05/71/83/1011057183.db2.gz ZSRPTKPMIOWDJC-MHZLTWQESA-N -1 3 415.536 3.945 20 0 HHADHM O=S(=O)([N-][C@H]1CCCN(c2cccc(F)c2)C1)c1ccc(F)cc1C(F)(F)F ZINC000522555874 1011078282 /nfs/dbraw/zinc/07/82/82/1011078282.db2.gz AGRWNNISGMIEHN-AWEZNQCLSA-N -1 3 420.403 3.931 20 0 HHADHM CO[C@@H](c1ccc(F)cc1)[C@H](C)[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000536125892 1011248278 /nfs/dbraw/zinc/24/82/78/1011248278.db2.gz PCMMDUXWRMFXKB-MGPLVRAMSA-N -1 3 420.275 3.782 20 0 HHADHM COC1(C)CN(C(=O)c2ccc(C)c([N-]S(=O)(=O)c3c(C)cc(C)cc3C)c2)C1 ZINC000540804341 1011465330 /nfs/dbraw/zinc/46/53/30/1011465330.db2.gz DCFFEHBRGSQRRA-UHFFFAOYSA-N -1 3 416.543 3.582 20 0 HHADHM Cc1cc(C)n(-c2ccc(CC(=O)Nc3ccc(-c4nc(C)cc(=O)[n-]4)cc3)cc2)n1 ZINC000523033484 1011503609 /nfs/dbraw/zinc/50/36/09/1011503609.db2.gz MDQFOOUFGWHIHE-UHFFFAOYSA-N -1 3 413.481 3.729 20 0 HHADHM CCOC(=O)c1cc(NC(=O)c2csc(-c3ccc(OC(C)C)cc3)n2)[n-]n1 ZINC000540849498 1011514101 /nfs/dbraw/zinc/51/41/01/1011514101.db2.gz KDHRLVWTXVEOFU-UHFFFAOYSA-N -1 3 400.460 3.749 20 0 HHADHM CCOC(=O)c1cc(NC(=O)c2csc(-c3ccc(OC(C)C)cc3)n2)n[n-]1 ZINC000540849498 1011514114 /nfs/dbraw/zinc/51/41/14/1011514114.db2.gz KDHRLVWTXVEOFU-UHFFFAOYSA-N -1 3 400.460 3.749 20 0 HHADHM COc1cccc([C@H]2[C@@H]([N-]S(=O)(=O)c3cc4ccccc4o3)CCN2C2CC2)c1 ZINC000540894701 1011568657 /nfs/dbraw/zinc/56/86/57/1011568657.db2.gz IYQXYSQWDFPTOK-UGKGYDQZSA-N -1 3 412.511 3.698 20 0 HHADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCCc3ccc(C)cc32)cc1 ZINC000523123525 1011589594 /nfs/dbraw/zinc/58/95/94/1011589594.db2.gz MVIPBQCWSBKMNG-UHFFFAOYSA-N -1 3 422.572 3.678 20 0 HHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@H](C)C[C@H]3CCCO3)c2)cc1 ZINC000523263359 1011745377 /nfs/dbraw/zinc/74/53/77/1011745377.db2.gz PPPWNOYGUSYFQM-IEBWSBKVSA-N -1 3 416.543 3.792 20 0 HHADHM COc1cccc(N2CC[C@@H](C[N-]S(=O)(=O)c3cc(Cl)ccc3Cl)C2)c1 ZINC000523297155 1011777202 /nfs/dbraw/zinc/77/72/02/1011777202.db2.gz COJASSTWZPFJEO-ZDUSSCGKSA-N -1 3 415.342 3.807 20 0 HHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000541135142 1011794225 /nfs/dbraw/zinc/79/42/25/1011794225.db2.gz IMOHNXQGHPWJKS-IBGZPJMESA-N -1 3 402.372 3.761 20 0 HHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)c1 ZINC000541141221 1011800120 /nfs/dbraw/zinc/80/01/20/1011800120.db2.gz XVNMBXINQQYBPM-SFHVURJKSA-N -1 3 408.376 3.583 20 0 HHADHM COc1cc(F)cc(C[N-]S(=O)(=O)c2cc(Br)sc2Cl)c1 ZINC000536703644 1011874066 /nfs/dbraw/zinc/87/40/66/1011874066.db2.gz XQXWLUVAUBBLJK-UHFFFAOYSA-N -1 3 414.705 3.790 20 0 HHADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H](C)CCC(C)(C)C)cc1 ZINC000523411144 1011890713 /nfs/dbraw/zinc/89/07/13/1011890713.db2.gz PUAUSHXHZWKHEX-HNNXBMFYSA-N -1 3 404.598 3.722 20 0 HHADHM CC(C)[C@@H]1C[C@H](NC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)CCO1 ZINC000536773165 1011978723 /nfs/dbraw/zinc/97/87/23/1011978723.db2.gz VWYKBAHKTCFELQ-APWZRJJASA-N -1 3 423.941 3.609 20 0 HHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)C1(Cc2ccccc2Br)CC1 ZINC000551851433 1012004442 /nfs/dbraw/zinc/00/44/42/1012004442.db2.gz RJGMRQULOLRVKH-UHFFFAOYSA-N -1 3 412.291 3.514 20 0 HHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)C1(Cc2ccccc2Br)CC1 ZINC000551851433 1012004458 /nfs/dbraw/zinc/00/44/58/1012004458.db2.gz RJGMRQULOLRVKH-UHFFFAOYSA-N -1 3 412.291 3.514 20 0 HHADHM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(F)cc1Br ZINC000541303847 1012007113 /nfs/dbraw/zinc/00/71/13/1012007113.db2.gz MUMCHLTVYCTZOO-UHFFFAOYSA-N -1 3 404.305 3.858 20 0 HHADHM Cc1ccsc1CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000536884805 1012135221 /nfs/dbraw/zinc/13/52/21/1012135221.db2.gz GSVQQFDTNBOJHR-UHFFFAOYSA-N -1 3 418.515 3.969 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)c3ccc4c(c3)CCC=C4)c2)[n-]1 ZINC000552217318 1012229963 /nfs/dbraw/zinc/22/99/63/1012229963.db2.gz DGOUYOOFYRLBKG-UHFFFAOYSA-N -1 3 402.454 3.538 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)c3ccc4c(c3)CCC=C4)c2)n[n-]1 ZINC000552217318 1012229981 /nfs/dbraw/zinc/22/99/81/1012229981.db2.gz DGOUYOOFYRLBKG-UHFFFAOYSA-N -1 3 402.454 3.538 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc([C@@H](C)N3CCOCC3)cc2)c(C)c1 ZINC000523643615 1012235361 /nfs/dbraw/zinc/23/53/61/1012235361.db2.gz SLPKKCJGDYGINS-QGZVFWFLSA-N -1 3 404.532 3.506 20 0 HHADHM CC(C)COC1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CC1 ZINC000523650384 1012243529 /nfs/dbraw/zinc/24/35/29/1012243529.db2.gz CYDKFTFGDRYBNR-UHFFFAOYSA-N -1 3 407.308 3.568 20 0 HHADHM CC(C)(C)c1csc(C[N-]S(=O)(=O)c2ccc(F)cc2Br)n1 ZINC000552531526 1012550169 /nfs/dbraw/zinc/55/01/69/1012550169.db2.gz HBQUYSMGLHRKSR-UHFFFAOYSA-N -1 3 407.330 3.821 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCc3cccc(F)c3[C@@H]2C)c1 ZINC000541728725 1012580468 /nfs/dbraw/zinc/58/04/68/1012580468.db2.gz ZGKNXLFPBDUEKG-LBPRGKRZSA-N -1 3 409.417 3.840 20 0 HHADHM CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)cc1 ZINC000541799271 1012676414 /nfs/dbraw/zinc/67/64/14/1012676414.db2.gz UFZCSKXFZUAAQB-HNNXBMFYSA-N -1 3 414.527 3.890 20 0 HHADHM CC(C)Oc1ccc([N-]S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)cc1 ZINC000541800901 1012679430 /nfs/dbraw/zinc/67/94/30/1012679430.db2.gz OYHJSZSTRXIXDQ-UHFFFAOYSA-N -1 3 400.500 3.500 20 0 HHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N[C@@H]1CCCOc2c(Cl)cccc21 ZINC000537240076 1012680464 /nfs/dbraw/zinc/68/04/64/1012680464.db2.gz WYPINSYFBVPUCW-OAHLLOKOSA-N -1 3 412.877 3.848 20 0 HHADHM CC(C)c1ccc(CCCNC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000523951007 1012690852 /nfs/dbraw/zinc/69/08/52/1012690852.db2.gz MUAYLUCBXSJNKK-UHFFFAOYSA-N -1 3 414.980 3.552 20 0 HHADHM O=C(COc1cccc(I)c1)Nc1c([O-])cccc1Cl ZINC000552783450 1012789197 /nfs/dbraw/zinc/78/91/97/1012789197.db2.gz WWASLIYNBVTNCT-UHFFFAOYSA-N -1 3 403.603 3.668 20 0 HHADHM O=C(CNC(=O)c1ccc([O-])cc1)Nc1ccc(OCc2cccc(F)c2)c(F)c1 ZINC000524156793 1012946388 /nfs/dbraw/zinc/94/63/88/1012946388.db2.gz YFAYCLPOCOKLHZ-UHFFFAOYSA-N -1 3 412.392 3.618 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC[C@H]2CCCCC(F)(F)C2)c1 ZINC000552996346 1012972355 /nfs/dbraw/zinc/97/23/55/1012972355.db2.gz OHRVWDUANWOZHY-ZDUSSCGKSA-N -1 3 407.417 3.886 20 0 HHADHM CSCC[C@@H]([N-]S(=O)(=O)c1ccccc1)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000904399493 1071756643 /nfs/dbraw/zinc/75/66/43/1071756643.db2.gz QOAFGNZKMRQXTQ-QGZVFWFLSA-N -1 3 421.519 3.957 20 0 HHADHM O=S(=O)([N-]C1CCN(Cc2ccc(F)c(F)c2)CC1)c1ccc(Cl)cc1F ZINC000614859868 1071780155 /nfs/dbraw/zinc/78/01/55/1071780155.db2.gz AWZOOHDJGLDXSU-UHFFFAOYSA-N -1 3 418.868 3.700 20 0 HHADHM CSCC[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1)c1nc(-c2cccc(F)c2)no1 ZINC000904533292 1071800019 /nfs/dbraw/zinc/80/00/19/1071800019.db2.gz MQARIGCZBHBMBF-QGZVFWFLSA-N -1 3 421.519 3.957 20 0 HHADHM CSCC[C@@H]([N-]S(=O)(=O)c1ccccc1)c1nc(-c2cccc(F)c2)no1 ZINC000904534137 1071800162 /nfs/dbraw/zinc/80/01/62/1071800162.db2.gz BINUKIMXTAAUKU-MRXNPFEDSA-N -1 3 407.492 3.648 20 0 HHADHM COc1cccc(-c2noc([C@H](CCSC)[N-]S(=O)(=O)c3ccccc3)n2)c1 ZINC000904603684 1071822440 /nfs/dbraw/zinc/82/24/40/1071822440.db2.gz CWFXBAKJAAPGQX-KRWDZBQOSA-N -1 3 419.528 3.518 20 0 HHADHM C[C@H]1[C@@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)CCN1Cc1ccccc1 ZINC001212064266 1071942037 /nfs/dbraw/zinc/94/20/37/1071942037.db2.gz MURFUPOJLFNEAA-AAEUAGOBSA-N -1 3 405.372 3.996 20 0 HHADHM CCOc1ccc(Oc2cc(CNC(=O)CCc3c(C)nc(C)[n-]c3=O)ccn2)cc1 ZINC000614954093 1072002165 /nfs/dbraw/zinc/00/21/65/1072002165.db2.gz AKDKDHBRYQQRCG-UHFFFAOYSA-N -1 3 422.485 3.634 20 0 HHADHM Cc1cc(F)cc(-c2noc([C@@H](N)CCc3cc(=O)oc4cc([O-])ccc34)n2)c1F ZINC001212097808 1072075252 /nfs/dbraw/zinc/07/52/52/1072075252.db2.gz KJFICZKBFYVAFF-INIZCTEOSA-N -1 3 413.380 3.768 20 0 HHADHM N[C@@H](CCc1cc(=O)oc2cc([O-])ccc12)c1nc(-c2ccc3scnc3c2)no1 ZINC001212097871 1072075413 /nfs/dbraw/zinc/07/54/13/1072075413.db2.gz NHMVAKBTQKHMEW-HNNXBMFYSA-N -1 3 420.450 3.791 20 0 HHADHM CCO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC001212138586 1072112230 /nfs/dbraw/zinc/11/22/30/1072112230.db2.gz XUOZYNHRGSFYKK-VXGBXAGGSA-N -1 3 416.259 3.704 20 0 HHADHM O=C([N-]N1C(=O)c2ccccc2C1=O)c1ccccc1OCc1ccc(Cl)cc1 ZINC000912688782 1072264170 /nfs/dbraw/zinc/26/41/70/1072264170.db2.gz UJUOZVYZQNEJGR-UHFFFAOYSA-N -1 3 406.825 3.860 20 0 HHADHM O=C(COC(=O)c1cc(-c2ccco2)[n-]n1)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000913298707 1072359977 /nfs/dbraw/zinc/35/99/77/1072359977.db2.gz BFWQFTDXKCGMBC-UHFFFAOYSA-N -1 3 415.405 3.962 20 0 HHADHM O=C(COC(=O)c1cc(-c2ccco2)n[n-]1)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000913298707 1072359987 /nfs/dbraw/zinc/35/99/87/1072359987.db2.gz BFWQFTDXKCGMBC-UHFFFAOYSA-N -1 3 415.405 3.962 20 0 HHADHM C[C@H](OC(=O)c1cc(-c2ccco2)[n-]n1)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000913302221 1072364374 /nfs/dbraw/zinc/36/43/74/1072364374.db2.gz RLFMFHHBZUAUND-GJZGRUSLSA-N -1 3 407.470 3.971 20 0 HHADHM C[C@H](OC(=O)c1cc(-c2ccco2)n[n-]1)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000913302221 1072364388 /nfs/dbraw/zinc/36/43/88/1072364388.db2.gz RLFMFHHBZUAUND-GJZGRUSLSA-N -1 3 407.470 3.971 20 0 HHADHM CC(C)CCCCCCNC(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000729834541 1072398711 /nfs/dbraw/zinc/39/87/11/1072398711.db2.gz ODYJKGITRHYFCH-UHFFFAOYSA-N -1 3 402.507 3.742 20 0 HHADHM CC(C)c1ccc(CN(C)C(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)cc1 ZINC000729838384 1072409787 /nfs/dbraw/zinc/40/97/87/1072409787.db2.gz VMPMPXXRRWSOFP-UHFFFAOYSA-N -1 3 422.497 3.801 20 0 HHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cccnc3OCC(F)F)nc(=O)c2c1C ZINC000760646867 1072458092 /nfs/dbraw/zinc/45/80/92/1072458092.db2.gz XSGLONWJXJIODS-SECBINFHSA-N -1 3 409.414 3.971 20 0 HHADHM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(F)cc(Br)c2F)cc1 ZINC000783860990 1072464242 /nfs/dbraw/zinc/46/42/42/1072464242.db2.gz IMOBAMAYCICSKD-UHFFFAOYSA-N -1 3 421.219 3.706 20 0 HHADHM C[C@H](OC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)C(=O)OC(C)(C)C ZINC000785416622 1072519193 /nfs/dbraw/zinc/51/91/93/1072519193.db2.gz GSNZRADSRURAFB-ZDUSSCGKSA-N -1 3 423.462 3.514 20 0 HHADHM C[C@H]1c2ccccc2CCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC001126822199 1072682634 /nfs/dbraw/zinc/68/26/34/1072682634.db2.gz ZXBQXUYCAVEUEB-AWEZNQCLSA-N -1 3 404.507 3.662 20 0 HHADHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc2cn[nH]c2cc1C ZINC000479132424 1072741726 /nfs/dbraw/zinc/74/17/26/1072741726.db2.gz VZLPSTWWYCQPFO-GFCCVEGCSA-N -1 3 409.895 3.739 20 0 HHADHM CC(C)C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CC23CCCC3)c(Cl)cc1Cl ZINC000760583218 1072785393 /nfs/dbraw/zinc/78/53/93/1072785393.db2.gz MJMWZWCYWQVIRW-INIZCTEOSA-N -1 3 419.374 3.990 20 0 HHADHM CC(C)(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2Cl)CCO1 ZINC000479392763 1072804842 /nfs/dbraw/zinc/80/48/42/1072804842.db2.gz PPHXZKLOSMVCAH-BXUZGUMPSA-N -1 3 410.761 3.975 20 0 HHADHM O=S(=O)([N-][C@@H](c1ccccc1)[C@H]1CCCO1)c1ccc(Br)s1 ZINC000588170832 1072878010 /nfs/dbraw/zinc/87/80/10/1072878010.db2.gz JHBPQQYIIHEHCU-DOMZBBRYSA-N -1 3 402.335 3.709 20 0 HHADHM COc1ccc(Cl)cc1N1CC[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2F)C1 ZINC000588175492 1072883191 /nfs/dbraw/zinc/88/31/91/1072883191.db2.gz RCVFWHJHKKIVFC-GFCCVEGCSA-N -1 3 419.305 3.698 20 0 HHADHM CCOC(=O)c1ncc(NC(=O)c2ccc3ncn(-c4ccc(Cl)cc4)c3c2)[n-]1 ZINC000588718323 1073176881 /nfs/dbraw/zinc/17/68/81/1073176881.db2.gz VMDUDRVILHCLFE-UHFFFAOYSA-N -1 3 409.833 3.831 20 0 HHADHM CCOC(=O)c1nc(NC(=O)c2ccc3ncn(-c4ccc(Cl)cc4)c3c2)c[n-]1 ZINC000588718323 1073176891 /nfs/dbraw/zinc/17/68/91/1073176891.db2.gz VMDUDRVILHCLFE-UHFFFAOYSA-N -1 3 409.833 3.831 20 0 HHADHM Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)NCc3ccc([O-])c(F)c3)C2)cc1 ZINC000555120105 1073177999 /nfs/dbraw/zinc/17/79/99/1073177999.db2.gz LEFJXWKHARECRR-QGZVFWFLSA-N -1 3 414.481 3.583 20 0 HHADHM Cc1nc(C)c(CCC(=O)Nc2ccc(CN3CCc4ccccc43)cc2)c(=O)[n-]1 ZINC000588811189 1073268755 /nfs/dbraw/zinc/26/87/55/1073268755.db2.gz XYVHIUFUMLZFHC-UHFFFAOYSA-N -1 3 402.498 3.933 20 0 HHADHM CCn1nc(C)c(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)c1C ZINC000588835600 1073297696 /nfs/dbraw/zinc/29/76/96/1073297696.db2.gz XXRRDTQSTJSBLR-UHFFFAOYSA-N -1 3 412.515 3.881 20 0 HHADHM Cc1nc(C)c(CCC(=O)N(CCc2ccccn2)Cc2ccc(F)cc2)c(=O)[n-]1 ZINC000588866284 1073314145 /nfs/dbraw/zinc/31/41/45/1073314145.db2.gz QPXLYGPZKLAHAO-UHFFFAOYSA-N -1 3 408.477 3.537 20 0 HHADHM CC(C)[C@H]([N-]S(=O)(=O)Cc1ccc(C(F)F)cc1)c1nc(-c2ccncc2)no1 ZINC000555297664 1073328446 /nfs/dbraw/zinc/32/84/46/1073328446.db2.gz NBSSIFJHRQWGDH-INIZCTEOSA-N -1 3 422.457 3.886 20 0 HHADHM CC[C@H](Sc1ccccc1)C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000600032316 1073419889 /nfs/dbraw/zinc/41/98/89/1073419889.db2.gz AJMYAPNXWLYLSN-SFHVURJKSA-N -1 3 408.545 3.966 20 0 HHADHM Cc1cccc(COc2ccc([C@@H](C)NC(=O)CNC(=O)c3ccc([O-])cc3)cc2)c1 ZINC000590120157 1073567205 /nfs/dbraw/zinc/56/72/05/1073567205.db2.gz IGSUFUADIIPCQQ-GOSISDBHSA-N -1 3 418.493 3.887 20 0 HHADHM CSCC[C@@H](NC(=O)c1cc([O-])cc(C(F)(F)F)c1)c1nnc2ccccn21 ZINC000590416716 1073798644 /nfs/dbraw/zinc/79/86/44/1073798644.db2.gz CXSOOANVDYNWJZ-CQSZACIVSA-N -1 3 410.421 3.678 20 0 HHADHM Cc1ccc2c(c1)N(C(=O)CS(=O)(=O)[N-]c1ccc(OC(C)C)cc1)CCC2 ZINC000600434330 1073881081 /nfs/dbraw/zinc/88/10/81/1073881081.db2.gz PPDGUQDDMYFQMY-UHFFFAOYSA-N -1 3 402.516 3.503 20 0 HHADHM COC(=O)c1ccc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)c(Br)c1 ZINC000590592703 1073932013 /nfs/dbraw/zinc/93/20/13/1073932013.db2.gz OCJLMSWJZUMVCU-UHFFFAOYSA-N -1 3 422.659 3.829 20 0 HHADHM O=S(=O)([N-]Cc1ccccc1N1CCCC1)c1cc(C(F)(F)F)ccc1F ZINC000590792690 1074005703 /nfs/dbraw/zinc/00/57/03/1074005703.db2.gz LUWNHXRWXIAIPK-UHFFFAOYSA-N -1 3 402.413 3.923 20 0 HHADHM O=S(=O)([N-][C@H]1CCc2nc(-c3ccccc3)ncc2C1)c1cc(F)ccc1Cl ZINC000590793719 1074006198 /nfs/dbraw/zinc/00/61/98/1074006198.db2.gz GDGDEDTXGSKPKB-INIZCTEOSA-N -1 3 417.893 3.772 20 0 HHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)N3CCC(=O)CC3)ccc2C)c(C)c1 ZINC000555988003 1074020626 /nfs/dbraw/zinc/02/06/26/1074020626.db2.gz BIACIBWNNGGTKS-UHFFFAOYSA-N -1 3 414.527 3.526 20 0 HHADHM O=C(CCCc1nccs1)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001649004950 1074070458 /nfs/dbraw/zinc/07/04/58/1074070458.db2.gz CXMOQVZPGMXUCU-ZDUSSCGKSA-N -1 3 411.449 3.665 20 0 HHADHM CC(C)[C@@H](c1ccccc1)N(C)C(=O)C[C@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000760593632 1074136339 /nfs/dbraw/zinc/13/63/39/1074136339.db2.gz VXWVCCBBBMVBBC-KXBFYZLASA-N -1 3 423.966 3.648 20 0 HHADHM CSCC[C@H]([N-]S(=O)(=O)c1ccc(C)cc1)c1nc(-c2ccc(F)cc2)no1 ZINC000904271167 1074189167 /nfs/dbraw/zinc/18/91/67/1074189167.db2.gz SQRKDWKWQJFSQR-KRWDZBQOSA-N -1 3 421.519 3.957 20 0 HHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCSc3ccccc32)cc1Cl ZINC000591386946 1074261777 /nfs/dbraw/zinc/26/17/77/1074261777.db2.gz CEHCJWVVOZWBCN-CQSZACIVSA-N -1 3 414.911 3.953 20 0 HHADHM Cc1nc(C)c(CC(=O)N[C@@H]2c3cc(Br)ccc3SC[C@H]2C)c(=O)[n-]1 ZINC000591370251 1074270612 /nfs/dbraw/zinc/27/06/12/1074270612.db2.gz OBQJQJZMQYYEII-XLFHBGCDSA-N -1 3 422.348 3.703 20 0 HHADHM CCC[C@@H](NC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1)c1ccccn1 ZINC000591400503 1074294179 /nfs/dbraw/zinc/29/41/79/1074294179.db2.gz PKUBIIWHAOCPOL-MRXNPFEDSA-N -1 3 406.508 3.515 20 0 HHADHM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)N1CCCc2occc2C1 ZINC000573283203 1074316043 /nfs/dbraw/zinc/31/60/43/1074316043.db2.gz CUSQPCMWAYNEST-UHFFFAOYSA-N -1 3 414.458 3.808 20 0 HHADHM COCc1nc2scc(-c3ccccc3)c2c(N2CCc3c(=O)[n-]cnc3C2)n1 ZINC000573403265 1074397583 /nfs/dbraw/zinc/39/75/83/1074397583.db2.gz SRTFWGCRLFTSRQ-UHFFFAOYSA-N -1 3 405.483 3.563 20 0 HHADHM CC(=O)Nc1nnc(SCc2nc(=O)c3c(-c4ccco4)csc3[n-]2)s1 ZINC000591663788 1074462731 /nfs/dbraw/zinc/46/27/31/1074462731.db2.gz GHHOJHHKXGBLEN-UHFFFAOYSA-N -1 3 405.486 3.759 20 0 HHADHM O=C(NN1Cc2ccccc2C1=O)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O ZINC000760868298 1074465538 /nfs/dbraw/zinc/46/55/38/1074465538.db2.gz SQTAUKAAIDFMIL-UHFFFAOYSA-N -1 3 411.417 3.621 20 0 HHADHM CCOc1ccc(C2=N/C(=C\c3ccc(OC)c([O-])c3Br)C(=O)O2)cc1 ZINC000761015477 1075186158 /nfs/dbraw/zinc/18/61/58/1075186158.db2.gz MWWNBNOIILLNFL-UVTDQMKNSA-N -1 3 418.243 3.907 20 0 HHADHM COc1ccc(/C=C2\N=C(c3ccc(F)cc3F)OC2=O)c(Br)c1[O-] ZINC000761016010 1075189917 /nfs/dbraw/zinc/18/99/17/1075189917.db2.gz TYANJXXYHCFPPU-SDQBBNPISA-N -1 3 410.170 3.786 20 0 HHADHM O=S(=O)([N-]Cc1nccs1)c1csc(-c2cccc(Br)c2)n1 ZINC000594027008 1075246773 /nfs/dbraw/zinc/24/67/73/1075246773.db2.gz KRSMTIMDKNFCAE-UHFFFAOYSA-N -1 3 416.347 3.508 20 0 HHADHM O=S(=O)([N-]Cc1cccc(OC(F)(F)F)c1)c1ccc(Br)s1 ZINC000033928209 1075467334 /nfs/dbraw/zinc/46/73/34/1075467334.db2.gz UVWGARCKWCUQDR-UHFFFAOYSA-N -1 3 416.240 3.888 20 0 HHADHM Cc1cc(Oc2ccccc2)ccc1[N-]S(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000596931357 1075605173 /nfs/dbraw/zinc/60/51/73/1075605173.db2.gz HRPZDZCVRSCQRA-UHFFFAOYSA-N -1 3 407.455 3.564 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccc(C(N)=O)c3)cc2)c(C)c1 ZINC000597678372 1075690439 /nfs/dbraw/zinc/69/04/39/1075690439.db2.gz WTCPWGXBVXLSFG-UHFFFAOYSA-N -1 3 412.467 3.696 20 0 HHADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)N1CCO[C@@H]2[C@H](OCC3CCCC3)CC[C@@H]21 ZINC001164661640 719343305 /nfs/dbraw/zinc/34/33/05/719343305.db2.gz MADOWZIAJFPOAM-ZENOOKHLSA-N -1 3 419.925 3.907 20 0 HHADHM CC(C)(CCC(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)c1ccccc1 ZINC001123272368 939818447 /nfs/dbraw/zinc/81/84/47/939818447.db2.gz YVTXSTSILDHKKG-VWLOTQADSA-N -1 3 408.542 3.980 20 0 HHADHM C[C@H](C(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC001123269513 939818924 /nfs/dbraw/zinc/81/89/24/939818924.db2.gz ZDMXREKGLHVXQW-KSFYIVLOSA-N -1 3 400.906 3.679 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@H]3CCN(c4cccc(OC)c4)C3)nc2)n1 ZINC000301166760 970783617 /nfs/dbraw/zinc/78/36/17/970783617.db2.gz DYPDLQRNEOTLOX-MRXNPFEDSA-N -1 3 405.502 3.754 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3ccc(CN4CCCC4=O)cc3)nc2)n1 ZINC000301169270 970784384 /nfs/dbraw/zinc/78/43/84/970784384.db2.gz JHKAXNJTHYQKQL-UHFFFAOYSA-N -1 3 403.486 3.541 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CCCN(c4cccc(OC)c4)C3)nc2)n1 ZINC000301317814 970864532 /nfs/dbraw/zinc/86/45/32/970864532.db2.gz OUJIQWDWJLTHBY-GOSISDBHSA-N -1 3 405.502 3.896 20 0 HHADHM Cc1nc(-c2ccc(N3CCN(Cc4cccc(Cl)c4)CC3)nc2)[n-]c(=O)c1C ZINC000301369613 970891704 /nfs/dbraw/zinc/89/17/04/970891704.db2.gz RVPJSRKFGBIXBO-UHFFFAOYSA-N -1 3 409.921 3.837 20 0 HHADHM O=c1[n-]c(SCc2nc(-c3ccccc3)no2)nc2c1cnn2-c1ccccc1 ZINC000301607445 971000286 /nfs/dbraw/zinc/00/02/86/971000286.db2.gz YAYWPNQIHGRROP-UHFFFAOYSA-N -1 3 402.439 3.863 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]3C)nc2)n1 ZINC000301800848 971070622 /nfs/dbraw/zinc/07/06/22/971070622.db2.gz VWNATMZSCYBKDU-RHSMWYFYSA-N -1 3 413.522 3.689 20 0 HHADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N[C@H](c1ccccc1)C1CCCC1 ZINC000303082705 971494750 /nfs/dbraw/zinc/49/47/50/971494750.db2.gz FHMPGBUWEFHQMG-GOSISDBHSA-N -1 3 412.964 3.728 20 0 HHADHM COC(=O)c1sc2[n-]c(CN3CCC[C@H]3c3ccccc3OC)nc(=O)c2c1C ZINC000303176409 971543542 /nfs/dbraw/zinc/54/35/42/971543542.db2.gz KAJHCBUATUSDHL-AWEZNQCLSA-N -1 3 413.499 3.838 20 0 HHADHM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000303262370 971586307 /nfs/dbraw/zinc/58/63/07/971586307.db2.gz DOGCYKWJYWWZTR-CQSZACIVSA-N -1 3 421.324 3.862 20 0 HHADHM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000303314944 971622898 /nfs/dbraw/zinc/62/28/98/971622898.db2.gz PXQPOXMBQULRIX-CQSZACIVSA-N -1 3 421.324 3.862 20 0 HHADHM Cc1c(C(=O)[N-]c2nnc(C(C)(C)C)s2)nnn1-c1ccc(OC(C)C)cc1 ZINC000303330362 971634867 /nfs/dbraw/zinc/63/48/67/971634867.db2.gz JNYCJQKHOSRCBS-UHFFFAOYSA-N -1 3 400.508 3.764 20 0 HHADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](C)Cc2ccc(C(F)(F)F)cc2)c1 ZINC000303518278 971819163 /nfs/dbraw/zinc/81/91/63/971819163.db2.gz YKTFHBQKINEKDR-LLVKDONJSA-N -1 3 419.396 3.541 20 0 HHADHM CCOC(=O)c1cc(NC(=O)c2ccc(SCc3csc(C)n3)cc2)[n-]n1 ZINC000537576768 1013116683 /nfs/dbraw/zinc/11/66/83/1013116683.db2.gz HLWADMYVVOQPTQ-UHFFFAOYSA-N -1 3 402.501 3.896 20 0 HHADHM CCOC(=O)c1cc(NC(=O)c2ccc(SCc3csc(C)n3)cc2)n[n-]1 ZINC000537576768 1013116696 /nfs/dbraw/zinc/11/66/96/1013116696.db2.gz HLWADMYVVOQPTQ-UHFFFAOYSA-N -1 3 402.501 3.896 20 0 HHADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N(Cc1ccoc1)C1CCCCC1 ZINC000303914686 972488782 /nfs/dbraw/zinc/48/87/82/972488782.db2.gz NDACBVVJAWDAKM-UHFFFAOYSA-N -1 3 416.952 3.634 20 0 HHADHM O=C(CSc1nnc([N-]c2ccccc2F)s1)NC(=O)NC1CCCCC1 ZINC000003527566 960535542 /nfs/dbraw/zinc/53/55/42/960535542.db2.gz KPUTZGBXMKGWPZ-UHFFFAOYSA-N -1 3 409.512 3.671 20 0 HHADHM Cc1ncc(CO)c(/C=N/CCSc2ncc(C(F)(F)F)cc2Cl)c1[O-] ZINC000005111123 960654156 /nfs/dbraw/zinc/65/41/56/960654156.db2.gz MPDLRABUKDZQSH-QPSGOUHRSA-N -1 3 405.829 3.866 20 0 HHADHM C[C@@H](OC(=O)c1ccc([O-])cc1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000005693957 960768016 /nfs/dbraw/zinc/76/80/16/960768016.db2.gz CZYBASMFPCPGHK-SNVBAGLBSA-N -1 3 404.394 3.978 20 0 HHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3cncc(Br)c3)nc(=O)c2c1C ZINC000006291904 960878980 /nfs/dbraw/zinc/87/89/80/960878980.db2.gz ZSXKCDFGURFTJO-QMMMGPOBSA-N -1 3 408.277 3.677 20 0 HHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N(C)Cc3cccc(F)c3)nc(=O)c2c1C ZINC000007004335 960976104 /nfs/dbraw/zinc/97/61/04/960976104.db2.gz SEGNKBBWIJBPQW-LBPRGKRZSA-N -1 3 403.479 3.802 20 0 HHADHM Cc1sc2[n-]c(Cn3nnc(-c4ccccc4)n3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000007285572 961105055 /nfs/dbraw/zinc/10/50/55/961105055.db2.gz OUIMHPIYFTWWHM-UHFFFAOYSA-N -1 3 414.494 3.970 20 0 HHADHM O=C(CCC(=O)c1ccc(I)cc1)[N-]OCc1ccccc1 ZINC000008096827 961428154 /nfs/dbraw/zinc/42/81/54/961428154.db2.gz WOIIHHPFYXUCMV-UHFFFAOYSA-N -1 3 409.223 3.502 20 0 HHADHM Cc1cc(C)cc(OCC(=O)N[N-]C(=O)c2cc(Br)ccc2Cl)c1 ZINC000008349238 961524764 /nfs/dbraw/zinc/52/47/64/961524764.db2.gz IUJJDNHEUIPEBK-UHFFFAOYSA-N -1 3 411.683 3.559 20 0 HHADHM O=S(=O)([N-][C@@H](c1ccccc1)c1ccncc1)c1ccc(Br)s1 ZINC000008457499 961542993 /nfs/dbraw/zinc/54/29/93/961542993.db2.gz RMDQRXNSRAJRQO-INIZCTEOSA-N -1 3 409.330 3.974 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1[C@H](C)c2ccc(F)cc2C[C@@H]1C ZINC000537703430 1013269337 /nfs/dbraw/zinc/26/93/37/1013269337.db2.gz IQEDPSKGQUNMAR-GOEBONIOSA-N -1 3 420.488 3.746 20 0 HHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NOCc3ccccc3)c2)cc1 ZINC000009855314 961693153 /nfs/dbraw/zinc/69/31/53/961693153.db2.gz MBWZODSPQNDFHY-UHFFFAOYSA-N -1 3 410.495 3.966 20 0 HHADHM O=S(=O)([N-]C[C@H](O)CCc1ccccc1)c1ccc(Cl)cc1C(F)(F)F ZINC000542319762 1013276188 /nfs/dbraw/zinc/27/61/88/1013276188.db2.gz RPUZQXHDTMUSEQ-CQSZACIVSA-N -1 3 407.841 3.631 20 0 HHADHM COc1ccc(C(=O)N2CCC[C@@H](C(=O)[N-]OCc3ccccc3)C2)c2ccccc12 ZINC000010319298 961791416 /nfs/dbraw/zinc/79/14/16/961791416.db2.gz OCYVRLQAOSGJJA-LJQANCHMSA-N -1 3 418.493 3.949 20 0 HHADHM COc1ccc(C(=O)N2CCC[C@H](C(=O)[N-]OCc3ccccc3)C2)c2ccccc12 ZINC000010319297 961791732 /nfs/dbraw/zinc/79/17/32/961791732.db2.gz OCYVRLQAOSGJJA-IBGZPJMESA-N -1 3 418.493 3.949 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCC2(c3ccccc3)CCC2)c1 ZINC000537726686 1013287065 /nfs/dbraw/zinc/28/70/65/1013287065.db2.gz IUYZSQWJMVBAAU-UHFFFAOYSA-N -1 3 405.454 3.793 20 0 HHADHM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc(Br)cc2C(F)(F)F)CCO1 ZINC000537743010 1013305366 /nfs/dbraw/zinc/30/53/66/1013305366.db2.gz LXSXQYRGHVDYLG-ZJUUUORDSA-N -1 3 416.259 3.561 20 0 HHADHM Cc1cc(C)n(-c2ccc(C(F)(F)F)cc2NC(=O)NCc2cnc(C)[n-]c2=O)n1 ZINC000542359727 1013316459 /nfs/dbraw/zinc/31/64/59/1013316459.db2.gz FLPKLSLRHTXKKA-UHFFFAOYSA-N -1 3 420.395 3.634 20 0 HHADHM Cc1c(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)cnn1C(C)C 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20 0 HHADHM O=C(NCc1ccccc1Cl)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000047296326 968129064 /nfs/dbraw/zinc/12/90/64/968129064.db2.gz LVMGMAPNAYCODO-UHFFFAOYSA-N -1 3 407.854 3.538 20 0 HHADHM O=C(NCc1ccc(Cl)cc1)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000047295305 968129181 /nfs/dbraw/zinc/12/91/81/968129181.db2.gz JONRAEFXXYCIAN-UHFFFAOYSA-N -1 3 407.854 3.538 20 0 HHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N(C)Cc1cccc(Cl)c1Cl ZINC000047328107 968140032 /nfs/dbraw/zinc/14/00/32/968140032.db2.gz JOYUHIBSKACHIZ-UHFFFAOYSA-N -1 3 417.296 3.648 20 0 HHADHM CCOc1ccc2nc(NC(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])sc2c1 ZINC000048029744 968394438 /nfs/dbraw/zinc/39/44/38/968394438.db2.gz JKWUVMZKBNKDTJ-INIZCTEOSA-N -1 3 411.483 3.644 20 0 HHADHM CCN(Cc1ccccc1)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000048211348 968485472 /nfs/dbraw/zinc/48/54/72/968485472.db2.gz NJUVKVDGJXNNCY-UHFFFAOYSA-N -1 3 401.463 3.617 20 0 HHADHM O=C(Cc1ccc(Cl)cc1)N[N-]C(=O)c1ccc(Br)cc1Cl ZINC000048315810 968519888 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1013843546 /nfs/dbraw/zinc/84/35/46/1013843546.db2.gz LACUFZQQIIMRHC-LBPRGKRZSA-N -1 3 419.482 3.683 20 0 HHADHM O=S(=O)([N-]CC(C1CC1)C1CC1)c1cc(Br)ccc1Br ZINC000091306368 969039449 /nfs/dbraw/zinc/03/94/49/969039449.db2.gz UZHXJDXAZIQPDC-UHFFFAOYSA-N -1 3 423.170 3.926 20 0 HHADHM CC(C)(Cc1ccccc1Cl)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000097548336 969156891 /nfs/dbraw/zinc/15/68/91/969156891.db2.gz WKTVORCQCQNZKL-UHFFFAOYSA-N -1 3 424.925 3.671 20 0 HHADHM COc1ccc(Br)c(C(=O)[N-]NC(=O)c2cc3c(s2)CCCCC3)c1 ZINC000104742068 969205033 /nfs/dbraw/zinc/20/50/33/969205033.db2.gz KLFTXKPUASNBRW-UHFFFAOYSA-N -1 3 423.332 3.863 20 0 HHADHM COc1cc(/C=C2/NC(=S)N(C3CCCCC3)C2=O)cc(Br)c1[O-] ZINC000105037332 969218987 /nfs/dbraw/zinc/21/89/87/969218987.db2.gz CAHVYWABGUKGHQ-MDWZMJQESA-N -1 3 411.321 3.554 20 0 HHADHM O=C(Nc1ccc2n[nH]cc2c1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000105601844 969250667 /nfs/dbraw/zinc/25/06/67/969250667.db2.gz SHJGXPLHGVNBRW-UHFFFAOYSA-N -1 3 410.430 3.755 20 0 HHADHM Cc1nc2scc(CC(C)C)c2c(N2CCN(C(=O)c3ccccc3[O-])CC2)n1 ZINC000108080721 969355695 /nfs/dbraw/zinc/35/56/95/969355695.db2.gz JDRHHRRTMYGVFP-UHFFFAOYSA-N -1 3 410.543 3.866 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)CCCOc2cccc(C)c2)cc1OC ZINC000108548786 969393264 /nfs/dbraw/zinc/39/32/64/969393264.db2.gz VWRHYULKWJBUIG-UHFFFAOYSA-N -1 3 406.504 3.563 20 0 HHADHM COC(=O)c1cc(C)nc2nc(SCCCOc3ccc(C)c(C)c3)[n-]c(=O)c12 ZINC000109480210 969523036 /nfs/dbraw/zinc/52/30/36/969523036.db2.gz ACWQBDHVIJDZTC-UHFFFAOYSA-N -1 3 413.499 3.591 20 0 HHADHM CCc1ccc([O-])c(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)c1 ZINC000109813224 969570634 /nfs/dbraw/zinc/57/06/34/969570634.db2.gz PREYCTNXDOWRPU-UHFFFAOYSA-N -1 3 407.297 3.860 20 0 HHADHM CCc1ccc([O-])c(C(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1 ZINC000109814339 969570672 /nfs/dbraw/zinc/57/06/72/969570672.db2.gz IDBXXWABWDZTKS-UHFFFAOYSA-N -1 3 413.827 3.984 20 0 HHADHM COCCCOc1ccc(CNC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000554280838 1013892039 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418.494 3.524 20 0 HHADHM COc1ccc([C@@H](NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)c2ccc(F)cc2)cc1 ZINC000139666756 970041421 /nfs/dbraw/zinc/04/14/21/970041421.db2.gz KTARYLUHOBWUKQ-FQEVSTJZSA-N -1 3 419.412 3.629 20 0 HHADHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@H](CC)CO)c2)cc1 ZINC000216549922 970077852 /nfs/dbraw/zinc/07/78/52/970077852.db2.gz XJMWGZOPFCULQR-GOSISDBHSA-N -1 3 418.559 3.639 20 0 HHADHM COc1ccc([C@H](C)OC(=O)CS(=O)(=O)[N-]c2ccc(OC(C)C)cc2)cc1 ZINC000140824690 970087944 /nfs/dbraw/zinc/08/79/44/970087944.db2.gz BYSNYNNAMFAPQV-HNNXBMFYSA-N -1 3 407.488 3.529 20 0 HHADHM O=c1[n-]c(SCc2cnn(-c3ccccc3)c2)nc2c1cnn2-c1ccccc1 ZINC000219200762 970090444 /nfs/dbraw/zinc/09/04/44/970090444.db2.gz BADIXESHQBWRDY-UHFFFAOYSA-N -1 3 400.467 3.587 20 0 HHADHM O=S(=O)([N-]CCc1c[nH]c2ccc(F)cc12)c1ccc(Br)s1 ZINC000220056438 970095870 /nfs/dbraw/zinc/09/58/70/970095870.db2.gz SVWXADVTIQFQHX-UHFFFAOYSA-N -1 3 403.298 3.652 20 0 HHADHM CCc1ccc([C@H](NCc2nc(C)ccc2[O-])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000236982493 970200062 /nfs/dbraw/zinc/20/00/62/970200062.db2.gz KGPIFEBVIRPAKX-QHCPKHFHSA-N -1 3 410.539 3.941 20 0 HHADHM O=C(NNC(=O)c1ccccc1[O-])Nc1ncc(Cc2cccc(Cl)c2)s1 ZINC000146471449 970293540 /nfs/dbraw/zinc/29/35/40/970293540.db2.gz PUUOVDLHWWOHMJ-UHFFFAOYSA-N -1 3 402.863 3.559 20 0 HHADHM COc1ccc(NC(=O)C(C#N)=C([O-])c2sc(C(C)(C)C)nc2C)cc1OC ZINC000147132019 970319411 /nfs/dbraw/zinc/31/94/11/970319411.db2.gz HUYQTSUWDPWKAH-CYBMUJFWSA-N -1 3 401.488 3.727 20 0 HHADHM CCc1nnsc1C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000248008426 970499158 /nfs/dbraw/zinc/49/91/58/970499158.db2.gz HSSXGTIRZVTJHC-UHFFFAOYSA-N -1 3 420.491 3.601 20 0 HHADHM C[C@@H]1CN(C(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)[C@@H]2CCCC[C@@H]21 ZINC000554663214 1014004795 /nfs/dbraw/zinc/00/47/95/1014004795.db2.gz BCUKRTNUUIRDHV-XJKCOSOUSA-N -1 3 419.374 3.699 20 0 HHADHM Cc1nc([N-]C(=O)c2ccc(S(C)(=O)=O)o2)sc1Cc1ccccc1Cl ZINC000261469858 970705871 /nfs/dbraw/zinc/70/58/71/970705871.db2.gz 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CC(=O)Nc1cccc([C@H](C)NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)c1 ZINC000410287197 973814247 /nfs/dbraw/zinc/81/42/47/973814247.db2.gz XHWMDYIPTZWCDG-ZDUSSCGKSA-N -1 3 405.458 3.999 20 0 HHADHM COc1cccc(Cc2nnc([N-]C(=O)c3nnn(-c4cccc(C)c4)c3C)s2)c1 ZINC000410289855 973819714 /nfs/dbraw/zinc/81/97/14/973819714.db2.gz CMIFVABFBUFCLN-UHFFFAOYSA-N -1 3 420.498 3.587 20 0 HHADHM Cc1cccc2oc(CC[N-]S(=O)(=O)c3ccc(F)cc3C(F)(F)F)nc21 ZINC000410316114 973859609 /nfs/dbraw/zinc/85/96/09/973859609.db2.gz DUXNBMLFCNFNFF-UHFFFAOYSA-N -1 3 402.369 3.815 20 0 HHADHM Cc1cscc1CNC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000426358716 974413822 /nfs/dbraw/zinc/41/38/22/974413822.db2.gz HEBUDVXBMUBKHF-UHFFFAOYSA-N -1 3 407.923 3.976 20 0 HHADHM COC(=O)c1ccc(-c2nc(-c3ccc(OCc4ccc(OC)cc4)nc3)no2)[n-]1 ZINC000426408312 974436205 /nfs/dbraw/zinc/43/62/05/974436205.db2.gz CGHDGHMQDKZTQA-UHFFFAOYSA-N -1 3 406.398 3.501 20 0 HHADHM Clc1cccnc1-c1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000426603573 974557656 /nfs/dbraw/zinc/55/76/56/974557656.db2.gz BZJMRPBVFYSAKU-UHFFFAOYSA-N -1 3 403.627 4.000 20 0 HHADHM O=C([O-])[C@@H](CNCc1cc(Cl)ccc1OC[C@H]1CCCO1)Oc1ccc(F)cc1 ZINC000426626457 974570299 /nfs/dbraw/zinc/57/02/99/974570299.db2.gz AHIUWWTXXHEPIZ-UYAOXDASSA-N -1 3 423.868 3.659 20 0 HHADHM COc1cc(Br)c(CNC[C@@H](CC(=O)[O-])c2ccccc2)c(OC)c1 ZINC000426634266 974573981 /nfs/dbraw/zinc/57/39/81/974573981.db2.gz LDDFXVRYTOOUIY-CQSZACIVSA-N -1 3 408.292 3.814 20 0 HHADHM COc1cc(Br)c(CNC[C@@H](Cc2ccc(C)cc2)C(=O)[O-])c(OC)c1 ZINC000426641076 974578033 /nfs/dbraw/zinc/57/80/33/974578033.db2.gz XSADMCVABDAZFX-OAHLLOKOSA-N -1 3 422.319 3.808 20 0 HHADHM COc1ccc(CNC[C@H](Cc2ccccc2C)C(=O)[O-])c(Br)c1O ZINC000426666443 974591071 /nfs/dbraw/zinc/59/10/71/974591071.db2.gz RNGJPLKEHVXHJX-HNNXBMFYSA-N -1 3 408.292 3.505 20 0 HHADHM COc1ccc(C[NH2+]C[C@H](Cc2ccccc2C)C(=O)[O-])c(Br)c1[O-] ZINC000426666443 974591077 /nfs/dbraw/zinc/59/10/77/974591077.db2.gz RNGJPLKEHVXHJX-HNNXBMFYSA-N -1 3 408.292 3.505 20 0 HHADHM COc1cc(C[NH2+]CCC[C@@H](Cc2ccccc2)C(=O)[O-])cc(Br)c1[O-] ZINC000426672344 974593388 /nfs/dbraw/zinc/59/33/88/974593388.db2.gz AGUNNOWEXQALKH-INIZCTEOSA-N -1 3 422.319 3.977 20 0 HHADHM CCN(C(=O)c1c[n-]c2ccc(Br)cc2c1=O)[C@@H]1CCOC(C)(C)C1 ZINC000426685730 974598903 /nfs/dbraw/zinc/59/89/03/974598903.db2.gz KBOORZNZRSBYHC-CYBMUJFWSA-N -1 3 407.308 3.710 20 0 HHADHM O=C([O-])[C@H](CC1CCCC1)NCc1ncc(Br)cc1Br ZINC000426719156 974614403 /nfs/dbraw/zinc/61/44/03/974614403.db2.gz DPZVXDLANODDRT-LBPRGKRZSA-N -1 3 406.118 3.730 20 0 HHADHM O=C([O-])[C@@H](Cc1ccc2c(c1)OCCCO2)NCc1csc(-c2ccccc2)n1 ZINC000426724001 974617145 /nfs/dbraw/zinc/61/71/45/974617145.db2.gz OZINBCGJEUSHER-GOSISDBHSA-N -1 3 410.495 3.757 20 0 HHADHM O=C([O-])[C@H](Cn1ccc(C(F)(F)F)n1)NCc1ccc(-c2cccc(F)c2F)o1 ZINC000426725397 974617765 /nfs/dbraw/zinc/61/77/65/974617765.db2.gz BSSKMVMTGQSEAY-ZDUSSCGKSA-N -1 3 415.318 3.683 20 0 HHADHM O=C([O-])[C@H](CN1CCCCC1)NCc1csc(-c2cccc(Br)c2)n1 ZINC000426738124 974625780 /nfs/dbraw/zinc/62/57/80/974625780.db2.gz SYHRIDFVEOGWPD-INIZCTEOSA-N -1 3 424.364 3.601 20 0 HHADHM COc1cc(CN[C@@H](C(=O)[O-])c2cccc(Cl)c2)cc(Br)c1O ZINC000426739687 974626518 /nfs/dbraw/zinc/62/65/18/974626518.db2.gz DORHOCDKIPNFQY-CQSZACIVSA-N -1 3 400.656 3.732 20 0 HHADHM COc1ccc(CN[C@H](Cc2cccc(Cl)c2)C(=O)[O-])c(Br)c1O ZINC000426743214 974629005 /nfs/dbraw/zinc/62/90/05/974629005.db2.gz NHMCDUTYXVBAOQ-CYBMUJFWSA-N -1 3 414.683 3.602 20 0 HHADHM COc1cc2c(c(CN[C@H](CSCCc3ccccc3)C(=O)[O-])c1)O[C@H](C)C2 ZINC000426743831 974630110 /nfs/dbraw/zinc/63/01/10/974630110.db2.gz PHXWGJINLMWYDF-FOIQADDNSA-N -1 3 401.528 3.537 20 0 HHADHM C[C@]1(C(=O)[O-])CCCC[C@H]1NCc1ncc(Br)cc1Br ZINC000426755930 974637506 /nfs/dbraw/zinc/63/75/06/974637506.db2.gz GVWZXRPUVJJUKC-OCCSQVGLSA-N -1 3 406.118 3.730 20 0 HHADHM O=C([O-])[C@H](Cc1cccc(Br)c1)NCc1coc(-c2ccccc2)n1 ZINC000426760763 974639651 /nfs/dbraw/zinc/63/96/51/974639651.db2.gz UMWJFIOUSXPBGS-KRWDZBQOSA-N -1 3 401.260 3.890 20 0 HHADHM COc1cc(C[C@H](NCc2csc(-c3ccc(F)cc3)n2)C(=O)[O-])cc(OC)c1 ZINC000426792335 974663499 /nfs/dbraw/zinc/66/34/99/974663499.db2.gz IXPQYTSZJISHIO-IBGZPJMESA-N -1 3 416.474 3.752 20 0 HHADHM COc1ccc([C@@H](CC(=O)[O-])NCc2cc(Br)cs2)cc1OC ZINC000426806998 974674879 /nfs/dbraw/zinc/67/48/79/974674879.db2.gz FLSGOZLUJVHWEY-CYBMUJFWSA-N -1 3 400.294 3.833 20 0 HHADHM COCCOc1ccc(CN[C@@H](CC(=O)[O-])c2cccc(Br)c2)cc1 ZINC000426807608 974675550 /nfs/dbraw/zinc/67/55/50/974675550.db2.gz IELVVAMSUYVIHF-SFHVURJKSA-N -1 3 408.292 3.780 20 0 HHADHM COc1cc(CN[C@@H](C(=O)[O-])c2ccc(O)cc2)ccc1OCc1c(C)noc1C ZINC000426808654 974676741 /nfs/dbraw/zinc/67/67/41/974676741.db2.gz AQRVQVIMQCFFOC-OAQYLSRUSA-N -1 3 412.442 3.500 20 0 HHADHM CCOc1c(OC)cc(CN[C@@H](C(=O)[O-])c2ccc(Br)cc2)cc1OC ZINC000426813500 974679226 /nfs/dbraw/zinc/67/92/26/974679226.db2.gz XTAPUWBAWWQZOB-QGZVFWFLSA-N -1 3 424.291 3.781 20 0 HHADHM C[C@H](Cc1ccc(F)c(Br)c1)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000427071496 974877104 /nfs/dbraw/zinc/87/71/04/974877104.db2.gz GSNMWXLGJKRCRI-LLVKDONJSA-N -1 3 418.270 3.509 20 0 HHADHM C[C@H](Cc1ccc(F)c(Br)c1)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000427071496 974877109 /nfs/dbraw/zinc/87/71/09/974877109.db2.gz GSNMWXLGJKRCRI-LLVKDONJSA-N -1 3 418.270 3.509 20 0 HHADHM Cc1nc(-c2ccc(C)cc2)c(CC(=O)Nc2ccc(Cc3nnn[n-]3)cc2)s1 ZINC000427073261 974878671 /nfs/dbraw/zinc/87/86/71/974878671.db2.gz IMJIITHFIDZPFU-UHFFFAOYSA-N -1 3 404.499 3.712 20 0 HHADHM Cc1nc(-c2ccc(C)cc2)c(CC(=O)Nc2ccc(Cc3nn[n-]n3)cc2)s1 ZINC000427073261 974878678 /nfs/dbraw/zinc/87/86/78/974878678.db2.gz IMJIITHFIDZPFU-UHFFFAOYSA-N -1 3 404.499 3.712 20 0 HHADHM CCCCOc1c(Cl)cc(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)cc1OC ZINC000427078402 974883818 /nfs/dbraw/zinc/88/38/18/974883818.db2.gz USPALWKIVAPKNC-UHFFFAOYSA-N -1 3 415.881 3.884 20 0 HHADHM CCCCOc1c(Cl)cc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)cc1OC ZINC000427078402 974883822 /nfs/dbraw/zinc/88/38/22/974883822.db2.gz USPALWKIVAPKNC-UHFFFAOYSA-N -1 3 415.881 3.884 20 0 HHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000427082578 974887986 /nfs/dbraw/zinc/88/79/86/974887986.db2.gz SMWPWIYGSNPXKS-UHFFFAOYSA-N -1 3 414.256 3.535 20 0 HHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000427082578 974887992 /nfs/dbraw/zinc/88/79/92/974887992.db2.gz SMWPWIYGSNPXKS-UHFFFAOYSA-N -1 3 414.256 3.535 20 0 HHADHM CC(C)N(CC(F)F)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000427229219 974992294 /nfs/dbraw/zinc/99/22/94/974992294.db2.gz GAIBRIPGCDLXCN-UHFFFAOYSA-N -1 3 400.422 3.742 20 0 HHADHM Cc1nc(COc2ccc(C=C(Cc3ccccc3)c3nccc(=O)[n-]3)cc2)no1 ZINC000427289800 975027545 /nfs/dbraw/zinc/02/75/45/975027545.db2.gz WRNTUCHKAAMHPF-RGEXLXHISA-N -1 3 400.438 3.824 20 0 HHADHM COCc1cc([N-]S(=O)(=O)c2cc(C(C)C)c(OC)cc2C)cc(C(=O)OC)c1 ZINC000427293257 975030799 /nfs/dbraw/zinc/03/07/99/975030799.db2.gz ZHDFQVNULXPOCX-UHFFFAOYSA-N -1 3 421.515 3.861 20 0 HHADHM COCc1cc(C(=O)OC)cc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2F)c1 ZINC000427344412 975067057 /nfs/dbraw/zinc/06/70/57/975067057.db2.gz IPGWTTARBSAUSM-UHFFFAOYSA-N -1 3 422.261 3.866 20 0 HHADHM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccnc(N3CCc4ccccc4C3)c2)c1 ZINC000427639447 975220067 /nfs/dbraw/zinc/22/00/67/975220067.db2.gz PIYXGZIZDOKUFK-UHFFFAOYSA-N -1 3 407.495 3.648 20 0 HHADHM O=C(Nc1ccc([O-])c(Cl)c1)[C@H]1CC[C@H](C(=O)Nc2ccc(O)c(Cl)c2)O1 ZINC000427649330 975223975 /nfs/dbraw/zinc/22/39/75/975223975.db2.gz XBJLWGIXYKNVOP-HZPDHXFCSA-N -1 3 411.241 3.529 20 0 HHADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1CC[C@H](C(=O)Nc2cc(Cl)ccc2O)O1 ZINC000427652418 975225278 /nfs/dbraw/zinc/22/52/78/975225278.db2.gz DOGQWBDCBGTWMV-HZPDHXFCSA-N -1 3 411.241 3.529 20 0 HHADHM O=S(=O)([N-][C@@H]1CCO[C@]2(CCSC2)C1)c1ccc(Cl)cc1C(F)(F)F ZINC000427774467 975281424 /nfs/dbraw/zinc/28/14/24/975281424.db2.gz ABWWCSKDEQBIEG-BXUZGUMPSA-N -1 3 415.886 3.692 20 0 HHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)cnc1C ZINC000427781865 975285050 /nfs/dbraw/zinc/28/50/50/975285050.db2.gz JDNNPDDZNCVZLO-UHFFFAOYSA-N -1 3 408.785 3.650 20 0 HHADHM COc1ccccc1[C@H]([N-]S(=O)(=O)c1ccccc1OC(F)F)c1ccco1 ZINC000427798578 975295197 /nfs/dbraw/zinc/29/51/97/975295197.db2.gz OGVICPVFNRVCLE-SFHVURJKSA-N -1 3 409.410 3.958 20 0 HHADHM COc1ccccc1-c1noc([C@@H](C)[N-]S(=O)(=O)C[C@H](C)c2ccccc2)n1 ZINC000427836746 975314534 /nfs/dbraw/zinc/31/45/34/975314534.db2.gz OZLKSGDZCXIWMW-LSDHHAIUSA-N -1 3 401.488 3.529 20 0 HHADHM Cn1c2cc([O-])c(NC(=O)c3ccccc3Sc3ccccc3)cc2n(C)c1=O ZINC000427869472 975328830 /nfs/dbraw/zinc/32/88/30/975328830.db2.gz SFPZRPFPMZWSPN-UHFFFAOYSA-N -1 3 405.479 3.986 20 0 HHADHM CC(C)OCc1c2ccccc2oc1C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000427880798 975331476 /nfs/dbraw/zinc/33/14/76/975331476.db2.gz WWDYMEIIRWIUPG-UHFFFAOYSA-N -1 3 409.442 3.506 20 0 HHADHM O=C(NCc1ccc([O-])c(F)c1)C1(c2ccc(Br)cc2)CCOCC1 ZINC000427950193 975363525 /nfs/dbraw/zinc/36/35/25/975363525.db2.gz MNJDKAHHNXIHMR-UHFFFAOYSA-N -1 3 408.267 3.658 20 0 HHADHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)Nc2ccc(C3CCC3)cc2)CCCC1 ZINC000428046517 975404341 /nfs/dbraw/zinc/40/43/41/975404341.db2.gz VDPFRVRPVVSJPG-UHFFFAOYSA-N -1 3 417.531 3.789 20 0 HHADHM CS(=O)(=O)[N-]c1cncc(C(=O)Nc2ccccc2-c2c(F)cccc2F)c1 ZINC000428141036 975474432 /nfs/dbraw/zinc/47/44/32/975474432.db2.gz KWSAVULJIXQRKR-UHFFFAOYSA-N -1 3 403.410 3.651 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@@H](OC(C)C)c2ccccc2)cc1OC ZINC000428143435 975475942 /nfs/dbraw/zinc/47/59/42/975475942.db2.gz VZCNUHGOSGRSLN-IBGZPJMESA-N -1 3 406.504 3.562 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(Cl)cc2F)c1 ZINC000428273924 975588719 /nfs/dbraw/zinc/58/87/19/975588719.db2.gz PLGYKRVTROJNTJ-UHFFFAOYSA-N -1 3 403.797 3.663 20 0 HHADHM Cc1ccc([C@H]2C[C@@H](C)N(C(=O)CCc3c(C)nc(-c4ccncc4)[n-]c3=O)C2)cc1 ZINC000428330600 975638498 /nfs/dbraw/zinc/63/84/98/975638498.db2.gz NGICXOASXGPLGA-UTKZUKDTSA-N -1 3 416.525 3.786 20 0 HHADHM O=S(=O)([N-]C[C@]1(CO)C[C@@H]1c1ccc(F)cc1)c1cccc(Cl)c1Cl ZINC000428375400 975697271 /nfs/dbraw/zinc/69/72/71/975697271.db2.gz CENIJCRXPJQRMC-DYVFJYSZSA-N -1 3 404.290 3.577 20 0 HHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCc1nc(-c2ccccc2F)cs1 ZINC000428545662 975851084 /nfs/dbraw/zinc/85/10/84/975851084.db2.gz VOSAGVFEEODBQF-UHFFFAOYSA-N -1 3 423.473 3.744 20 0 HHADHM CCC(C)(C)CNC(=O)NCc1cccc([N-]S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000428602794 975911091 /nfs/dbraw/zinc/91/10/91/975911091.db2.gz DCEHGLRVVXQLEP-UHFFFAOYSA-N -1 3 419.547 3.731 20 0 HHADHM CC(C)c1ccc(Cn2nccc2NC(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000429534386 976795630 /nfs/dbraw/zinc/79/56/30/976795630.db2.gz ZOYNEYOTBPHHCI-UHFFFAOYSA-N -1 3 407.400 3.513 20 0 HHADHM COC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)c1ccc(F)cc1 ZINC000429814747 977087338 /nfs/dbraw/zinc/08/73/38/977087338.db2.gz NFEXESAMVPTIOJ-AWEZNQCLSA-N -1 3 422.703 3.908 20 0 HHADHM CO[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Br)c1ccccc1 ZINC000429818265 977090562 /nfs/dbraw/zinc/09/05/62/977090562.db2.gz PMKLIBNVPXYXIM-AWEZNQCLSA-N -1 3 404.713 3.769 20 0 HHADHM O=S(=O)([N-][C@@H]1CCc2c1cccc2O)c1cc(Cl)ccc1Br ZINC000429834589 977105123 /nfs/dbraw/zinc/10/51/23/977105123.db2.gz WYMKRXNQXCBMSW-CYBMUJFWSA-N -1 3 402.697 3.774 20 0 HHADHM C[C@H](C[C@@H]1CCCO1)NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430646944 977665946 /nfs/dbraw/zinc/66/59/46/977665946.db2.gz FGBBOSADZAECIF-KOLCDFICSA-N -1 3 413.699 3.631 20 0 HHADHM COC(=O)c1ccnc(NC(=O)c2c[n-]c3ccc(Oc4ccccc4)cc3c2=O)c1 ZINC000430658100 977671970 /nfs/dbraw/zinc/67/19/70/977671970.db2.gz ZZKSADOYNNLGBK-UHFFFAOYSA-N -1 3 415.405 3.754 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cccc(C(F)(F)F)c2F)cc1OC ZINC000430723880 977712703 /nfs/dbraw/zinc/71/27/03/977712703.db2.gz LGGRMMIUMYCPIC-UHFFFAOYSA-N -1 3 420.384 3.867 20 0 HHADHM Cc1nc(-c2ccc(N3C(=O)[C@H](Cc4ccccc4)N(C4CC4)C3=O)cc2)cc(=O)[n-]1 ZINC000430936775 977900341 /nfs/dbraw/zinc/90/03/41/977900341.db2.gz WVDPVEYFNLAWJI-NRFANRHFSA-N -1 3 414.465 3.700 20 0 HHADHM C[C@@H](O)C[C@H](C[N-]S(=O)(=O)c1csc(-c2ccccc2)n1)c1ccccc1 ZINC000431310872 978196786 /nfs/dbraw/zinc/19/67/86/978196786.db2.gz FUDYEJVWISYMJM-CRAIPNDOSA-N -1 3 402.541 3.643 20 0 HHADHM CN(C)c1ccc(Br)c(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)F)c1 ZINC000431639231 978400481 /nfs/dbraw/zinc/40/04/81/978400481.db2.gz XLFFMXRUFABNTI-OAHLLOKOSA-N -1 3 419.291 3.800 20 0 HHADHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CCSc3ccc(Cl)cc32)oc1C ZINC000431805599 978527149 /nfs/dbraw/zinc/52/71/49/978527149.db2.gz VFFFJLKELKZTEL-CYBMUJFWSA-N -1 3 401.893 3.543 20 0 HHADHM COC(=O)c1cc(S(=O)(=O)[N-][C@H](Cc2ccccc2)c2cccs2)oc1C ZINC000431826161 978540011 /nfs/dbraw/zinc/54/00/11/978540011.db2.gz ZGIVNVOECFJYKJ-MRXNPFEDSA-N -1 3 405.497 3.698 20 0 HHADHM N[C@@](C(=O)Nc1cc(Br)ccc1[O-])(c1cccc(F)c1)C(F)(F)F ZINC000431863890 978558572 /nfs/dbraw/zinc/55/85/72/978558572.db2.gz UIWYVPUINYSZOY-CQSZACIVSA-N -1 3 407.161 3.649 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3ccc(C)nc3)c2)cc1 ZINC000431880688 978573933 /nfs/dbraw/zinc/57/39/33/978573933.db2.gz DUOKGFNZKFVIEW-UHFFFAOYSA-N -1 3 411.483 3.760 20 0 HHADHM COc1cc(NC(=O)c2cc([O-])ccc2Cl)c(C(=O)N2CCCC2)cc1OC ZINC000431953275 978616642 /nfs/dbraw/zinc/61/66/42/978616642.db2.gz IILMAAYQYSSVNG-UHFFFAOYSA-N -1 3 404.850 3.551 20 0 HHADHM O=S(=O)(CCOc1ccc(F)cc1)[N-]c1cccc(-c2noc(C3CC3)n2)c1 ZINC000432460151 978823730 /nfs/dbraw/zinc/82/37/30/978823730.db2.gz LPAMMIPUHGSTSS-UHFFFAOYSA-N -1 3 403.435 3.574 20 0 HHADHM CN(C)[C@H]1CCOc2c([N-]S(=O)(=O)c3cccc(OC(F)(F)F)c3)cccc21 ZINC000432491306 978845724 /nfs/dbraw/zinc/84/57/24/978845724.db2.gz RCJQMIGMANJPBW-INIZCTEOSA-N -1 3 416.421 3.771 20 0 HHADHM CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(Cl)c(OC)cc2C)c1C ZINC000432628189 978916752 /nfs/dbraw/zinc/91/67/52/978916752.db2.gz ZTJGOCRERKXYAM-UHFFFAOYSA-N -1 3 411.911 3.908 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H]3CCCN(c4ccccc4)C3=O)c2)n1 ZINC000432645945 978924033 /nfs/dbraw/zinc/92/40/33/978924033.db2.gz AAFKMXCJNFGQKC-FQEVSTJZSA-N -1 3 416.481 3.793 20 0 HHADHM COC(=O)CCOc1ccc([N-]S(=O)(=O)c2cc(C(C)C)c(OC)cc2C)cc1 ZINC000432762292 978964095 /nfs/dbraw/zinc/96/40/95/978964095.db2.gz FIELHNLIHOQGLX-UHFFFAOYSA-N -1 3 421.515 3.870 20 0 HHADHM CN(C)c1ccc(S(=O)(=O)[N-]c2ccc3nc(N4CCCC4)sc3c2)cc1 ZINC000432763148 978964637 /nfs/dbraw/zinc/96/46/37/978964637.db2.gz AJTBEYREPSSAKP-UHFFFAOYSA-N -1 3 402.545 3.763 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc(N(C)C)cc2)cc1OCC(F)(F)F ZINC000432771155 978969083 /nfs/dbraw/zinc/96/90/83/978969083.db2.gz JNCNOOWPUHIKKS-UHFFFAOYSA-N -1 3 404.410 3.503 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(Cn3nc(C)nc3C)c2)cc1Cl ZINC000432772425 978969790 /nfs/dbraw/zinc/96/97/90/978969790.db2.gz UJLAXZDJJBQWFB-UHFFFAOYSA-N -1 3 420.922 3.714 20 0 HHADHM CN(C)c1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cccs3)cc2)cc1 ZINC000432772009 978969923 /nfs/dbraw/zinc/96/99/23/978969923.db2.gz OQLSHWZQDQBDNE-UHFFFAOYSA-N -1 3 401.513 3.867 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)Nc3cc(Cl)ccc3F)c2)[n-]1 ZINC000432885318 979001144 /nfs/dbraw/zinc/00/11/44/979001144.db2.gz KQYWSFXTCLJYBC-UHFFFAOYSA-N -1 3 417.828 3.763 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)Nc3cc(Cl)ccc3F)c2)n[n-]1 ZINC000432885318 979001150 /nfs/dbraw/zinc/00/11/50/979001150.db2.gz KQYWSFXTCLJYBC-UHFFFAOYSA-N -1 3 417.828 3.763 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCc3c(Cl)cc(Cl)cc3[C@H]2C)c(C)o1 ZINC000433055750 979053808 /nfs/dbraw/zinc/05/38/08/979053808.db2.gz BTDJMOJLWMBANP-SECBINFHSA-N -1 3 417.314 3.562 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)Nc3ccccc3OC(C)C)c2)[n-]1 ZINC000433279362 979212628 /nfs/dbraw/zinc/21/26/28/979212628.db2.gz QYARPSDHUHRGAW-UHFFFAOYSA-N -1 3 423.473 3.757 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)Nc3ccccc3OC(C)C)c2)n[n-]1 ZINC000433279362 979212631 /nfs/dbraw/zinc/21/26/31/979212631.db2.gz QYARPSDHUHRGAW-UHFFFAOYSA-N -1 3 423.473 3.757 20 0 HHADHM O=S(=O)([N-]CC1(CO)CC(c2ccccc2)C1)c1c(Cl)cccc1Cl ZINC000433369612 979258917 /nfs/dbraw/zinc/25/89/17/979258917.db2.gz YHNQSEMKSQEAHR-UHFFFAOYSA-N -1 3 400.327 3.828 20 0 HHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc(-c4nc(C5CC5)no4)cc3)cc2)n1 ZINC000433415853 979286791 /nfs/dbraw/zinc/28/67/91/979286791.db2.gz WUEOYEYCIQGSDF-UHFFFAOYSA-N -1 3 413.437 3.925 20 0 HHADHM CN(C)c1nc(C(=O)N(C)[C@H](c2ccc(F)cc2)c2ccc(Cl)cc2)cc(=O)[n-]1 ZINC000433708732 979504854 /nfs/dbraw/zinc/50/48/54/979504854.db2.gz KKBDQVCICQDYCT-IBGZPJMESA-N -1 3 414.868 3.902 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]Cc2cccc(OC(F)F)c2)sc1Br ZINC000433831649 979610232 /nfs/dbraw/zinc/61/02/32/979610232.db2.gz OHYWZBQCDUZZAM-UHFFFAOYSA-N -1 3 412.277 3.899 20 0 HHADHM CNS(=O)(=O)c1cc(C(=O)[N-]c2cccc(Cl)c2SCC(F)F)c(C)o1 ZINC000434269214 980030101 /nfs/dbraw/zinc/03/01/01/980030101.db2.gz LNSVCGYGDHTPCA-UHFFFAOYSA-N -1 3 424.878 3.759 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc3nc(C(C)(C)C)sc3c2)c(C)o1 ZINC000434351255 980110444 /nfs/dbraw/zinc/11/04/44/980110444.db2.gz AYVZOFJGMSRIEV-UHFFFAOYSA-N -1 3 407.517 3.656 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)N[C@@H](C)[C@H](C)c3ccccc3)c2)[n-]1 ZINC000434396855 980141890 /nfs/dbraw/zinc/14/18/90/980141890.db2.gz UOYACQVEHLERSK-HOTGVXAUSA-N -1 3 421.501 3.640 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)N[C@@H](C)[C@H](C)c3ccccc3)c2)n[n-]1 ZINC000434396855 980141895 /nfs/dbraw/zinc/14/18/95/980141895.db2.gz UOYACQVEHLERSK-HOTGVXAUSA-N -1 3 421.501 3.640 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCCC[C@@H]1c1ccc(F)cc1F ZINC000434537289 980237224 /nfs/dbraw/zinc/23/72/24/980237224.db2.gz ZZZNAGBLSRLMDH-HXUWFJFHSA-N -1 3 424.451 3.715 20 0 HHADHM COC(=O)c1ccnc(-c2nc(=O)c3c(-c4ccc(OC)c(OC)c4)csc3[n-]2)c1 ZINC000434937964 980513294 /nfs/dbraw/zinc/51/32/94/980513294.db2.gz MNZUFLDEDITBBW-UHFFFAOYSA-N -1 3 423.450 3.930 20 0 HHADHM O=S(=O)([N-]Cc1ccccc1OC(F)F)c1cc(F)ccc1Br ZINC000434953772 980527858 /nfs/dbraw/zinc/52/78/58/980527858.db2.gz CTVJVZVNZWKTSH-UHFFFAOYSA-N -1 3 410.211 3.668 20 0 HHADHM CC(C)c1nnc([N-]C(=O)c2cc(I)c(F)cc2F)s1 ZINC000435149302 980679817 /nfs/dbraw/zinc/67/98/17/980679817.db2.gz UUVNYODDTQHZDL-UHFFFAOYSA-N -1 3 409.199 3.797 20 0 HHADHM O=S(=O)([N-][C@H]1COc2ccc(Cl)cc21)c1cc(F)ccc1Br ZINC000435212483 980725358 /nfs/dbraw/zinc/72/53/58/980725358.db2.gz FKNGROJCJBFPKW-LBPRGKRZSA-N -1 3 406.660 3.654 20 0 HHADHM COc1ccc(CCC[N-]S(=O)(=O)c2cc(F)ccc2Br)cc1 ZINC000435213740 980726236 /nfs/dbraw/zinc/72/62/36/980726236.db2.gz POFPGZBRRRUPCT-UHFFFAOYSA-N -1 3 402.285 3.508 20 0 HHADHM COc1ccccc1[C@@]1(C)C[C@@H]1[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000435220484 980729811 /nfs/dbraw/zinc/72/98/11/980729811.db2.gz OZCOXBNDVZLJLD-DLBZAZTESA-N -1 3 414.296 3.605 20 0 HHADHM CC(C)(C)[C@@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000435225419 980733439 /nfs/dbraw/zinc/73/34/39/980733439.db2.gz JJADDSKONMBYGJ-XHDPSFHLSA-N -1 3 408.333 3.708 20 0 HHADHM Cc1oc2nc[nH]c(=O)c2c1C(=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000435468641 980881805 /nfs/dbraw/zinc/88/18/05/980881805.db2.gz DTDPTJUJJAYZCF-UHFFFAOYSA-N -1 3 404.213 3.608 20 0 HHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)c1cc(F)ccc1Br ZINC000435585989 980950615 /nfs/dbraw/zinc/95/06/15/980950615.db2.gz VZQUPDNGAUIVNZ-TVQRCGJNSA-N -1 3 424.213 3.840 20 0 HHADHM Cc1conc1[N-]C(=O)c1nc(-c2cccs2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC000435724040 981003437 /nfs/dbraw/zinc/00/34/37/981003437.db2.gz ROXCGVNGECGPDO-UHFFFAOYSA-N -1 3 419.388 4.563 20 0 HHADHM O=C(Nc1cccc(C[S@@](=O)C2CCCCC2)c1)c1cc(F)cc2n[n-]nc21 ZINC000435925201 981095718 /nfs/dbraw/zinc/09/57/18/981095718.db2.gz DAQSRYXATKDCTI-MUUNZHRXSA-N -1 3 400.479 3.931 20 0 HHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(-c2nc(COc3ccccc3F)no2)ccc1F ZINC000436004532 981146994 /nfs/dbraw/zinc/14/69/94/981146994.db2.gz DJZXKSPKRSZJSR-UHFFFAOYSA-N -1 3 423.441 3.671 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cn(-c4cccc(Cl)c4)nn3)c2)n1 ZINC000436074530 981189307 /nfs/dbraw/zinc/18/93/07/981189307.db2.gz LCHVRFKHSJFHOF-UHFFFAOYSA-N -1 3 420.860 3.898 20 0 HHADHM CCC(=O)NCc1cc(S(=O)(=O)[N-]c2cccc(C(C)(F)F)c2)ccc1OC ZINC000436164264 981229611 /nfs/dbraw/zinc/22/96/11/981229611.db2.gz TVZXYFPXKUZSMY-UHFFFAOYSA-N -1 3 412.458 3.634 20 0 HHADHM C[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1)c1nc(C2CCCCC2)no1 ZINC000436178485 981237212 /nfs/dbraw/zinc/23/72/12/981237212.db2.gz VGJFLHVNNLIORL-NSHDSACASA-N -1 3 414.325 3.919 20 0 HHADHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1ccccc1COCc1ccccc1 ZINC000436481521 981395345 /nfs/dbraw/zinc/39/53/45/981395345.db2.gz BPSMTAQQWBXPOP-UHFFFAOYSA-N -1 3 419.481 3.661 20 0 HHADHM CC[C@H](CC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(OC)cc1 ZINC000436483236 981395899 /nfs/dbraw/zinc/39/58/99/981395899.db2.gz KABZMTWSEBGRIZ-QGZVFWFLSA-N -1 3 410.514 3.706 20 0 HHADHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1cccc(OCc2ccc(F)cc2)c1 ZINC000436485353 981396161 /nfs/dbraw/zinc/39/61/61/981396161.db2.gz OTSWAHLRBVRPJW-UHFFFAOYSA-N -1 3 423.444 3.662 20 0 HHADHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1ccccc1N1CCc2ccccc21 ZINC000436487517 981397435 /nfs/dbraw/zinc/39/74/35/981397435.db2.gz SQZQQDAEIXOUDZ-UHFFFAOYSA-N -1 3 416.481 3.638 20 0 HHADHM CCS(=O)(=O)c1cccc(CNC(=O)c2cc(Cc3ccccc3)ccc2[O-])c1 ZINC000436496372 981401191 /nfs/dbraw/zinc/40/11/91/981401191.db2.gz QKHOZIDFCOCUAU-UHFFFAOYSA-N -1 3 409.507 3.707 20 0 HHADHM O=C(CNC(=O)c1cc(Oc2ccccc2)ccc1[O-])N[C@@H]1CCOc2ccccc21 ZINC000436515818 981411913 /nfs/dbraw/zinc/41/19/13/981411913.db2.gz WPBNDGPTKYHAPZ-HXUWFJFHSA-N -1 3 418.449 3.554 20 0 HHADHM Cc1cccc(C2(CNC(=O)N3CCN(C(=O)c4ccccc4[O-])CC3)CCCC2)c1 ZINC000436522659 981415874 /nfs/dbraw/zinc/41/58/74/981415874.db2.gz WFJBJTOEUGGQIY-UHFFFAOYSA-N -1 3 421.541 3.680 20 0 HHADHM Cc1noc(C)c1C[C@@H](C)NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436523710 981416780 /nfs/dbraw/zinc/41/67/80/981416780.db2.gz CNUYILJHLGHQJO-IVZQSRNASA-N -1 3 421.497 3.606 20 0 HHADHM CO[C@]1(C)C[C@@H](NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1(C)C ZINC000436524604 981417545 /nfs/dbraw/zinc/41/75/45/981417545.db2.gz AQUHJGRKURFCFV-DCLXLUIPSA-N -1 3 410.514 3.573 20 0 HHADHM CC(C)(C(N)=O)c1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])cc1 ZINC000436534889 981425883 /nfs/dbraw/zinc/42/58/83/981425883.db2.gz IYPHXEBECABFID-UHFFFAOYSA-N -1 3 404.466 3.986 20 0 HHADHM CC(C)CSCCNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436538195 981427966 /nfs/dbraw/zinc/42/79/66/981427966.db2.gz SNAICVBZTLVHHK-HXUWFJFHSA-N -1 3 400.544 3.759 20 0 HHADHM CCCS(=O)(=O)Nc1cccc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)c1 ZINC000436537904 981428001 /nfs/dbraw/zinc/42/80/01/981428001.db2.gz PRWIIANIKHLFEF-UHFFFAOYSA-N -1 3 404.488 3.510 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CC[C@@H](C2CCOCC2)C1 ZINC000436540511 981430283 /nfs/dbraw/zinc/43/02/83/981430283.db2.gz ZMGUSNNUZWOONM-FYYLOGMGSA-N -1 3 422.525 3.529 20 0 HHADHM CN1CCCN(C(=O)c2ccccc2NC(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000436541888 981431213 /nfs/dbraw/zinc/43/12/13/981431213.db2.gz ADZONDWJMHWUHD-UHFFFAOYSA-N -1 3 403.482 3.575 20 0 HHADHM CCC[C@@H](NC(=O)c1ccc(OC)cc1[O-])C(=O)Nc1cccc(N2CCCC2)c1 ZINC000436543943 981432639 /nfs/dbraw/zinc/43/26/39/981432639.db2.gz NKVOHVIBEUNULA-HXUWFJFHSA-N -1 3 411.502 3.538 20 0 HHADHM CCOC(=O)c1csc(CNC(=O)c2cc(CCc3ccccc3)ccc2[O-])n1 ZINC000436549829 981436289 /nfs/dbraw/zinc/43/62/89/981436289.db2.gz XKZKIMDUFIYUDB-UHFFFAOYSA-N -1 3 410.495 3.741 20 0 HHADHM O=C(CCc1cccc(OC2CCCC2)c1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436553831 981439390 /nfs/dbraw/zinc/43/93/90/981439390.db2.gz DCYGNSWLIAIPKJ-UHFFFAOYSA-N -1 3 422.525 3.631 20 0 HHADHM O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436554798 981440166 /nfs/dbraw/zinc/44/01/66/981440166.db2.gz IRQQUGATDVIGKL-UHFFFAOYSA-N -1 3 418.449 3.909 20 0 HHADHM O=C(c1cc2c(cc1[O-])OCO2)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000436556804 981441699 /nfs/dbraw/zinc/44/16/99/981441699.db2.gz MCXQCTKJZWEKAL-KRWDZBQOSA-N -1 3 414.216 3.781 20 0 HHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCCC[C@@H]1CN1CCOCC1 ZINC000436557111 981442514 /nfs/dbraw/zinc/44/25/14/981442514.db2.gz VJLHHRIWGQGPKC-JOCHJYFZSA-N -1 3 408.542 3.504 20 0 HHADHM Cc1ccsc1CCNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436560775 981444500 /nfs/dbraw/zinc/44/45/00/981444500.db2.gz HKOFQAOTLWVNGE-FQEVSTJZSA-N -1 3 408.523 3.982 20 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/nfs/dbraw/zinc/47/04/13/981470413.db2.gz PPHPUBWOWIYMMD-UHFFFAOYSA-N -1 3 414.464 3.918 20 0 HHADHM C[C@H](O)C[C@H]1CCCCCN1C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436607270 981471759 /nfs/dbraw/zinc/47/17/59/981471759.db2.gz IFDACVZFGYDVIZ-QTGUNEKASA-N -1 3 424.541 3.796 20 0 HHADHM NC(=O)c1ccc(OCC(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)cc1 ZINC000436609812 981472960 /nfs/dbraw/zinc/47/29/60/981472960.db2.gz XGVUPGOSAHCYRJ-UHFFFAOYSA-N -1 3 419.462 3.785 20 0 HHADHM CC1CCN(c2cccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])c2)CC1 ZINC000436616266 981475908 /nfs/dbraw/zinc/47/59/08/981475908.db2.gz DHMUPMFJCPZULX-NRFANRHFSA-N -1 3 407.514 3.872 20 0 HHADHM CC(=O)c1ccc(C(=O)NCc2cc(Br)ccc2OC(F)F)cc1[O-] ZINC000436622277 981479755 /nfs/dbraw/zinc/47/97/55/981479755.db2.gz BZDSOJRQPCTPEC-UHFFFAOYSA-N -1 3 414.202 3.889 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCC[C@@H]1[C@@H]1CCCC1=O ZINC000436627381 981482085 /nfs/dbraw/zinc/48/20/85/981482085.db2.gz 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COc1cc(C2(C(=O)NC3CCN(C(=O)c4ccccc4[O-])CC3)CCC2)ccc1C ZINC000436643163 981489742 /nfs/dbraw/zinc/48/97/42/981489742.db2.gz WJSAZQPOKGYXQX-UHFFFAOYSA-N -1 3 422.525 3.552 20 0 HHADHM Cc1ccc(-n2ncc(NC(=O)NCCNC(=O)c3ccc([O-])cc3)c2C(C)C)cc1 ZINC000436650895 981492640 /nfs/dbraw/zinc/49/26/40/981492640.db2.gz SMESOSGKCSPICT-UHFFFAOYSA-N -1 3 421.501 3.561 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)c([O-])c1 ZINC000436660185 981496920 /nfs/dbraw/zinc/49/69/20/981496920.db2.gz BZXCFDRRBINYLR-UHFFFAOYSA-N -1 3 420.513 3.827 20 0 HHADHM CC1(C)Cc2ccc(C(=O)Nc3cccc(C(=O)N4CCSCC4)c3)c([O-])c2O1 ZINC000436662489 981498479 /nfs/dbraw/zinc/49/84/79/981498479.db2.gz ZAOLSNNGMHFEIE-UHFFFAOYSA-N -1 3 412.511 3.547 20 0 HHADHM CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000436664965 981499848 /nfs/dbraw/zinc/49/98/48/981499848.db2.gz MQQPAIKEMMVSIV-HXUWFJFHSA-N -1 3 420.513 3.554 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCc2oc3ccccc3c2C)c1 ZINC000436669723 981502157 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417.465 3.809 20 0 HHADHM COc1cc(-c2nc(Cc3cc(Br)ccc3F)no2)cc(OC)c1[O-] ZINC000436691173 981515276 /nfs/dbraw/zinc/51/52/76/981515276.db2.gz SBXSKFQQIFGPBL-UHFFFAOYSA-N -1 3 409.211 3.952 20 0 HHADHM COc1ccc(COCCCc2noc(-c3cc(OC)c([O-])c(OC)c3)n2)cc1 ZINC000436691879 981515427 /nfs/dbraw/zinc/51/54/27/981515427.db2.gz ULUWFRQBAZYXHH-UHFFFAOYSA-N -1 3 400.431 3.617 20 0 HHADHM COc1ccc(Cc2noc(-c3cc(OC)c([O-])c(OC)c3)n2)c(Cl)c1OC ZINC000436692243 981516081 /nfs/dbraw/zinc/51/60/81/981516081.db2.gz WFQCCNCIBPOVGV-UHFFFAOYSA-N -1 3 406.822 3.721 20 0 HHADHM O=C(Nc1ccc(NC(=O)c2cc3c(cc2[O-])OCO3)cc1Cl)c1ccco1 ZINC000436693894 981517343 /nfs/dbraw/zinc/51/73/43/981517343.db2.gz XCLINFCHGHWUIG-UHFFFAOYSA-N -1 3 400.774 3.872 20 0 HHADHM Cc1nc(-c2cccc(NC(=O)N3CCN(C(=O)c4ccccc4[O-])CC3)c2)oc1C ZINC000436703038 981521383 /nfs/dbraw/zinc/52/13/83/981521383.db2.gz FVBXPUDKRSRMDO-UHFFFAOYSA-N -1 3 420.469 3.654 20 0 HHADHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1ccc(-c2ccc(Cl)s2)nc1 ZINC000436708018 981523376 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LNOXULKDYQCZAM-UHFFFAOYSA-N -1 3 403.463 3.949 20 0 HHADHM O=C(NCc1nc(-c2ccc(Br)cc2)n[nH]1)c1ccc([O-])c(Cl)c1 ZINC000436730882 981536132 /nfs/dbraw/zinc/53/61/32/981536132.db2.gz NGBHLQOQTSIGSA-UHFFFAOYSA-N -1 3 407.655 3.523 20 0 HHADHM O=C(N[C@@H]1CCCC[C@@H]1Cc1ccccc1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436730686 981536354 /nfs/dbraw/zinc/53/63/54/981536354.db2.gz MGRSJVRLWMJOKL-IFMALSPDSA-N -1 3 421.541 3.661 20 0 HHADHM CCCCOc1ccc(C(=O)N[C@@H](C)c2ccc(S(=O)(=O)CC)cc2)c([O-])c1 ZINC000436735186 981537532 /nfs/dbraw/zinc/53/75/32/981537532.db2.gz LVERZFHOPCHFLD-HNNXBMFYSA-N -1 3 405.516 3.856 20 0 HHADHM CCC(CC)(CNC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccccc1 ZINC000436737268 981538903 /nfs/dbraw/zinc/53/89/03/981538903.db2.gz JDNUKZASAAQVAU-UHFFFAOYSA-N -1 3 409.530 3.618 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NC1CC(C(F)(F)F)C1 ZINC000436738432 981539645 /nfs/dbraw/zinc/53/96/45/981539645.db2.gz LDZHKFPAOQRRHN-HTWSVDAQSA-N -1 3 406.404 3.711 20 0 HHADHM CCOc1ccccc1C1=CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000436744699 981542272 /nfs/dbraw/zinc/54/22/72/981542272.db2.gz OVNHNBVTDYNVQS-NRFANRHFSA-N -1 3 420.509 3.711 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)Nc2cccc(Cl)c2OCC(F)F)c([O-])c1 ZINC000436748013 981543446 /nfs/dbraw/zinc/54/34/46/981543446.db2.gz NTDNWUNBFOEMQV-UHFFFAOYSA-N -1 3 412.820 3.757 20 0 HHADHM O=C(Nc1ccc(F)cc1C(F)(F)F)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436749878 981544640 /nfs/dbraw/zinc/54/46/40/981544640.db2.gz UZIJSQDWOISIHX-UHFFFAOYSA-N -1 3 411.355 3.540 20 0 HHADHM COc1cc(NC(=O)c2cc3c(cc2[O-])CCCC3)c(C(=O)N2CCCC2)cc1OC ZINC000436753342 981546524 /nfs/dbraw/zinc/54/65/24/981546524.db2.gz CRAMSGYHGCCTKJ-UHFFFAOYSA-N -1 3 424.497 3.777 20 0 HHADHM CN(C)C(=O)COc1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])cc1 ZINC000436753954 981546604 /nfs/dbraw/zinc/54/66/04/981546604.db2.gz GGWYVSMVPUZURA-UHFFFAOYSA-N -1 3 420.465 3.691 20 0 HHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCN(c2cccc(O)c2)CC1 ZINC000436756032 981547502 /nfs/dbraw/zinc/54/75/02/981547502.db2.gz PONZOWRWMYDDDW-UHFFFAOYSA-N -1 3 402.494 3.845 20 0 HHADHM Cc1cccc(OC(F)F)c1NC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436757984 981548729 /nfs/dbraw/zinc/54/87/29/981548729.db2.gz WYKVBPXDNADQMT-UHFFFAOYSA-N -1 3 419.428 3.728 20 0 HHADHM CC1(C)Cc2ccc(C(=O)Nc3ccc(C(=O)NCC(F)(F)F)cc3)c([O-])c2O1 ZINC000436760865 981550405 /nfs/dbraw/zinc/55/04/05/981550405.db2.gz SYYDXFOXWQUSTE-UHFFFAOYSA-N -1 3 408.376 3.650 20 0 HHADHM Cc1c(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cccc1C(F)(F)F ZINC000436765441 981552420 /nfs/dbraw/zinc/55/24/20/981552420.db2.gz BEGRHMINNPLXPH-UHFFFAOYSA-N -1 3 407.392 3.709 20 0 HHADHM CCCCc1ccc(C(=O)CCC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000436772011 981555076 /nfs/dbraw/zinc/55/50/76/981555076.db2.gz YZOJAXRAMDRBRA-UHFFFAOYSA-N -1 3 422.525 3.682 20 0 HHADHM O=C(Nc1ncc(-c2ccccc2)s1)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436771621 981555141 /nfs/dbraw/zinc/55/51/41/981555141.db2.gz AFRDMAHFNLTQPH-UHFFFAOYSA-N -1 3 422.510 3.942 20 0 HHADHM CSc1ccc(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1Cl ZINC000436779239 981558161 /nfs/dbraw/zinc/55/81/61/981558161.db2.gz WAMIDRRGEQBGSG-UHFFFAOYSA-N -1 3 405.907 3.757 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCOC[C@H]1CC1CCC1 ZINC000436790601 981562757 /nfs/dbraw/zinc/56/27/57/981562757.db2.gz HLIXDSZRKNPVPU-FYYLOGMGSA-N -1 3 422.525 3.671 20 0 HHADHM COc1ccc(C(=O)N2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c([O-])c1 ZINC000436797105 981566200 /nfs/dbraw/zinc/56/62/00/981566200.db2.gz MFYNCYKVNMPWGG-LJQANCHMSA-N -1 3 400.862 3.642 20 0 HHADHM CCc1ccc(C(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)c([O-])c1 ZINC000436797114 981566480 /nfs/dbraw/zinc/56/64/80/981566480.db2.gz MGAJSAYEIKDJMT-UHFFFAOYSA-N -1 3 407.297 3.860 20 0 HHADHM CCc1ccc(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)c([O-])c1 ZINC000436817220 981574722 /nfs/dbraw/zinc/57/47/22/981574722.db2.gz RJLMSNDUWLEAEI-UHFFFAOYSA-N -1 3 407.297 3.860 20 0 HHADHM COc1ccc(F)cc1CNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436824186 981577178 /nfs/dbraw/zinc/57/71/78/981577178.db2.gz FUQPRWDSPHRCMX-NRFANRHFSA-N -1 3 422.456 3.718 20 0 HHADHM Cc1ccc(O)c(NC(=O)c2cc(CN3C(=O)c4ccccc4C3=O)cc(C)c2[O-])c1 ZINC000436825486 981577967 /nfs/dbraw/zinc/57/79/67/981577967.db2.gz LAQZAPBVELZWRA-UHFFFAOYSA-N -1 3 416.433 3.763 20 0 HHADHM CCOc1cc(-c2noc([C@H]3CCn4cncc4C3)n2)cc(Br)c1[O-] ZINC000436826772 981578305 /nfs/dbraw/zinc/57/83/05/981578305.db2.gz QBTROVZYXCMUBV-JTQLQIEISA-N -1 3 405.252 3.530 20 0 HHADHM C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])c1nc(C(C)(C)C)cs1 ZINC000436833995 981581630 /nfs/dbraw/zinc/58/16/30/981581630.db2.gz KXSVLWFYIDYJRV-UKRRQHHQSA-N -1 3 401.532 3.628 20 0 HHADHM CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)c2ccc(CC)cc2[O-])C1 ZINC000436833760 981581636 /nfs/dbraw/zinc/58/16/36/981581636.db2.gz MMSSPGALKFAMIP-HNNXBMFYSA-N -1 3 400.441 3.608 20 0 HHADHM CCc1ccc(C(=O)N2CCOC[C@H]2c2c(C)nn(CC(F)(F)F)c2C)c([O-])c1 ZINC000436836374 981582867 /nfs/dbraw/zinc/58/28/67/981582867.db2.gz DFNJAUPDSCSNGB-INIZCTEOSA-N -1 3 411.424 3.544 20 0 HHADHM O=C(Nc1ccc2[nH]c(C3CCC3)nc2c1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436839816 981585038 /nfs/dbraw/zinc/58/50/38/981585038.db2.gz NFYFPSGAGKDZEH-IBGZPJMESA-N -1 3 404.470 3.779 20 0 HHADHM CCC(C)(C)OCc1cccc(NC(=O)NCCNC(=O)c2ccc([O-])cc2)c1C ZINC000436839489 981585059 /nfs/dbraw/zinc/58/50/59/981585059.db2.gz PMIOKBPMPIUWNQ-UHFFFAOYSA-N -1 3 413.518 3.957 20 0 HHADHM O=C(c1ccccc1[O-])N1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2Cl)CC1 ZINC000436844216 981586766 /nfs/dbraw/zinc/58/67/66/981586766.db2.gz DYYGUPVXSLYBLX-JKSUJKDBSA-N -1 3 419.308 3.787 20 0 HHADHM CC(=O)N1CCC(N(Cc2cncs2)C(=O)c2ccc(C(C)C)cc2[O-])CC1 ZINC000436850282 981589839 /nfs/dbraw/zinc/58/98/39/981589839.db2.gz HCPHPBQSSOBXCM-UHFFFAOYSA-N -1 3 401.532 3.625 20 0 HHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2C[C@@H](c3cccc(C(F)(F)F)c3)OC[C@@H]2C)c1 ZINC000436853172 981592349 /nfs/dbraw/zinc/59/23/49/981592349.db2.gz JSBSVRODGSMJCK-BUXKBTBVSA-N -1 3 422.403 3.972 20 0 HHADHM CC(C)COc1ccc(C(C)(C)C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000436883321 981600745 /nfs/dbraw/zinc/60/07/45/981600745.db2.gz DGYUBYBAUBCDJY-UHFFFAOYSA-N -1 3 424.541 3.689 20 0 HHADHM O=C(c1ccccc1[O-])N1CCN(C(=O)C2(c3cccc(F)c3)CCCCC2)CC1 ZINC000436885558 981601380 /nfs/dbraw/zinc/60/13/80/981601380.db2.gz KEXYGFPFDPTVEA-UHFFFAOYSA-N -1 3 410.489 3.718 20 0 HHADHM COC(=O)CCN(Cc1cccc(Br)c1)C(=O)c1ccc(C)cc1[O-] ZINC000436887738 981601841 /nfs/dbraw/zinc/60/18/41/981601841.db2.gz PDPWCOSSNUWNTQ-UHFFFAOYSA-N -1 3 406.276 3.669 20 0 HHADHM Cc1cc(Br)c(F)cc1NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436892436 981603386 /nfs/dbraw/zinc/60/33/86/981603386.db2.gz LUTBOIWKQAGZRR-MRXNPFEDSA-N -1 3 421.266 3.846 20 0 HHADHM C[C@@H](NC(=O)c1cc(Oc2ccccc2)ccc1[O-])C(=O)N1Cc2ccccc2C1 ZINC000436895254 981604613 /nfs/dbraw/zinc/60/46/13/981604613.db2.gz WEQGZFVBQSCEQN-MRXNPFEDSA-N -1 3 402.450 3.845 20 0 HHADHM COc1ccc(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c(OC)c1 ZINC000436900354 981607098 /nfs/dbraw/zinc/60/70/98/981607098.db2.gz CMGFPGBOEPNXRA-OAQYLSRUSA-N -1 3 420.465 3.909 20 0 HHADHM COc1cc(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cc(OC)c1 ZINC000436901834 981608540 /nfs/dbraw/zinc/60/85/40/981608540.db2.gz ILSKKCBIKRVGMC-JOCHJYFZSA-N -1 3 420.465 3.909 20 0 HHADHM COc1ccccc1CCNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436904899 981611042 /nfs/dbraw/zinc/61/10/42/981611042.db2.gz QZIGETBYCIIWFH-JOCHJYFZSA-N -1 3 418.493 3.621 20 0 HHADHM C[C@@H]1CCCC[C@H]1OCCNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436906842 981612620 /nfs/dbraw/zinc/61/26/20/981612620.db2.gz FFVJNKNUFYYTID-SXSPYAJSSA-N -1 3 424.541 3.965 20 0 HHADHM [O-]c1ccc(Cc2ccccc2)cc1-c1nc(-c2ccnc(N3CCOCC3)c2)no1 ZINC000436909302 981614391 /nfs/dbraw/zinc/61/43/91/981614391.db2.gz YJILNHYNWFMZPJ-UHFFFAOYSA-N -1 3 414.465 3.932 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N(Cc1ccncc1)C1CC1 ZINC000436909263 981614704 /nfs/dbraw/zinc/61/47/04/981614704.db2.gz YEILWBSZZLBHMD-QHCPKHFHSA-N -1 3 415.493 3.840 20 0 HHADHM COCCN(Cc1ccco1)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436909923 981615322 /nfs/dbraw/zinc/61/53/22/981615322.db2.gz BHIAFWSGWQWCNP-QFIPXVFZSA-N -1 3 422.481 3.522 20 0 HHADHM CC(C)c1nnc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)s1 ZINC000436909598 981615376 /nfs/dbraw/zinc/61/53/76/981615376.db2.gz AVMGDPNVRPKMEH-KRWDZBQOSA-N -1 3 410.499 3.867 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCc2ccc(O)cc2C1 ZINC000436910479 981616057 /nfs/dbraw/zinc/61/60/57/981616057.db2.gz OHBMWXWCMNHIKE-QHCPKHFHSA-N -1 3 416.477 3.544 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCc1ccc(F)cc1F ZINC000436912195 981617847 /nfs/dbraw/zinc/61/78/47/981617847.db2.gz GVEXXGGSESJOKP-OAQYLSRUSA-N -1 3 410.420 3.848 20 0 HHADHM O=C(Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)[C@@H]1CCCN1Cc1ccc(F)cc1 ZINC000436914958 981619902 /nfs/dbraw/zinc/61/99/02/981619902.db2.gz LWJZNGYHPDBLGS-INIZCTEOSA-N -1 3 415.856 3.573 20 0 HHADHM O=C(Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)[C@@H]1CCCN1Cc1ccc(F)cc1 ZINC000436914958 981619909 /nfs/dbraw/zinc/61/99/09/981619909.db2.gz LWJZNGYHPDBLGS-INIZCTEOSA-N -1 3 415.856 3.573 20 0 HHADHM COc1cc(Cc2noc(-c3cc4c(cc3[O-])OCO4)n2)ccc1OCC(F)(F)F ZINC000436918133 981622888 /nfs/dbraw/zinc/62/28/88/981622888.db2.gz GPXLFSIMHIKTFX-UHFFFAOYSA-N -1 3 424.331 3.711 20 0 HHADHM CC(C)(C)n1cc(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cn1 ZINC000436919139 981623545 /nfs/dbraw/zinc/62/35/45/981623545.db2.gz BLJDZFKGADKSQQ-HXUWFJFHSA-N -1 3 406.486 3.844 20 0 HHADHM CN(C)c1cccc(CNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC000436921370 981624999 /nfs/dbraw/zinc/62/49/99/981624999.db2.gz JOZOCDSUENCONY-HSZRJFAPSA-N -1 3 417.509 3.636 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@H]1CCc2c1cccc2O ZINC000436922029 981626158 /nfs/dbraw/zinc/62/61/58/981626158.db2.gz LXFMSIICOJNZFI-FCHUYYIVSA-N -1 3 416.477 3.763 20 0 HHADHM C[C@@H](c1ccccn1)N(C)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436924686 981626959 /nfs/dbraw/zinc/62/69/59/981626959.db2.gz YCTILEMOQFMBJV-JTSKRJEESA-N -1 3 403.482 3.868 20 0 HHADHM C[C@H](NC(=O)c1cc(CCc2ccccc2)ccc1[O-])c1nnc2n1CCCCC2 ZINC000436926138 981628493 /nfs/dbraw/zinc/62/84/93/981628493.db2.gz KNAXJPDNZOCQKF-KRWDZBQOSA-N -1 3 404.514 3.986 20 0 HHADHM O=C(Nc1ccc(Cl)cc1-n1cccc1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436928648 981629297 /nfs/dbraw/zinc/62/92/97/981629297.db2.gz BTHQEKJLMAZAQK-UHFFFAOYSA-N -1 3 424.888 3.826 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCc1cc(F)ccc1F ZINC000436932490 981631844 /nfs/dbraw/zinc/63/18/44/981631844.db2.gz NRPWCNQXDXYVJV-NRFANRHFSA-N -1 3 410.420 3.848 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1cccc2[nH]c(=O)oc21 ZINC000436933902 981631854 /nfs/dbraw/zinc/63/18/54/981631854.db2.gz VVIIQQLZJWJNEI-IBGZPJMESA-N -1 3 417.421 3.739 20 0 HHADHM C[C@H](NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1cccc(O)c1 ZINC000436936051 981633270 /nfs/dbraw/zinc/63/32/70/981633270.db2.gz YAXOVCXDVQRQSI-AOMKIAJQSA-N -1 3 404.466 3.836 20 0 HHADHM CN(CCn1cc(Br)cn1)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436937847 981634787 /nfs/dbraw/zinc/63/47/87/981634787.db2.gz JQUAYZZKJGIEKT-UHFFFAOYSA-N -1 3 414.303 3.714 20 0 HHADHM CCOc1ccc(-c2cn(C3CN(C(=O)c4ccc(C(C)C)cc4[O-])C3)nn2)cc1 ZINC000436938273 981634846 /nfs/dbraw/zinc/63/48/46/981634846.db2.gz TVJZHRNBJSDOIK-UHFFFAOYSA-N -1 3 406.486 3.870 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)Nc2cc(F)ccc2OCC(F)(F)F)c([O-])c1 ZINC000436944195 981636864 /nfs/dbraw/zinc/63/68/64/981636864.db2.gz AIWKROMQWMMTHP-UHFFFAOYSA-N -1 3 414.355 3.539 20 0 HHADHM CC(C)CN(C)c1ccc(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436945388 981637729 /nfs/dbraw/zinc/63/77/29/981637729.db2.gz PSHXBDICUOLAOJ-UHFFFAOYSA-N -1 3 409.530 3.519 20 0 HHADHM O=C(CSCc1ccc(Cl)cc1)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436944642 981637739 /nfs/dbraw/zinc/63/77/39/981637739.db2.gz NIVPGOFVINGDRY-UHFFFAOYSA-N -1 3 418.946 3.700 20 0 HHADHM C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436946591 981638461 /nfs/dbraw/zinc/63/84/61/981638461.db2.gz SKKXAVFCAGPTBF-QGZVFWFLSA-N -1 3 424.541 3.878 20 0 HHADHM Cc1nc(-c2ccccc2)c(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)s1 ZINC000436948318 981639134 /nfs/dbraw/zinc/63/91/34/981639134.db2.gz WDGQIUBKAURHCE-UHFFFAOYSA-N -1 3 421.522 3.859 20 0 HHADHM [O-]c1ccc(Cc2ccccc2)cc1-c1nc(-c2cnc(NCC(F)F)cn2)no1 ZINC000436955916 981645088 /nfs/dbraw/zinc/64/50/88/981645088.db2.gz NMFCBMDLPIHXDZ-UHFFFAOYSA-N -1 3 409.396 4.167 20 0 HHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1ccc2cc(Br)ccc2c1 ZINC000448236211 981645337 /nfs/dbraw/zinc/64/53/37/981645337.db2.gz BGTVZRQLCWCOIP-UHFFFAOYSA-N -1 3 408.259 3.959 20 0 HHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1ccc2cc(Br)ccc2c1 ZINC000448236211 981645340 /nfs/dbraw/zinc/64/53/40/981645340.db2.gz BGTVZRQLCWCOIP-UHFFFAOYSA-N -1 3 408.259 3.959 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2C[C@H](c3ccccc3)OC[C@@H]2C)c1 ZINC000436958371 981647442 /nfs/dbraw/zinc/64/74/42/981647442.db2.gz AAZNDCDOFCNLDR-LHSJRXKWSA-N -1 3 421.453 3.543 20 0 HHADHM O=C(C[C@@H](c1cccs1)n1cccc1)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436967087 981653616 /nfs/dbraw/zinc/65/36/16/981653616.db2.gz XBQUPIZSAZFAKM-IBGZPJMESA-N -1 3 423.538 3.656 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H]2c3ccccc3CC[C@@H]2C)c1 ZINC000436970367 981656248 /nfs/dbraw/zinc/65/62/48/981656248.db2.gz DERLUZFTKFDQEI-YEJXKQKISA-N -1 3 405.454 3.994 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NC1Cc2ccccc2C1 ZINC000436970508 981656272 /nfs/dbraw/zinc/65/62/72/981656272.db2.gz MEIIBFXIEVITJJ-QHCPKHFHSA-N -1 3 400.478 3.537 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)[C@H]2Oc3ccccc3[C@H]2C)c1 ZINC000436975696 981660443 /nfs/dbraw/zinc/66/04/43/981660443.db2.gz LYKRSDHGOWIESZ-ZNLKAECVSA-N -1 3 421.453 3.624 20 0 HHADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)c2cccc(OC3CCCCC3)c2)CC1 ZINC000436978439 981662899 /nfs/dbraw/zinc/66/28/99/981662899.db2.gz HVECVUWALSVASR-UHFFFAOYSA-N -1 3 408.498 3.702 20 0 HHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@@H](C)CCc3ccco3)cs2)c1 ZINC000436982320 981666125 /nfs/dbraw/zinc/66/61/25/981666125.db2.gz TYBYMCAREXIRRC-AWEZNQCLSA-N -1 3 413.499 3.682 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)N3CCN(C(=O)c4ccc([O-])cc4)CC3)cc2)cs1 ZINC000436997876 981676000 /nfs/dbraw/zinc/67/60/00/981676000.db2.gz AUDITNRPRWRUQU-UHFFFAOYSA-N -1 3 422.510 3.814 20 0 HHADHM O=C(Nc1ccc(Oc2ccncc2)cc1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000437000186 981677545 /nfs/dbraw/zinc/67/75/45/981677545.db2.gz ODFNAVOFTSJWPM-HXUWFJFHSA-N -1 3 403.438 3.823 20 0 HHADHM Cc1nc(CC(C)C)c(NC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)s1 ZINC000437002851 981679044 /nfs/dbraw/zinc/67/90/44/981679044.db2.gz NJOJGINXSFXAHD-UHFFFAOYSA-N -1 3 416.547 3.782 20 0 HHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCCC(F)(F)F)c2)cc1 ZINC000437098489 981760545 /nfs/dbraw/zinc/76/05/45/981760545.db2.gz XDSWLWSUTVEKNF-UHFFFAOYSA-N -1 3 400.422 3.786 20 0 HHADHM 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ZINC000468000413 985649353 /nfs/dbraw/zinc/64/93/53/985649353.db2.gz NWEQTRQHIDBTKB-UHFFFAOYSA-N -1 3 417.259 3.641 20 0 HHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H](C)Cc2cc(C)cc(C)c2)cc1Cl ZINC000462706192 985650091 /nfs/dbraw/zinc/65/00/91/985650091.db2.gz VRHMZTLQYSZOLQ-CYBMUJFWSA-N -1 3 412.914 3.964 20 0 HHADHM CCC(CC)CS(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)N(C)c1ccccc1 ZINC000462709338 985654522 /nfs/dbraw/zinc/65/45/22/985654522.db2.gz IVOUYFCAIIQLPA-NRFANRHFSA-N -1 3 402.560 3.616 20 0 HHADHM O=S(=O)([N-]CCC[C@H]1CCCC[C@@H]1O)c1cc(Br)ccc1Cl ZINC000443488591 985663693 /nfs/dbraw/zinc/66/36/93/985663693.db2.gz MGHQDPNROGUIJO-RISCZKNCSA-N -1 3 410.761 3.712 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H]1CCOC2(CCCCC2)C1 ZINC000443502315 985674680 /nfs/dbraw/zinc/67/46/80/985674680.db2.gz RKNVQJQNHIOOQY-AWEZNQCLSA-N -1 3 423.556 3.848 20 0 HHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](c1ccc(F)cc1F)C(C)C ZINC000443502754 985675131 /nfs/dbraw/zinc/67/51/31/985675131.db2.gz QESPHAPGPBITGT-QGZVFWFLSA-N -1 3 401.406 3.566 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1Oc1cccc(C)c1 ZINC000443507742 985679010 /nfs/dbraw/zinc/67/90/10/985679010.db2.gz ITVUNYKMBNKISU-MSOLQXFVSA-N -1 3 421.490 3.589 20 0 HHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CN[C@@H](c3ccccc3)C(F)(F)F)cc2)n1 ZINC000468053260 985712075 /nfs/dbraw/zinc/71/20/75/985712075.db2.gz YEEUWGMTNILFDS-IBGZPJMESA-N -1 3 416.403 3.577 20 0 HHADHM CN(Cc1cn(C)nc1C(F)F)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000462938722 985878146 /nfs/dbraw/zinc/87/81/46/985878146.db2.gz DCLARMJOKMYGOL-UHFFFAOYSA-N -1 3 420.485 3.791 20 0 HHADHM CC(C)c1nnc(C[N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)s1 ZINC000443778195 985984718 /nfs/dbraw/zinc/98/47/18/985984718.db2.gz HDGFUDVFYIPZNE-UHFFFAOYSA-N -1 3 410.746 3.556 20 0 HHADHM COCCOc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C)c1Br ZINC000468364360 986062436 /nfs/dbraw/zinc/06/24/36/986062436.db2.gz JSYNHUBSMBOZFK-UHFFFAOYSA-N -1 3 418.284 3.723 20 0 HHADHM CCC[C@@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccc(F)cc1F ZINC000468370504 986069833 /nfs/dbraw/zinc/06/98/33/986069833.db2.gz AENHDKOKZPEKEY-CYBMUJFWSA-N -1 3 422.906 3.616 20 0 HHADHM COc1cc(F)c([N-]C(=O)c2nnn(-c3ccccc3F)c2C(F)(F)F)cc1F ZINC000468381834 986081775 /nfs/dbraw/zinc/08/17/75/986081775.db2.gz GSGXLGKJKAAFKD-UHFFFAOYSA-N -1 3 416.281 3.964 20 0 HHADHM CC(=O)Nc1ccc(F)c(NC(=O)c2c[n-]c3ccc(Br)cc3c2=O)c1 ZINC000443888658 986089697 /nfs/dbraw/zinc/08/96/97/986089697.db2.gz ZZLFSTYPPPCIQV-UHFFFAOYSA-N -1 3 418.222 3.640 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)c1 ZINC000463211700 986183319 /nfs/dbraw/zinc/18/33/19/986183319.db2.gz QMXQUNAEKAPGDJ-UWJYYQICSA-N -1 3 421.453 3.591 20 0 HHADHM CCCCNS(=O)(=O)c1cccc(NC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000468544772 986250367 /nfs/dbraw/zinc/25/03/67/986250367.db2.gz WLHLWYBMICIRHJ-UHFFFAOYSA-N -1 3 408.495 3.571 20 0 HHADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2F)cc1Br ZINC000444055207 986255109 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ZINC000444511506 986704805 /nfs/dbraw/zinc/70/48/05/986704805.db2.gz ZBWIISRDKZUPJZ-UHFFFAOYSA-N -1 3 405.323 3.643 20 0 HHADHM Cc1ccc(CS(=O)(=O)[N-][C@H](C(=O)Nc2ccccc2)c2ccccc2)cc1F ZINC000469053152 986763361 /nfs/dbraw/zinc/76/33/61/986763361.db2.gz UVCWLEJZLLZGAW-NRFANRHFSA-N -1 3 412.486 3.934 20 0 HHADHM Cc1cccc([N-]S(=O)(=O)c2cc3c(cc2Cl)NC(=O)C3)c1Br ZINC000469063506 986776007 /nfs/dbraw/zinc/77/60/07/986776007.db2.gz WFDPITVQCBVZER-UHFFFAOYSA-N -1 3 415.696 3.706 20 0 HHADHM Cc1ccc(CNC(=O)CCCc2ccc([O-])c(F)c2)c(OC[C@H]2CCOC2)c1 ZINC000469111479 986828366 /nfs/dbraw/zinc/82/83/66/986828366.db2.gz WMNYDPOPXKMQRK-SFHVURJKSA-N -1 3 401.478 3.894 20 0 HHADHM CCCc1sc(C(=O)N2CCC(c3n[n-]c(C(=O)OCC)n3)CC2)cc1CC ZINC000444671487 986855518 /nfs/dbraw/zinc/85/55/18/986855518.db2.gz YCLCDQACLUCXQY-UHFFFAOYSA-N -1 3 404.536 3.578 20 0 HHADHM CCCc1sc(C(=O)N2CCC(c3nnc(C(=O)OCC)[n-]3)CC2)cc1CC ZINC000444671487 986855528 /nfs/dbraw/zinc/85/55/28/986855528.db2.gz YCLCDQACLUCXQY-UHFFFAOYSA-N -1 3 404.536 3.578 20 0 HHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(Sc2ccccc2Cl)nn1 ZINC000469183121 986907677 /nfs/dbraw/zinc/90/76/77/986907677.db2.gz QPTSOGMGZGPYMH-UHFFFAOYSA-N -1 3 409.862 3.714 20 0 HHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(Sc2ccccc2Cl)nn1 ZINC000469183121 986907681 /nfs/dbraw/zinc/90/76/81/986907681.db2.gz QPTSOGMGZGPYMH-UHFFFAOYSA-N -1 3 409.862 3.714 20 0 HHADHM CCOC(=O)c1nc(C2CCN(C(=O)CCSc3ccccc3Cl)CC2)n[n-]1 ZINC000444759089 986920534 /nfs/dbraw/zinc/92/05/34/986920534.db2.gz HETBYQVZIPQTII-UHFFFAOYSA-N -1 3 422.938 3.523 20 0 HHADHM CCOC(=O)c1nnc(C2CCN(C(=O)CCSc3ccccc3Cl)CC2)[n-]1 ZINC000444759089 986920547 /nfs/dbraw/zinc/92/05/47/986920547.db2.gz HETBYQVZIPQTII-UHFFFAOYSA-N -1 3 422.938 3.523 20 0 HHADHM CCOC(=O)c1nc(C2CCN(C(=O)c3ccc(Oc4ccccc4)cc3)CC2)n[n-]1 ZINC000444758818 986921026 /nfs/dbraw/zinc/92/10/26/986921026.db2.gz ZWMMWVYBZSMOPE-UHFFFAOYSA-N -1 3 420.469 3.794 20 0 HHADHM CCOC(=O)c1nnc(C2CCN(C(=O)c3ccc(Oc4ccccc4)cc3)CC2)[n-]1 ZINC000444758818 986921036 /nfs/dbraw/zinc/92/10/36/986921036.db2.gz ZWMMWVYBZSMOPE-UHFFFAOYSA-N -1 3 420.469 3.794 20 0 HHADHM CCOC(=O)c1nc(C2CCN(C(=O)[C@@H](Sc3ccccc3)C(C)C)CC2)n[n-]1 ZINC000444762992 986924496 /nfs/dbraw/zinc/92/44/96/986924496.db2.gz SLSQFZQIYMUYMD-KRWDZBQOSA-N -1 3 416.547 3.504 20 0 HHADHM CCOC(=O)c1nnc(C2CCN(C(=O)[C@@H](Sc3ccccc3)C(C)C)CC2)[n-]1 ZINC000444762992 986924504 /nfs/dbraw/zinc/92/45/04/986924504.db2.gz SLSQFZQIYMUYMD-KRWDZBQOSA-N -1 3 416.547 3.504 20 0 HHADHM COC(=O)[C@H]([N-]S(=O)(=O)c1ccccc1C(C)C)c1ccc(OC(F)F)cc1 ZINC000469365362 987062834 /nfs/dbraw/zinc/06/28/34/987062834.db2.gz WFMQAJWJQQUFDU-QGZVFWFLSA-N -1 3 413.442 3.604 20 0 HHADHM CN(C)Cc1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1Br ZINC000469484520 987165903 /nfs/dbraw/zinc/16/59/03/987165903.db2.gz UYJLKRHGCWRLOE-UHFFFAOYSA-N -1 3 400.276 3.605 20 0 HHADHM Cc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3cnc4ccccc4c3)n2)cc1F ZINC000445042149 987171477 /nfs/dbraw/zinc/17/14/77/987171477.db2.gz QCLRPTPSWRWYRC-ZDUSSCGKSA-N -1 3 412.446 3.772 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](C)n3ccc4ccccc4c3=O)c2)n1 ZINC000469569135 987237877 /nfs/dbraw/zinc/23/78/77/987237877.db2.gz QIZVKOIGHMCEFH-OAHLLOKOSA-N -1 3 414.465 3.926 20 0 HHADHM CCOc1nc2cc(C(=O)Nc3cccc(-c4nc(CC)cc(=O)[n-]4)c3)ccc2[nH]1 ZINC000469569500 987238090 /nfs/dbraw/zinc/23/80/90/987238090.db2.gz WHHRDOGRYKMASW-UHFFFAOYSA-N -1 3 403.442 3.939 20 0 HHADHM C[C@@H]1CN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)CC(C)(C)O1 ZINC000469629501 987289903 /nfs/dbraw/zinc/28/99/03/987289903.db2.gz BYKLSIQRWDFHMP-SECBINFHSA-N -1 3 413.699 3.584 20 0 HHADHM C[C@@H]1[C@H](C)SCCN1C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000469708974 987365378 /nfs/dbraw/zinc/36/53/78/987365378.db2.gz BWKUMJOXJUWQPO-BDAKNGLRSA-N -1 3 415.740 3.910 20 0 HHADHM O=S(=O)([N-]c1ccccc1F)c1ccc(-c2nc([C@@H]3CCCOC3)no2)cc1 ZINC000445519555 987576254 /nfs/dbraw/zinc/57/62/54/987576254.db2.gz HNFHMLFEFTWQRV-CQSZACIVSA-N -1 3 403.435 3.571 20 0 HHADHM O=S(=O)([N-]c1ccccc1F)c1cccc(-c2nc([C@@H]3CCCOC3)no2)c1 ZINC000445527772 987582008 /nfs/dbraw/zinc/58/20/08/987582008.db2.gz HQTCVJJEYSHJRB-CQSZACIVSA-N -1 3 403.435 3.571 20 0 HHADHM CCO[C@@H](CCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)C(C)C ZINC000470004868 987617353 /nfs/dbraw/zinc/61/73/53/987617353.db2.gz AMRBIRZUDAFNDG-FQEVSTJZSA-N -1 3 422.522 3.808 20 0 HHADHM CSc1cccnc1-c1noc(-c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)n1 ZINC000445613096 987683427 /nfs/dbraw/zinc/68/34/27/987683427.db2.gz MOVUJXPRGLQVRX-UHFFFAOYSA-N -1 3 422.507 3.736 20 0 HHADHM CSc1cccnc1-c1noc([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000445621749 987693340 /nfs/dbraw/zinc/69/33/40/987693340.db2.gz SUVNRSYFXWSFPI-JTQLQIEISA-N -1 3 410.908 3.546 20 0 HHADHM CCOc1cccc2[nH]cc(Cc3noc(CCNC(=O)c4ccc(C)cc4[O-])n3)c21 ZINC000445773371 987836307 /nfs/dbraw/zinc/83/63/07/987836307.db2.gz NFYWGJFVEZWROB-UHFFFAOYSA-N -1 3 420.469 3.527 20 0 HHADHM Cc1ccc(C(F)(F)F)cc1NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000470230609 988164422 /nfs/dbraw/zinc/16/44/22/988164422.db2.gz NKSRALPKGXEXBA-UHFFFAOYSA-N -1 3 412.842 3.646 20 0 HHADHM Cc1ccc(C[N-]S(=O)(=O)c2c(F)cccc2Cl)c(OC[C@@H]2CCOC2)c1 ZINC000464214004 988330804 /nfs/dbraw/zinc/33/08/04/988330804.db2.gz YHLSLKOSUHVALW-CQSZACIVSA-N -1 3 413.898 3.681 20 0 HHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000464226745 988341493 /nfs/dbraw/zinc/34/14/93/988341493.db2.gz ASBLYSVJZWUQDH-JLTOFOAXSA-N -1 3 406.461 3.844 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3nc(C)c(C)nc3C)cc2)cc1 ZINC000464312661 988442331 /nfs/dbraw/zinc/44/23/31/988442331.db2.gz KDYIIZXZJYUWPY-UHFFFAOYSA-N -1 3 410.499 3.763 20 0 HHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000470550940 988562277 /nfs/dbraw/zinc/56/22/77/988562277.db2.gz GAHWMQSEASLNMR-LBPRGKRZSA-N -1 3 420.252 3.562 20 0 HHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H](C)c1ccc2c(c1)NC(=O)CO2 ZINC000470558670 988574732 /nfs/dbraw/zinc/57/47/32/988574732.db2.gz JAZRBHADFLVKBD-NSHDSACASA-N -1 3 420.874 3.765 20 0 HHADHM CN1CCC[C@H](C[N-]S(=O)(=O)c2c(F)cccc2Cl)[C@@H]1c1cccs1 ZINC000464416647 988587397 /nfs/dbraw/zinc/58/73/97/988587397.db2.gz DBEGXPQFFIDSKM-MLGOLLRUSA-N -1 3 402.944 3.902 20 0 HHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C1CCN(C(=O)CC(C)C)CC1 ZINC000470609707 988628707 /nfs/dbraw/zinc/62/87/07/988628707.db2.gz XDZYKGAZGBSPFA-UHFFFAOYSA-N -1 3 412.939 3.710 20 0 HHADHM O=S(=O)([N-]Cc1nnc(-c2ccccc2)s1)c1ccc(F)cc1C(F)(F)F ZINC000470612980 988630990 /nfs/dbraw/zinc/63/09/90/988630990.db2.gz MWFKLVYGLCHBOH-UHFFFAOYSA-N -1 3 417.409 3.842 20 0 HHADHM CC[C@@]1(C)CCCN(C(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000464579663 988757560 /nfs/dbraw/zinc/75/75/60/988757560.db2.gz COCXQZMXFYQKJK-KRWDZBQOSA-N -1 3 407.363 3.701 20 0 HHADHM COC(=O)c1ccc(C(=O)[N-]c2ncc(Cl)cc2C(=O)Cc2cccc(F)c2)o1 ZINC000464700339 988910800 /nfs/dbraw/zinc/91/08/00/988910800.db2.gz CTZJIZCVKSPTKG-UHFFFAOYSA-N -1 3 416.792 3.931 20 0 HHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CC[C@@H](C(F)(F)F)[C@H]3C)nc(=O)c2c1C ZINC000470932805 989002185 /nfs/dbraw/zinc/00/21/85/989002185.db2.gz QRSSNEZBRMGMAJ-OUAUKWLOSA-N -1 3 417.453 3.803 20 0 HHADHM COC(=O)c1sc2[n-]c(CN3CC[C@@H](C)C[C@@H]3c3ccc(C)o3)nc(=O)c2c1C ZINC000464835420 989078280 /nfs/dbraw/zinc/07/82/80/989078280.db2.gz INTDSNCYOYLLDT-BXUZGUMPSA-N -1 3 415.515 3.954 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N1C[C@H]2CCC[C@@H]2C1 ZINC000465089422 989412001 /nfs/dbraw/zinc/41/20/01/989412001.db2.gz IJFAEJVGVOMBJD-HZPDHXFCSA-N -1 3 402.491 3.807 20 0 HHADHM Cc1cc(I)cnc1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000471279086 989432342 /nfs/dbraw/zinc/43/23/42/989432342.db2.gz TUAZDNMMVHDYHG-UHFFFAOYSA-N -1 3 414.218 3.801 20 0 HHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)c1cccc2cnccc21 ZINC000465131381 989462423 /nfs/dbraw/zinc/46/24/23/989462423.db2.gz PKYQZFCWLHZBIV-UHFFFAOYSA-N -1 3 409.389 3.877 20 0 HHADHM O=S(=O)([N-]C[C@@H]1CCCS1)c1ccc(Br)cc1C(F)(F)F ZINC000465499651 989849171 /nfs/dbraw/zinc/84/91/71/989849171.db2.gz YJCMKOZSXDTKLN-VIFPVBQESA-N -1 3 404.273 3.642 20 0 HHADHM C[C@H]([N-]S(=O)(=O)c1cccc(Br)c1)c1noc(-c2ccccc2)n1 ZINC000471875895 990047995 /nfs/dbraw/zinc/04/79/95/990047995.db2.gz KFKDIUBFQCSMEE-NSHDSACASA-N -1 3 408.277 3.539 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)Nc2cccc3ccn(C)c32)cc1OC ZINC000471983792 990150356 /nfs/dbraw/zinc/15/03/56/990150356.db2.gz KFVDDAATOZEJCN-UHFFFAOYSA-N -1 3 402.476 3.593 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CC[C@H](C)[C@H]1c1cccc(F)c1 ZINC000472043524 990212220 /nfs/dbraw/zinc/21/22/20/990212220.db2.gz VAUJWKYPYYPRQE-NYHFZMIOSA-N -1 3 420.488 3.822 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CC[C@H](C)[C@@H]1c1cccc(F)c1 ZINC000472043525 990212595 /nfs/dbraw/zinc/21/25/95/990212595.db2.gz VAUJWKYPYYPRQE-OYHNWAKOSA-N -1 3 420.488 3.822 20 0 HHADHM COC(=O)[C@H](c1ccccc1C)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000466214186 991424043 /nfs/dbraw/zinc/42/40/43/991424043.db2.gz AVXJDGLUCVRINW-FQEVSTJZSA-N -1 3 416.905 3.919 20 0 HHADHM COC(=O)c1cc(C)nc2nc(SC[C@@H]3CCC4(CCCCC4)O3)[n-]c(=O)c12 ZINC000466454340 991745265 /nfs/dbraw/zinc/74/52/65/991745265.db2.gz IXSJUTGZSRYTGL-ZDUSSCGKSA-N -1 3 403.504 3.799 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@H]2CCCc3sccc32)cc1OC ZINC000466457311 991748056 /nfs/dbraw/zinc/74/80/56/991748056.db2.gz RXIYMOCHENWCTH-AWEZNQCLSA-N -1 3 409.533 3.717 20 0 HHADHM O=S(=O)([N-]Cc1cc2cc(Br)ccc2[nH]1)c1cc(F)c(F)c(F)c1 ZINC000466518844 991809201 /nfs/dbraw/zinc/80/92/01/991809201.db2.gz LSLTYLJCUDIRCG-UHFFFAOYSA-N -1 3 419.222 3.826 20 0 HHADHM C[C@@]1(C[N-]S(=O)(=O)c2cc(Br)ccc2Cl)CCO[C@@H]1C1CC1 ZINC000466557421 991870882 /nfs/dbraw/zinc/87/08/82/991870882.db2.gz VWHYIJAPYCOQRI-CABCVRRESA-N -1 3 408.745 3.586 20 0 HHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1C ZINC000467101082 992408069 /nfs/dbraw/zinc/40/80/69/992408069.db2.gz LXYPZZNLOIHAMF-UHFFFAOYSA-N -1 3 414.531 3.645 20 0 HHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCN(c3ncccc3Cl)C2)c1Cl ZINC000467119000 992432963 /nfs/dbraw/zinc/43/29/63/992432963.db2.gz PZPUUPLOLORACU-NSHDSACASA-N -1 3 420.749 3.907 20 0 HHADHM CC[C@H](Cc1ccccc1Br)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000467296208 992622182 /nfs/dbraw/zinc/62/21/82/992622182.db2.gz AEVXUYRXLSDYFY-GFCCVEGCSA-N -1 3 400.280 3.837 20 0 HHADHM CC[C@H](Cc1ccccc1Br)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000467296208 992622185 /nfs/dbraw/zinc/62/21/85/992622185.db2.gz AEVXUYRXLSDYFY-GFCCVEGCSA-N -1 3 400.280 3.837 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC[C@H]3C)cc2C)cc1C(N)=O ZINC000467428025 992727154 /nfs/dbraw/zinc/72/71/54/992727154.db2.gz IKHQGJAORQSWQT-MRXNPFEDSA-N -1 3 401.532 3.582 20 0 HHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C1CCN(c2cccc(C)n2)CC1 ZINC000472298237 993311384 /nfs/dbraw/zinc/31/13/84/993311384.db2.gz JBBLASVQMYUNRO-UHFFFAOYSA-N -1 3 403.479 3.531 20 0 HHADHM CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000472341823 993347900 /nfs/dbraw/zinc/34/79/00/993347900.db2.gz AJRJXNGYIMZTOM-CABCVRRESA-N -1 3 414.531 3.878 20 0 HHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C(C)(C)c1nc2ccccc2n1C ZINC000472597677 993554684 /nfs/dbraw/zinc/55/46/84/993554684.db2.gz PJXPXONZNXPVCM-UHFFFAOYSA-N -1 3 401.463 3.981 20 0 HHADHM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(CC(F)(F)F)cc1)c1ccc(C)c(C)c1 ZINC000480721273 993588649 /nfs/dbraw/zinc/58/86/49/993588649.db2.gz LRHQNGNUWFIASH-KRWDZBQOSA-N -1 3 415.433 3.601 20 0 HHADHM O=S(=O)([N-][C@@H](CO)c1ccsc1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000472698246 993619589 /nfs/dbraw/zinc/61/95/89/993619589.db2.gz JYANTCUGWGEAQM-ZDUSSCGKSA-N -1 3 400.934 3.537 20 0 HHADHM C[C@@H](O)[C@](C)(C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)Cc1ccccc1 ZINC000480775316 993640942 /nfs/dbraw/zinc/64/09/42/993640942.db2.gz OVTNARDHEFZVLP-ACJLOTCBSA-N -1 3 419.440 3.753 20 0 HHADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@H](C)c2oc3ccccc3c2C)s1 ZINC000480848167 993721679 /nfs/dbraw/zinc/72/16/79/993721679.db2.gz RJLAADFBAIGWAI-LLVKDONJSA-N -1 3 409.485 3.637 20 0 HHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)C(=O)N2Cc3ccccc3C2)c1Cl ZINC000480948390 993791923 /nfs/dbraw/zinc/79/19/23/993791923.db2.gz BPCWOGODQDHPEH-LBPRGKRZSA-N -1 3 413.326 3.511 20 0 HHADHM COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000473075068 993993210 /nfs/dbraw/zinc/99/32/10/993993210.db2.gz FTGFDZHVOWJGJB-HIFRSBDPSA-N -1 3 406.276 3.592 20 0 HHADHM CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)c1 ZINC000473413824 994265886 /nfs/dbraw/zinc/26/58/86/994265886.db2.gz YBNXMASAVNPCLU-UHFFFAOYSA-N -1 3 411.669 3.946 20 0 HHADHM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3cc(-n4cccn4)ccc3C)cc2F)c1 ZINC000473433493 994283873 /nfs/dbraw/zinc/28/38/73/994283873.db2.gz ACUVGQXWEYUSHT-UHFFFAOYSA-N -1 3 411.462 3.615 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-][C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)c(F)c1 ZINC000481460817 994295756 /nfs/dbraw/zinc/29/57/56/994295756.db2.gz CHZXEWYKWCCDTK-AWEZNQCLSA-N -1 3 411.804 3.818 20 0 HHADHM O=S(=O)(Cc1cccc2cccnc21)[N-][C@H](CO)c1c(Cl)cccc1Cl ZINC000481489707 994322455 /nfs/dbraw/zinc/32/24/55/994322455.db2.gz FQOVOGNIAILMMX-MRXNPFEDSA-N -1 3 411.310 3.695 20 0 HHADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]C1CC(F)(c2cccc(Cl)c2)C1 ZINC000481588124 994432614 /nfs/dbraw/zinc/43/26/14/994432614.db2.gz NDJTVRZPXSEZOY-UHFFFAOYSA-N -1 3 417.911 3.802 20 0 HHADHM O=S(=O)([N-]CCc1c[nH]c2ccc(F)cc12)c1cc(F)ccc1Br ZINC000481606216 994457093 /nfs/dbraw/zinc/45/70/93/994457093.db2.gz HRTUUXUNMRPLDK-UHFFFAOYSA-N -1 3 415.259 3.730 20 0 HHADHM O=C(CSCC(=O)Nc1ccc([O-])c(C(F)(F)F)c1)Nc1ccc(F)cc1 ZINC000473590933 994466958 /nfs/dbraw/zinc/46/69/58/994466958.db2.gz WWUPFGVCQQQVLH-UHFFFAOYSA-N -1 3 402.369 3.861 20 0 HHADHM O=C(NCc1ncccc1[O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cccc(Cl)c1 ZINC000473634833 994515387 /nfs/dbraw/zinc/51/53/87/994515387.db2.gz ZOTGTSCZUPWTAE-CCKFTAQKSA-N -1 3 413.905 3.530 20 0 HHADHM COc1ccc(-c2nn(-c3ccccc3)cc2CC(=O)NCc2ncccc2[O-])cc1 ZINC000473635288 994516443 /nfs/dbraw/zinc/51/64/43/994516443.db2.gz IGSSWMVMGYWBNU-UHFFFAOYSA-N -1 3 414.465 3.507 20 0 HHADHM COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NCc2ncccc2[O-])cc1 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O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000485092859 997467863 /nfs/dbraw/zinc/46/78/63/997467863.db2.gz IPWGTYDDTWRQGF-HUUCEWRRSA-N -1 3 402.410 3.731 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)CCCC(=O)c2ccc(C)cc2)cc1OC ZINC000485118626 997503072 /nfs/dbraw/zinc/50/30/72/997503072.db2.gz RXYIOIXXRDAPKV-UHFFFAOYSA-N -1 3 418.515 3.757 20 0 HHADHM COC(=O)c1c(F)ccc([N-]C(=O)c2nc(C(C)C)n(-c3ccccc3F)n2)c1F ZINC000485185063 997563839 /nfs/dbraw/zinc/56/38/39/997563839.db2.gz PSKRPCCLEHYGGC-UHFFFAOYSA-N -1 3 418.375 3.847 20 0 HHADHM COc1cccc(N2CC[C@H]([N-]S(=O)(=O)c3cccc(Cl)c3Cl)C2)c1 ZINC000476961117 997576888 /nfs/dbraw/zinc/57/68/88/997576888.db2.gz YOSMQKCXLOUJMC-LBPRGKRZSA-N -1 3 401.315 3.559 20 0 HHADHM O=C(c1ccccc1Nc1ccc(OC(F)F)cc1)N1CCc2nc[n-]c(=O)c2C1 ZINC000476963222 997579275 /nfs/dbraw/zinc/57/92/75/997579275.db2.gz NEFZRIMUPPKQIN-UHFFFAOYSA-N -1 3 412.396 3.726 20 0 HHADHM CC(C)(C)n1cc(C(=O)N2CCc3nc[n-]c(=O)c3C2)c(-c2ccccc2Cl)n1 ZINC000476964865 997581977 /nfs/dbraw/zinc/58/19/77/997581977.db2.gz GVYUYUZNLHKEBU-UHFFFAOYSA-N -1 3 411.893 3.653 20 0 HHADHM CCc1c(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)cnn1-c1ccc(Cl)cc1 ZINC000485336086 997752365 /nfs/dbraw/zinc/75/23/65/997752365.db2.gz DYSZMTKNVLDHET-UHFFFAOYSA-N -1 3 413.791 3.547 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)N(C)Cc3nc4ccccc4n3C)cc2)cc(=O)[n-]1 ZINC000477130376 997785833 /nfs/dbraw/zinc/78/58/33/997785833.db2.gz YUEDONMYCIYSNH-UHFFFAOYSA-N -1 3 402.458 3.708 20 0 HHADHM O=c1[n-]c(-c2ccc(S(=O)(=O)NC3CC3)cc2)nc2cc(Cl)c(Cl)cc12 ZINC000485373012 997799519 /nfs/dbraw/zinc/79/95/19/997799519.db2.gz MWISKLSAEOOZHQ-UHFFFAOYSA-N -1 3 410.282 3.750 20 0 HHADHM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccc(CS(=O)(=O)C(C)(C)C)cc1 ZINC000485392355 997820009 /nfs/dbraw/zinc/82/00/09/997820009.db2.gz UKXIDJVBSGIBTG-UHFFFAOYSA-N -1 3 413.536 3.957 20 0 HHADHM CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000477185443 997855399 /nfs/dbraw/zinc/85/53/99/997855399.db2.gz IRIANDGSGHMNJF-UHFFFAOYSA-N -1 3 407.389 3.783 20 0 HHADHM CCCCc1nc(NC(=O)c2cc(NC(C)=O)ccc2Cl)c(C(=O)OCC)[n-]1 ZINC000485664747 998117701 /nfs/dbraw/zinc/11/77/01/998117701.db2.gz COJHDKALHXJVQE-UHFFFAOYSA-N -1 3 406.870 3.793 20 0 HHADHM Cc1csc(Nc2ccc(C(=O)Nc3ccccc3[N-]S(C)(=O)=O)cc2)n1 ZINC000485687550 998147119 /nfs/dbraw/zinc/14/71/19/998147119.db2.gz WQDBXJIJEVAGRJ-UHFFFAOYSA-N -1 3 402.501 3.819 20 0 HHADHM Cc1ccc(NC(=O)[C@@H]2CCCc3nccn32)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000485817628 998285000 /nfs/dbraw/zinc/28/50/00/998285000.db2.gz GFAHVVKHQFVORW-SFHVURJKSA-N -1 3 410.499 3.508 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCc2c[nH]c3cc(F)ccc23)s1 ZINC000485878106 998334556 /nfs/dbraw/zinc/33/45/56/998334556.db2.gz UKPHVJALIQSRKV-UHFFFAOYSA-N -1 3 417.325 3.960 20 0 HHADHM COc1cc(C)cnc1C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000486034070 998482270 /nfs/dbraw/zinc/48/22/70/998482270.db2.gz CGIUVKAJJBGRFO-UHFFFAOYSA-N -1 3 411.483 3.760 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CC(C)(C)c2c1cccc2Cl ZINC000477819924 998574468 /nfs/dbraw/zinc/57/44/68/998574468.db2.gz GWAHTDHCPIBGBL-UHFFFAOYSA-N -1 3 408.889 3.661 20 0 HHADHM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1nc(Cc2cccc(Br)c2)no1 ZINC000477827665 998583133 /nfs/dbraw/zinc/58/31/33/998583133.db2.gz GLRYKJSWHZOGMC-KBMXLJTQSA-N -1 3 420.307 3.641 20 0 HHADHM CN(C)S(=O)(=O)c1ccsc1C(=O)[N-]c1nc2c(cccc2Cl)s1 ZINC000486187561 998630045 /nfs/dbraw/zinc/63/00/45/998630045.db2.gz DUSGLNSVGWEXCD-UHFFFAOYSA-N -1 3 401.922 3.514 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCO[C@H](c2cccc(F)c2)C1 ZINC000486426385 998761473 /nfs/dbraw/zinc/76/14/73/998761473.db2.gz UYAZKGAIPWTVRV-KRWDZBQOSA-N -1 3 409.255 3.577 20 0 HHADHM CCc1c(C(=O)[N-]c2nnc(/C=C\c3ccco3)s2)nnn1Cc1ccc(F)cc1 ZINC000486455099 998777640 /nfs/dbraw/zinc/77/76/40/998777640.db2.gz AZYXWLYJCCWRCH-KTKRTIGZSA-N -1 3 424.461 3.895 20 0 HHADHM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2cc(F)cc(Br)c2F)cc1 ZINC000486555406 998823485 /nfs/dbraw/zinc/82/34/85/998823485.db2.gz CRXUDFDAHRKKHO-UHFFFAOYSA-N -1 3 419.247 3.511 20 0 HHADHM CSc1c(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)cnn1C ZINC000478247469 998844040 /nfs/dbraw/zinc/84/40/40/998844040.db2.gz BKOCROKUWYNTCF-UHFFFAOYSA-N -1 3 416.528 3.504 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)N(Cc1ccc(O)cc1)CC1CC1 ZINC000486647818 998874402 /nfs/dbraw/zinc/87/44/02/998874402.db2.gz WYHNXPIHBPWAJN-UHFFFAOYSA-N -1 3 405.292 3.982 20 0 HHADHM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cc(-n3nnnc3C3CC3)ccc2F)cc1 ZINC000486749785 998921704 /nfs/dbraw/zinc/92/17/04/998921704.db2.gz SNAOSNLTFVKWEV-UHFFFAOYSA-N -1 3 415.494 3.777 20 0 HHADHM Cc1ccc(NC(=O)Cc2cccnc2C)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000478386414 998930889 /nfs/dbraw/zinc/93/08/89/998930889.db2.gz QKZIMJWXYGWUCP-UHFFFAOYSA-N -1 3 413.474 3.820 20 0 HHADHM O=S(=O)([N-]Cc1ccnc(Oc2ccccc2F)c1)c1cc(F)c(F)c(F)c1 ZINC000486859698 998978009 /nfs/dbraw/zinc/97/80/09/998978009.db2.gz RYWCQVXGEJJIAG-UHFFFAOYSA-N -1 3 412.364 3.909 20 0 HHADHM Cc1ccc(I)cc1NC(=O)c1c[n-]c2ccccc2c1=O ZINC000478651997 999066008 /nfs/dbraw/zinc/06/60/08/999066008.db2.gz MKMHVQUHTBPGOW-UHFFFAOYSA-N -1 3 404.207 3.693 20 0 HHADHM C[C@H](Cc1ccncc1)[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000487142025 999079212 /nfs/dbraw/zinc/07/92/12/999079212.db2.gz TUAOAZBSPIJWSK-SNVBAGLBSA-N -1 3 423.254 3.772 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(OC)c(OC)cc2C)cc1Br ZINC000487302970 999128925 /nfs/dbraw/zinc/12/89/25/999128925.db2.gz WXUFEMJHPNRCCF-UHFFFAOYSA-N -1 3 416.293 3.584 20 0 HHADHM Cc1cc(Br)cc(NC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)c1 ZINC000487394107 999158931 /nfs/dbraw/zinc/15/89/31/999158931.db2.gz IUXRCDFQBYNFGY-UHFFFAOYSA-N -1 3 413.275 3.805 20 0 HHADHM C[C@@H]1Cc2ccccc2N1Cc1occc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000487717151 999263709 /nfs/dbraw/zinc/26/37/09/999263709.db2.gz RZVPJFXBZYDMNA-CQSZACIVSA-N -1 3 400.442 3.663 20 0 HHADHM C[C@@H]1Cc2ccccc2N1Cc1occc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000487717151 999263713 /nfs/dbraw/zinc/26/37/13/999263713.db2.gz RZVPJFXBZYDMNA-CQSZACIVSA-N -1 3 400.442 3.663 20 0 HHADHM CN1CCN(c2ccc(Cl)cc2[N-]S(=O)(=O)c2ccc3ncsc3c2)CC1 ZINC000479078077 999283684 /nfs/dbraw/zinc/28/36/84/999283684.db2.gz IMIKBHRMKNPMHE-UHFFFAOYSA-N -1 3 422.963 3.502 20 0 HHADHM Cc1ccc(-c2nc(NC(=O)CCC(=O)CCC(=O)c3ccc(C)s3)n[n-]2)o1 ZINC000479465194 999429356 /nfs/dbraw/zinc/42/93/56/999429356.db2.gz JZIHZBFAWDKHAP-UHFFFAOYSA-N -1 3 400.460 3.694 20 0 HHADHM Cc1ccc(-c2nc(NC(=O)[C@@H]3CCCN(c4ncccc4C(F)(F)F)C3)n[n-]2)o1 ZINC000479468215 999430020 /nfs/dbraw/zinc/43/00/20/999430020.db2.gz AIRWIKXPPVFLFM-GFCCVEGCSA-N -1 3 420.395 3.642 20 0 HHADHM Cc1cnn(-c2ccc(C)cc2[N-]S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)c1 ZINC000479486413 999439213 /nfs/dbraw/zinc/43/92/13/999439213.db2.gz FRFSHSIJOPFNJV-KKSFZXQISA-N -1 3 401.532 3.626 20 0 HHADHM COCCOCCS(=O)(=O)[N-]c1cccc(Oc2cccc(C(F)(F)F)c2)c1 ZINC000488326381 999441513 /nfs/dbraw/zinc/44/15/13/999441513.db2.gz DFBPMTOYYXFEON-UHFFFAOYSA-N -1 3 419.421 3.902 20 0 HHADHM COc1ccccc1OC[C@@H](C)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000479501893 999447236 /nfs/dbraw/zinc/44/72/36/999447236.db2.gz SKSQLHUYUIDYOY-NSHDSACASA-N -1 3 420.350 3.513 20 0 HHADHM COc1cc([N-]S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)ccc1Br ZINC000479514210 999453777 /nfs/dbraw/zinc/45/37/77/999453777.db2.gz VTHZIHWHXBYUEX-GTNSWQLSSA-N -1 3 416.337 3.595 20 0 HHADHM NC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc3cc(Br)ccc3c2)c1 ZINC000479515089 999454424 /nfs/dbraw/zinc/45/44/24/999454424.db2.gz RNKLGXLTSVNQRX-UHFFFAOYSA-N -1 3 423.263 3.641 20 0 HHADHM COc1cc(Br)cc([N-]S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)c1 ZINC000479516764 999455425 /nfs/dbraw/zinc/45/54/25/999455425.db2.gz LKSZVMGKNYBTMB-GTNSWQLSSA-N -1 3 416.337 3.595 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NCc2ccc(C3CC3)cc2)cc1OC ZINC000479565028 999479848 /nfs/dbraw/zinc/47/98/48/999479848.db2.gz IPZPUFFSAQTGLR-UHFFFAOYSA-N -1 3 403.504 3.656 20 0 HHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3nc4cccnc4[nH]3)c2)cc1 ZINC000479628357 999508392 /nfs/dbraw/zinc/50/83/92/999508392.db2.gz JPKQRHBDRHQMGM-UHFFFAOYSA-N -1 3 421.482 3.628 20 0 HHADHM C[C@H](O)[C@@](C)(CNC(=O)NCc1ccc([O-])c(Br)c1)Cc1ccccc1 ZINC000479688901 999538316 /nfs/dbraw/zinc/53/83/16/999538316.db2.gz QLNYMHWQCQKFKK-VBKZILBWSA-N -1 3 421.335 3.584 20 0 HHADHM CC[C@H](C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)N(C)C ZINC000479711232 999550186 /nfs/dbraw/zinc/55/01/86/999550186.db2.gz IBEUHMXEJMAOCL-QGZVFWFLSA-N -1 3 409.939 3.728 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccc2c(c1)NC(=O)CCS2 ZINC000488656348 999561131 /nfs/dbraw/zinc/56/11/31/999561131.db2.gz DQGSEDULSWSNNZ-UHFFFAOYSA-N -1 3 407.289 3.519 20 0 HHADHM CN(CC(=O)NCc1ccc([O-])c(Br)c1)c1nc2ccccc2s1 ZINC000488660997 999562649 /nfs/dbraw/zinc/56/26/49/999562649.db2.gz QEEKBAOLOXUGGZ-UHFFFAOYSA-N -1 3 406.305 3.517 20 0 HHADHM Cc1noc2nc(C3CC3)cc(C(=O)NCc3ccc([O-])c(Br)c3)c12 ZINC000488677802 999568685 /nfs/dbraw/zinc/56/86/85/999568685.db2.gz SWAVOCINDKGLFQ-UHFFFAOYSA-N -1 3 402.248 3.807 20 0 HHADHM C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000488678459 999569104 /nfs/dbraw/zinc/56/91/04/999569104.db2.gz RULHWRSUSNJQJZ-XHDPSFHLSA-N -1 3 403.276 3.679 20 0 HHADHM Cc1cc(C(=O)NCc2ccc([O-])c(Br)c2)c2cnn(C(C)C)c2n1 ZINC000488678998 999569328 /nfs/dbraw/zinc/56/93/28/999569328.db2.gz UFIZJOBPXUYGGR-UHFFFAOYSA-N -1 3 403.280 3.719 20 0 HHADHM O=S(=O)([N-]Cc1ccc(OCC2CC2)nc1)c1cc(C(F)(F)F)ccc1F ZINC000488764884 999600659 /nfs/dbraw/zinc/60/06/59/999600659.db2.gz VCAZOWBPFGULTF-UHFFFAOYSA-N -1 3 404.385 3.507 20 0 HHADHM O=C(NC[C@H](CO)Cc1ccc(OC(F)(F)F)cc1)c1cc([O-])ccc1Cl ZINC000479807254 999604042 /nfs/dbraw/zinc/60/40/42/999604042.db2.gz FSBZOODNXMXESK-GFCCVEGCSA-N -1 3 403.784 3.525 20 0 HHADHM Cc1cc(C)n(-c2ccc(CC[N-]S(=O)(=O)c3cc(F)ccc3Cl)cc2)n1 ZINC000488884984 999636454 /nfs/dbraw/zinc/63/64/54/999636454.db2.gz KPPJYHICOOZNLJ-UHFFFAOYSA-N -1 3 407.898 3.803 20 0 HHADHM CCC(CC)C(=O)N1CCC([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)CC1 ZINC000488889978 999637903 /nfs/dbraw/zinc/63/79/03/999637903.db2.gz LDDGPLLCQLAMAD-UHFFFAOYSA-N -1 3 424.460 3.550 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000479939320 999655809 /nfs/dbraw/zinc/65/58/09/999655809.db2.gz KBCUYLOCVNXZPM-UHFFFAOYSA-N -1 3 402.336 3.953 20 0 HHADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@@H](CC2CCC2)c2ccccc2)s1 ZINC000479955346 999662107 /nfs/dbraw/zinc/66/21/07/999662107.db2.gz FODOZAMKEIBESO-HNNXBMFYSA-N -1 3 409.529 3.753 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1nnc(-c2ccccc2)s1 ZINC000479968322 999668108 /nfs/dbraw/zinc/66/81/08/999668108.db2.gz RLFGFYCRPDDGEP-UHFFFAOYSA-N -1 3 405.277 3.995 20 0 HHADHM Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC000479979525 999671973 /nfs/dbraw/zinc/67/19/73/999671973.db2.gz MHBDKYIKKPALLM-JTQLQIEISA-N -1 3 411.396 3.688 20 0 HHADHM O=C1CCc2cc([N-]S(=O)(=O)c3ccc(F)cc3C(F)(F)F)c(F)cc2N1 ZINC000489018507 999673702 /nfs/dbraw/zinc/67/37/02/999673702.db2.gz USTIWHHEJOKVTN-UHFFFAOYSA-N -1 3 406.332 3.669 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)C[C@H]3C=CCCC3)c2)cc1 ZINC000489049381 999682689 /nfs/dbraw/zinc/68/26/89/999682689.db2.gz YWPVRYXVLVAUHA-KRWDZBQOSA-N -1 3 414.527 3.859 20 0 HHADHM Cc1c(Br)cccc1S(=O)(=O)[N-]c1cc2c(cc1F)NC(=O)CC2 ZINC000489051183 999683320 /nfs/dbraw/zinc/68/33/20/999683320.db2.gz XVWDVMKUIZVJPQ-UHFFFAOYSA-N -1 3 413.268 3.582 20 0 HHADHM O=S(=O)([N-]CCc1nc2ccccc2s1)c1cccc(OC(F)(F)F)c1F ZINC000489064866 999687509 /nfs/dbraw/zinc/68/75/09/999687509.db2.gz ZKCLPEGCDKFWFK-UHFFFAOYSA-N -1 3 420.409 3.855 20 0 HHADHM O=S(=O)([N-]Cc1cc(-c2ccccc2)no1)c1cccc(OC(F)(F)F)c1F ZINC000489111979 999702364 /nfs/dbraw/zinc/70/23/64/999702364.db2.gz BVCNYSVBCYUVKZ-UHFFFAOYSA-N -1 3 416.352 3.858 20 0 HHADHM CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000489146890 999711481 /nfs/dbraw/zinc/71/14/81/999711481.db2.gz HTWJCEUYEOTLBN-HNNXBMFYSA-N -1 3 412.534 3.614 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)cc1Br ZINC000480125848 999724137 /nfs/dbraw/zinc/72/41/37/999724137.db2.gz QXDYXADVVDDXHR-UHFFFAOYSA-N -1 3 412.092 3.960 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)Nc1ccc(OC2CCC2)c(F)c1 ZINC000480151002 999731399 /nfs/dbraw/zinc/73/13/99/999731399.db2.gz YGPHSTOIDYUDLP-UHFFFAOYSA-N -1 3 422.460 3.782 20 0 HHADHM CCOc1cn(-c2ccccc2)nc1C(=O)[N-]c1ncn(Cc2ccc(Cl)cc2)n1 ZINC000480164669 999734863 /nfs/dbraw/zinc/73/48/63/999734863.db2.gz YSHSDRWIVICHDC-UHFFFAOYSA-N -1 3 422.876 3.817 20 0 HHADHM O=S(=O)([N-]C1(c2nccs2)CCCC1)c1cccc(OC(F)(F)F)c1F ZINC000489497702 999778757 /nfs/dbraw/zinc/77/87/57/999778757.db2.gz OWGOPHYNRMKCSM-UHFFFAOYSA-N -1 3 410.414 3.929 20 0 HHADHM O=S(=O)([N-]Cc1ccc2ccccc2n1)c1cccc(OC(F)(F)F)c1F ZINC000489514241 999781768 /nfs/dbraw/zinc/78/17/68/999781768.db2.gz NDKFLNMGEQQQOG-UHFFFAOYSA-N -1 3 400.353 3.751 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1ccccc1COCc1ccccc1 ZINC000480376125 999783916 /nfs/dbraw/zinc/78/39/16/999783916.db2.gz IFSWFXRSBZCCIF-UHFFFAOYSA-N -1 3 405.380 3.862 20 0 HHADHM CO[C@@H](C[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)c1ccc(F)cc1 ZINC000489524726 999783969 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HHADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC000490206062 999910527 /nfs/dbraw/zinc/91/05/27/999910527.db2.gz WKYUQJCATGMVLZ-HUUCEWRRSA-N -1 3 412.964 3.522 20 0 HHADHM CSc1nc(C)c(CCC(=O)Nc2nc3ccc(C(F)(F)F)cc3[nH]2)c(=O)[n-]1 ZINC000490374865 999947226 /nfs/dbraw/zinc/94/72/26/999947226.db2.gz VIEWRDBIHGOGHI-UHFFFAOYSA-N -1 3 411.409 3.679 20 0 HHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@H](CC(F)(F)F)c1ccccc1 ZINC000490565385 999977985 /nfs/dbraw/zinc/97/79/85/999977985.db2.gz MQLPWFNKDLLVJS-QGZVFWFLSA-N -1 3 416.403 3.905 20 0 HHADHM CCc1cnccc1CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000490979524 1000029990 /nfs/dbraw/zinc/02/99/90/1000029990.db2.gz XCNFUIRUKSHBSO-UHFFFAOYSA-N -1 3 413.474 3.514 20 0 HHADHM COc1cc(C(=O)N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)cc(OC)c1[O-] ZINC000491833009 1000096559 /nfs/dbraw/zinc/09/65/59/1000096559.db2.gz CMANXRAGCTXDMM-CYBMUJFWSA-N -1 3 402.516 3.765 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@H](C)CCCC(F)(F)F)cc1OC 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DIZIAMQHYJXROB-UHFFFAOYSA-N -1 3 417.350 3.551 20 0 HHADHM O=C(Nc1ccccc1)C1([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000494602752 1000570788 /nfs/dbraw/zinc/57/07/88/1000570788.db2.gz MFVBJPNZEYKRFL-UHFFFAOYSA-N -1 3 418.824 3.808 20 0 HHADHM Cc1nc(C)c(CCC(=O)N(C)Cc2cc(Br)ccc2Cl)c(=O)[n-]1 ZINC000494858766 1000699259 /nfs/dbraw/zinc/69/92/59/1000699259.db2.gz WOMKFTVGGGKJBH-UHFFFAOYSA-N -1 3 412.715 3.806 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@]1(c2ccc(Cl)cc2)C[C@H]1C ZINC000505754636 1001007761 /nfs/dbraw/zinc/00/77/61/1001007761.db2.gz LNVGKDSGCLSQJK-FATZIPQQSA-N -1 3 422.916 3.778 20 0 HHADHM CCSc1cccc(NC(=O)CS(=O)(=O)[N-]c2ccc(OC(C)C)cc2)c1 ZINC000505758196 1001008692 /nfs/dbraw/zinc/00/86/92/1001008692.db2.gz MDCIYIPWKDCMAJ-UHFFFAOYSA-N -1 3 408.545 3.966 20 0 HHADHM CC(C)C[C@@H]1COCCN1C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000505821119 1001044217 /nfs/dbraw/zinc/04/42/17/1001044217.db2.gz WXKMGSODPAWZEC-QGZVFWFLSA-N -1 3 420.506 3.514 20 0 HHADHM C[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000505934965 1001112247 /nfs/dbraw/zinc/11/22/47/1001112247.db2.gz GMRRGYBNTQVKEA-HNNXBMFYSA-N -1 3 412.449 3.666 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1ccc2ncn(-c3ccc(Cl)cc3)c2c1 ZINC000505996953 1001151854 /nfs/dbraw/zinc/15/18/54/1001151854.db2.gz LJRQKFXCWZHZRJ-UHFFFAOYSA-N -1 3 420.782 3.746 20 0 HHADHM Cc1cc(I)cc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)c1 ZINC000506208637 1001279574 /nfs/dbraw/zinc/27/95/74/1001279574.db2.gz WCYMENUJRKXOBP-UHFFFAOYSA-N -1 3 409.149 3.726 20 0 HHADHM Cc1csc(C2([N-]S(=O)(=O)c3cc4c(cc3Cl)OCCO4)CCCC2)n1 ZINC000497354499 1001305519 /nfs/dbraw/zinc/30/55/19/1001305519.db2.gz HXVXCQGWDRECBU-UHFFFAOYSA-N -1 3 414.936 3.624 20 0 HHADHM O=C(CSc1nnc(-c2ccc3ccccc3c2)o1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000497500651 1001404386 /nfs/dbraw/zinc/40/43/86/1001404386.db2.gz WNJRHRJQPMFJOD-UHFFFAOYSA-N -1 3 420.376 3.758 20 0 HHADHM O=C(CSc1nnc(-c2ccc3ccccc3c2)o1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000497500651 1001404390 /nfs/dbraw/zinc/40/43/90/1001404390.db2.gz WNJRHRJQPMFJOD-UHFFFAOYSA-N -1 3 420.376 3.758 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N[C@@H]3C[C@@H](C)CC[C@@H]3C(C)C)c2)n1 ZINC000506459046 1001422383 /nfs/dbraw/zinc/42/23/83/1001422383.db2.gz GFDJWCLAIWERRO-CWFSZBLJSA-N -1 3 424.545 3.927 20 0 HHADHM CCOC1(CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)CCCC1 ZINC000506474084 1001428785 /nfs/dbraw/zinc/42/87/85/1001428785.db2.gz LBIVVCBOILOODJ-UHFFFAOYSA-N -1 3 420.506 3.706 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccco3)c(C)c2)c(C)c1 ZINC000497551646 1001432113 /nfs/dbraw/zinc/43/21/13/1001432113.db2.gz MKXPBJGUKCVDFO-UHFFFAOYSA-N -1 3 400.456 3.958 20 0 HHADHM O=C(NC(=C([O-])Nc1nc(-c2ccsc2)ns1)c1ccccc1)c1ccccc1 ZINC000497559470 1001435413 /nfs/dbraw/zinc/43/54/13/1001435413.db2.gz HXZYEIMYGAKOEM-QGZVFWFLSA-N -1 3 420.519 3.798 20 0 HHADHM COC(=O)[C@H](CS(=O)(=O)[N-]c1cccc(Oc2ccncc2)c1)c1ccccc1 ZINC000506631050 1001476945 /nfs/dbraw/zinc/47/69/45/1001476945.db2.gz 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1011179330 /nfs/dbraw/zinc/17/93/30/1011179330.db2.gz WMZBVKHDGWIJGP-HNNXBMFYSA-N -1 3 401.285 3.867 20 0 HHADHM CO[C@@H](c1ccc(F)cc1)[C@H](C)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000536122979 1011244063 /nfs/dbraw/zinc/24/40/63/1011244063.db2.gz LXZZKSCBMFWXDX-LKFCYVNXSA-N -1 3 408.314 3.704 20 0 HHADHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H](c2cccs2)c2ccc(F)cc2)c1 ZINC000522823871 1011258074 /nfs/dbraw/zinc/25/80/74/1011258074.db2.gz GWYUSTKHODLPTF-MRXNPFEDSA-N -1 3 411.501 3.803 20 0 HHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000536137185 1011259860 /nfs/dbraw/zinc/25/98/60/1011259860.db2.gz RRIGMFQMOAKJOW-OAHLLOKOSA-N -1 3 417.380 3.911 20 0 HHADHM O=C([N-]c1nncn1-c1ccccc1)c1nc(-c2cccs2)n(-c2ccccc2)n1 ZINC000536147897 1011273237 /nfs/dbraw/zinc/27/32/37/1011273237.db2.gz OXPDYGNZTHIONH-UHFFFAOYSA-N -1 3 413.466 3.829 20 0 HHADHM Cc1ccc(-c2nc(C(=O)Nc3ccc(-c4nc(C)cc(=O)[n-]4)cc3)cs2)n1C ZINC000536161161 1011289017 /nfs/dbraw/zinc/28/90/17/1011289017.db2.gz RGYTXAMKQZHNGZ-UHFFFAOYSA-N -1 3 405.483 3.768 20 0 HHADHM O=C(N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000540662011 1011315907 /nfs/dbraw/zinc/31/59/07/1011315907.db2.gz NBZUNQSDQGJFBG-CYBMUJFWSA-N -1 3 416.277 3.622 20 0 HHADHM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc4nc(C(F)F)[nH]c4c3)cc2C[C@@H]1C ZINC000536181113 1011316340 /nfs/dbraw/zinc/31/63/40/1011316340.db2.gz RIGILRLIQAVUHH-JTQLQIEISA-N -1 3 420.441 3.599 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H]3CC=CCC3)c2)cc1 ZINC000522911808 1011358130 /nfs/dbraw/zinc/35/81/30/1011358130.db2.gz LVKQIFSKTDLRHL-MRXNPFEDSA-N -1 3 400.500 3.643 20 0 HHADHM CN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)Nc1cc(F)ccc1[O-] ZINC000536212101 1011359614 /nfs/dbraw/zinc/35/96/14/1011359614.db2.gz WVSARXCBWLTJDB-UHFFFAOYSA-N -1 3 400.431 3.609 20 0 HHADHM O=C(Nc1ccc(Cl)cc1[O-])[C@H]1CCCN1C(=O)c1ccccc1OC(F)F ZINC000536218541 1011366415 /nfs/dbraw/zinc/36/64/15/1011366415.db2.gz CPGSETDQMCSWFB-CQSZACIVSA-N -1 3 410.804 3.890 20 0 HHADHM 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/nfs/dbraw/zinc/72/62/05/1011726205.db2.gz AUSQOTLVIJFUKK-PIGZYNQJSA-N -1 3 411.271 3.869 20 0 HHADHM O=S(=O)([N-][C@@H](c1ccccc1)[C@@H]1CCCO1)c1cc(Br)ccc1F ZINC000523295818 1011776086 /nfs/dbraw/zinc/77/60/86/1011776086.db2.gz HWIKDGMZLJQHNP-RDJZCZTQSA-N -1 3 414.296 3.787 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3nccc(C)n3)cc2)c(C)c1F ZINC000541165226 1011832839 /nfs/dbraw/zinc/83/28/39/1011832839.db2.gz OZAFRSBLMQEUHU-UHFFFAOYSA-N -1 3 403.435 3.834 20 0 HHADHM Cc1cc(-c2nc3cc(F)ccc3n2C)ccc1NC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000523394228 1011873178 /nfs/dbraw/zinc/87/31/78/1011873178.db2.gz OANUPJYWQHNBOI-UHFFFAOYSA-N -1 3 419.460 3.981 20 0 HHADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)[C@@H](C)c2cccs2)cc1 ZINC000523411870 1011892168 /nfs/dbraw/zinc/89/21/68/1011892168.db2.gz OKYUQRPRZGTXSY-AWEZNQCLSA-N -1 3 416.590 3.672 20 0 HHADHM Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)C1 ZINC000523415035 1011896391 /nfs/dbraw/zinc/89/63/91/1011896391.db2.gz 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ZINC000552287098 1012299354 /nfs/dbraw/zinc/29/93/54/1012299354.db2.gz IBTRPHMQUICHFH-OAHLLOKOSA-N -1 3 400.862 3.739 20 0 HHADHM CN(C)Cc1cccc(NC(=O)c2nn(-c3ccccc3C(F)(F)F)cc2[O-])c1 ZINC000541558722 1012345805 /nfs/dbraw/zinc/34/58/05/1012345805.db2.gz PDNROBRXDDJKSR-UHFFFAOYSA-N -1 3 404.392 3.911 20 0 HHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N[C@@H](CC)c3nccs3)nc(=O)c2c1C ZINC000541594242 1012386581 /nfs/dbraw/zinc/38/65/81/1012386581.db2.gz WGCAGLRRIFTFLE-MNOVXSKESA-N -1 3 406.533 3.728 20 0 HHADHM CC[C@@H]1CCCN1C(=O)NCc1cccc([N-]S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000523770111 1012404373 /nfs/dbraw/zinc/40/43/73/1012404373.db2.gz JLPXIKJFXLISCM-GOSISDBHSA-N -1 3 417.531 3.580 20 0 HHADHM CC(C)CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3C)cc1 ZINC000552394146 1012406534 /nfs/dbraw/zinc/40/65/34/1012406534.db2.gz DGZQWQLLRMIAHW-UHFFFAOYSA-N -1 3 402.516 3.821 20 0 HHADHM CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)Nc1c([O-])cccc1Cl)C2=O ZINC000552435674 1012455566 /nfs/dbraw/zinc/45/55/66/1012455566.db2.gz UIRAKAPFYVFEBA-UHFFFAOYSA-N -1 3 421.925 3.901 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)N1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000552663297 1012661778 /nfs/dbraw/zinc/66/17/78/1012661778.db2.gz KQINZWHELTZMBR-UZUQRXQVSA-N -1 3 413.493 3.770 20 0 HHADHM CCCOc1ccc(O[C@H]2CCCC[C@H]2NC(=O)Cc2c(C)nc(C)[n-]c2=O)cc1 ZINC000523958754 1012701155 /nfs/dbraw/zinc/70/11/55/1012701155.db2.gz GBIPWOKCIXASPX-RTWAWAEBSA-N -1 3 413.518 3.637 20 0 HHADHM Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)[N-]c3ncn(C)n3)cc12 ZINC000552699538 1012710252 /nfs/dbraw/zinc/71/02/52/1012710252.db2.gz LONDQOATDZPMMB-UHFFFAOYSA-N -1 3 421.313 4.142 20 0 HHADHM CCOC(=O)c1cc(NC(=O)[C@H](C)Sc2ccnc3cc(Cl)ccc32)[n-]n1 ZINC000541904231 1012764703 /nfs/dbraw/zinc/76/47/03/1012764703.db2.gz MFHAZEOAFBHMSJ-JTQLQIEISA-N -1 3 404.879 3.907 20 0 HHADHM CCOC(=O)c1cc(NC(=O)[C@H](C)Sc2ccnc3cc(Cl)ccc32)n[n-]1 ZINC000541904231 1012764714 /nfs/dbraw/zinc/76/47/14/1012764714.db2.gz MFHAZEOAFBHMSJ-JTQLQIEISA-N -1 3 404.879 3.907 20 0 HHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCc1ccc(OC2CCCC2)cc1 ZINC000552781767 1012786159 /nfs/dbraw/zinc/78/61/59/1012786159.db2.gz WYNMSTOXRXILPJ-UHFFFAOYSA-N -1 3 406.486 3.803 20 0 HHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCO[C@H](C)C2)cc1 ZINC000537343898 1012806122 /nfs/dbraw/zinc/80/61/22/1012806122.db2.gz NKODXINZWKEIJK-IAGOWNOFSA-N -1 3 402.516 3.858 20 0 HHADHM C[C@H]1CCCCCN1C(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000552808242 1012814000 /nfs/dbraw/zinc/81/40/00/1012814000.db2.gz REJHSHKBZFDBMD-NSHDSACASA-N -1 3 410.255 3.537 20 0 HHADHM O=C(Nc1ccc(Br)cc1[O-])c1cn(-c2cccc(Cl)c2F)nn1 ZINC000537359719 1012829321 /nfs/dbraw/zinc/82/93/21/1012829321.db2.gz YJUPWUPNUPFHSC-UHFFFAOYSA-N -1 3 411.618 3.780 20 0 HHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000541983096 1012858573 /nfs/dbraw/zinc/85/85/73/1012858573.db2.gz KOKRIFFGBTXPNC-LJQANCHMSA-N -1 3 402.372 3.761 20 0 HHADHM COc1cccc([C@H]2[C@H](C(=O)Nc3cc(Cl)ccc3[O-])CC(=O)N2C2CC2)c1 ZINC000537387031 1012866029 /nfs/dbraw/zinc/86/60/29/1012866029.db2.gz XHOFOAHSZSLIRV-UZLBHIALSA-N -1 3 400.862 3.745 20 0 HHADHM CC1(C(=O)Nc2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3Cl)c2)COC1 ZINC000542014943 1012901984 /nfs/dbraw/zinc/90/19/84/1012901984.db2.gz CDEZUUGSFOUVOA-UHFFFAOYSA-N -1 3 415.298 3.769 20 0 HHADHM Cc1cc(C)c(C(=O)NCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)c(C)c1 ZINC000552942589 1012933096 /nfs/dbraw/zinc/93/30/96/1012933096.db2.gz UYXRXARIJRLMPS-UHFFFAOYSA-N -1 3 415.342 3.627 20 0 HHADHM Cc1nc(C2([N-]S(=O)(=O)c3ccccc3-c3ccno3)CCCCCC2)no1 ZINC000542037613 1012939004 /nfs/dbraw/zinc/93/90/04/1012939004.db2.gz IMBXINIWIAJKHJ-UHFFFAOYSA-N -1 3 402.476 3.561 20 0 HHADHM COC1(C)CCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)ccc2C)CC1 ZINC000553054178 1013028660 /nfs/dbraw/zinc/02/86/60/1013028660.db2.gz LDPZMLTUHKGJIB-UHFFFAOYSA-N -1 3 416.543 3.745 20 0 HHADHM CSCC[C@H]([N-]S(=O)(=O)c1ccccc1)c1nc(-c2ccc(C)cc2)no1 ZINC000904568796 1071812511 /nfs/dbraw/zinc/81/25/11/1071812511.db2.gz FVQSOXMSPKTSFX-KRWDZBQOSA-N -1 3 403.529 3.818 20 0 HHADHM COC(=O)c1cccc(-c2noc(-c3ccc(C(=O)OCc4ccccc4)[n-]3)n2)c1 ZINC000904605794 1071823022 /nfs/dbraw/zinc/82/30/22/1071823022.db2.gz LZOWJCJWRNFVSO-UHFFFAOYSA-N -1 3 403.394 3.875 20 0 HHADHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-]CC(C)(C)c2ccc(C)cc2C)c1 ZINC001211982614 1071840795 /nfs/dbraw/zinc/84/07/95/1071840795.db2.gz WYNIYTOYAFGMJJ-UHFFFAOYSA-N -1 3 407.507 3.794 20 0 HHADHM CC(C)(C)OC(=O)C1(c2noc([C@@H]3CCCN3C(=O)c3ccccc3[O-])n2)CCC1 ZINC000904827573 1071907653 /nfs/dbraw/zinc/90/76/53/1071907653.db2.gz VKBLQTLNZOFHFJ-HNNXBMFYSA-N -1 3 413.474 3.516 20 0 HHADHM C[C@@H]1[C@@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)CCN1Cc1ccccc1 ZINC001212064269 1071942160 /nfs/dbraw/zinc/94/21/60/1071942160.db2.gz MURFUPOJLFNEAA-YPMHNXCESA-N -1 3 405.372 3.996 20 0 HHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3cccc4c3O[C@H](C)C(=O)N4)nc(=O)c2c1C ZINC000729741406 1072025888 /nfs/dbraw/zinc/02/58/88/1072025888.db2.gz LWLRIGIXIIFXLM-VHSXEESVSA-N -1 3 413.455 3.651 20 0 HHADHM Cn1ccc2ccc(-c3noc([C@@H](N)CCc4cc(=O)oc5cc([O-])ccc45)n3)cc21 ZINC001212097920 1072075540 /nfs/dbraw/zinc/07/55/40/1072075540.db2.gz PEHKOOIJLKXNBN-SFHVURJKSA-N -1 3 416.437 3.673 20 0 HHADHM Cc1ccc(C)c([C@H](C)N(C)C(=O)C[C@@H](C)[N-]S(=O)(=O)c2cccnc2Cl)c1 ZINC000760345582 1072260887 /nfs/dbraw/zinc/26/08/87/1072260887.db2.gz UBMLDSNWOOZUJP-CVEARBPZSA-N -1 3 423.966 3.628 20 0 HHADHM COc1ccccc1[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)c1ccccn1 ZINC000760402238 1072326912 /nfs/dbraw/zinc/32/69/12/1072326912.db2.gz AJOCVXZFMRGYRJ-KRWDZBQOSA-N -1 3 424.309 3.860 20 0 HHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCC(c2nnc3n2CCC3)CC1 ZINC000586752408 1072416005 /nfs/dbraw/zinc/41/60/05/1072416005.db2.gz HEPYGTGFBSWMGK-UHFFFAOYSA-N -1 3 416.525 3.735 20 0 HHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000760523215 1072508605 /nfs/dbraw/zinc/50/86/05/1072508605.db2.gz QRCGMMMVGNBFTH-UHFFFAOYSA-N -1 3 416.474 3.595 20 0 HHADHM O=C(NC[C@H]1[C@@H]2c3ccccc3C[C@H]12)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000571021363 1072532396 /nfs/dbraw/zinc/53/23/96/1072532396.db2.gz HNSYWGJFWPGJBF-AKCHCHLHSA-N -1 3 409.283 3.606 20 0 HHADHM COc1cccc2c(C(=O)Nc3cccc([N-]S(=O)(=O)c4ccccc4)c3)n[nH]c21 ZINC000571215295 1072583429 /nfs/dbraw/zinc/58/34/29/1072583429.db2.gz OKDSXAQEODCZAZ-UHFFFAOYSA-N -1 3 422.466 3.625 20 0 HHADHM O=S(=O)([N-]C[C@H]1COc2ccccc21)c1cccc(Br)c1Cl ZINC000571319773 1072601899 /nfs/dbraw/zinc/60/18/99/1072601899.db2.gz YCRSKMNOIDZQNQ-JTQLQIEISA-N -1 3 402.697 3.557 20 0 HHADHM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccc([C@H](C)N3CCOCC3)cc2)c1 ZINC000571489830 1072637921 /nfs/dbraw/zinc/63/79/21/1072637921.db2.gz ONWCZMUBEQKMAO-HNNXBMFYSA-N -1 3 424.950 3.680 20 0 HHADHM Cc1cc(F)c(Br)cc1S(=O)(=O)[N-]c1ncccc1Br ZINC000479114977 1072750940 /nfs/dbraw/zinc/75/09/40/1072750940.db2.gz MQEWAYDQFYZRTG-UHFFFAOYSA-N -1 3 424.089 3.855 20 0 HHADHM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)C(F)(F)F)c1C ZINC000479117724 1072754878 /nfs/dbraw/zinc/75/48/78/1072754878.db2.gz CIPMZODQCKOJFR-OAHLLOKOSA-N -1 3 422.400 3.529 20 0 HHADHM COC(=O)c1cc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cc(Cl)c1F ZINC000588018886 1072756923 /nfs/dbraw/zinc/75/69/23/1072756923.db2.gz ARANUDKXOXOXDD-UHFFFAOYSA-N -1 3 406.772 3.807 20 0 HHADHM CCn1c(CNC(=O)NCc2ccc([O-])c(F)c2)nc2cc(Br)ccc21 ZINC000479153559 1072775424 /nfs/dbraw/zinc/77/54/24/1072775424.db2.gz IIJMFUWPUIJLMX-UHFFFAOYSA-N -1 3 421.270 3.663 20 0 HHADHM CC(=O)Nc1cc(S(=O)(=O)[N-][C@@](C)(c2ccc(F)cc2)C(F)(F)F)ccc1F ZINC000479153613 1072777072 /nfs/dbraw/zinc/77/70/72/1072777072.db2.gz IQVOLDFUEDVBBB-INIZCTEOSA-N -1 3 422.375 3.679 20 0 HHADHM O=C(Nc1ccc(Cl)cc1)N1CCCN(C(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000588096077 1072819908 /nfs/dbraw/zinc/81/99/08/1072819908.db2.gz NWNMDPACNAMDLO-UHFFFAOYSA-N -1 3 424.888 3.562 20 0 HHADHM Cc1ccc(-c2nc([N-]C(=O)c3csc(-c4ccc5c(c4)OCO5)n3)n[nH]2)cc1 ZINC000588213990 1072915904 /nfs/dbraw/zinc/91/59/04/1072915904.db2.gz KMHGILAMOAZNQK-UHFFFAOYSA-N -1 3 405.439 3.885 20 0 HHADHM O=S(=O)(Cc1ccc(C(F)F)cc1)[N-]Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000555294774 1073326069 /nfs/dbraw/zinc/32/60/69/1073326069.db2.gz DVFQCDXSLGNWES-UHFFFAOYSA-N -1 3 413.833 3.947 20 0 HHADHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)c1cccnc1 ZINC000555376398 1073385893 /nfs/dbraw/zinc/38/58/93/1073385893.db2.gz GBCHCOAXVFLVKE-HNNXBMFYSA-N -1 3 407.294 3.566 20 0 HHADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H](c3nccs3)C(F)(F)F)cc2)co1 ZINC000555414616 1073429099 /nfs/dbraw/zinc/42/90/99/1073429099.db2.gz YWUOKBUTQUUZSI-ZDUSSCGKSA-N -1 3 403.407 3.688 20 0 HHADHM Cc1cccc(N(C)C(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000589126311 1073446721 /nfs/dbraw/zinc/44/67/21/1073446721.db2.gz BQVNGIGFYCUQID-UHFFFAOYSA-N -1 3 401.315 3.633 20 0 HHADHM COCCOc1ccccc1S(=O)(=O)[N-]c1cccc(Br)c1Cl ZINC000555447326 1073492898 /nfs/dbraw/zinc/49/28/98/1073492898.db2.gz VSUZRRSNKFVULV-UHFFFAOYSA-N -1 3 420.712 3.929 20 0 HHADHM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(-c4ccccc4)[nH]c3c2)cc1 ZINC000555579605 1073636519 /nfs/dbraw/zinc/63/65/19/1073636519.db2.gz ABRSPYPFFDZNCT-UHFFFAOYSA-N -1 3 421.478 3.746 20 0 HHADHM CC[C@@H](C)Oc1ccccc1/C=C\C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000760769724 1073674725 /nfs/dbraw/zinc/67/47/25/1073674725.db2.gz BCHZBJYBYKGDEI-MENFKHAKSA-N -1 3 408.498 3.567 20 0 HHADHM CC(C)[C@](C)(Cc1ccc(Cl)cc1)NCC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000555673079 1073718274 /nfs/dbraw/zinc/71/82/74/1073718274.db2.gz YATIPSHZLTXNOQ-FQEVSTJZSA-N -1 3 405.951 3.909 20 0 HHADHM CCC[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000590652666 1073965288 /nfs/dbraw/zinc/96/52/88/1073965288.db2.gz USLVFMXWVZSYLD-DNVCBOLYSA-N -1 3 410.518 3.825 20 0 HHADHM CCC[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000590652667 1073965340 /nfs/dbraw/zinc/96/53/40/1073965340.db2.gz USLVFMXWVZSYLD-HNAYVOBHSA-N -1 3 410.518 3.825 20 0 HHADHM CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(Br)cc1[O-] ZINC000590701485 1073983757 /nfs/dbraw/zinc/98/37/57/1073983757.db2.gz WSCVEFDBVYJSDR-UHFFFAOYSA-N -1 3 402.248 3.991 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCC[C@@H]3C3CC3)c2)cc1 ZINC000590720467 1073992877 /nfs/dbraw/zinc/99/28/77/1073992877.db2.gz YHQUJYIPIOSAKP-OAQYLSRUSA-N -1 3 414.527 3.819 20 0 HHADHM CN(Cc1nc2ccccc2[nH]1)C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC000555963177 1074002380 /nfs/dbraw/zinc/00/23/80/1074002380.db2.gz QPUKCGGTGGDQRI-UHFFFAOYSA-N -1 3 416.359 3.575 20 0 HHADHM O=S(=O)([N-]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1)c1cc(F)ccc1Cl ZINC000590793975 1074006189 /nfs/dbraw/zinc/00/61/89/1074006189.db2.gz YEMPPFDMGVNDJC-NSHDSACASA-N -1 3 404.841 3.562 20 0 HHADHM Cc1ccnc(COC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)c1 ZINC000785417446 1074071854 /nfs/dbraw/zinc/07/18/54/1074071854.db2.gz OEUSCDOFJLSRPJ-UHFFFAOYSA-N -1 3 400.431 3.687 20 0 HHADHM O=C(Nc1ccc2[nH]c(-c3ccc(F)cc3)nc2c1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000591096620 1074109519 /nfs/dbraw/zinc/10/95/19/1074109519.db2.gz CBZFOEZYEDYFFI-UHFFFAOYSA-N -1 3 400.369 3.505 20 0 HHADHM CC(C)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000591177552 1074144435 /nfs/dbraw/zinc/14/44/35/1074144435.db2.gz KSMOZLNJQUFTBG-LJQANCHMSA-N -1 3 420.517 3.557 20 0 HHADHM CC(C)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000591177552 1074144437 /nfs/dbraw/zinc/14/44/37/1074144437.db2.gz KSMOZLNJQUFTBG-LJQANCHMSA-N -1 3 420.517 3.557 20 0 HHADHM CO/C(=C\c1ccccc1)C(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001649006255 1074194243 /nfs/dbraw/zinc/19/42/43/1074194243.db2.gz OSGISXFNMFVWFH-UEIJICEPSA-N -1 3 418.415 3.873 20 0 HHADHM Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000591265050 1074222475 /nfs/dbraw/zinc/22/24/75/1074222475.db2.gz RPHZGKBRLIFVKX-LLVKDONJSA-N -1 3 400.479 3.790 20 0 HHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CCCn2ccc3ccccc32)cc1Cl ZINC000591387475 1074262744 /nfs/dbraw/zinc/26/27/44/1074262744.db2.gz ZSDYLZSZVNVWEH-UHFFFAOYSA-N -1 3 423.897 3.761 20 0 HHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CC(C)(C)c2ccccc2F)cc1Cl ZINC000591389685 1074263097 /nfs/dbraw/zinc/26/30/97/1074263097.db2.gz LBTHEWPXSQVDMB-UHFFFAOYSA-N -1 3 416.877 3.833 20 0 HHADHM CC[C@@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)c1nc(C)cs1 ZINC000591352252 1074264689 /nfs/dbraw/zinc/26/46/89/1074264689.db2.gz MOVCDCFACGGNKR-CQSZACIVSA-N -1 3 422.507 3.601 20 0 HHADHM CCOc1cccc2cc([C@@H](C)[N-]S(=O)(=O)c3ccsc3C(=O)OC)oc21 ZINC000591587070 1074429098 /nfs/dbraw/zinc/42/90/98/1074429098.db2.gz UBQXOCKDGWODBT-LLVKDONJSA-N -1 3 409.485 3.719 20 0 HHADHM O=C(COC(=O)c1ccccc1SCc1ccco1)[N-]C(=O)c1cccs1 ZINC000760889009 1074522525 /nfs/dbraw/zinc/52/25/25/1074522525.db2.gz UJALBJYFXPZTCD-UHFFFAOYSA-N -1 3 401.465 3.747 20 0 HHADHM Cc1ccc2c(c1)OCCN2C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000760893233 1074562895 /nfs/dbraw/zinc/56/28/95/1074562895.db2.gz CRVUPWSBWFYJMR-UHFFFAOYSA-N -1 3 423.494 3.686 20 0 HHADHM CCOC(=O)c1sc2[n-]c(CC(=O)Nc3cccc4ccccc43)nc(=O)c2c1C ZINC000591860879 1074609317 /nfs/dbraw/zinc/60/93/17/1074609317.db2.gz FNHGAYCKEXHSOD-UHFFFAOYSA-N -1 3 421.478 3.804 20 0 HHADHM COC(=O)c1c(F)ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)c1F ZINC000573737942 1074642196 /nfs/dbraw/zinc/64/21/96/1074642196.db2.gz FGRRNTBQRCXLQE-UHFFFAOYSA-N -1 3 413.295 3.710 20 0 HHADHM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(CS(=O)(=O)C(C)(C)C)cc3)ccc2O1 ZINC000592006923 1074655959 /nfs/dbraw/zinc/65/59/59/1074655959.db2.gz MGLLNADTYXLUFV-CQSZACIVSA-N -1 3 423.556 3.524 20 0 HHADHM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(Sc4nccn4C)cc3)ccc2O1 ZINC000592003127 1074664686 /nfs/dbraw/zinc/66/46/86/1074664686.db2.gz HTRZWMQSNWSTKV-ZDUSSCGKSA-N -1 3 401.513 3.696 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@@H]2CCc3ccc(C)cc32)cc1OC ZINC000592470459 1074762854 /nfs/dbraw/zinc/76/28/54/1074762854.db2.gz XWWDCKIJZPQYDB-QGZVFWFLSA-N -1 3 403.504 3.574 20 0 HHADHM Cc1ccc2c(c1)[C@@H](NC(=O)c1cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]1)CC2 ZINC000592784251 1075110755 /nfs/dbraw/zinc/11/07/55/1075110755.db2.gz JYAJJCVCLZOIFS-SFHVURJKSA-N -1 3 413.474 3.680 20 0 HHADHM COC(=O)c1ccc(F)c([N-]C(=O)c2nccnc2-c2nc3ccccc3s2)c1 ZINC000593274359 1075192148 /nfs/dbraw/zinc/19/21/48/1075192148.db2.gz MOBXZUAYRBSWRS-UHFFFAOYSA-N -1 3 408.414 3.931 20 0 HHADHM O=C(NCCCc1c[n-][nH]c1=O)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1 ZINC001168403877 1075294331 /nfs/dbraw/zinc/29/43/31/1075294331.db2.gz JGDQXBISYRMUGF-ZDUSSCGKSA-N -1 3 407.367 3.753 20 0 HHADHM Cc1cc(C)c(NC(=O)[C@H](C)S(=O)(=O)c2nc(CCC3CCCC3)n[n-]2)c(C)c1 ZINC000595031297 1075394011 /nfs/dbraw/zinc/39/40/11/1075394011.db2.gz BUYAIKZLGCQQHH-INIZCTEOSA-N -1 3 418.563 3.654 20 0 HHADHM Cc1cc(C)c(NC(=O)[C@H](C)S(=O)(=O)c2nnc(CCC3CCCC3)[n-]2)c(C)c1 ZINC000595031297 1075394013 /nfs/dbraw/zinc/39/40/13/1075394013.db2.gz BUYAIKZLGCQQHH-INIZCTEOSA-N -1 3 418.563 3.654 20 0 HHADHM O=C([O-])[C@@]1(NC(=O)c2ccc3ccc(Cl)cc3n2)CCCN(Cc2ccccc2)C1 ZINC001263628533 939829160 /nfs/dbraw/zinc/82/91/60/939829160.db2.gz ZSSOYZONEZKNIB-HSZRJFAPSA-N -1 3 423.900 3.737 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3ccc(NC(=O)NC(C)C)cc3)nc2)n1 ZINC000301170090 970785556 /nfs/dbraw/zinc/78/55/56/970785556.db2.gz JKDRCZOYFAACRX-UHFFFAOYSA-N -1 3 406.490 3.949 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@H](O)c3cccc(C(F)(F)F)c3)nc2)n1 ZINC000301204507 970805957 /nfs/dbraw/zinc/80/59/57/970805957.db2.gz PAJSZKXUYAUVNZ-INIZCTEOSA-N -1 3 404.392 3.971 20 0 HHADHM Cc1nc(-c2ccc(NCCc3nccn3Cc3ccccc3)nc2)[n-]c(=O)c1C ZINC000301380103 970897224 /nfs/dbraw/zinc/89/72/24/970897224.db2.gz YOFHWCMOOSWBSS-UHFFFAOYSA-N -1 3 400.486 3.760 20 0 HHADHM COc1cccc([C@H](C)N2CCN(c3ccc(-c4nc(C)c(C)c(=O)[n-]4)cn3)CC2)c1 ZINC000301390621 970903373 /nfs/dbraw/zinc/90/33/73/970903373.db2.gz ALUNLVYUUUZTKO-SFHVURJKSA-N -1 3 419.529 3.753 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](c3nccn3C)c3ccccc3OC)nc2)n1 ZINC000301499445 970958121 /nfs/dbraw/zinc/95/81/21/970958121.db2.gz CZHHKSCTSATXDU-OAQYLSRUSA-N -1 3 416.485 3.750 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3ccccc3CN3CCCC3=O)nc2)n1 ZINC000301973943 971138218 /nfs/dbraw/zinc/13/82/18/971138218.db2.gz BGMWQLCGUNZCMP-UHFFFAOYSA-N -1 3 403.486 3.541 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3CCN(C)[C@H]3c3ccc(F)c(F)c3)nc2)n1 ZINC000302829993 971338328 /nfs/dbraw/zinc/33/83/28/971338328.db2.gz PSYWLLZVEGUCDX-RXVVDRJESA-N -1 3 411.456 3.942 20 0 HHADHM O=C1[N-]C(=O)C(=CNc2ccc(Br)cc2Br)c2ccccc21 ZINC000302842256 971347112 /nfs/dbraw/zinc/34/71/12/971347112.db2.gz DLLMJQHXFZFJHY-XYOKQWHBSA-N -1 3 422.076 3.935 20 0 HHADHM O=C(CCCCc1nc2ccccc2s1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000302986004 971436818 /nfs/dbraw/zinc/43/68/18/971436818.db2.gz VBVPDJHIEMOYCT-UHFFFAOYSA-N -1 3 423.538 3.699 20 0 HHADHM CCOC(=O)[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)Cc1ccccc1 ZINC000303067460 971486246 /nfs/dbraw/zinc/48/62/46/971486246.db2.gz NPAFLCWISZKFAI-CQSZACIVSA-N -1 3 416.326 3.694 20 0 HHADHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc2ccccc2c1)c1nc(-c2cccnc2)no1 ZINC000303118987 971512768 /nfs/dbraw/zinc/51/27/68/971512768.db2.gz HZYTVWWTIGFABQ-IBGZPJMESA-N -1 3 408.483 3.960 20 0 HHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1ccccc1C(=O)c1ccc(F)c(F)c1 ZINC000542162514 1013099273 /nfs/dbraw/zinc/09/92/73/1013099273.db2.gz IVXCLPNHWFWKPZ-UHFFFAOYSA-N -1 3 405.364 3.628 20 0 HHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1ccccc1C(=O)c1ccc(F)c(F)c1 ZINC000542162514 1013099287 /nfs/dbraw/zinc/09/92/87/1013099287.db2.gz IVXCLPNHWFWKPZ-UHFFFAOYSA-N -1 3 405.364 3.628 20 0 HHADHM COC(=O)CCc1nnc([N-]C(=O)c2sc(-c3ccc(F)c(F)c3)nc2C)s1 ZINC000537568320 1013105789 /nfs/dbraw/zinc/10/57/89/1013105789.db2.gz FUFAQCFJXQZREE-UHFFFAOYSA-N -1 3 424.454 3.606 20 0 HHADHM CS(=O)(=O)[N-]c1cncc(C(=O)Nc2ccc(F)cc2Nc2ccccc2F)c1 ZINC000542170946 1013108464 /nfs/dbraw/zinc/10/84/64/1013108464.db2.gz PDQYTSRSFPEJCY-UHFFFAOYSA-N -1 3 418.425 3.727 20 0 HHADHM COC(=O)c1sc2[n-]c(CN(C)[C@@H]3CCCc4nc(C)sc43)nc(=O)c2c1C ZINC000303434784 971718792 /nfs/dbraw/zinc/71/87/92/971718792.db2.gz DCTZRVSRTWYYLB-GFCCVEGCSA-N -1 3 418.544 3.766 20 0 HHADHM CN(C(=O)c1cc(Cc2ccccc2)ccc1[O-])[C@H]1CCN(c2ccccc2F)C1=O ZINC000303474537 971775544 /nfs/dbraw/zinc/77/55/44/971775544.db2.gz IBXULSKUFIIUKC-QFIPXVFZSA-N -1 3 418.468 4.000 20 0 HHADHM C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000303493490 971790950 /nfs/dbraw/zinc/79/09/50/971790950.db2.gz SQOYVBCHEGTIAA-RDTXWAMCSA-N -1 3 420.431 3.763 20 0 HHADHM Cc1cccc([C@H]2CCCN2C(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)c1C ZINC000303861505 972403017 /nfs/dbraw/zinc/40/30/17/972403017.db2.gz HFPDNDPKRIWNAV-HXUWFJFHSA-N -1 3 416.518 3.861 20 0 HHADHM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)[C@H]2CCCC[C@H]2CC)cc1F ZINC000537652032 1013213699 /nfs/dbraw/zinc/21/36/99/1013213699.db2.gz NEWYVQLGTPXIRT-KDOFPFPSSA-N -1 3 420.572 3.567 20 0 HHADHM COC(=O)c1sc2[n-]c(C(Cl)=Cc3ccc(O)c(OC)c3)nc(=O)c2c1C ZINC000007488916 961213888 /nfs/dbraw/zinc/21/38/88/961213888.db2.gz FXILMKKHLHPLJM-POHAHGRESA-N -1 3 406.847 3.943 20 0 HHADHM O=C([N-]NC(=O)c1ccc(C#Cc2ccccc2)cc1)c1ccccc1Br ZINC000010042817 961731635 /nfs/dbraw/zinc/73/16/35/961731635.db2.gz VSNOLNDJSHQUOU-UHFFFAOYSA-N -1 3 419.278 3.924 20 0 HHADHM COc1ccccc1[C@H](CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])N1CCCC1 ZINC000013192429 962375014 /nfs/dbraw/zinc/37/50/14/962375014.db2.gz ZKKGKDCBRVGBQN-BQYDLMEBSA-N -1 3 411.458 3.950 20 0 HHADHM COCCNC(=O)c1sc2[n-]c(CSc3cc(C)ccc3C)nc(=O)c2c1C ZINC000014048987 962411108 /nfs/dbraw/zinc/41/11/08/962411108.db2.gz DUHKKXPYXIBEPC-UHFFFAOYSA-N -1 3 417.556 3.578 20 0 HHADHM Cc1ncc(CNC(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)c(=O)[n-]1 ZINC000542386913 1013340897 /nfs/dbraw/zinc/34/08/97/1013340897.db2.gz SUSAAHMJLZQYFX-UHFFFAOYSA-N -1 3 404.401 3.882 20 0 HHADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H](C)c2sc(-c3ccccc3)nc2C)s1 ZINC000553439014 1013355242 /nfs/dbraw/zinc/35/52/42/1013355242.db2.gz INQFXGWEXCHZTN-NSHDSACASA-N -1 3 422.557 3.573 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)NN(C)c1ccccc1 ZINC000015133501 962669119 /nfs/dbraw/zinc/66/91/19/962669119.db2.gz WHLPPSGEWYYEFQ-UHFFFAOYSA-N -1 3 413.474 3.716 20 0 HHADHM Cc1ncc(CNC(=O)NCc2ccccc2COc2ccccc2Cl)c(=O)[n-]1 ZINC000542417067 1013369213 /nfs/dbraw/zinc/36/92/13/1013369213.db2.gz YRRGIRAEKOMFIK-UHFFFAOYSA-N -1 3 412.877 3.722 20 0 HHADHM Cc1sc2ncn([N-]C(=O)c3ccc([N+](=O)[O-])cc3)c(=O)c2c1-c1ccccc1 ZINC000015538845 962785808 /nfs/dbraw/zinc/78/58/08/962785808.db2.gz FNCGXUPTNJFRSR-UHFFFAOYSA-N -1 3 406.423 3.726 20 0 HHADHM COc1ccc(Br)c(C(=O)[N-]NC(=O)c2cc3c(s2)CC[C@H](C)C3)c1 ZINC000015557073 962793049 /nfs/dbraw/zinc/79/30/49/962793049.db2.gz NSMRPCJVFUFPRD-JTQLQIEISA-N -1 3 423.332 3.719 20 0 HHADHM O=C([N-]NC(=O)c1cc(-c2ccccc2)n[nH]1)c1cc(Br)ccc1Cl ZINC000015841819 962884508 /nfs/dbraw/zinc/88/45/08/962884508.db2.gz WIZFGZNZGCHFRP-UHFFFAOYSA-N -1 3 419.666 3.567 20 0 HHADHM CC(C)C(=O)N[N-]C(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000015983414 962905943 /nfs/dbraw/zinc/90/59/43/962905943.db2.gz ZISSWNUTAOOJFG-UHFFFAOYSA-N -1 3 416.484 3.773 20 0 HHADHM COCCOC(=O)c1sc2[n-]c(C(Cl)=Cc3ccc(F)cc3)nc(=O)c2c1C 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COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)OCC(F)(F)F)c2)cc1 ZINC000055530920 965902200 /nfs/dbraw/zinc/90/22/00/965902200.db2.gz BOTCREBCBIHNGE-UHFFFAOYSA-N -1 3 403.378 3.524 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3nnc4n3CCCCC4)c2)c(C)c1 ZINC000055565307 965922219 /nfs/dbraw/zinc/92/22/19/965922219.db2.gz PBTFCDLNDAMXAT-UHFFFAOYSA-N -1 3 412.515 3.789 20 0 HHADHM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)OCCCC#N)c(Cl)cc1Cl ZINC000058857499 965930309 /nfs/dbraw/zinc/93/03/09/965930309.db2.gz AZPJEEJZWLGFEZ-LLVKDONJSA-N -1 3 407.319 3.921 20 0 HHADHM Cc1occc1C(=O)Nc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)ccc1F ZINC000055592698 965948161 /nfs/dbraw/zinc/94/81/61/965948161.db2.gz LSEMTMUCNRNCFQ-UHFFFAOYSA-N -1 3 416.430 3.715 20 0 HHADHM CCNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(OCCC(C)C)cc2)c1 ZINC000055611025 965960584 /nfs/dbraw/zinc/96/05/84/965960584.db2.gz CTQGTHXHRJKSPH-UHFFFAOYSA-N -1 3 404.532 3.970 20 0 HHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(F)c2)cc1OCC ZINC000055644940 965988571 /nfs/dbraw/zinc/98/85/71/965988571.db2.gz MJZFMPRZCMCXCA-UHFFFAOYSA-N -1 3 405.451 3.610 20 0 HHADHM O=C1CCCN1c1ccc(F)c([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000055663614 966007416 /nfs/dbraw/zinc/00/74/16/966007416.db2.gz VXMXTESIUDGFPU-UHFFFAOYSA-N -1 3 413.268 3.516 20 0 HHADHM Cc1ccc(C)c(C(=O)COC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)c1 ZINC000031514041 966040084 /nfs/dbraw/zinc/04/00/84/966040084.db2.gz BHZULVYBYARIAS-UHFFFAOYSA-N -1 3 421.490 3.559 20 0 HHADHM CCOc1ccc(NC(=S)N[N-]C(=O)c2cnn(-c3cccc(Cl)c3)c2)cc1 ZINC000055802388 966072277 /nfs/dbraw/zinc/07/22/77/966072277.db2.gz VJRURWAIBCMCEX-UHFFFAOYSA-N -1 3 415.906 3.556 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)N[C@@H](CC(C)C)c2nc3ccccc3[nH]2)c([O-])c1 ZINC000060379129 966122274 /nfs/dbraw/zinc/12/22/74/966122274.db2.gz GTILZDFDKRYLKV-IBGZPJMESA-N -1 3 408.502 3.600 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)N[C@H](CC(C)C)c2nc3ccccc3[nH]2)c([O-])c1 ZINC000060379130 966122327 /nfs/dbraw/zinc/12/23/27/966122327.db2.gz GTILZDFDKRYLKV-LJQANCHMSA-N -1 3 408.502 3.600 20 0 HHADHM O=C(c1ccccc1[O-])N1CCN(C(=S)Nc2ccc(SC(F)F)cc2)CC1 ZINC000060435002 966142174 /nfs/dbraw/zinc/14/21/74/966142174.db2.gz ZQSGBHOQJUAPPW-UHFFFAOYSA-N -1 3 423.510 3.862 20 0 HHADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)NCCC3CCCC3)c2)c1 ZINC000031934335 966155588 /nfs/dbraw/zinc/15/55/88/966155588.db2.gz FCNDNQJOQYHKFE-UHFFFAOYSA-N -1 3 412.486 3.972 20 0 HHADHM O=C(NC[C@H]1CC1(Cl)Cl)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000031939453 966156397 /nfs/dbraw/zinc/15/63/97/966156397.db2.gz GMLHMTZVEOWYKU-GFCCVEGCSA-N -1 3 417.289 3.550 20 0 HHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCCOc1ccc(C(C)(C)C)cc1 ZINC000032044286 966182481 /nfs/dbraw/zinc/18/24/81/966182481.db2.gz LSBCIQNRJNTQCV-UHFFFAOYSA-N -1 3 408.502 3.658 20 0 HHADHM CC(C)Cc1ccc(C(=O)CCC(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000032144495 966196283 /nfs/dbraw/zinc/19/62/83/966196283.db2.gz ZKWSAPXQBPRBLL-UHFFFAOYSA-N -1 3 402.516 3.858 20 0 HHADHM O=C(c1cc(S(=O)(=O)[N-]c2cccc(C(F)F)c2Cl)c[nH]1)N1CCCC1 ZINC000542721126 1013632338 /nfs/dbraw/zinc/63/23/38/1013632338.db2.gz KEXMDQPCKPOCHE-UHFFFAOYSA-N -1 3 403.838 3.643 20 0 HHADHM O=S(=O)([N-]Cc1ccc(N2CCCCC2)nc1)c1c(Cl)cccc1Cl ZINC000056071213 966202503 /nfs/dbraw/zinc/20/25/03/966202503.db2.gz MSVWEHCRLQNRHU-UHFFFAOYSA-N -1 3 400.331 3.857 20 0 HHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1cccc(OCC(F)(F)F)c1 ZINC000032245042 966205109 /nfs/dbraw/zinc/20/51/09/966205109.db2.gz DDKWZTXZGYEJKY-UHFFFAOYSA-N -1 3 406.364 3.745 20 0 HHADHM O=S(=O)([N-]Cc1ccc(N2CCc3ccccc3C2)nc1)c1ccc(Cl)s1 ZINC000056097161 966213193 /nfs/dbraw/zinc/21/31/93/966213193.db2.gz JULHIKCBDRPMCZ-UHFFFAOYSA-N -1 3 419.959 3.838 20 0 HHADHM O=C(NCC1(c2cccc(Br)c2)CCC1)N[N-]C(=O)c1ccccc1F ZINC000060632315 966237874 /nfs/dbraw/zinc/23/78/74/966237874.db2.gz YPVZWWKGRIVKQU-UHFFFAOYSA-N -1 3 420.282 3.654 20 0 HHADHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(N3CCCCC3)c2)ccc1F ZINC000056224984 966265755 /nfs/dbraw/zinc/26/57/55/966265755.db2.gz TZJUEDPHYSHTKD-UHFFFAOYSA-N -1 3 417.506 3.533 20 0 HHADHM CN(C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)c1ccc(F)c(F)c1 ZINC000056227213 966266221 /nfs/dbraw/zinc/26/62/21/966266221.db2.gz JABLFYFRSKFMPO-UHFFFAOYSA-N -1 3 409.389 3.509 20 0 HHADHM Cc1ccc(S(=O)(=O)Oc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)s1 ZINC000032550201 966280061 /nfs/dbraw/zinc/28/00/61/966280061.db2.gz GEHQGNWGFYCRLZ-UHFFFAOYSA-N -1 3 423.537 3.933 20 0 HHADHM CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)OCC(C)(C)c2ccccc2)cc1 ZINC000060784825 966288043 /nfs/dbraw/zinc/28/80/43/966288043.db2.gz SUDSZPKBPHMAMZ-UHFFFAOYSA-N -1 3 405.516 3.737 20 0 HHADHM Cc1nc2ccccc2n1CCC[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000060950085 966334294 /nfs/dbraw/zinc/33/42/94/966334294.db2.gz BFGZGHRMHKCSQG-UHFFFAOYSA-N -1 3 414.350 3.537 20 0 HHADHM O=C(COC(=O)CCCOc1ccc(Cl)cc1Cl)[N-]C(=O)c1cccs1 ZINC000032856924 966338116 /nfs/dbraw/zinc/33/81/16/966338116.db2.gz FMQGGQQTETUHEZ-UHFFFAOYSA-N -1 3 416.282 3.714 20 0 HHADHM CC(C)C[N-]S(=O)(=O)c1cc(C(=O)OCC(=O)C(C)(C)C)c(Cl)cc1Cl ZINC000033389893 966406296 /nfs/dbraw/zinc/40/62/96/966406296.db2.gz DOYUCXASCOVJAN-UHFFFAOYSA-N -1 3 424.346 3.700 20 0 HHADHM CCN(CC(=O)Nc1ccccc1OC)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000034870500 966416717 /nfs/dbraw/zinc/41/67/17/966416717.db2.gz MWSDAZAQUCDMKG-UHFFFAOYSA-N -1 3 406.442 3.551 20 0 HHADHM COc1cccc([C@H](CNC(=O)c2cc(Br)ccc2[O-])N2CCCC2)c1 ZINC000036074965 966426194 /nfs/dbraw/zinc/42/61/94/966426194.db2.gz BVSWZBKACLYCKO-SFHVURJKSA-N -1 3 419.319 3.730 20 0 HHADHM O=C(NCc1ccc(Cn2cnc3ccccc32)cc1)c1cc(=O)c2ccccc2[n-]1 ZINC000061508982 966484892 /nfs/dbraw/zinc/48/48/92/966484892.db2.gz HANVPPLRIDAZDZ-UHFFFAOYSA-N -1 3 408.461 3.856 20 0 HHADHM Cc1noc(C)c1COc1ccc(CC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000038680960 966485593 /nfs/dbraw/zinc/48/55/93/966485593.db2.gz QXAQJTQMRMUMPM-UHFFFAOYSA-N -1 3 404.430 3.881 20 0 HHADHM Cc1noc(C)c1COc1ccc(CC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000038680960 966485599 /nfs/dbraw/zinc/48/55/99/966485599.db2.gz QXAQJTQMRMUMPM-UHFFFAOYSA-N -1 3 404.430 3.881 20 0 HHADHM CCOC(=O)c1[nH]c(C)c(C(=O)O[C@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)c1C ZINC000039193424 966489988 /nfs/dbraw/zinc/48/99/88/966489988.db2.gz WZTASSLYVJAMFO-LLVKDONJSA-N -1 3 417.487 3.641 20 0 HHADHM Cc1c2ccccc2oc1[C@H](C)NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000056904004 966511189 /nfs/dbraw/zinc/51/11/89/966511189.db2.gz HOPHOAVHSRMKLY-INIZCTEOSA-N -1 3 407.470 3.675 20 0 HHADHM Cc1ncc(C[N-]S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)s1 ZINC000040998538 966518733 /nfs/dbraw/zinc/51/87/33/966518733.db2.gz CZHSYGSFDOUFNS-UHFFFAOYSA-N -1 3 416.149 3.999 20 0 HHADHM COc1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1OCc1cccnc1 ZINC000056950638 966527287 /nfs/dbraw/zinc/52/72/87/966527287.db2.gz QNVIAKLGTHLJLB-UHFFFAOYSA-N -1 3 401.422 3.763 20 0 HHADHM O=C(N[C@H]1C[C@H]1c1ccccc1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000062300373 966643815 /nfs/dbraw/zinc/64/38/15/966643815.db2.gz ZDZAGXXHEGRHLK-RXVVDRJESA-N -1 3 410.470 3.912 20 0 HHADHM CC(C)COc1ccccc1CNC(=O)N[N-]C(=O)c1ccccc1Br ZINC000062647493 966721008 /nfs/dbraw/zinc/72/10/08/966721008.db2.gz SPYJHEZFUNAKQL-UHFFFAOYSA-N -1 3 420.307 3.628 20 0 HHADHM CC(C)CCc1noc(CN2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)n1 ZINC000063507355 966878517 /nfs/dbraw/zinc/87/85/17/966878517.db2.gz BMCAJPCUXISLOK-UHFFFAOYSA-N -1 3 406.914 3.868 20 0 HHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000063536038 966884505 /nfs/dbraw/zinc/88/45/05/966884505.db2.gz AQWRZNKWYPSZCP-UHFFFAOYSA-N -1 3 418.284 3.601 20 0 HHADHM C[C@@H](NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1)c1ccccn1 ZINC000043181368 966926534 /nfs/dbraw/zinc/92/65/34/966926534.db2.gz KDWRJZNDGXLASP-CYBMUJFWSA-N -1 3 402.882 3.562 20 0 HHADHM O=C(Cc1nc(COC(=O)c2cc(-c3ccco3)[n-]n2)cs1)Nc1ccccc1 ZINC000063955774 967009106 /nfs/dbraw/zinc/00/91/06/967009106.db2.gz JGZXTBCBUSMTPC-UHFFFAOYSA-N -1 3 408.439 3.664 20 0 HHADHM O=C(Cc1nc(COC(=O)c2cc(-c3ccco3)n[n-]2)cs1)Nc1ccccc1 ZINC000063955774 967009114 /nfs/dbraw/zinc/00/91/14/967009114.db2.gz JGZXTBCBUSMTPC-UHFFFAOYSA-N -1 3 408.439 3.664 20 0 HHADHM O=C(N[N-]C(=O)c1cccc([N+](=O)[O-])c1)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000043784219 967032855 /nfs/dbraw/zinc/03/28/55/967032855.db2.gz AMXNLVXIOJZQHX-FQEVSTJZSA-N -1 3 404.426 3.523 20 0 HHADHM CCN(CC)Cc1ccc(C(=O)[N-]NC(=O)c2sc(-c3ccc(C)o3)nc2C)o1 ZINC000064048898 967034492 /nfs/dbraw/zinc/03/44/92/967034492.db2.gz BSRGJFLGRXHHKE-UHFFFAOYSA-N -1 3 416.503 3.530 20 0 HHADHM C[C@@H](NC(=O)N[N-]C(=O)c1ccccc1Br)c1cc2ccccc2o1 ZINC000043877269 967065783 /nfs/dbraw/zinc/06/57/83/967065783.db2.gz LZGIEBQWNDIOMV-LLVKDONJSA-N -1 3 402.248 3.901 20 0 HHADHM COc1cc2c(cc1OC)C(=N[N-]c1ncc(C(F)(F)F)cc1Cl)C(=O)N2 ZINC000043913275 967072348 /nfs/dbraw/zinc/07/23/48/967072348.db2.gz BEFZQJGUGPXVJX-UHFFFAOYSA-N -1 3 400.744 3.539 20 0 HHADHM O=C(COC(=O)c1csc(-c2ccc(Cl)s2)n1)[N-]C(=O)c1cccs1 ZINC000064206312 967085510 /nfs/dbraw/zinc/08/55/10/967085510.db2.gz AKPJNAYQMFLFKO-UHFFFAOYSA-N -1 3 412.901 3.700 20 0 HHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cc(Cl)c4c(c3)OCCCO4)cc2)n1 ZINC000064374399 967159611 /nfs/dbraw/zinc/15/96/11/967159611.db2.gz LJLAVGFFLHUSOP-UHFFFAOYSA-N -1 3 411.845 3.812 20 0 HHADHM COC(=O)c1sc2[n-]c(CN[C@@H](C)c3ccccc3OC(F)F)nc(=O)c2c1C ZINC000538144885 1013704998 /nfs/dbraw/zinc/70/49/98/1013704998.db2.gz LNZSNDRZSHCSTG-JTQLQIEISA-N -1 3 423.441 3.532 20 0 HHADHM CSC[C@H]1CCCN(C(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)C1 ZINC000553925384 1013705593 /nfs/dbraw/zinc/70/55/93/1013705593.db2.gz OXSDNEKKYMUHPU-NSHDSACASA-N -1 3 400.422 3.642 20 0 HHADHM O=C(CCSc1ccc(F)cc1)N[N-]C(=O)c1cnn(-c2ccccc2Cl)c1 ZINC000064485608 967210223 /nfs/dbraw/zinc/21/02/23/967210223.db2.gz LXKFDVRMLBAAMP-UHFFFAOYSA-N -1 3 418.881 3.608 20 0 HHADHM Cc1cc(F)ccc1NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000044673432 967272610 /nfs/dbraw/zinc/27/26/10/967272610.db2.gz DHHYJGNJXOGWGL-UHFFFAOYSA-N -1 3 405.278 3.748 20 0 HHADHM Cc1cc(/C=C(/C#N)C(=O)N[N-]C(=O)c2ccc3ccccc3n2)c(C)n1CC(C)C ZINC000064720824 967275312 /nfs/dbraw/zinc/27/53/12/967275312.db2.gz NNOPAVQSCXYUPG-NDENLUEZSA-N -1 3 415.497 3.677 20 0 HHADHM O=C([N-]NC(=O)c1[nH]c2ccc(F)cc2c1Cl)c1ccccc1Br ZINC000044821172 967296854 /nfs/dbraw/zinc/29/68/54/967296854.db2.gz ASFSUPIJYJCXAB-UHFFFAOYSA-N -1 3 410.630 3.798 20 0 HHADHM CCn1cc(C(=O)N[N-]C(=O)c2ccc(F)cc2Br)c2ccccc21 ZINC000064835529 967306485 /nfs/dbraw/zinc/30/64/85/967306485.db2.gz XNCCBWHXFZXLBR-UHFFFAOYSA-N -1 3 404.239 3.638 20 0 HHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)CCCn2cccn2)cc1 ZINC000064933765 967329357 /nfs/dbraw/zinc/32/93/57/967329357.db2.gz ZKRNIAPBSYHGLA-UHFFFAOYSA-N -1 3 412.515 3.720 20 0 HHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)NCCc2cccc(F)c2)CC1 ZINC000045132379 967360120 /nfs/dbraw/zinc/36/01/20/967360120.db2.gz HZXQPDNPPGNFRE-UHFFFAOYSA-N -1 3 419.884 3.788 20 0 HHADHM COc1ccccc1N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000065160076 967396122 /nfs/dbraw/zinc/39/61/22/967396122.db2.gz FSGUKWKTPDRXDQ-UHFFFAOYSA-N -1 3 414.458 3.912 20 0 HHADHM CC[C@H](NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccc(Cl)cc1 ZINC000045404862 967451512 /nfs/dbraw/zinc/45/15/12/967451512.db2.gz UJCWXWIJTLUWSE-IBGZPJMESA-N -1 3 401.894 3.664 20 0 HHADHM CCCOc1ccc(NC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)cc1Cl ZINC000065503483 967496789 /nfs/dbraw/zinc/49/67/89/967496789.db2.gz CAUQGNPXDXYZPV-UHFFFAOYSA-N -1 3 412.877 3.764 20 0 HHADHM C[C@H]([N-]S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl)c1cc2ccccc2o1 ZINC000045742206 967546429 /nfs/dbraw/zinc/54/64/29/967546429.db2.gz FKIGKQFTVCAJFX-NSHDSACASA-N -1 3 413.904 3.529 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CC[C@H]3CC)ccc2C)cc1 ZINC000553970569 1013730282 /nfs/dbraw/zinc/73/02/82/1013730282.db2.gz AOIBUVALFYHOOW-GOSISDBHSA-N -1 3 402.516 3.819 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C3(c4ccccc4)CCOCC3)c2)n1 ZINC000046067401 967651198 /nfs/dbraw/zinc/65/11/98/967651198.db2.gz XGLXVDDRGMIQIW-UHFFFAOYSA-N -1 3 403.482 3.686 20 0 HHADHM CCc1c(C(=O)Nc2cccc(-c3nc(CC)cc(=O)[n-]3)c2)cnn1-c1ccccc1 ZINC000046066804 967651256 /nfs/dbraw/zinc/65/12/56/967651256.db2.gz VSEQYAJGKNNPEB-UHFFFAOYSA-N -1 3 413.481 4.000 20 0 HHADHM COc1ccc(C)cc1NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000046081467 967655754 /nfs/dbraw/zinc/65/57/54/967655754.db2.gz ULPJCBUFAXWGTD-UHFFFAOYSA-N -1 3 417.314 3.618 20 0 HHADHM Cc1ccccc1CNc1ccc(C(=O)OCC(=O)[N-]C(=O)c2cccs2)cc1 ZINC000046450864 967805784 /nfs/dbraw/zinc/80/57/84/967805784.db2.gz ORWBRDHPGHKNSA-UHFFFAOYSA-N -1 3 408.479 3.782 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)OCC(=O)C1CCCCC1 ZINC000046451912 967806628 /nfs/dbraw/zinc/80/66/28/967806628.db2.gz GHOGZCFMKXHRTM-NRFANRHFSA-N -1 3 409.482 3.946 20 0 HHADHM O=c1nc(CS(=O)(=O)c2ccc(Cl)cc2)[n-]c2sc3c(c21)CCCCC3 ZINC000046703422 967928994 /nfs/dbraw/zinc/92/89/94/967928994.db2.gz GSOWTAFXPWXJDU-UHFFFAOYSA-N -1 3 408.932 3.881 20 0 HHADHM Cc1ccc(S(=O)(=O)Nc2ccc([N-]S(=O)(=O)c3cccc(C)c3)cc2)cc1 ZINC000047215267 968091430 /nfs/dbraw/zinc/09/14/30/968091430.db2.gz PGLUUOMHCORBQN-UHFFFAOYSA-N -1 3 416.524 3.905 20 0 HHADHM Cc1nc2cc(NC(=O)c3cc(S(=O)(=O)[N-]c4ccccc4F)c[nH]3)ccc2o1 ZINC000047270596 968113826 /nfs/dbraw/zinc/11/38/26/968113826.db2.gz JONLDPRDNOQKEH-UHFFFAOYSA-N -1 3 414.418 3.657 20 0 HHADHM CCCn1nccc1NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000047391704 968171445 /nfs/dbraw/zinc/17/14/45/968171445.db2.gz WGQWQBBNZAOKNJ-UHFFFAOYSA-N -1 3 405.886 3.535 20 0 HHADHM CC(C)COc1ccc(S(=O)(=O)[N-]c2ccc(Sc3nncn3C)cc2)cc1 ZINC000047454366 968202159 /nfs/dbraw/zinc/20/21/59/968202159.db2.gz JFZVTKKIUYHBGQ-UHFFFAOYSA-N -1 3 418.544 3.802 20 0 HHADHM CCc1cc2c(CN3CCC(NC(=O)OC(C)(C)C)CC3)cc(=O)oc2cc1[O-] ZINC000047539899 968227846 /nfs/dbraw/zinc/22/78/46/968227846.db2.gz JPOOJSKUMTVEBU-UHFFFAOYSA-N -1 3 402.491 3.550 20 0 HHADHM O=C([N-]NC(=O)c1ccc2ccccc2n1)c1ccc(Br)cc1Cl ZINC000048314219 968518772 /nfs/dbraw/zinc/51/87/72/968518772.db2.gz JJZLATBZKJEVFZ-UHFFFAOYSA-N -1 3 404.651 3.726 20 0 HHADHM O=C([N-]NC(=O)c1ccc(Br)cc1Cl)c1ccc2ccccc2n1 ZINC000048314219 968518780 /nfs/dbraw/zinc/51/87/80/968518780.db2.gz JJZLATBZKJEVFZ-UHFFFAOYSA-N -1 3 404.651 3.726 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N(Cc2cccc(F)c2)C2CC2)cc1OC ZINC000065815947 968658806 /nfs/dbraw/zinc/65/88/06/968658806.db2.gz PMJXJZGWDIDHCZ-UHFFFAOYSA-N -1 3 421.494 3.792 20 0 HHADHM C=CCOc1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)c1 ZINC000065878463 968696978 /nfs/dbraw/zinc/69/69/78/968696978.db2.gz UPQPFLWYYNBFRJ-UHFFFAOYSA-N -1 3 406.479 3.720 20 0 HHADHM Cc1c(=O)c2cccc(C(=O)[N-]NC(=O)NC3CCCC3)c2oc1-c1ccccc1 ZINC000065920976 968714167 /nfs/dbraw/zinc/71/41/67/968714167.db2.gz NYLGWYMFJDWNQP-UHFFFAOYSA-N -1 3 405.454 3.655 20 0 HHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N(C)CCOc3ccccc3)nc(=O)c2c1C ZINC000069056974 968809812 /nfs/dbraw/zinc/80/98/12/968809812.db2.gz WTTKPDOIHGUQJN-CQSZACIVSA-N -1 3 415.515 3.542 20 0 HHADHM O=C(COc1ccc(I)cc1)Nc1cc(Cl)ccc1[O-] ZINC000069693426 968844210 /nfs/dbraw/zinc/84/42/10/968844210.db2.gz IHXHKLWNANSJPF-UHFFFAOYSA-N -1 3 403.603 3.668 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)cc1OC ZINC000072005616 968927683 /nfs/dbraw/zinc/92/76/83/968927683.db2.gz KMEDLUHJCWRELD-CABCVRRESA-N -1 3 408.907 3.852 20 0 HHADHM CCOc1cccc([C@@H]2C[C@@H]2NC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000538302917 1013837025 /nfs/dbraw/zinc/83/70/25/1013837025.db2.gz QRFQECZQXFSCJM-RDJZCZTQSA-N -1 3 405.292 3.909 20 0 HHADHM O=c1[n-]nc(SCc2nn(-c3ccccc3)c3c2CCC3)n1CCc1ccccc1 ZINC000072052218 968960421 /nfs/dbraw/zinc/96/04/21/968960421.db2.gz KINDXJFHYCJRDN-UHFFFAOYSA-N -1 3 417.538 3.781 20 0 HHADHM Cc1ccc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])cc1NS(C)(=O)=O ZINC000072075599 968975560 /nfs/dbraw/zinc/97/55/60/968975560.db2.gz UEVFNCJOQKSACK-UHFFFAOYSA-N -1 3 410.495 3.915 20 0 HHADHM COCCOc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(N)c(Cl)c2)cc1C ZINC000106089346 969288799 /nfs/dbraw/zinc/28/87/99/969288799.db2.gz PGHRPGGXHQJBLM-UHFFFAOYSA-N -1 3 405.303 3.710 20 0 HHADHM Cc1ccc(Sc2ncccc2C(=O)NCCNC(=O)c2ccc([O-])cc2)c(C)c1 ZINC000108258244 969367847 /nfs/dbraw/zinc/36/78/47/969367847.db2.gz DBKXVFQPQYYMAN-UHFFFAOYSA-N -1 3 421.522 3.715 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)CCC(=O)c2cc(C)ccc2C)cc1OC ZINC000108579613 969396639 /nfs/dbraw/zinc/39/66/39/969396639.db2.gz YAJKDPBNWGEJGJ-UHFFFAOYSA-N -1 3 418.515 3.675 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@@H](C)c2ccc(F)cc2F)cc1OC ZINC000109196682 969477042 /nfs/dbraw/zinc/47/70/42/969477042.db2.gz HMWJWDZSTHGDCV-NSHDSACASA-N -1 3 413.446 3.618 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@@H](c2ccccc2)C2CC2)cc1OC ZINC000109196879 969477171 /nfs/dbraw/zinc/47/71/71/969477171.db2.gz DZCRUCFZRQTATG-IBGZPJMESA-N -1 3 403.504 3.730 20 0 HHADHM O=S(=O)([N-]Cc1cccc(OC(F)F)c1)c1cc(Br)ccc1F ZINC000109816972 969570558 /nfs/dbraw/zinc/57/05/58/969570558.db2.gz DWXGJCBFUHUUGC-UHFFFAOYSA-N -1 3 410.211 3.668 20 0 HHADHM COc1ccc(-c2nc([N-]C(=O)c3cnc(-c4ccccc4)s3)n[nH]2)c(OC)c1 ZINC000109840146 969575048 /nfs/dbraw/zinc/57/50/48/969575048.db2.gz QLXHMGDGSHALHW-UHFFFAOYSA-N -1 3 407.455 3.865 20 0 HHADHM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl)N(C)C1CC1 ZINC000110731315 969715243 /nfs/dbraw/zinc/71/52/43/969715243.db2.gz CTWNGHXYIPDBRR-QMMMGPOBSA-N -1 3 416.168 3.517 20 0 HHADHM O=S(=O)([N-]CCCc1nc(-c2ccncc2)cs1)c1ccc(Cl)cc1F ZINC000110797921 969724547 /nfs/dbraw/zinc/72/45/47/969724547.db2.gz JDVUNBKSABDOLS-UHFFFAOYSA-N -1 3 411.911 3.909 20 0 HHADHM Cc1c(C(=O)Nc2cc(Cl)ccc2[O-])nnn1-c1cccc(Br)c1 ZINC000111211310 969804260 /nfs/dbraw/zinc/80/42/60/969804260.db2.gz YFFCUWNLSUSBEG-UHFFFAOYSA-N -1 3 407.655 3.950 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C)c3ccc(NC(=O)C4CC4)cc3)nc2)n1 ZINC000111221989 969809268 /nfs/dbraw/zinc/80/92/68/969809268.db2.gz XEMOLABPBMBVLQ-CQSZACIVSA-N -1 3 403.486 3.916 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(NCC3(c4ccc(OC)cc4)CCOCC3)nc2)n1 ZINC000111228312 969811703 /nfs/dbraw/zinc/81/17/03/969811703.db2.gz CGLXTCVWAYYHFR-UHFFFAOYSA-N -1 3 420.513 3.563 20 0 HHADHM Cc1nc(NC(=O)c2cc(S(=O)(=O)[N-]C3CC3)c(Cl)cc2Cl)sc1C ZINC000115123649 969831408 /nfs/dbraw/zinc/83/14/08/969831408.db2.gz ZYEVHDYMCOYWMG-UHFFFAOYSA-N -1 3 420.343 3.760 20 0 HHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)/C=C/c2cnccn2)cc1 ZINC000115881634 969858970 /nfs/dbraw/zinc/85/89/70/969858970.db2.gz IUJLUVVZWVQFSH-DHZHZOJOSA-N -1 3 408.483 3.546 20 0 HHADHM COCCCN(C)C(=O)c1ccc(C)c([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000116000254 969867227 /nfs/dbraw/zinc/86/72/27/969867227.db2.gz AGNVVKRHIHUEOM-UHFFFAOYSA-N -1 3 418.559 3.830 20 0 HHADHM COc1ccc(C(=O)NC2(c3ccc(Br)cc3)CCOCC2)c([O-])c1 ZINC000195644228 969929596 /nfs/dbraw/zinc/92/95/96/969929596.db2.gz SOOQQQVDHUWTLQ-UHFFFAOYSA-N -1 3 406.276 3.599 20 0 HHADHM Cc1ccc(S(=O)(=O)N(C(=O)c2ccccc2[N+](=O)[O-])c2ccc([O-])cc2)s1 ZINC000138126029 969982823 /nfs/dbraw/zinc/98/28/23/969982823.db2.gz HTRISALIAWHAMS-UHFFFAOYSA-N -1 3 418.452 3.706 20 0 HHADHM CSc1nc(C(=O)O[C@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)c2ccccn12 ZINC000140337740 970073028 /nfs/dbraw/zinc/07/30/28/970073028.db2.gz VCWWYDPZCLVNEW-SNVBAGLBSA-N -1 3 414.512 3.889 20 0 HHADHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H](CC)CO)c2)cc1 ZINC000216549877 970077902 /nfs/dbraw/zinc/07/79/02/970077902.db2.gz XJMWGZOPFCULQR-SFHVURJKSA-N -1 3 418.559 3.639 20 0 HHADHM Cc1noc(C)c1CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C ZINC000140470774 970077964 /nfs/dbraw/zinc/07/79/64/970077964.db2.gz LETFRUIBHNLPJV-UHFFFAOYSA-N -1 3 413.499 3.639 20 0 HHADHM Cn1cc(C(=O)[N-]c2nnc(SCc3cccs3)s2)c(C(F)(F)F)n1 ZINC000142156032 970143578 /nfs/dbraw/zinc/14/35/78/970143578.db2.gz AXNQHRRQVWEALG-UHFFFAOYSA-N -1 3 405.452 3.897 20 0 HHADHM CC(C)c1nc(COC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)no1 ZINC000144118988 970221529 /nfs/dbraw/zinc/22/15/29/970221529.db2.gz SJNNMPIGZUERFW-SFHVURJKSA-N -1 3 409.442 3.503 20 0 HHADHM Cc1ccc(Br)c([N-]S(=O)(=O)c2cncc(Br)c2)c1 ZINC000164040036 970445948 /nfs/dbraw/zinc/44/59/48/970445948.db2.gz YUVMCUQWBOJBCF-UHFFFAOYSA-N -1 3 406.099 3.716 20 0 HHADHM CC(=O)Nc1ccc([O-])c(C(=O)NCC(C)(C)c2cccc(Br)c2)c1 ZINC000261384708 970640051 /nfs/dbraw/zinc/64/00/51/970640051.db2.gz IUKLKQMCJVNEBQ-UHFFFAOYSA-N -1 3 405.292 3.821 20 0 HHADHM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c(F)cc1F ZINC000261388389 970645106 /nfs/dbraw/zinc/64/51/06/970645106.db2.gz LRWKXXSWMCLAIO-UHFFFAOYSA-N -1 3 412.311 3.882 20 0 HHADHM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000303966692 972552431 /nfs/dbraw/zinc/55/24/31/972552431.db2.gz QMHXFZZOOQAKKS-LJQANCHMSA-N -1 3 418.534 3.668 20 0 HHADHM C[C@H]([N-]S(=O)(=O)c1cc(Br)cnc1Cl)c1cc(F)ccc1F ZINC000385973898 972796650 /nfs/dbraw/zinc/79/66/50/972796650.db2.gz BUHSAIGDTMEUTD-ZETCQYMHSA-N -1 3 411.655 3.815 20 0 HHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cc(Cl)cc(Br)c1 ZINC000389538210 972814057 /nfs/dbraw/zinc/81/40/57/972814057.db2.gz DXBMQVQKLVZIRS-UHFFFAOYSA-N -1 3 403.685 3.726 20 0 HHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CC2(N3CCOCC3)CCCCC2)c1Cl ZINC000410013176 973494445 /nfs/dbraw/zinc/49/44/45/973494445.db2.gz SILCEXUXGZMGCB-UHFFFAOYSA-N -1 3 421.390 3.615 20 0 HHADHM Cn1ncc2c1ncc(C(=O)N1CCC(F)(c3ccccc3C(F)(F)F)CC1)c2[O-] ZINC000410094328 973566755 /nfs/dbraw/zinc/56/67/55/973566755.db2.gz INFBDICWNBZNFF-UHFFFAOYSA-N -1 3 422.382 3.794 20 0 HHADHM COc1cccc(Cc2nnc([N-]C(=O)c3ccc(Br)s3)s2)c1 ZINC000410292874 973825482 /nfs/dbraw/zinc/82/54/82/973825482.db2.gz SWEHLXCNWAUUKA-UHFFFAOYSA-N -1 3 410.318 4.214 20 0 HHADHM Cc1cccc2oc(CC[N-]S(=O)(=O)c3cc(F)ccc3Br)nc21 ZINC000410324517 973878799 /nfs/dbraw/zinc/87/87/99/973878799.db2.gz SOOVBHGEWNWGPO-UHFFFAOYSA-N -1 3 413.268 3.559 20 0 HHADHM C[C@H]1CC[C@@](CNCc2ncc(Br)cc2Br)(CC(=O)[O-])C1 ZINC000426631701 974573424 /nfs/dbraw/zinc/57/34/24/974573424.db2.gz YYNMKDKSLHASRW-BONVTDFDSA-N -1 3 420.145 3.977 20 0 HHADHM COc1cc(CNCc2ccccc2CC(=O)[O-])ccc1OCc1c(C)noc1C ZINC000426714149 974611382 /nfs/dbraw/zinc/61/13/82/974611382.db2.gz LMYSSXBDKYRINC-UHFFFAOYSA-N -1 3 410.470 3.796 20 0 HHADHM Cc1ccc(CN[C@H](CN2CCCc3ccccc32)C(=O)[O-])c(Br)c1 ZINC000426734761 974623615 /nfs/dbraw/zinc/62/36/15/974623615.db2.gz BIERCYXOTZHTBU-GOSISDBHSA-N -1 3 403.320 3.753 20 0 HHADHM Cn1c(CN[C@H](CSCCc2ccccc2)C(=O)[O-])nc2cc(Cl)ccc21 ZINC000426740178 974627391 /nfs/dbraw/zinc/62/73/91/974627391.db2.gz HDCFULKIWIKIHG-QGZVFWFLSA-N -1 3 403.935 3.745 20 0 HHADHM COc1ccc([C@H](CC(=O)[O-])NCc2ccc(Br)c(F)c2)cc1OC ZINC000426775673 974651618 /nfs/dbraw/zinc/65/16/18/974651618.db2.gz UEDFHYNZXOYNHQ-HNNXBMFYSA-N -1 3 412.255 3.911 20 0 HHADHM O=C([O-])[C@H](NCc1ccc(OC(F)F)c(Br)c1)c1ccc(O)cc1 ZINC000426781689 974654855 /nfs/dbraw/zinc/65/48/55/974654855.db2.gz CSCWGTARVHZEQL-CQSZACIVSA-N -1 3 402.191 3.672 20 0 HHADHM COc1ccccc1[C@H](NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1)C(=O)[O-] ZINC000426786687 974659320 /nfs/dbraw/zinc/65/93/20/974659320.db2.gz XLQHXACPOKFHEX-SFHVURJKSA-N -1 3 405.376 3.815 20 0 HHADHM CCCOc1c(Br)cc(CN[C@@H](C(=O)[O-])c2ccc(O)cc2)cc1OC ZINC000426791621 974662583 /nfs/dbraw/zinc/66/25/83/974662583.db2.gz JDRRITUZOYRCSD-QGZVFWFLSA-N -1 3 424.291 3.868 20 0 HHADHM O=C([O-])[C@H](NCc1ccc(Br)c(Br)c1)c1ccc(O)cc1 ZINC000426807609 974675808 /nfs/dbraw/zinc/67/58/08/974675808.db2.gz IEMTVFSBOJGXLT-CQSZACIVSA-N -1 3 415.081 3.833 20 0 HHADHM O=C([O-])C[C@H](NCc1ccc(N2CCCC2)nc1)c1cccc(Br)c1 ZINC000426835758 974700283 /nfs/dbraw/zinc/70/02/83/974700283.db2.gz SALCAOPDQZWDFT-KRWDZBQOSA-N -1 3 404.308 3.750 20 0 HHADHM Cc1cnc([C@@H](C)NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)s1 ZINC000427050535 974857570 /nfs/dbraw/zinc/85/75/70/974857570.db2.gz ZPGIDNXJMIMORS-CYBMUJFWSA-N -1 3 419.503 3.882 20 0 HHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)[C@@H](Oc1ccc(F)c(F)c1)c1ccccc1 ZINC000427064474 974870024 /nfs/dbraw/zinc/87/00/24/974870024.db2.gz LXFJYSZEKKDTRI-NRFANRHFSA-N -1 3 421.407 3.828 20 0 HHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)[C@@H](Oc1ccc(F)c(F)c1)c1ccccc1 ZINC000427064474 974870032 /nfs/dbraw/zinc/87/00/32/974870032.db2.gz LXFJYSZEKKDTRI-NRFANRHFSA-N -1 3 421.407 3.828 20 0 HHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1c2c(sc1-n1cccc1)CSCC2 ZINC000427078305 974883718 /nfs/dbraw/zinc/88/37/18/974883718.db2.gz DCKONSJJYIKYOH-UHFFFAOYSA-N -1 3 422.539 3.684 20 0 HHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1c2c(sc1-n1cccc1)CSCC2 ZINC000427078305 974883721 /nfs/dbraw/zinc/88/37/21/974883721.db2.gz DCKONSJJYIKYOH-UHFFFAOYSA-N -1 3 422.539 3.684 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCC3(C)CCC3)c2)cc1 ZINC000427198008 974972337 /nfs/dbraw/zinc/97/23/37/974972337.db2.gz MUUXXDPWTOGZSN-UHFFFAOYSA-N -1 3 402.516 3.724 20 0 HHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cccc(NC(=O)C2CCCCC2)c1 ZINC000427450027 975124927 /nfs/dbraw/zinc/12/49/27/975124927.db2.gz JXFCKDYKCNMNAW-UHFFFAOYSA-N -1 3 400.504 3.984 20 0 HHADHM Cc1cc(-c2noc([C@H](C)[N-]S(=O)(=O)C[C@@H](C)c3ccccc3)n2)ccc1F ZINC000427793202 975291981 /nfs/dbraw/zinc/29/19/81/975291981.db2.gz CJFFAFAFYZYQFW-CABCVRRESA-N -1 3 403.479 3.968 20 0 HHADHM O=C(NCc1ccc([O-])c(F)c1)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000427945223 975361672 /nfs/dbraw/zinc/36/16/72/975361672.db2.gz GBRDUUAFEAFNQA-GOSISDBHSA-N -1 3 413.276 3.528 20 0 HHADHM C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCC[C@@H]1C(=O)NCc1ccc([O-])c(F)c1 ZINC000427953191 975364587 /nfs/dbraw/zinc/36/45/87/975364587.db2.gz XDRFSAPYCPIAHW-AYOQOUSVSA-N -1 3 410.489 3.932 20 0 HHADHM CC(C)c1nnc(C[N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)s1 ZINC000428402169 975722417 /nfs/dbraw/zinc/72/24/17/975722417.db2.gz RMTLBGOFJJNRKV-UHFFFAOYSA-N -1 3 410.746 3.556 20 0 HHADHM CCOC(=O)[C@H](NCc1cc([O-])cc(F)c1)c1ccc(OC)c(Br)c1 ZINC000428414948 975734160 /nfs/dbraw/zinc/73/41/60/975734160.db2.gz SJSHPEOURPOPAJ-QGZVFWFLSA-N -1 3 412.255 3.696 20 0 HHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCc3ccncc3C)c2)cc1 ZINC000428728019 976013838 /nfs/dbraw/zinc/01/38/38/976013838.db2.gz DCEFPTSEHHMYPZ-UHFFFAOYSA-N -1 3 409.511 3.738 20 0 HHADHM CCN(C(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O)[C@@H](C)Cc1ccsc1 ZINC000428858804 976148097 /nfs/dbraw/zinc/14/80/97/976148097.db2.gz FOWPCITXVDYJOG-HNNXBMFYSA-N -1 3 410.543 3.614 20 0 HHADHM Cc1cc(C(=O)[N-]c2nnc(SCc3cccs3)s2)nc(C(F)(F)F)n1 ZINC000429022231 976304636 /nfs/dbraw/zinc/30/46/36/976304636.db2.gz SOAVTGDEFHTSED-UHFFFAOYSA-N -1 3 417.463 4.261 20 0 HHADHM O=S(=O)([N-]CCSCC(F)(F)F)c1cc(Cl)ccc1Br ZINC000429870972 977145128 /nfs/dbraw/zinc/14/51/28/977145128.db2.gz YMPOACIAGZSZJZ-UHFFFAOYSA-N -1 3 412.680 3.676 20 0 HHADHM O=S(=O)([N-]C[C@@H]1CCOc2ccccc21)c1cc(Cl)ccc1Br ZINC000429873434 977147941 /nfs/dbraw/zinc/14/79/41/977147941.db2.gz QUYFQNBFXFQQJZ-NSHDSACASA-N -1 3 416.724 3.947 20 0 HHADHM Cc1csc([C@H](C)C[N-]S(=O)(=O)c2cc(Cl)ccc2Br)n1 ZINC000429892285 977168187 /nfs/dbraw/zinc/16/81/87/977168187.db2.gz UDKLWTQUGUPIMN-MRVPVSSYSA-N -1 3 409.758 3.949 20 0 HHADHM C[C@@H]1C[C@]2(CCO1)CN(Cc1nc(=O)c3c(-c4ccco4)csc3[n-]1)C[C@H](C)O2 ZINC000430263592 977431129 /nfs/dbraw/zinc/43/11/29/977431129.db2.gz YGSKISLLLWZNLS-HKZYLEAXSA-N -1 3 415.515 3.815 20 0 HHADHM CC[C@@H]1CN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)C[C@@H](C)O1 ZINC000430556010 977630151 /nfs/dbraw/zinc/63/01/51/977630151.db2.gz PULYNKZRXUAQRA-MWLCHTKSSA-N -1 3 413.699 3.584 20 0 HHADHM CC[C@@H](NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O)c1ncc[nH]1 ZINC000430562631 977632448 /nfs/dbraw/zinc/63/24/48/977632448.db2.gz FOZQFSCTOQIPPM-GFCCVEGCSA-N -1 3 409.671 3.548 20 0 HHADHM C[C@H](NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O)[C@@H]1CCCCO1 ZINC000430569828 977636913 /nfs/dbraw/zinc/63/69/13/977636913.db2.gz JDOHXJPWCLNGJI-XPTSAGLGSA-N -1 3 413.699 3.631 20 0 HHADHM C[C@H]1CSCCN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)C1 ZINC000430614660 977656051 /nfs/dbraw/zinc/65/60/51/977656051.db2.gz ZQVADJRXPNIUQO-SECBINFHSA-N -1 3 415.740 3.769 20 0 HHADHM CN(CC[C@H]1CCCO1)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430621021 977657977 /nfs/dbraw/zinc/65/79/77/977657977.db2.gz CPUWRXQCZHVOHP-LLVKDONJSA-N -1 3 413.699 3.585 20 0 HHADHM O=C(Nc1cc(-c2ccncc2)[nH]n1)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430637722 977662809 /nfs/dbraw/zinc/66/28/09/977662809.db2.gz LVLRHPUUXVYLRR-UHFFFAOYSA-N -1 3 423.432 4.358 20 0 HHADHM O=C([N-]c1ccccc1S(=O)(=O)N1CCCCC1)c1ncsc1C(F)(F)F ZINC000430712241 977707283 /nfs/dbraw/zinc/70/72/83/977707283.db2.gz GYMRHHLNKXGVNE-UHFFFAOYSA-N -1 3 419.450 3.589 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccc(OC(C)(C)C)cc2)cc1OC ZINC000430726234 977713857 /nfs/dbraw/zinc/71/38/57/977713857.db2.gz USDNZMFFVJJQPZ-UHFFFAOYSA-N -1 3 406.504 3.886 20 0 HHADHM COC(=O)c1sc2[n-]c(CN3c4ccccc4SC[C@@H]3C)nc(=O)c2c1C ZINC000430998530 977944391 /nfs/dbraw/zinc/94/43/91/977944391.db2.gz CEJPJGWLLBMRBL-JTQLQIEISA-N -1 3 401.513 3.580 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)NC3(c4ccc5c(c4)OCO5)CC3)cc2)cc(=O)[n-]1 ZINC000431379893 978254073 /nfs/dbraw/zinc/25/40/73/978254073.db2.gz ZOUPKERZNDUYLD-UHFFFAOYSA-N -1 3 404.426 3.697 20 0 HHADHM CCCc1c(NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cnn1-c1ccccc1C ZINC000431589677 978371523 /nfs/dbraw/zinc/37/15/23/978371523.db2.gz LGAGMKXYSFDDCI-UHFFFAOYSA-N -1 3 403.442 3.661 20 0 HHADHM O=c1nc(CN2CCn3c(nnc3C3CCCC3)C2)[n-]c2scc(-c3ccco3)c21 ZINC000432016068 978646620 /nfs/dbraw/zinc/64/66/20/978646620.db2.gz VRFPKDACHNORCJ-UHFFFAOYSA-N -1 3 422.514 3.922 20 0 HHADHM C[C@H]([N-]S(=O)(=O)c1ccc2c(c1)CCCC2=O)c1nc(C2CCCCC2)no1 ZINC000432234283 978724929 /nfs/dbraw/zinc/72/49/29/978724929.db2.gz XMTIFOVFEOGCSS-ZDUSSCGKSA-N -1 3 403.504 3.676 20 0 HHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N(C)Cc1ccc(F)c(Cl)c1 ZINC000432264275 978734606 /nfs/dbraw/zinc/73/46/06/978734606.db2.gz WIGOTANJOSLVDX-UHFFFAOYSA-N -1 3 400.841 3.546 20 0 HHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CCC2CC(OC(C)(C)C)C2)cc1Cl ZINC000432302582 978752886 /nfs/dbraw/zinc/75/28/86/978752886.db2.gz NCOFNDSBTBGYCI-UHFFFAOYSA-N -1 3 420.934 3.700 20 0 HHADHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]CC[C@@H](c1ccccc1)C(F)(F)F ZINC000432308514 978755450 /nfs/dbraw/zinc/75/54/50/978755450.db2.gz SJVPDYOLIXFMCM-ZDUSSCGKSA-N -1 3 419.421 3.643 20 0 HHADHM CC(C)(C)OC1CC(CC[N-]S(=O)(=O)c2ccc(Br)cc2F)C1 ZINC000432314340 978757248 /nfs/dbraw/zinc/75/72/48/978757248.db2.gz NTWGNTURSUSDRA-UHFFFAOYSA-N -1 3 408.333 3.850 20 0 HHADHM COC(=O)c1cc([N-]C(=O)c2cc(-c3ccccn3)no2)cc(Br)c1F ZINC000432361320 978777756 /nfs/dbraw/zinc/77/77/56/978777756.db2.gz DAGQDFADGRQEAU-UHFFFAOYSA-N -1 3 420.194 3.677 20 0 HHADHM Cc1ccc(-c2csc3[n-]c(Cn4c(=O)onc4-c4ccncc4)nc(=O)c23)s1 ZINC000432548713 978879691 /nfs/dbraw/zinc/87/96/91/978879691.db2.gz FIAZWZUCIAICOJ-UHFFFAOYSA-N -1 3 423.479 3.694 20 0 HHADHM CCOC(=O)c1ccc(C(=O)[N-]c2nnc([C@@H]3CCCc4ccccc43)s2)nc1C ZINC000432597029 978905898 /nfs/dbraw/zinc/90/58/98/978905898.db2.gz KDVXTHDZCHKAGQ-QGZVFWFLSA-N -1 3 422.510 4.139 20 0 HHADHM Cn1nc(C(=O)[N-]c2nnc([C@H]3CCCc4ccccc43)s2)cc1OC(F)F ZINC000432627830 978916266 /nfs/dbraw/zinc/91/62/66/978916266.db2.gz WPIZFEWQPNNBLS-LBPRGKRZSA-N -1 3 405.430 3.594 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(C)=O)cc1Cl ZINC000432770183 978968794 /nfs/dbraw/zinc/96/87/94/978968794.db2.gz FQGFZNNZQKLENJ-UHFFFAOYSA-N -1 3 408.907 3.757 20 0 HHADHM CCOC(=O)COc1cccc([N-]S(=O)(=O)c2cc(C(C)C)c(OC)cc2C)c1 ZINC000432773042 978970250 /nfs/dbraw/zinc/97/02/50/978970250.db2.gz ZDHBBSOXVCLVBS-UHFFFAOYSA-N -1 3 421.515 3.870 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(C)(C)C(N)=O)cc2)cc1C(C)C ZINC000432780386 978972837 /nfs/dbraw/zinc/97/28/37/978972837.db2.gz KISGIKKVZSRTPH-UHFFFAOYSA-N -1 3 404.532 3.691 20 0 HHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cc(C(F)(F)F)ccc1Br ZINC000432922836 979012828 /nfs/dbraw/zinc/01/28/28/979012828.db2.gz PPCLXUONUBMWQO-UHFFFAOYSA-N -1 3 403.080 3.857 20 0 HHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cc(C(F)(F)F)ccc1Br ZINC000432922836 979012832 /nfs/dbraw/zinc/01/28/32/979012832.db2.gz PPCLXUONUBMWQO-UHFFFAOYSA-N -1 3 403.080 3.857 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@H](CN(CC)CC(F)(F)F)C3)nc2)n1 ZINC000433426505 979296041 /nfs/dbraw/zinc/29/60/41/979296041.db2.gz AEDOUNRCRUEJCK-CQSZACIVSA-N -1 3 409.456 3.517 20 0 HHADHM CCC[C@@H](NC(=O)c1cc(S(=O)(=O)[N-]C)oc1C)c1cccc(C(F)(F)F)c1 ZINC000433954598 979713877 /nfs/dbraw/zinc/71/38/77/979713877.db2.gz VIWMNODNPKKLHD-OAHLLOKOSA-N -1 3 418.437 3.786 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2nc(-c3ccc(C)s3)c(C)s2)c(C)o1 ZINC000433995647 979743788 /nfs/dbraw/zinc/74/37/88/979743788.db2.gz VOBYKXJVSCDOCG-UHFFFAOYSA-N -1 3 411.530 3.550 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CCCC2)c(C)o1 ZINC000434008578 979755432 /nfs/dbraw/zinc/75/54/32/979755432.db2.gz ORICBZRCKREQTH-GOSISDBHSA-N -1 3 410.923 3.811 20 0 HHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)[C@H](c1c(F)cccc1Cl)N1CCCCC1 ZINC000434068706 979809634 /nfs/dbraw/zinc/80/96/34/979809634.db2.gz SJIRAKFWAXHJHK-SFHVURJKSA-N -1 3 414.872 3.825 20 0 HHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)[C@H](c1c(F)cccc1Cl)N1CCCCC1 ZINC000434068706 979809637 /nfs/dbraw/zinc/80/96/37/979809637.db2.gz SJIRAKFWAXHJHK-SFHVURJKSA-N -1 3 414.872 3.825 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)c(C)o1 ZINC000434094701 979843033 /nfs/dbraw/zinc/84/30/33/979843033.db2.gz ZLSBKCYNQLGHFC-UHFFFAOYSA-N -1 3 400.456 3.849 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(Oc3cccc(OC)c3)cc2)c(C)o1 ZINC000434189845 979955193 /nfs/dbraw/zinc/95/51/93/979955193.db2.gz FRWAWSIUOSNJLZ-UHFFFAOYSA-N -1 3 416.455 3.549 20 0 HHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N(C)Cc1cc(Cl)ccc1F ZINC000434346447 980108106 /nfs/dbraw/zinc/10/81/06/980108106.db2.gz KIXNKKCDUVERSO-UHFFFAOYSA-N -1 3 400.841 3.546 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(CSC3CCCC3)c2)c(C)o1 ZINC000434359951 980114319 /nfs/dbraw/zinc/11/43/19/980114319.db2.gz YJAMMGUODROMCI-UHFFFAOYSA-N -1 3 408.545 3.924 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)N[C@H](C)[C@H](C)c3ccccc3)c2)[n-]1 ZINC000434396857 980141626 /nfs/dbraw/zinc/14/16/26/980141626.db2.gz UOYACQVEHLERSK-JKSUJKDBSA-N -1 3 421.501 3.640 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)N[C@H](C)[C@H](C)c3ccccc3)c2)n[n-]1 ZINC000434396857 980141631 /nfs/dbraw/zinc/14/16/31/980141631.db2.gz UOYACQVEHLERSK-JKSUJKDBSA-N -1 3 421.501 3.640 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCCC[C@H]1c1ccc(F)cc1F ZINC000434537288 980237460 /nfs/dbraw/zinc/23/74/60/980237460.db2.gz ZZZNAGBLSRLMDH-FQEVSTJZSA-N -1 3 424.451 3.715 20 0 HHADHM Cc1ccc([N-]S(=O)(=O)c2cc(F)ccc2Br)c(CN(C)C)c1 ZINC000434967193 980537829 /nfs/dbraw/zinc/53/78/29/980537829.db2.gz FQCQBEHHSBZRNQ-UHFFFAOYSA-N -1 3 401.301 3.759 20 0 HHADHM C[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1Br)COCc1ccccc1 ZINC000435208003 980722446 /nfs/dbraw/zinc/72/24/46/980722446.db2.gz OVJFHZULKUSIKY-ZDUSSCGKSA-N -1 3 416.312 3.719 20 0 HHADHM CC(C)(C)OC(=O)CCC(C)(C)[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000435209234 980723100 /nfs/dbraw/zinc/72/31/00/980723100.db2.gz VWEKLRKRMCUTLK-UHFFFAOYSA-N -1 3 424.332 3.767 20 0 HHADHM O=S(=O)([N-][C@H]1C[C@@H]1c1c(F)cccc1F)c1cc(F)ccc1Br ZINC000435209640 980723511 /nfs/dbraw/zinc/72/35/11/980723511.db2.gz CYKZTZNFRZOZBZ-ZANVPECISA-N -1 3 406.223 3.701 20 0 HHADHM O=S(=O)([N-]Cc1coc(-c2ccccc2)n1)c1cc(F)ccc1Br ZINC000435213492 980726214 /nfs/dbraw/zinc/72/62/14/980726214.db2.gz ODHPEBAUASKJGP-UHFFFAOYSA-N -1 3 411.252 3.722 20 0 HHADHM Cc1[nH]c2ccccc2c1CC[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000435216440 980727390 /nfs/dbraw/zinc/72/73/90/980727390.db2.gz KNQVLOKPRKTKDI-UHFFFAOYSA-N -1 3 411.296 3.899 20 0 HHADHM CCOc1cccc(CC[N-]S(=O)(=O)c2cc(F)ccc2Br)c1 ZINC000435218185 980728658 /nfs/dbraw/zinc/72/86/58/980728658.db2.gz VXUQGNZXFYYZFL-UHFFFAOYSA-N -1 3 402.285 3.508 20 0 HHADHM O=S(=O)([N-][C@H]1CCCN(c2ccccc2)C1)c1cc(F)ccc1Br ZINC000435225815 980733395 /nfs/dbraw/zinc/73/33/95/980733395.db2.gz LQPFMOLIJWHOMV-AWEZNQCLSA-N -1 3 413.312 3.536 20 0 HHADHM CN1CC[C@@H]([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)[C@@H]1c1ccccc1 ZINC000435429587 980858269 /nfs/dbraw/zinc/85/82/69/980858269.db2.gz YBJFIYATUVSMPH-CVEARBPZSA-N -1 3 403.306 3.856 20 0 HHADHM CC[C@@](C)(OC)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000435463905 980877535 /nfs/dbraw/zinc/87/75/35/980877535.db2.gz JBJFIJWACIVCPM-HXUWFJFHSA-N -1 3 406.504 3.558 20 0 HHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(Cl)cc2)cc1Cl ZINC000435583991 980950255 /nfs/dbraw/zinc/95/02/55/980950255.db2.gz MNGGHVJUGCBWNR-SWLSCSKDSA-N -1 3 417.289 3.925 20 0 HHADHM Oc1[n-]c(SCc2ccc(I)c(Cl)c2)nc2nncc1-2 ZINC000435660957 980977589 /nfs/dbraw/zinc/97/75/89/980977589.db2.gz AXRBADZXEVIVTF-UHFFFAOYSA-N -1 3 418.647 3.609 20 0 HHADHM CC(C)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)cn1 ZINC000435925341 981096026 /nfs/dbraw/zinc/09/60/26/981096026.db2.gz ZQOWMFPUDZXBPO-UHFFFAOYSA-N -1 3 401.410 3.848 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@](C)(c3ccc(F)cc3)C2)c1 ZINC000435957273 981112833 /nfs/dbraw/zinc/11/28/33/981112833.db2.gz JCYAFITXCSGSNU-HSZRJFAPSA-N -1 3 423.444 3.884 20 0 HHADHM CCc1ccc(CC)c([N-]S(=O)(=O)c2c(C)cc(C)c(NS(C)(=O)=O)c2C)c1 ZINC000435972009 981123602 /nfs/dbraw/zinc/12/36/02/981123602.db2.gz KJBCRPVFBXMRNB-UHFFFAOYSA-N -1 3 424.588 3.909 20 0 HHADHM Cc1cc([C@H]2CCCN2C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)ccc1Br ZINC000435980699 981129608 /nfs/dbraw/zinc/12/96/08/981129608.db2.gz TVOCZZDMRZFNHF-QGZVFWFLSA-N -1 3 413.271 3.618 20 0 HHADHM CCOC(=O)c1nc(C2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)n[n-]1 ZINC000436100077 981200242 /nfs/dbraw/zinc/20/02/42/981200242.db2.gz NMPXPXOMZFGDKM-UHFFFAOYSA-N -1 3 412.277 3.700 20 0 HHADHM CCOC(=O)c1nnc(C2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)[n-]1 ZINC000436100077 981200245 /nfs/dbraw/zinc/20/02/45/981200245.db2.gz NMPXPXOMZFGDKM-UHFFFAOYSA-N -1 3 412.277 3.700 20 0 HHADHM COC[C@H]([N-]S(=O)(=O)c1sc(C)cc1Br)c1ccc(F)cc1 ZINC000436190865 981242564 /nfs/dbraw/zinc/24/25/64/981242564.db2.gz OJCKVVDJKZNPBL-ZDUSSCGKSA-N -1 3 408.314 3.624 20 0 HHADHM C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])c1nc(-c2ccccc2)cs1 ZINC000436487699 981397485 /nfs/dbraw/zinc/39/74/85/981397485.db2.gz TZGUEJVHRYNNNM-HNAYVOBHSA-N -1 3 421.522 3.998 20 0 HHADHM CN(C[C@H](O)COCc1ccccc1)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436511875 981410272 /nfs/dbraw/zinc/41/02/72/981410272.db2.gz IFQYNZOHUVXSGT-QFIPXVFZSA-N -1 3 405.494 3.633 20 0 HHADHM COc1ccc(CCN(CC(C)C)C(=O)c2cc(OC)c([O-])c(OC)c2)cc1OC ZINC000436521835 981415140 /nfs/dbraw/zinc/41/51/40/981415140.db2.gz HZCSBCJLWVXJCK-UHFFFAOYSA-N -1 3 417.502 3.768 20 0 HHADHM CC[C@@H](NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1ccncc1 ZINC000436523361 981416801 /nfs/dbraw/zinc/41/68/01/981416801.db2.gz APNFWOMZMMUFJC-YADHBBJMSA-N -1 3 403.482 3.916 20 0 HHADHM Cc1noc(C)c1C[C@@H](C)NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436523713 981416875 /nfs/dbraw/zinc/41/68/75/981416875.db2.gz CNUYILJHLGHQJO-QRQCRPRQSA-N -1 3 421.497 3.606 20 0 HHADHM Cc1nnc(COCC(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)s1 ZINC000436524684 981417521 /nfs/dbraw/zinc/41/75/21/981417521.db2.gz JSSGLDOWCUQVMX-UHFFFAOYSA-N -1 3 412.496 3.984 20 0 HHADHM CCc1cnc(CCNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)s1 ZINC000436524959 981417562 /nfs/dbraw/zinc/41/75/62/981417562.db2.gz CFJOMECVIPDBCC-FQEVSTJZSA-N -1 3 423.538 3.631 20 0 HHADHM CCO[C@@H]1C[C@H](NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C12CCC2 ZINC000436526031 981418368 /nfs/dbraw/zinc/41/83/68/981418368.db2.gz IBSKKZRXFRRGED-BHIFYINESA-N -1 3 422.525 3.717 20 0 HHADHM CC(C)[C@H]1CN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCS1 ZINC000436527452 981419948 /nfs/dbraw/zinc/41/99/48/981419948.db2.gz LIRRAFPVBJLYLZ-LEWJYISDSA-N -1 3 412.555 3.853 20 0 HHADHM CC(C)Cn1cc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cn1 ZINC000436527028 981420394 /nfs/dbraw/zinc/42/03/94/981420394.db2.gz KNICEGFWDDMHFP-NRFANRHFSA-N -1 3 406.486 3.745 20 0 HHADHM CCc1nnc(C2CCN(C(=O)c3cc(CCc4ccccc4)ccc3[O-])CC2)[nH]1 ZINC000436529296 981421793 /nfs/dbraw/zinc/42/17/93/981421793.db2.gz BEPLRUPLJZOJLL-UHFFFAOYSA-N -1 3 404.514 3.878 20 0 HHADHM O=C(Nc1ccc2[nH]c(CCN3CCOCC3)nc2c1)c1ccc2ccccc2c1[O-] ZINC000436536102 981426828 /nfs/dbraw/zinc/42/68/28/981426828.db2.gz ONNAOSWDUFFNKT-UHFFFAOYSA-N -1 3 416.481 3.549 20 0 HHADHM O=C(Nc1ccc2nc(CCN3CCOCC3)[nH]c2c1)c1ccc2ccccc2c1[O-] ZINC000436536102 981426829 /nfs/dbraw/zinc/42/68/29/981426829.db2.gz ONNAOSWDUFFNKT-UHFFFAOYSA-N -1 3 416.481 3.549 20 0 HHADHM CCCS(=O)(=O)Nc1cccc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)c1C ZINC000436547545 981434924 /nfs/dbraw/zinc/43/49/24/981434924.db2.gz RCKHBPYOXHBFJJ-UHFFFAOYSA-N -1 3 418.515 3.818 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCc1nc(C2CC2)cs1 ZINC000436552599 981437985 /nfs/dbraw/zinc/43/79/85/981437985.db2.gz ACSVQWBGFGWSHC-LJQANCHMSA-N -1 3 421.522 3.904 20 0 HHADHM COc1ccc(C(=O)N(Cc2nc(-c3ccc4c(c3)OCO4)c[nH]2)C(C)C)c([O-])c1 ZINC000436553054 981438432 /nfs/dbraw/zinc/43/84/32/981438432.db2.gz FSGFCJBEWMPDJI-UHFFFAOYSA-N -1 3 409.442 3.570 20 0 HHADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000436552859 981438563 /nfs/dbraw/zinc/43/85/63/981438563.db2.gz ASHATHPQXHWHHC-IAGOWNOFSA-N -1 3 419.308 3.787 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000436553970 981439474 /nfs/dbraw/zinc/43/94/74/981439474.db2.gz FKTONPUNBWHFGT-MQSCRBSSSA-N -1 3 422.525 3.529 20 0 HHADHM C[C@H](Cc1ccc(O)cc1)NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436554186 981439743 /nfs/dbraw/zinc/43/97/43/981439743.db2.gz DXAIHNSKIACGEP-UZUQRXQVSA-N -1 3 418.493 3.706 20 0 HHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000436555155 981440094 /nfs/dbraw/zinc/44/00/94/981440094.db2.gz JQZLDQIEBYYBGY-LJQANCHMSA-N -1 3 402.498 3.929 20 0 HHADHM O=C(c1ccccc1[O-])N1CCN(C(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000436556899 981441690 /nfs/dbraw/zinc/44/16/90/981441690.db2.gz MSPJZVWYRRRPLH-HOTGVXAUSA-N -1 3 419.308 3.787 20 0 HHADHM Cc1cnc([C@@H](C)NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)s1 ZINC000436557164 981442410 /nfs/dbraw/zinc/44/24/10/981442410.db2.gz QSBRVQYNGRFORJ-DNVCBOLYSA-N -1 3 409.511 3.896 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@@H]1CCOC2(CCCC2)C1 ZINC000436558639 981443188 /nfs/dbraw/zinc/44/31/88/981443188.db2.gz QYPCDLJSUYVOLI-IFMALSPDSA-N -1 3 422.525 3.861 20 0 HHADHM CCCN1CCN(c2ccc(NC(=O)c3c([O-])cccc3F)c(OCC)c2)CC1 ZINC000436560575 981444636 /nfs/dbraw/zinc/44/46/36/981444636.db2.gz DSVOTBMZTHGRNY-UHFFFAOYSA-N -1 3 401.482 3.714 20 0 HHADHM CCN(C(=O)c1cc(F)ccc1[O-])C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000436560692 981444646 /nfs/dbraw/zinc/44/46/46/981444646.db2.gz GRBURGIYVJWABR-UHFFFAOYSA-N -1 3 400.498 3.884 20 0 HHADHM CSc1cc(CNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)ccn1 ZINC000436565901 981448628 /nfs/dbraw/zinc/44/86/28/981448628.db2.gz SDYZLYOHFLXNSF-HXUWFJFHSA-N -1 3 421.522 3.687 20 0 HHADHM CCCOc1ccc(Cl)cc1NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436566929 981449130 /nfs/dbraw/zinc/44/91/30/981449130.db2.gz WBWWTPBJCCUPHD-UHFFFAOYSA-N -1 3 417.893 3.824 20 0 HHADHM COc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(C(C)C)cc2[O-])cc1 ZINC000436567100 981449334 /nfs/dbraw/zinc/44/93/34/981449334.db2.gz XTFHNCGALCHHCU-SFHVURJKSA-N -1 3 400.500 3.678 20 0 HHADHM CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000436568892 981450027 /nfs/dbraw/zinc/45/00/27/981450027.db2.gz XCUUVKYOHGTCCJ-SFHVURJKSA-N -1 3 402.922 3.895 20 0 HHADHM CC(C)(c1noc(-c2ccccc2[O-])n1)S(=O)(=O)c1ccc(Br)cc1 ZINC000436580147 981458257 /nfs/dbraw/zinc/45/82/57/981458257.db2.gz FLJBMVJVTDKWGU-UHFFFAOYSA-N -1 3 423.288 3.914 20 0 HHADHM CN(C(=O)c1cc(Cc2ccccc2)ccc1[O-])C1CCN(c2cccnn2)CC1 ZINC000436589552 981462608 /nfs/dbraw/zinc/46/26/08/981462608.db2.gz WJLIJRZDHZENNL-UHFFFAOYSA-N -1 3 402.498 3.514 20 0 HHADHM C[C@@H](c1ccncc1)N1CCC(NC(=O)c2ccc(Br)cc2[O-])CC1 ZINC000436605684 981470292 /nfs/dbraw/zinc/47/02/92/981470292.db2.gz PTEWKTFQURGVNP-ZDUSSCGKSA-N -1 3 404.308 3.505 20 0 HHADHM Cc1ccccc1Nc1nc(CN2CCN(C(=O)c3ccccc3[O-])CC2)cs1 ZINC000436605803 981470429 /nfs/dbraw/zinc/47/04/29/981470429.db2.gz LRGREAMIJFABIS-UHFFFAOYSA-N -1 3 408.527 3.859 20 0 HHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000436611870 981473960 /nfs/dbraw/zinc/47/39/60/981473960.db2.gz YYENISPHZNNCDZ-IEBWSBKVSA-N -1 3 407.432 3.810 20 0 HHADHM C[C@@H]1CN(c2ccc(CNC(=O)c3cc(Cc4ccccc4)ccc3[O-])cn2)CCO1 ZINC000436612683 981474605 /nfs/dbraw/zinc/47/46/05/981474605.db2.gz NHHUQRARZPCQMV-GOSISDBHSA-N -1 3 417.509 3.533 20 0 HHADHM CCc1nc(CN2CCN(C(=O)c3cc(Cc4ccccc4)ccc3[O-])CC2)cs1 ZINC000436616308 981476722 /nfs/dbraw/zinc/47/67/22/981476722.db2.gz DRLPKNMVSKLIKH-UHFFFAOYSA-N -1 3 421.566 3.960 20 0 HHADHM Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000436622160 981479726 /nfs/dbraw/zinc/47/97/26/981479726.db2.gz WYYBERQHYKSPCG-LSWJPFSZSA-N -1 3 422.525 3.589 20 0 HHADHM O=C(N[C@H]1CCCc2cn(C3CCCC3)nc21)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436624797 981480817 /nfs/dbraw/zinc/48/08/17/981480817.db2.gz AQCVWWZJXWAGEU-PMACEKPBSA-N -1 3 422.529 3.502 20 0 HHADHM COCCn1cc2c(n1)[C@@H](NC(=O)c1cc(Oc3ccccc3)ccc1[O-])CCC2 ZINC000436625666 981480900 /nfs/dbraw/zinc/48/09/00/981480900.db2.gz FZGKJDQFFYHWIU-FQEVSTJZSA-N -1 3 407.470 3.835 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1ccc2nccnc2c1 ZINC000436626526 981481535 /nfs/dbraw/zinc/48/15/35/981481535.db2.gz RGNJIKSVGKMMII-OAQYLSRUSA-N -1 3 412.449 3.835 20 0 HHADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000436627847 981482613 /nfs/dbraw/zinc/48/26/13/981482613.db2.gz VKFYXUUYDNTENQ-GJZUVCINSA-N -1 3 418.537 3.894 20 0 HHADHM O=C(Nc1nc2cc(C(F)(F)F)ccc2[nH]1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436629109 981483193 /nfs/dbraw/zinc/48/31/93/981483193.db2.gz IMMSWNIZIDOEPF-HNNXBMFYSA-N -1 3 418.375 3.531 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)N(Cc2cccnc2)Cc2ccccc2C)c([O-])c1 ZINC000436633054 981484292 /nfs/dbraw/zinc/48/42/92/981484292.db2.gz ISAYFSIXHDGBNU-UHFFFAOYSA-N -1 3 417.509 3.753 20 0 HHADHM CCCCn1nccc1NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000436635282 981485871 /nfs/dbraw/zinc/48/58/71/981485871.db2.gz OQJNHPKCXCLYBQ-UHFFFAOYSA-N -1 3 413.503 3.587 20 0 HHADHM CC[C@H](C(=O)N1CCC(NC(=O)c2ccc(C(C)=O)c([O-])c2)CC1)c1ccccc1 ZINC000436637655 981486989 /nfs/dbraw/zinc/48/69/89/981486989.db2.gz XTZOHYNMFMQDJF-FQEVSTJZSA-N -1 3 408.498 3.509 20 0 HHADHM CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436642869 981489641 /nfs/dbraw/zinc/48/96/41/981489641.db2.gz VITSLMCNVXENNJ-SFGWALBWSA-N -1 3 416.562 3.590 20 0 HHADHM O=C(NCCCCOc1ccc(Cl)cc1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436654003 981493215 /nfs/dbraw/zinc/49/32/15/981493215.db2.gz HNQPYXSSYDEDLK-IBGZPJMESA-N -1 3 416.905 3.626 20 0 HHADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000436666282 981499881 /nfs/dbraw/zinc/49/98/81/981499881.db2.gz QILKCHHDSCFLTK-NVXWUHKLSA-N -1 3 410.436 3.578 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)N(C)CCCc2cc(-c3ccccc3)no2)c([O-])c1 ZINC000436666762 981500722 /nfs/dbraw/zinc/50/07/22/981500722.db2.gz RRJZXHUGDLTDOF-UHFFFAOYSA-N -1 3 421.497 3.567 20 0 HHADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)CC1 ZINC000436669974 981502654 /nfs/dbraw/zinc/50/26/54/981502654.db2.gz CGBZQYXQVQUHKI-GOTSBHOMSA-N -1 3 400.478 3.634 20 0 HHADHM CCOc1ccccc1Oc1ccccc1C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000436679223 981508122 /nfs/dbraw/zinc/50/81/22/981508122.db2.gz FPUIBWQSNQLGNJ-UHFFFAOYSA-N -1 3 420.465 3.743 20 0 HHADHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1cccc(COC2CCCCC2)c1 ZINC000436680969 981508828 /nfs/dbraw/zinc/50/88/28/981508828.db2.gz LJOGFYGJYAUAFE-UHFFFAOYSA-N -1 3 411.502 3.793 20 0 HHADHM O=C(NCCNC(=O)c1ccc(Oc2cccc(Cl)c2)cc1)c1ccc([O-])cc1 ZINC000436681841 981509465 /nfs/dbraw/zinc/50/94/65/981509465.db2.gz OSPQNITXBJLJLG-UHFFFAOYSA-N -1 3 410.857 3.998 20 0 HHADHM COc1cc(-c2nc(-c3cc(Cl)ccc3O[C@@H]3CCOC3)no2)cc(OC)c1[O-] ZINC000436691878 981515221 /nfs/dbraw/zinc/51/52/21/981515221.db2.gz VNKLTKKKKMMDEY-CYBMUJFWSA-N -1 3 418.833 3.948 20 0 HHADHM COc1ccc(-c2nc(Cc3noc(-c4cc(OC)c([O-])c(OC)c4)n3)co2)cc1 ZINC000436692792 981515949 /nfs/dbraw/zinc/51/59/49/981515949.db2.gz YESJUODHJRIJBQ-UHFFFAOYSA-N -1 3 409.398 3.714 20 0 HHADHM C[C@@H](NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1ccncc1F ZINC000436692964 981516019 /nfs/dbraw/zinc/51/60/19/981516019.db2.gz ZGGFTNQAHISHFF-VFNWGFHPSA-N -1 3 407.445 3.665 20 0 HHADHM C[C@H](NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1ccncc1F ZINC000436692965 981516071 /nfs/dbraw/zinc/51/60/71/981516071.db2.gz ZGGFTNQAHISHFF-YCRPNKLZSA-N -1 3 407.445 3.665 20 0 HHADHM CC(C)c1ccc(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3F)CC2)c([O-])c1 ZINC000436693723 981516601 /nfs/dbraw/zinc/51/66/01/981516601.db2.gz CYQDEYZOOBARRF-UHFFFAOYSA-N -1 3 404.869 3.906 20 0 HHADHM Cc1cc(CN2CCN(C(=O)c3ccccc3[O-])CC2)ccc1Oc1cccnc1 ZINC000436694522 981517135 /nfs/dbraw/zinc/51/71/35/981517135.db2.gz AAPGKGMKIMTZSR-UHFFFAOYSA-N -1 3 403.482 3.846 20 0 HHADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CC=C(c2ccccc2Cl)CC1 ZINC000436694973 981517833 /nfs/dbraw/zinc/51/78/33/981517833.db2.gz BZFLBGPTHHUVKY-HXUWFJFHSA-N -1 3 410.901 3.966 20 0 HHADHM COC(=O)C[C@@](C)(NC(=O)c1cc(Oc2ccccc2)ccc1[O-])c1ccncc1 ZINC000436705680 981522173 /nfs/dbraw/zinc/52/21/73/981522173.db2.gz SSLMQNYPDLUBGZ-HSZRJFAPSA-N -1 3 406.438 3.788 20 0 HHADHM COc1ccc(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)c([O-])c1 ZINC000436708234 981523420 /nfs/dbraw/zinc/52/34/20/981523420.db2.gz ISUOAPJIRXZVGA-UHFFFAOYSA-N -1 3 409.404 3.898 20 0 HHADHM CN(C)[C@@H](C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1cncn1C ZINC000436709342 981523588 /nfs/dbraw/zinc/52/35/88/981523588.db2.gz VPRQMLNVYRKQDS-LJQANCHMSA-N -1 3 407.499 3.644 20 0 HHADHM CC(C)c1ccc(C(=O)N(C)[C@@H](C)c2ccc(N3CCCS3(=O)=O)cc2)c([O-])c1 ZINC000436710041 981524296 /nfs/dbraw/zinc/52/42/96/981524296.db2.gz XZYCIEOBTAKPRM-INIZCTEOSA-N -1 3 416.543 3.889 20 0 HHADHM O=C(Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1)c1ccc(O)cc1[O-] ZINC000436711590 981525568 /nfs/dbraw/zinc/52/55/68/981525568.db2.gz AHQWLRYEGJZXMQ-UHFFFAOYSA-N -1 3 405.237 3.867 20 0 HHADHM COc1cccc(C(=O)Nc2nnn(Cc3ccc(C(F)(F)F)cc3)c2C)c1[O-] ZINC000436715568 981527462 /nfs/dbraw/zinc/52/74/62/981527462.db2.gz XXCOSNQOOLRCEP-UHFFFAOYSA-N -1 3 406.364 3.620 20 0 HHADHM O=C(N[C@@H]1CCC[C@@H](c2ccccc2)C1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436716621 981528268 /nfs/dbraw/zinc/52/82/68/981528268.db2.gz UJCIIHREMGWPGZ-WOJBJXKFSA-N -1 3 407.514 3.586 20 0 HHADHM Cc1ccc2[nH]c(NC(=O)Cc3csc(NC(=O)c4cc(C)ccc4[O-])n3)nc2c1 ZINC000436723177 981531794 /nfs/dbraw/zinc/53/17/94/981531794.db2.gz MVLCLLJVELKIKD-UHFFFAOYSA-N -1 3 421.482 3.775 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)Nc2cnn(-c3ccccc3)c2C(C)C)c([O-])c1 ZINC000436727584 981533700 /nfs/dbraw/zinc/53/37/00/981533700.db2.gz ACINYBYJORJQEG-UHFFFAOYSA-N -1 3 406.486 3.768 20 0 HHADHM NC(=O)c1ccc(CC(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)cc1 ZINC000436733963 981537586 /nfs/dbraw/zinc/53/75/86/981537586.db2.gz ZYCSJNWSUMXGBL-UHFFFAOYSA-N -1 3 403.463 3.949 20 0 HHADHM CCc1ccc(C(=O)N(C)CC(=O)NC(c2ccccc2)c2ccccc2)c([O-])c1 ZINC000436735350 981538083 /nfs/dbraw/zinc/53/80/83/981538083.db2.gz DZBAURSMRNFMEV-UHFFFAOYSA-N -1 3 402.494 3.932 20 0 HHADHM COc1cc([C@H](C)NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)ccn1 ZINC000436737306 981538981 /nfs/dbraw/zinc/53/89/81/981538981.db2.gz IKHVQLSFGYQWTP-KKSFZXQISA-N -1 3 419.481 3.534 20 0 HHADHM CC(C)c1ccc(C(=O)NCc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)c([O-])c1 ZINC000436739612 981539404 /nfs/dbraw/zinc/53/94/04/981539404.db2.gz OWKSVCDIJPWREU-CALCHBBNSA-N -1 3 410.514 3.695 20 0 HHADHM COc1ccc([C@H](C)NC(=O)c2cc(OC)c([O-])c(OC)c2)cc1Br ZINC000436744622 981542062 /nfs/dbraw/zinc/54/20/62/981542062.db2.gz NZONSIZTXYQZNZ-JTQLQIEISA-N -1 3 410.264 3.672 20 0 HHADHM Cc1cc(S(N)(=O)=O)cc(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])c1C ZINC000436754343 981546644 /nfs/dbraw/zinc/54/66/44/981546644.db2.gz IFVKLZHUQFPRCR-UHFFFAOYSA-N -1 3 412.467 3.701 20 0 HHADHM O=C(Nc1ccccc1C(=O)N1CCOCC1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436755753 981547041 /nfs/dbraw/zinc/54/70/41/981547041.db2.gz NDMVLFCDMRYCRK-UHFFFAOYSA-N -1 3 418.449 3.909 20 0 HHADHM NC(=O)CCN(Cc1ccccc1)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436757310 981548091 /nfs/dbraw/zinc/54/80/91/981548091.db2.gz UXHNNOMUVKPYKL-UHFFFAOYSA-N -1 3 402.494 3.695 20 0 HHADHM CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cc(C)ccc1[O-] ZINC000436756840 981548249 /nfs/dbraw/zinc/54/82/49/981548249.db2.gz FQUPZGLMJZUIEF-UHFFFAOYSA-N -1 3 400.475 3.587 20 0 HHADHM C[C@H](Sc1ccccc1Cl)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436765506 981552558 /nfs/dbraw/zinc/55/25/58/981552558.db2.gz BSVTTZPLWIOLMO-AWEZNQCLSA-N -1 3 404.919 3.511 20 0 HHADHM CC(C)c1ccc(O[C@@H](C)CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000436769570 981553944 /nfs/dbraw/zinc/55/39/44/981553944.db2.gz KEBPVXKYOUNHBI-LAUBAEHRSA-N -1 3 410.514 3.704 20 0 HHADHM Cc1noc([C@H](NC(=O)c2cc(Cc3ccccc3)ccc2[O-])C2CCOCC2)n1 ZINC000436771570 981555040 /nfs/dbraw/zinc/55/50/40/981555040.db2.gz WZWDOYJWGRYIQV-OAQYLSRUSA-N -1 3 407.470 3.572 20 0 HHADHM O=C(CCCCc1nc2ccccc2s1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436777269 981557054 /nfs/dbraw/zinc/55/70/54/981557054.db2.gz BYQDTNGQIZEQHA-UHFFFAOYSA-N -1 3 423.538 3.699 20 0 HHADHM O=C(N[C@@H]1CCCc2sc(Cl)cc21)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436777331 981557100 /nfs/dbraw/zinc/55/71/00/981557100.db2.gz CFZCKPLZQSQRKW-OAHLLOKOSA-N -1 3 419.934 3.652 20 0 HHADHM COc1cc(OC)cc(-c2nnc(SCc3noc(-c4ccccc4[O-])n3)o2)c1 ZINC000436777827 981557130 /nfs/dbraw/zinc/55/71/30/981557130.db2.gz ZZFHECITXKDAGZ-UHFFFAOYSA-N -1 3 412.427 3.802 20 0 HHADHM O=C(c1ccccc1[O-])N1CCN(C(=O)c2ccc(OC3CCC3)cc2Cl)CC1 ZINC000436781739 981558697 /nfs/dbraw/zinc/55/86/97/981558697.db2.gz FSSNUVDDZATOLD-UHFFFAOYSA-N -1 3 414.889 3.575 20 0 HHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)c2noc(-c3ccc(Cl)cc3)n2)c1 ZINC000436789916 981562747 /nfs/dbraw/zinc/56/27/47/981562747.db2.gz MHELELRCVUQTGQ-SNVBAGLBSA-N -1 3 400.822 3.545 20 0 HHADHM CCOC1(C)CCN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC1 ZINC000436795281 981565539 /nfs/dbraw/zinc/56/55/39/981565539.db2.gz YDCJKONZVRZJPE-OAQYLSRUSA-N -1 3 410.514 3.671 20 0 HHADHM Cc1cc(F)ccc1C1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000436796319 981566421 /nfs/dbraw/zinc/56/64/21/981566421.db2.gz WFOJHMZBKUIAIC-NRFANRHFSA-N -1 3 410.489 3.851 20 0 HHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)ccc1O ZINC000436804156 981569272 /nfs/dbraw/zinc/56/92/72/981569272.db2.gz AWOKJDZGTREHRH-UHFFFAOYSA-N -1 3 413.451 3.559 20 0 HHADHM CC(C)(C)[C@H]1CN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCO1 ZINC000436806276 981570373 /nfs/dbraw/zinc/57/03/73/981570373.db2.gz UNGQNODZXFVTDW-LEWJYISDSA-N -1 3 410.514 3.527 20 0 HHADHM O=C(c1cc2c(cc1[O-])OCO2)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000436809679 981571302 /nfs/dbraw/zinc/57/13/02/981571302.db2.gz PHDHNZVEBLNUIQ-CQSZACIVSA-N -1 3 419.275 3.600 20 0 HHADHM O=C(c1cc2c(cc1[O-])OCO2)N1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000436810523 981571893 /nfs/dbraw/zinc/57/18/93/981571893.db2.gz BIUUKHGSPKGMJN-CQSZACIVSA-N -1 3 408.223 4.000 20 0 HHADHM O=C(Nc1ccnc(Sc2ccccn2)c1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436812530 981572911 /nfs/dbraw/zinc/57/29/11/981572911.db2.gz XZCDKVUXHCBAQH-KRWDZBQOSA-N -1 3 420.494 3.577 20 0 HHADHM COC[C@H]1CCCCN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000436816235 981573924 /nfs/dbraw/zinc/57/39/24/981573924.db2.gz NNCPALVSMBNSKR-AVRDEDQJSA-N -1 3 410.514 3.529 20 0 HHADHM C[C@@H]1CCN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC1(F)F ZINC000436817456 981574690 /nfs/dbraw/zinc/57/46/90/981574690.db2.gz HNAPFLVUEPGFGW-DNVCBOLYSA-N -1 3 402.441 3.757 20 0 HHADHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000436818724 981575154 /nfs/dbraw/zinc/57/51/54/981575154.db2.gz BIHKUDXCJAQQDS-FQEVSTJZSA-N -1 3 423.900 3.647 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1nc2cc(F)ccc2[nH]1 ZINC000436820051 981575880 /nfs/dbraw/zinc/57/58/80/981575880.db2.gz FWSVVFXTUPDIAR-IBGZPJMESA-N -1 3 418.428 3.908 20 0 HHADHM COc1cccc(C(=O)Nc2nc(-c3ccc(NC(C)=O)cc3F)cs2)c1[O-] ZINC000436823348 981576990 /nfs/dbraw/zinc/57/69/90/981576990.db2.gz UHAMAZIBKBXXBT-UHFFFAOYSA-N -1 3 401.419 3.874 20 0 HHADHM CC(C)[C@@H]1CN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCCO1 ZINC000436822906 981577199 /nfs/dbraw/zinc/57/71/99/981577199.db2.gz XUMXJVNSJVYKID-YADHBBJMSA-N -1 3 410.514 3.527 20 0 HHADHM C[C@@H]1CN(Cc2csc(NC(=O)c3cc4c(cc3[O-])CCCC4)n2)C[C@H](C)O1 ZINC000436826775 981578368 /nfs/dbraw/zinc/57/83/68/981578368.db2.gz QBUMVQVSPGHSFE-OKILXGFUSA-N -1 3 401.532 3.589 20 0 HHADHM CCN1CC[C@@H](NC(=O)c2cc(OC)c([O-])c(OC)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000436829808 981580304 /nfs/dbraw/zinc/58/03/04/981580304.db2.gz BVOLTZDLUVYWGM-APWZRJJASA-N -1 3 422.884 3.767 20 0 HHADHM CCc1ccc(C(=O)N(C2CC2)[C@H]2CCN(C(=O)c3ccc(CC)cc3O)C2)c([O-])c1 ZINC000436835113 981582285 /nfs/dbraw/zinc/58/22/85/981582285.db2.gz UIDCSGFMQCYLRP-IBGZPJMESA-N -1 3 422.525 3.742 20 0 HHADHM CCc1ccc(C(=O)N2CC[C@H](N(C(=O)c3ccc(CC)cc3O)C3CC3)C2)c([O-])c1 ZINC000436835113 981582289 /nfs/dbraw/zinc/58/22/89/981582289.db2.gz UIDCSGFMQCYLRP-IBGZPJMESA-N -1 3 422.525 3.742 20 0 HHADHM COc1ccc(C(=O)Nc2cccc(OCCNC(=O)c3ccc(C)cc3[O-])c2)cc1 ZINC000436847035 981587720 /nfs/dbraw/zinc/58/77/20/981587720.db2.gz JGKPNVALGNNKRN-UHFFFAOYSA-N -1 3 420.465 3.770 20 0 HHADHM Cc1cccc(COc2cccc(NC(=O)NCCNC(=O)c3ccc([O-])cc3)c2)c1 ZINC000436868076 981597334 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ZINC000436971580 981657072 /nfs/dbraw/zinc/65/70/72/981657072.db2.gz KRXPTBHHVCMSRS-UHFFFAOYSA-N -1 3 412.530 3.928 20 0 HHADHM CS(=O)(=O)C1(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)CCC1 ZINC000436977377 981661876 /nfs/dbraw/zinc/66/18/76/981661876.db2.gz DRAXGBBRMSBONA-UHFFFAOYSA-N -1 3 402.497 3.575 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)N2CCCC[C@H]2c2nc3ccccc3o2)c([O-])c1 ZINC000436977591 981661945 /nfs/dbraw/zinc/66/19/45/981661945.db2.gz RYFRARFOYMHGTE-SFHVURJKSA-N -1 3 407.470 3.716 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC[C@@H](c2cccnc2)C(C)C)c1 ZINC000436978224 981662650 /nfs/dbraw/zinc/66/26/50/981662650.db2.gz UXCAZCUQVPZTNE-GOSISDBHSA-N -1 3 408.458 3.506 20 0 HHADHM Cc1ccoc1C(=O)NCCCNC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436980128 981664267 /nfs/dbraw/zinc/66/42/67/981664267.db2.gz MLFVDXNEDYYXRT-UHFFFAOYSA-N -1 3 406.482 3.629 20 0 HHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@@H](C)c3cccc(O)c3)cs2)c1 ZINC000436980467 981664507 /nfs/dbraw/zinc/66/45/07/981664507.db2.gz 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COc1cccc(Cl)c1CNC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000437005541 981681351 /nfs/dbraw/zinc/68/13/51/981681351.db2.gz YMIAPUYBIQVNPS-UHFFFAOYSA-N -1 3 415.833 3.533 20 0 HHADHM Cc1nc(C)c(CCC(=O)Nc2ccnc(Oc3ccc(F)cc3F)c2)c(=O)[n-]1 ZINC000448446687 981784030 /nfs/dbraw/zinc/78/40/30/981784030.db2.gz LNGVDKFKQFNLEE-UHFFFAOYSA-N -1 3 400.385 3.836 20 0 HHADHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000448451351 981788484 /nfs/dbraw/zinc/78/84/84/981788484.db2.gz DWWLHFPEKZBTRR-UHFFFAOYSA-N -1 3 400.887 3.621 20 0 HHADHM O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000437285473 981939564 /nfs/dbraw/zinc/93/95/64/981939564.db2.gz MSOOEHDCLMQHJE-QGTPRVQTSA-N -1 3 419.308 3.976 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N(CC(C)C)C3CCCC3)c2)n1 ZINC000437286775 981941201 /nfs/dbraw/zinc/94/12/01/981941201.db2.gz MJGAXNQUUINSGX-UHFFFAOYSA-N -1 3 410.518 3.777 20 0 HHADHM O=C(N[C@@H]1C[C@H]1c1ccc2ccccc2c1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000437291701 981945409 /nfs/dbraw/zinc/94/54/09/981945409.db2.gz OFEKCUSOKISUPZ-BHDDXSALSA-N -1 3 400.478 3.822 20 0 HHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)NC2Cc3ccccc3C2)CC1 ZINC000460227045 982003912 /nfs/dbraw/zinc/00/39/12/982003912.db2.gz FQQZDHFFDXYCRK-UHFFFAOYSA-N -1 3 413.905 3.573 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cc3nnc4ccccn43)cc2)cc(C)c1F ZINC000437396389 982041196 /nfs/dbraw/zinc/04/11/96/982041196.db2.gz WXGULLINANVBDX-UHFFFAOYSA-N -1 3 410.474 3.877 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H]2C[C@H](c3cccc(F)c3)C2)c1 ZINC000437525983 982151746 /nfs/dbraw/zinc/15/17/46/982151746.db2.gz QSVDXDKMJATKFO-CZIWCDLHSA-N -1 3 409.417 3.756 20 0 HHADHM CCOc1ccc([C@@H]2C[C@H]2NC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000437539837 982169090 /nfs/dbraw/zinc/16/90/90/982169090.db2.gz UVYHPEFJPKJMDP-DOTOQJQBSA-N -1 3 405.292 3.909 20 0 HHADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)Nc2ccsc2Cl)cc1 ZINC000437668345 982283832 /nfs/dbraw/zinc/28/38/32/982283832.db2.gz ATUVHRDMMKYXKG-UHFFFAOYSA-N -1 3 408.954 3.744 20 0 HHADHM CCc1ccnc(CNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC000437727773 982321407 /nfs/dbraw/zinc/32/14/07/982321407.db2.gz CPWKCRDYUVFSDK-QFIPXVFZSA-N -1 3 403.482 3.527 20 0 HHADHM CCc1ccnc(CNC(=O)c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)ccc2C)c1 ZINC000437747989 982334221 /nfs/dbraw/zinc/33/42/21/982334221.db2.gz PQLVJYYIOOPTRW-UHFFFAOYSA-N -1 3 423.538 3.992 20 0 HHADHM CCc1cnc(N2CCN(C(=O)Nc3ccc(-c4cc(=O)[n-]c(C)n4)cc3)CC2)s1 ZINC000437762553 982341793 /nfs/dbraw/zinc/34/17/93/982341793.db2.gz VAMMKYCCNROIHC-UHFFFAOYSA-N -1 3 424.530 3.531 20 0 HHADHM CC[C@H](Cc1ccccc1)N(C)C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000437846482 982403435 /nfs/dbraw/zinc/40/34/35/982403435.db2.gz LHVDIPFFYIFEOV-GOSISDBHSA-N -1 3 419.547 3.942 20 0 HHADHM COC(=O)c1cc(Cl)c([N-]S(=O)(=O)Cc2ccc(C)cc2F)cc1OC ZINC000460755108 982511775 /nfs/dbraw/zinc/51/17/75/982511775.db2.gz RKDDFDANIOYYPR-UHFFFAOYSA-N -1 3 401.843 3.525 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC=C(C)C3)ccc2C)cc1 ZINC000438031518 982535807 /nfs/dbraw/zinc/53/58/07/982535807.db2.gz GJJTYRYEGLJAFJ-UHFFFAOYSA-N -1 3 414.527 3.987 20 0 HHADHM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(C)c2)cc1 ZINC000460828621 982579523 /nfs/dbraw/zinc/57/95/23/982579523.db2.gz GJSBMYPXHZKZAC-UHFFFAOYSA-N -1 3 416.421 3.720 20 0 HHADHM CCc1ncc(S(=O)(=O)[N-]Cc2ccc(C(=O)Nc3ccc(F)cc3)cc2)s1 ZINC000460889191 982627403 /nfs/dbraw/zinc/62/74/03/982627403.db2.gz JQHRGGFJZZHNOI-UHFFFAOYSA-N -1 3 419.503 3.575 20 0 HHADHM CCc1ncc(S(=O)(=O)[N-]Cc2cccc(NC(=O)c3cccc(F)c3)c2)s1 ZINC000460966678 982696521 /nfs/dbraw/zinc/69/65/21/982696521.db2.gz XBZSRHANIJVSND-UHFFFAOYSA-N -1 3 419.503 3.575 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H]3[C@@H](C)C3(F)F)ccc2C)cc1 ZINC000460992806 982713242 /nfs/dbraw/zinc/71/32/42/982713242.db2.gz PUFCDQIRFJEMAK-PXAZEXFGSA-N -1 3 410.442 3.644 20 0 HHADHM COC(=O)c1cccc2[n-]c(NC(=O)COc3ccc(Oc4ccccn4)cc3)nc21 ZINC000438353495 982741394 /nfs/dbraw/zinc/74/13/94/982741394.db2.gz BSNQEDWQAQEZCL-UHFFFAOYSA-N -1 3 418.409 3.554 20 0 HHADHM Cc1c(S(=O)(=O)[N-]c2c(C)cc(C)cc2Br)cnn1-c1ccccn1 ZINC000461126120 982825970 /nfs/dbraw/zinc/82/59/70/982825970.db2.gz FAYPYTDGPWXEBJ-UHFFFAOYSA-N -1 3 421.320 3.756 20 0 HHADHM Cc1cc(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)ccc1C(F)(F)F ZINC000438516903 982856358 /nfs/dbraw/zinc/85/63/58/982856358.db2.gz LFRAWBRRZOJAPT-UHFFFAOYSA-N -1 3 407.392 3.709 20 0 HHADHM COc1ccc(CC(C)(C)NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])cc1 ZINC000438533967 982871379 /nfs/dbraw/zinc/87/13/79/982871379.db2.gz TYOLPLCVJZJNGD-UHFFFAOYSA-N -1 3 423.469 3.701 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)Nc1nc2c(s1)CCCC2(C)C ZINC000461218790 982930447 /nfs/dbraw/zinc/93/04/47/982930447.db2.gz JTOAMFIPWMUZFQ-UHFFFAOYSA-N -1 3 423.542 3.782 20 0 HHADHM COc1cc(C(=O)N(C)[C@H]2CCOc3ccc(Br)cc32)cc(OC)c1[O-] ZINC000438625729 982946572 /nfs/dbraw/zinc/94/65/72/982946572.db2.gz QWVYTRZNOLYRQT-AWEZNQCLSA-N -1 3 422.275 3.768 20 0 HHADHM Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000438693015 983005937 /nfs/dbraw/zinc/00/59/37/983005937.db2.gz DUVLPZUAMBIHBN-SFHVURJKSA-N -1 3 409.530 3.609 20 0 HHADHM O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000461333212 983023769 /nfs/dbraw/zinc/02/37/69/983023769.db2.gz MNUHUGJQNVUHLN-MELADBBJSA-N -1 3 419.374 3.747 20 0 HHADHM O=C1Cc2cc(S(=O)(=O)[N-]c3ccc(Oc4ccc(Cl)cn4)cc3)ccc2N1 ZINC000438774494 983062496 /nfs/dbraw/zinc/06/24/96/983062496.db2.gz ONADHWUVWSPUQE-UHFFFAOYSA-N -1 3 415.858 3.823 20 0 HHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@H](C1CCCC1)C(F)(F)F ZINC000439017073 983212107 /nfs/dbraw/zinc/21/21/07/983212107.db2.gz DFVZIACABGMAII-QGZVFWFLSA-N -1 3 408.424 3.723 20 0 HHADHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CCC(=Cc2ccccc2F)CC1 ZINC000439052164 983228749 /nfs/dbraw/zinc/22/87/49/983228749.db2.gz DGYWDMUEJKKRDF-NRFANRHFSA-N -1 3 408.473 3.842 20 0 HHADHM Cn1c(=O)n(C)c2cc(NC(=O)CCCn3ccc4cc(Cl)ccc43)c([O-])cc21 ZINC000461610401 983237682 /nfs/dbraw/zinc/23/76/82/983237682.db2.gz QKQOYWRRTRRWAW-UHFFFAOYSA-N -1 3 412.877 3.610 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]Cc2nc(-c3cccs3)c[nH]2)sc1Br ZINC000439193257 983302426 /nfs/dbraw/zinc/30/24/26/983302426.db2.gz VXLWXZGHBUAXRB-UHFFFAOYSA-N -1 3 418.363 3.749 20 0 HHADHM Cc1csc([C@@H]([N-]S(=O)(=O)c2ccc(F)c(Br)c2)C2CC2)n1 ZINC000439230966 983320961 /nfs/dbraw/zinc/32/09/61/983320961.db2.gz CJCSBCNDGYBTFC-ZDUSSCGKSA-N -1 3 405.314 3.783 20 0 HHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(C(F)(F)F)c(F)c1 ZINC000439254065 983333526 /nfs/dbraw/zinc/33/35/26/983333526.db2.gz AMKMTDMVTMKQPR-UHFFFAOYSA-N -1 3 410.367 3.585 20 0 HHADHM CSc1nsc([N-]C(=O)c2cnn(-c3ncccc3Cl)c2C(F)F)n1 ZINC000440078360 983635425 /nfs/dbraw/zinc/63/54/25/983635425.db2.gz LTNJUIIHUQWKKG-UHFFFAOYSA-N -1 3 402.839 3.684 20 0 HHADHM Cc1ccc(Sc2nsc(NC(=O)CCc3c(C)nc(C)[n-]c3=O)n2)cc1 ZINC000440318866 983719319 /nfs/dbraw/zinc/71/93/19/983719319.db2.gz UIJVQOUQBWUUOX-UHFFFAOYSA-N -1 3 401.517 3.681 20 0 HHADHM Cc1noc(C2CCC([N-]S(=O)(=O)c3ccc(F)cc3C(F)(F)F)CC2)n1 ZINC000440391208 983742179 /nfs/dbraw/zinc/74/21/79/983742179.db2.gz KSKJCIQITNXULC-UHFFFAOYSA-N -1 3 407.389 3.541 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N3CCCC[C@@H]3[C@@H](C)CC)c2)n1 ZINC000441105082 984070425 /nfs/dbraw/zinc/07/04/25/984070425.db2.gz PVQLUGXDUCBGBS-HNAYVOBHSA-N -1 3 410.518 3.777 20 0 HHADHM COc1ccc(-c2cc3[n-]c(CN4CC[C@H]([C@H]5CCOC5)C4)nc(=O)c3s2)cc1 ZINC000441663363 984381696 /nfs/dbraw/zinc/38/16/96/984381696.db2.gz OLNPHOWJYURFML-HOTGVXAUSA-N -1 3 411.527 3.519 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N(C)[C@@H]3CCCC[C@@H]3CC)c2)n1 ZINC000441783523 984450293 /nfs/dbraw/zinc/45/02/93/984450293.db2.gz CGOQCDWUPZOLAF-HNAYVOBHSA-N -1 3 410.518 3.777 20 0 HHADHM Cc1cc(F)c(S(=O)(=O)[N-]Cc2cccc(COCC(F)(F)F)c2)cc1F ZINC000441871462 984510729 /nfs/dbraw/zinc/51/07/29/984510729.db2.gz LVXOEEZQVVMHSY-UHFFFAOYSA-N -1 3 409.376 3.831 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@@](CO)(Cc4ccccc4)C3)nc2)n1 ZINC000461883895 984907908 /nfs/dbraw/zinc/90/79/08/984907908.db2.gz BSDASTCCAYNYKD-XMMPIXPASA-N -1 3 404.514 3.628 20 0 HHADHM CCOC(=O)c1nc(C2CCN(C(=O)Nc3cc(C)c(Cl)c(C)c3)CC2)n[n-]1 ZINC000442496990 984999997 /nfs/dbraw/zinc/99/99/97/984999997.db2.gz QWKWNHCDXZAWHR-UHFFFAOYSA-N -1 3 405.886 3.663 20 0 HHADHM CCOC(=O)c1nnc(C2CCN(C(=O)Nc3cc(C)c(Cl)c(C)c3)CC2)[n-]1 ZINC000442496990 985000003 /nfs/dbraw/zinc/00/00/03/985000003.db2.gz QWKWNHCDXZAWHR-UHFFFAOYSA-N -1 3 405.886 3.663 20 0 HHADHM CC(C)[C@H](C)N1Cc2cccc([N-]S(=O)(=O)c3ccc(C(=O)N(C)C)cc3)c2C1 ZINC000442604399 985086865 /nfs/dbraw/zinc/08/68/65/985086865.db2.gz JKKYZWPRCPCFNT-INIZCTEOSA-N -1 3 415.559 3.549 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H]2C[C@@H]2c2c(F)cccc2F)s1 ZINC000462128163 985099015 /nfs/dbraw/zinc/09/90/15/985099015.db2.gz GKWSHAYDXFEMSG-UFBFGSQYSA-N -1 3 408.289 3.932 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]CC(C)(C)Oc2ccccc2)s1 ZINC000462131715 985103165 /nfs/dbraw/zinc/10/31/65/985103165.db2.gz ZQVDXBIMULSIIJ-UHFFFAOYSA-N -1 3 404.351 3.955 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@H](C)N(C)Cc2ccccc2)s1 ZINC000462139078 985110478 /nfs/dbraw/zinc/11/04/78/985110478.db2.gz MUNAXSQBWHWMOT-GFCCVEGCSA-N -1 3 417.394 3.618 20 0 HHADHM CCOc1ccccc1CC[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000462156150 985129498 /nfs/dbraw/zinc/12/94/98/985129498.db2.gz LNPJJJOCRNDOGT-UHFFFAOYSA-N -1 3 404.351 3.739 20 0 HHADHM O=S(=O)([N-]CCc1csc(-c2ccccc2)n1)c1cnccc1C(F)(F)F ZINC000442745155 985199726 /nfs/dbraw/zinc/19/97/26/985199726.db2.gz OFBXLDVOHLNEKE-UHFFFAOYSA-N -1 3 413.446 3.745 20 0 HHADHM CCC[C@@H]([N-]S(=O)(=O)c1c(C)csc1C(=O)OC)c1ccc(F)cc1F ZINC000442757606 985206415 /nfs/dbraw/zinc/20/64/15/985206415.db2.gz MQCSEXMAXDDVSH-CQSZACIVSA-N -1 3 403.472 3.941 20 0 HHADHM CO[C@@H](c1ccccc1Cl)[C@@H](C)[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000442765611 985208536 /nfs/dbraw/zinc/20/85/36/985208536.db2.gz VOQWICMZAXEHPM-MEBBXXQBSA-N -1 3 408.829 3.808 20 0 HHADHM O=S(=O)([N-][C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1cnccc1C(F)(F)F ZINC000442768281 985209379 /nfs/dbraw/zinc/20/93/79/985209379.db2.gz LEVFXQFTFILEHE-ZWNOBZJWSA-N -1 3 410.339 3.954 20 0 HHADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2Br)cc1C ZINC000442838720 985238586 /nfs/dbraw/zinc/23/85/86/985238586.db2.gz AOMZEHRKPKVCOH-UHFFFAOYSA-N -1 3 420.231 3.623 20 0 HHADHM CC(C)(C)OC(=O)CN[C@]1(C)CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000442845225 985243562 /nfs/dbraw/zinc/24/35/62/985243562.db2.gz TZQPIDDBFCCHEW-RUZDIDTESA-N -1 3 424.541 3.519 20 0 HHADHM O=S(=O)([N-]C[C@@H]1CCCO[C@H]1c1ccccc1)c1cnccc1C(F)(F)F ZINC000442906921 985272820 /nfs/dbraw/zinc/27/28/20/985272820.db2.gz IHLCMOADSSYRSS-YOEHRIQHSA-N -1 3 400.422 3.547 20 0 HHADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@H](CC(F)(F)F)c1ccccc1 ZINC000442916228 985278659 /nfs/dbraw/zinc/27/86/59/985278659.db2.gz ADOCJCUJAGOSKD-GFCCVEGCSA-N -1 3 407.435 3.815 20 0 HHADHM C[C@H](c1ccccc1Cl)N(C)S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000442932103 985286221 /nfs/dbraw/zinc/28/62/21/985286221.db2.gz WYTRBLMDUGLJKY-SNVBAGLBSA-N -1 3 412.302 3.555 20 0 HHADHM C[C@H](c1ccccc1Cl)N(C)S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000442932103 985286227 /nfs/dbraw/zinc/28/62/27/985286227.db2.gz WYTRBLMDUGLJKY-SNVBAGLBSA-N -1 3 412.302 3.555 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2CCC[C@H]2C)c(Br)c1 ZINC000462301642 985287309 /nfs/dbraw/zinc/28/73/09/985287309.db2.gz YXFUCAXULPKOHA-BXKDBHETSA-N -1 3 411.159 3.987 20 0 HHADHM C[C@H](NS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1cc2ccccc2s1 ZINC000442949083 985297615 /nfs/dbraw/zinc/29/76/15/985297615.db2.gz BEHQFDSRFPUWHW-JTQLQIEISA-N -1 3 419.919 3.774 20 0 HHADHM C[C@H](NS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)c1cc2ccccc2s1 ZINC000442949083 985297627 /nfs/dbraw/zinc/29/76/27/985297627.db2.gz BEHQFDSRFPUWHW-JTQLQIEISA-N -1 3 419.919 3.774 20 0 HHADHM O=C1[C@H]([N-]S(=O)(=O)c2ccc(Cl)s2)CCCN1c1ccccc1Cl ZINC000462314897 985302014 /nfs/dbraw/zinc/30/20/14/985302014.db2.gz IMKCNJNMQKAUAH-LLVKDONJSA-N -1 3 405.328 3.529 20 0 HHADHM O=S(=O)([N-]Cc1coc(-c2ccccc2)n1)c1cc(Br)ccc1F ZINC000462323734 985313243 /nfs/dbraw/zinc/31/32/43/985313243.db2.gz VIGBEWNWBZKKAJ-UHFFFAOYSA-N -1 3 411.252 3.722 20 0 HHADHM Cc1ccc(N2CCC([N-]S(=O)(=O)c3c(Cl)cccc3Cl)CC2)nc1 ZINC000462345425 985334871 /nfs/dbraw/zinc/33/48/71/985334871.db2.gz KJOWVXFYPAQSKB-UHFFFAOYSA-N -1 3 400.331 3.644 20 0 HHADHM Cc1ccc([C@@H]2C[C@H](C)CCN2S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)o1 ZINC000443017974 985338967 /nfs/dbraw/zinc/33/89/67/985338967.db2.gz ATYIBOCHUDXADL-BZNIZROVSA-N -1 3 421.910 3.583 20 0 HHADHM Cc1ccc([C@@H]2C[C@H](C)CCN2S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)o1 ZINC000443017974 985338973 /nfs/dbraw/zinc/33/89/73/985338973.db2.gz ATYIBOCHUDXADL-BZNIZROVSA-N -1 3 421.910 3.583 20 0 HHADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@H](c1ccc(CC(C)C)cc1)C1CC1 ZINC000443038100 985347762 /nfs/dbraw/zinc/34/77/62/985347762.db2.gz PEZVSBWUVCXZRK-QGZVFWFLSA-N -1 3 408.545 3.558 20 0 HHADHM CCc1nc([C@H](C)[N-]S(=O)(=O)c2c3ccccc3sc2C(=O)OC)cs1 ZINC000443081680 985366173 /nfs/dbraw/zinc/36/61/73/985366173.db2.gz WRJVSNCIEITNLF-JTQLQIEISA-N -1 3 410.542 3.746 20 0 HHADHM COC(=O)c1nscc1S(=O)(=O)[N-]CC1(c2ccccc2)CCCCCC1 ZINC000443080579 985366247 /nfs/dbraw/zinc/36/62/47/985366247.db2.gz NFKJEWYSISNONJ-UHFFFAOYSA-N -1 3 408.545 3.500 20 0 HHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)c1nc(C(C)(C)C)cs1 ZINC000443083670 985366632 /nfs/dbraw/zinc/36/66/32/985366632.db2.gz FEFKKPMGSXLAOT-SNVBAGLBSA-N -1 3 416.952 3.920 20 0 HHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000443098791 985374059 /nfs/dbraw/zinc/37/40/59/985374059.db2.gz YXDCZXUKXOMIAL-SNVBAGLBSA-N -1 3 405.369 3.671 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H](C)c2ccc3c(c2)OCCO3)s1 ZINC000462439171 985405662 /nfs/dbraw/zinc/40/56/62/985405662.db2.gz YTEFZRZDKJQULA-SNVBAGLBSA-N -1 3 418.334 3.630 20 0 HHADHM O=S(=O)([N-]CCCCOc1ccc(Cl)cc1)c1ccc(Br)cn1 ZINC000462443143 985409216 /nfs/dbraw/zinc/40/92/16/985409216.db2.gz CREYFFUOVYMALA-UHFFFAOYSA-N -1 3 419.728 3.635 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]CC1(c2cccs2)CCCCC1 ZINC000443248704 985459666 /nfs/dbraw/zinc/45/96/66/985459666.db2.gz LAURDNXECSVGRV-UHFFFAOYSA-N -1 3 411.520 3.854 20 0 HHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H](CO)c1c(F)cccc1F ZINC000443268582 985463484 /nfs/dbraw/zinc/46/34/84/985463484.db2.gz KVYYMGKGLRGUSH-AWEZNQCLSA-N -1 3 401.818 3.685 20 0 HHADHM O=S(=O)([N-][C@@H](CO)c1cccc(F)c1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000443275929 985466338 /nfs/dbraw/zinc/46/63/38/985466338.db2.gz YWKCZZISZJYRRK-HNNXBMFYSA-N -1 3 412.895 3.615 20 0 HHADHM O=S(=O)([N-]CC1(c2ccc(Cl)cc2)CCOCC1)c1cc(F)c(F)c(F)c1 ZINC000462539587 985487884 /nfs/dbraw/zinc/48/78/84/985487884.db2.gz WXUSDKWKFSFXEE-UHFFFAOYSA-N -1 3 419.852 3.784 20 0 HHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)c1c(F)cccc1Cl ZINC000443349833 985514417 /nfs/dbraw/zinc/51/44/17/985514417.db2.gz VTCPDFJXRABENI-SECBINFHSA-N -1 3 406.262 3.959 20 0 HHADHM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)[C@H](C)CC ZINC000462566981 985514793 /nfs/dbraw/zinc/51/47/93/985514793.db2.gz VRUAKDWDUPZGFH-RNCFNFMXSA-N -1 3 401.834 3.615 20 0 HHADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@H](C)[C@H]2c2ccccc2)cc1 ZINC000462572914 985520441 /nfs/dbraw/zinc/52/04/41/985520441.db2.gz ODJIALAHQDRCCK-JXFKEZNVSA-N -1 3 422.572 3.610 20 0 HHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](c1ccccc1)c1cccc(F)c1 ZINC000443366596 985526898 /nfs/dbraw/zinc/52/68/98/985526898.db2.gz UYUTVVAPUVGTRH-FQEVSTJZSA-N -1 3 417.433 3.819 20 0 HHADHM COc1ccccc1-c1noc([C@H](C)[N-]S(=O)(=O)c2ccc(C)c(Cl)c2)n1 ZINC000462651783 985591857 /nfs/dbraw/zinc/59/18/57/985591857.db2.gz ATZVSLWYACYHDH-LBPRGKRZSA-N -1 3 407.879 3.747 20 0 HHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C[C@@H](C)c2ccc(F)cc2F)cc1Cl ZINC000462656213 985596314 /nfs/dbraw/zinc/59/63/14/985596314.db2.gz GSRCQXIUKJVESE-SECBINFHSA-N -1 3 420.840 3.798 20 0 HHADHM C[C@@H]([N-]S(=O)(=O)c1ccccc1OC(F)F)c1nc(-c2cccc(F)c2)no1 ZINC000462659053 985598464 /nfs/dbraw/zinc/59/84/64/985598464.db2.gz PPVOIHLBTCXTRN-SNVBAGLBSA-N -1 3 413.377 3.517 20 0 HHADHM C[C@@H]([N-]S(=O)(=O)Cc1cccc2cccnc21)c1nc(-c2cccc(F)c2)no1 ZINC000462661185 985600870 /nfs/dbraw/zinc/60/08/70/985600870.db2.gz OYJFTPPJRZCCBE-CYBMUJFWSA-N -1 3 412.446 3.605 20 0 HHADHM CCC(=O)NCc1cc(S(=O)(=O)[N-]c2cc(CC)ccc2CC)ccc1OC ZINC000443468864 985644178 /nfs/dbraw/zinc/64/41/78/985644178.db2.gz XPUSBWWNTFRIFF-UHFFFAOYSA-N -1 3 404.532 3.647 20 0 HHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H](C)Cc2cc(C)cc(C)c2)cc1Cl ZINC000462706200 985650429 /nfs/dbraw/zinc/65/04/29/985650429.db2.gz VRHMZTLQYSZOLQ-ZDUSSCGKSA-N -1 3 412.914 3.964 20 0 HHADHM C[C@@H](C[N-]S(=O)(=O)c1cc(Br)ccc1Cl)Oc1ccccc1F ZINC000462708587 985653062 /nfs/dbraw/zinc/65/30/62/985653062.db2.gz XLWAHSDEFKXRJG-JTQLQIEISA-N -1 3 422.703 3.987 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](c1cccc(F)c1)C1CCCC1 ZINC000443480531 985655371 /nfs/dbraw/zinc/65/53/71/985655371.db2.gz CDXKUUORTQDOFE-IBGZPJMESA-N -1 3 409.454 3.961 20 0 HHADHM O=S(=O)([N-]CCC[C@@H]1CCCC[C@H]1O)c1cc(Br)ccc1Cl ZINC000443488593 985663218 /nfs/dbraw/zinc/66/32/18/985663218.db2.gz MGHQDPNROGUIJO-SMDDNHRTSA-N -1 3 410.761 3.712 20 0 HHADHM CO[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000462718640 985665695 /nfs/dbraw/zinc/66/56/95/985665695.db2.gz KJZHULHDXWKCDJ-NEPJUHHUSA-N -1 3 416.259 3.704 20 0 HHADHM CCOc1cccc(CC[N-]S(=O)(=O)c2c3ccccc3sc2C(=O)OC)c1 ZINC000443492902 985667208 /nfs/dbraw/zinc/66/72/08/985667208.db2.gz PVNBGVFOHIHGLL-UHFFFAOYSA-N -1 3 419.524 3.608 20 0 HHADHM O=S(=O)(NCc1ccc([O-])c(Br)c1)c1cccc(Cl)c1Cl ZINC000443494156 985668430 /nfs/dbraw/zinc/66/84/30/985668430.db2.gz VDVTYQIBRHTGNC-UHFFFAOYSA-N -1 3 411.104 3.940 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]CCCOc1ccc2ccccc2c1 ZINC000443496551 985669755 /nfs/dbraw/zinc/66/97/55/985669755.db2.gz DXBPQIGLUBAZOO-UHFFFAOYSA-N -1 3 417.458 3.513 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H]1CCOC2(CCCCC2)C1 ZINC000443502317 985674867 /nfs/dbraw/zinc/67/48/67/985674867.db2.gz RKNVQJQNHIOOQY-CQSZACIVSA-N -1 3 423.556 3.848 20 0 HHADHM CCC1(C)CN(C(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(OC)cc3)c2)C1 ZINC000462743897 985685996 /nfs/dbraw/zinc/68/59/96/985685996.db2.gz URXBZOWSSGIJDF-UHFFFAOYSA-N -1 3 402.516 3.677 20 0 HHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C1CC(c2ccc(F)c(Cl)c2)C1 ZINC000462798418 985730941 /nfs/dbraw/zinc/73/09/41/985730941.db2.gz LHNPWSKHMQHTAA-UHFFFAOYSA-N -1 3 415.845 3.629 20 0 HHADHM COc1ccc(-c2ncc(C(=O)[N-]c3cc(S(C)(=O)=O)ccc3F)s2)cc1 ZINC000443797323 985998030 /nfs/dbraw/zinc/99/80/30/985998030.db2.gz CTSSEBYWLZQIKV-UHFFFAOYSA-N -1 3 406.460 3.614 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNc3ccc(Cl)cn3)c2)cc1 ZINC000463051899 986009542 /nfs/dbraw/zinc/00/95/42/986009542.db2.gz FFVKNYJYJRMHAG-UHFFFAOYSA-N -1 3 403.891 4.157 20 0 HHADHM O=C(c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)N(Cc1ccccn1)C1CC1 ZINC000443926935 986132948 /nfs/dbraw/zinc/13/29/48/986132948.db2.gz JUJUFJAWRVKENC-UHFFFAOYSA-N -1 3 403.360 3.627 20 0 HHADHM O=C(c1ccc([O-])cc1)N1CCN(c2nc3ccccc3c(-c3ccccc3)n2)CC1 ZINC000443935223 986143715 /nfs/dbraw/zinc/14/37/15/986143715.db2.gz AOFFFBBNLTVMCN-UHFFFAOYSA-N -1 3 410.477 3.965 20 0 HHADHM O=S(=O)([N-][C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F)c1c[nH]c2ncccc12 ZINC000443968826 986176266 /nfs/dbraw/zinc/17/62/66/986176266.db2.gz OPNDDJPASIMUNP-ZDUSSCGKSA-N -1 3 407.776 3.937 20 0 HHADHM Cc1c(C(=O)Nc2ccc(C)cc2C)sc2[n-]c(CS[C@@H](C)CO)nc(=O)c12 ZINC000463218047 986190058 /nfs/dbraw/zinc/19/00/58/986190058.db2.gz ISLXWQJWCYYCOD-LBPRGKRZSA-N -1 3 417.556 3.776 20 0 HHADHM Cc1ccc(Cc2nnc([N-]C(=O)c3cn(-c4cccc(Cl)c4)nn3)s2)cc1 ZINC000444013000 986207291 /nfs/dbraw/zinc/20/72/91/986207291.db2.gz UEAZFFGRZHCYSX-UHFFFAOYSA-N -1 3 410.890 3.924 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1 ZINC000468539988 986245763 /nfs/dbraw/zinc/24/57/63/986245763.db2.gz GFKDKPIBTYSXGX-SFHVURJKSA-N -1 3 415.465 3.793 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@H](C)CCc2cccc(F)c2)cc1OC ZINC000463291476 986258014 /nfs/dbraw/zinc/25/80/14/986258014.db2.gz WPQCZTNLUCZUNN-CQSZACIVSA-N -1 3 408.495 3.803 20 0 HHADHM O=C(N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000468560638 986265660 /nfs/dbraw/zinc/26/56/60/986265660.db2.gz PVXMVORTRHVYIP-MRXNPFEDSA-N -1 3 421.453 3.640 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]c2cc(CN(C)C)ccc2C)sc1Br ZINC000444196344 986373708 /nfs/dbraw/zinc/37/37/08/986373708.db2.gz MEBSWCSLWSVUBZ-UHFFFAOYSA-N -1 3 403.367 3.990 20 0 HHADHM C[C@@H]1[C@@H]([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2Cl)CCCN1C ZINC000444212968 986396613 /nfs/dbraw/zinc/39/66/13/986396613.db2.gz OJSPMGIQLGXCRR-SCZZXKLOSA-N -1 3 416.168 3.517 20 0 HHADHM CCOC(C)(C)C[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000444279726 986469665 /nfs/dbraw/zinc/46/96/65/986469665.db2.gz GVSHXHMCCKHLNE-UHFFFAOYSA-N -1 3 404.248 3.561 20 0 HHADHM CCCCOC1CCN(C(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)CC1 ZINC000444296537 986482840 /nfs/dbraw/zinc/48/28/40/986482840.db2.gz YTEMKEHJEKKMPR-UHFFFAOYSA-N -1 3 412.408 3.848 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H]3CC[C@H](C)C3)ccc2C)cc1 ZINC000444322089 986503054 /nfs/dbraw/zinc/50/30/54/986503054.db2.gz WIPCKCBMBXMLHZ-KBXCAEBGSA-N -1 3 402.516 3.723 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H]3CC[C@@H](C)C3)ccc2C)cc1 ZINC000444322092 986503167 /nfs/dbraw/zinc/50/31/67/986503167.db2.gz WIPCKCBMBXMLHZ-RDTXWAMCSA-N -1 3 402.516 3.723 20 0 HHADHM Cc1ccc(C2=CCN(C(=O)c3c[n-]c4ccc(Br)cc4c3=O)CC2)cn1 ZINC000444348480 986532533 /nfs/dbraw/zinc/53/25/33/986532533.db2.gz BIWNJFWJAQERHL-UHFFFAOYSA-N -1 3 424.298 3.924 20 0 HHADHM COc1ccc(Cl)cc1N1CC[C@H](NC(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000468836199 986546199 /nfs/dbraw/zinc/54/61/99/986546199.db2.gz FSYGVPKKMSAXCM-INIZCTEOSA-N -1 3 406.885 3.911 20 0 HHADHM C[S@@](=O)Cc1ccccc1NC(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC000444370264 986547614 /nfs/dbraw/zinc/54/76/14/986547614.db2.gz XNIBOWMDBADUNM-GDLZYMKVSA-N -1 3 424.400 3.558 20 0 HHADHM Cc1ccc(C(=O)NC2CCN(C(=O)CCCc3ccc([O-])c(F)c3)CC2)s1 ZINC000468861254 986570904 /nfs/dbraw/zinc/57/09/04/986570904.db2.gz GXQLQFPDDOSERN-UHFFFAOYSA-N -1 3 404.507 3.645 20 0 HHADHM CCc1[nH]nc(C(=O)Nc2cccc(-c3nc(CC)cc(=O)[n-]3)c2)c1Br ZINC000468884079 986591454 /nfs/dbraw/zinc/59/14/54/986591454.db2.gz HJPQHYZUWCCXCD-UHFFFAOYSA-N -1 3 416.279 3.712 20 0 HHADHM O=C([N-]c1nnc(-c2cccc(Cl)c2)s1)c1cn(Cc2cccc(F)c2)nn1 ZINC000468890771 986597370 /nfs/dbraw/zinc/59/73/70/986597370.db2.gz JGBYHYYNDSGBPN-UHFFFAOYSA-N -1 3 414.853 3.890 20 0 HHADHM O=S(=O)([N-]C[C@@H]1CCCN(Cc2cccs2)C1)c1c(F)cccc1Cl ZINC000463694082 986677230 /nfs/dbraw/zinc/67/72/30/986677230.db2.gz AGJFYSXIIBJXRK-ZDUSSCGKSA-N -1 3 402.944 3.731 20 0 HHADHM Cc1cccc([N-]S(=O)(=O)c2cc3c(cc2Cl)OCCO3)c1Br ZINC000468975856 986680722 /nfs/dbraw/zinc/68/07/22/986680722.db2.gz OVBAJEMGFPZWTF-UHFFFAOYSA-N -1 3 418.696 3.983 20 0 HHADHM C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])c1ccc(Br)s1 ZINC000444532391 986719784 /nfs/dbraw/zinc/71/97/84/986719784.db2.gz GJNTUUBKAZRMHY-WCQYABFASA-N -1 3 423.332 3.698 20 0 HHADHM CN1CCO[C@H]([C@@H](NC(=O)CCCc2ccc([O-])c(F)c2)c2ccc(Cl)cc2)C1 ZINC000469047557 986757517 /nfs/dbraw/zinc/75/75/17/986757517.db2.gz SOBFSIULBLOCIR-UNMCSNQZSA-N -1 3 420.912 3.696 20 0 HHADHM CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)Nc2c(F)cccc2NC2CC2)cc1 ZINC000469058039 986769505 /nfs/dbraw/zinc/76/95/05/986769505.db2.gz WGHPJSAIIDZXKK-UHFFFAOYSA-N -1 3 421.494 3.568 20 0 HHADHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)Nc1cccc2c1OCCC2 ZINC000469192766 986916876 /nfs/dbraw/zinc/91/68/76/986916876.db2.gz XJXADEZWKUXXQO-UHFFFAOYSA-N -1 3 417.421 3.570 20 0 HHADHM CCOC(=O)c1nc(C2CCN(C(=O)[C@@H](c3cccc(Cl)c3)C(C)C)CC2)n[n-]1 ZINC000444761277 986922381 /nfs/dbraw/zinc/92/23/81/986922381.db2.gz WFJIAGQJIKARNU-QGZVFWFLSA-N -1 3 418.925 3.781 20 0 HHADHM CCOC(=O)c1nnc(C2CCN(C(=O)[C@@H](c3cccc(Cl)c3)C(C)C)CC2)[n-]1 ZINC000444761277 986922399 /nfs/dbraw/zinc/92/23/99/986922399.db2.gz WFJIAGQJIKARNU-QGZVFWFLSA-N -1 3 418.925 3.781 20 0 HHADHM O=C(CN[C@H](c1ccccc1)C(F)(F)F)NCc1ccc([O-])c(Br)c1 ZINC000469199426 986923823 /nfs/dbraw/zinc/92/38/23/986923823.db2.gz TTYUVGIMKXIHPQ-MRXNPFEDSA-N -1 3 417.225 3.664 20 0 HHADHM Cc1ccc(NC(=O)c2cncc(F)c2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000469238504 986959161 /nfs/dbraw/zinc/95/91/61/986959161.db2.gz OLOYBWWFBMDFRM-UHFFFAOYSA-N -1 3 403.410 3.721 20 0 HHADHM CC(C)CO[C@@H]1CCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)C1 ZINC000469241428 986961712 /nfs/dbraw/zinc/96/17/12/986961712.db2.gz KMECYOIYUWTHNU-QGZVFWFLSA-N -1 3 420.506 3.514 20 0 HHADHM CCOC(=O)c1nc(C2CCN(C(=O)N[C@H](CC(C)C)c3ccccc3)CC2)n[n-]1 ZINC000444846392 987004969 /nfs/dbraw/zinc/00/49/69/987004969.db2.gz JBFGEWXVNLWRIW-GOSISDBHSA-N -1 3 413.522 3.658 20 0 HHADHM CCOC(=O)c1nnc(C2CCN(C(=O)N[C@H](CC(C)C)c3ccccc3)CC2)[n-]1 ZINC000444846392 987004977 /nfs/dbraw/zinc/00/49/77/987004977.db2.gz JBFGEWXVNLWRIW-GOSISDBHSA-N -1 3 413.522 3.658 20 0 HHADHM CC(F)(F)c1cccc(NC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000444933229 987078347 /nfs/dbraw/zinc/07/83/47/987078347.db2.gz QIBWBEZTXADRIA-UHFFFAOYSA-N -1 3 403.429 3.930 20 0 HHADHM CCCCc1ccc(NC(=O)Cc2noc(-c3cc(OC)c([O-])c(OC)c3)n2)cc1 ZINC000445337115 987393842 /nfs/dbraw/zinc/39/38/42/987393842.db2.gz NIACKZCRUIKWBY-UHFFFAOYSA-N -1 3 411.458 3.983 20 0 HHADHM O=C(Cc1noc(-c2cc3c(cc2[O-])OCO3)n1)Nc1cccc(Cl)c1Cl ZINC000445381414 987439743 /nfs/dbraw/zinc/43/97/43/987439743.db2.gz WRPHGAXAEMKWAE-UHFFFAOYSA-N -1 3 408.197 3.659 20 0 HHADHM CCCCCn1c2nnc(S[C@@H](C)c3nc(C)cc(=O)[n-]3)n2c2ccccc2c1=O ZINC000469805457 987445774 /nfs/dbraw/zinc/44/57/74/987445774.db2.gz BIQXAOZGGFETQJ-AWEZNQCLSA-N -1 3 424.530 3.892 20 0 HHADHM CN1C(=O)C[C@@H](NC(=O)CCCc2ccc([O-])c(F)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000469815269 987454129 /nfs/dbraw/zinc/45/41/29/987454129.db2.gz BZTQBBLUWPOBTR-UTKZUKDTSA-N -1 3 404.869 3.596 20 0 HHADHM CO[C@H]1CN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)ccc2C)CC[C@@H]1C ZINC000469876316 987514514 /nfs/dbraw/zinc/51/45/14/987514514.db2.gz SOQQDESOPKLNPO-UWJYYQICSA-N -1 3 416.543 3.601 20 0 HHADHM Cc1cc(F)cc(-n2cc(C(=O)[N-]c3nnc(-c4cc(F)ccc4C)s3)nn2)c1 ZINC000469885043 987521958 /nfs/dbraw/zinc/52/19/58/987521958.db2.gz RBNKDLFOMYQWDI-UHFFFAOYSA-N -1 3 412.425 3.933 20 0 HHADHM CC[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)C(F)(F)F ZINC000469925853 987553631 /nfs/dbraw/zinc/55/36/31/987553631.db2.gz SSXZSYSRSMFBOD-HNNXBMFYSA-N -1 3 404.385 3.697 20 0 HHADHM O=S(=O)([N-][C@H](c1nc[nH]n1)c1ccccc1)c1ccc(Cl)cc1C(F)(F)F ZINC000445714613 987779456 /nfs/dbraw/zinc/77/94/56/987779456.db2.gz UGJNRXGMFYVQGZ-AWEZNQCLSA-N -1 3 416.812 3.545 20 0 HHADHM CO[C@H](C)[C@H](C)NC(=O)c1ccc(C)c([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000470207520 988131785 /nfs/dbraw/zinc/13/17/85/988131785.db2.gz DGZLQASUGRTUEA-ZWKOTPCHSA-N -1 3 418.559 3.874 20 0 HHADHM CCc1cnc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)s1 ZINC000464091401 988213219 /nfs/dbraw/zinc/21/32/19/988213219.db2.gz RSPSWVYXGOYCBV-UHFFFAOYSA-N -1 3 405.476 3.898 20 0 HHADHM COc1ccccc1C(=O)C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000464190157 988310580 /nfs/dbraw/zinc/31/05/80/988310580.db2.gz ZXQLEBZVBQUVHF-UHFFFAOYSA-N -1 3 407.797 3.529 20 0 HHADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H]1CCCc2sc(-c3ccc(F)cc3)nc21 ZINC000464218006 988334277 /nfs/dbraw/zinc/33/42/77/988334277.db2.gz WAJSAMSMVBALFM-AWEZNQCLSA-N -1 3 407.492 3.910 20 0 HHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C1CCN(C(=O)c2ccco2)CC1 ZINC000470547322 988557150 /nfs/dbraw/zinc/55/71/50/988557150.db2.gz OFSLNTVHHCHBRT-UHFFFAOYSA-N -1 3 422.890 3.571 20 0 HHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C1CCN(Cc2ccccn2)CC1 ZINC000470606112 988625103 /nfs/dbraw/zinc/62/51/03/988625103.db2.gz KOICMTVGXGJAGH-UHFFFAOYSA-N -1 3 419.934 3.733 20 0 HHADHM CC[C@@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C)c1ncc[nH]1 ZINC000470698035 988721625 /nfs/dbraw/zinc/72/16/25/988721625.db2.gz CDLVJIGOLXQZIQ-GOSISDBHSA-N -1 3 416.478 3.539 20 0 HHADHM CC[C@H](CN(C)C(=O)c1cnc2c(cnn2C)c1[O-])Oc1ccc(Cl)c(Cl)c1 ZINC000470723902 988750885 /nfs/dbraw/zinc/75/08/85/988750885.db2.gz QFEZQIXASWIZPS-LLVKDONJSA-N -1 3 423.300 3.910 20 0 HHADHM O=S(=O)([N-]CCc1nc2ccccc2s1)c1cc(Br)ccc1F ZINC000470772853 988818985 /nfs/dbraw/zinc/81/89/85/988818985.db2.gz MAQXLHJTTXBSRB-UHFFFAOYSA-N -1 3 415.309 3.719 20 0 HHADHM COc1cc(C(=O)N[C@@H](C)c2ccc(Br)cc2OC)cc(OC)c1[O-] ZINC000470836461 988911753 /nfs/dbraw/zinc/91/17/53/988911753.db2.gz NCSILSKXZXYEOH-JTQLQIEISA-N -1 3 410.264 3.672 20 0 HHADHM COc1cc(C(=O)N[C@H](C)c2ccc(Br)cc2OC)cc(OC)c1[O-] ZINC000470836464 988911915 /nfs/dbraw/zinc/91/19/15/988911915.db2.gz NCSILSKXZXYEOH-SNVBAGLBSA-N -1 3 410.264 3.672 20 0 HHADHM COC(=O)c1sc2[n-]c(CN3CC[C@H](C)C[C@@H]3c3ccc(C)o3)nc(=O)c2c1C ZINC000464835434 989078380 /nfs/dbraw/zinc/07/83/80/989078380.db2.gz INTDSNCYOYLLDT-SMDDNHRTSA-N -1 3 415.515 3.954 20 0 HHADHM COc1ccccc1N1CC[C@H](NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)C1 ZINC000464908368 989183121 /nfs/dbraw/zinc/18/31/21/989183121.db2.gz AUEIPWQLYKBGQH-SFHVURJKSA-N -1 3 419.485 3.567 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N(C)Cc2ccccc2SC)cc1OC ZINC000471242167 989388416 /nfs/dbraw/zinc/38/84/16/989388416.db2.gz UKMNCABUBHKJCI-UHFFFAOYSA-N -1 3 423.560 3.843 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3C[C@@H]4CCC[C@@H]4C3)c2)cc1 ZINC000465088896 989411287 /nfs/dbraw/zinc/41/12/87/989411287.db2.gz FNDYAFJRTCAMGE-CALCHBBNSA-N -1 3 414.527 3.677 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3noc(-c4cccc(OC)c4)n3)c2)n1 ZINC000471471920 989667911 /nfs/dbraw/zinc/66/79/11/989667911.db2.gz PVTHSPUAJFIYQG-UHFFFAOYSA-N -1 3 417.425 3.723 20 0 HHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000471602553 989806391 /nfs/dbraw/zinc/80/63/91/989806391.db2.gz OKPPRCACEFKAED-SFHVURJKSA-N -1 3 406.829 3.530 20 0 HHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CC(=O)Nc1c(C)cc(C)cc1C ZINC000471689582 989892137 /nfs/dbraw/zinc/89/21/37/989892137.db2.gz RYOLPGFQJPJBFV-UHFFFAOYSA-N -1 3 404.463 3.723 20 0 HHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)CSc1ccc(O)cc1 ZINC000465547751 989911461 /nfs/dbraw/zinc/91/14/61/989911461.db2.gz STHJOJRXIPWMFB-UHFFFAOYSA-N -1 3 420.434 3.513 20 0 HHADHM Cc1cc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3ccc4ncccc4c3)n2)ccc1F ZINC000471874796 990046577 /nfs/dbraw/zinc/04/65/77/990046577.db2.gz WEWARYNNWSGQKK-CYBMUJFWSA-N -1 3 412.446 3.772 20 0 HHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](C)c1cn(-c2ccccc2)nn1 ZINC000471892065 990064742 /nfs/dbraw/zinc/06/47/42/990064742.db2.gz FLSWLAWSJUVRNR-CYBMUJFWSA-N -1 3 400.435 3.501 20 0 HHADHM CC(C)Oc1cc(Br)cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000471906836 990075475 /nfs/dbraw/zinc/07/54/75/990075475.db2.gz SALIRMDNKABFCF-UHFFFAOYSA-N -1 3 402.252 3.669 20 0 HHADHM CC(C)Oc1cc(Br)cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000471906836 990075483 /nfs/dbraw/zinc/07/54/83/990075483.db2.gz SALIRMDNKABFCF-UHFFFAOYSA-N -1 3 402.252 3.669 20 0 HHADHM COC(=O)[C@@H](NC(=O)c1cc([O-])c2ccccc2c1)c1ccc(Br)cc1 ZINC000471943801 990107782 /nfs/dbraw/zinc/10/77/82/990107782.db2.gz OLCGPMOBEBUCJR-SFHVURJKSA-N -1 3 414.255 3.952 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CC[C@@H](C)[C@H]1c1cccc(F)c1 ZINC000472043527 990213468 /nfs/dbraw/zinc/21/34/68/990213468.db2.gz VAUJWKYPYYPRQE-QRQCRPRQSA-N -1 3 420.488 3.822 20 0 HHADHM CCN(CCOc1ccc(Br)cc1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000465985098 991144669 /nfs/dbraw/zinc/14/46/69/991144669.db2.gz UFIRWNGBWOOWAL-UHFFFAOYSA-N -1 3 411.271 3.904 20 0 HHADHM O=c1nc(CS(=O)(=O)C2CC2)[n-]c2sc3c(c21)CC[C@@H](c1ccccc1)C3 ZINC000466402717 991696801 /nfs/dbraw/zinc/69/68/01/991696801.db2.gz ABHBZJLACSTNTG-CYBMUJFWSA-N -1 3 400.525 3.747 20 0 HHADHM C[C@@]1(C[N-]S(=O)(=O)c2cc(Br)ccc2Cl)CCO[C@H]1C1CC1 ZINC000466557422 991871045 /nfs/dbraw/zinc/87/10/45/991871045.db2.gz VWHYIJAPYCOQRI-GJZGRUSLSA-N -1 3 408.745 3.586 20 0 HHADHM Cc1nc(C)c(CCC(=O)N2CCC(c3cccc(Br)c3)CC2)c(=O)[n-]1 ZINC000466805986 992115467 /nfs/dbraw/zinc/11/54/67/992115467.db2.gz SFWBFPRXOPRHJO-UHFFFAOYSA-N -1 3 418.335 3.900 20 0 HHADHM COC[C@@H]1CCCCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)C1 ZINC000466841963 992154454 /nfs/dbraw/zinc/15/44/54/992154454.db2.gz ODQDUJBJSXUKIU-MRXNPFEDSA-N -1 3 420.506 3.515 20 0 HHADHM CC(C)([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)c1nc(C(F)(F)F)cs1 ZINC000466868239 992188567 /nfs/dbraw/zinc/18/85/67/992188567.db2.gz PGSCSXFVPAZSMY-UHFFFAOYSA-N -1 3 404.357 3.793 20 0 HHADHM O=S(=O)([N-]c1ccc(OCC2CC2)cc1)c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC000466964752 992275844 /nfs/dbraw/zinc/27/58/44/992275844.db2.gz QRJQZBBEIWXZMS-MRXNPFEDSA-N -1 3 421.490 3.831 20 0 HHADHM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(OCCC(C)C)cc3)ccc21 ZINC000467074422 992380315 /nfs/dbraw/zinc/38/03/15/992380315.db2.gz KINBOIFOBXQYFV-UHFFFAOYSA-N -1 3 402.516 3.821 20 0 HHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(-n3nc(C)cc3C)c(F)c2)ccc1C ZINC000467081333 992388109 /nfs/dbraw/zinc/38/81/09/992388109.db2.gz ZNSFPWQTTCQRHU-UHFFFAOYSA-N -1 3 417.462 3.524 20 0 HHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)cc2)ccc1C ZINC000467082773 992388672 /nfs/dbraw/zinc/38/86/72/992388672.db2.gz UMCRJOYRKZMEJC-UHFFFAOYSA-N -1 3 403.378 3.524 20 0 HHADHM NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC3CCCCC3)cc2)c(F)c1 ZINC000467307823 992631998 /nfs/dbraw/zinc/63/19/98/992631998.db2.gz MFRMJLOOJRJELO-UHFFFAOYSA-N -1 3 406.479 3.685 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC[C@@H]3C)cc2C)cc1C(N)=O ZINC000467428024 992727497 /nfs/dbraw/zinc/72/74/97/992727497.db2.gz IKHQGJAORQSWQT-INIZCTEOSA-N -1 3 401.532 3.582 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)Nc1cncc(F)c1 ZINC000467648654 992909538 /nfs/dbraw/zinc/90/95/38/992909538.db2.gz BYXVSUNZODDUJL-UHFFFAOYSA-N -1 3 403.410 3.721 20 0 HHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2ccc(-c3ccncc3)cc2)s1 ZINC000467791401 993026850 /nfs/dbraw/zinc/02/68/50/993026850.db2.gz ZTMXIKSJKHNDRG-CYBMUJFWSA-N -1 3 402.497 3.636 20 0 HHADHM O=C(NCc1ccc(Br)cc1C(F)(F)F)NCc1ncccc1[O-] ZINC000472108770 993159934 /nfs/dbraw/zinc/15/99/34/993159934.db2.gz SKZSIQRULVJJHV-UHFFFAOYSA-N -1 3 404.186 3.568 20 0 HHADHM COc1ccc(NC(=O)c2cc([O-])c3ccccc3c2)cc1-n1nnnc1C1CC1 ZINC000472269692 993292104 /nfs/dbraw/zinc/29/21/04/993292104.db2.gz QAGKEHKBNOSMOS-UHFFFAOYSA-N -1 3 401.426 3.659 20 0 HHADHM COCCC1(C[N-]S(=O)(=O)c2cc(Br)ccc2Cl)CCCC1 ZINC000472314965 993326794 /nfs/dbraw/zinc/32/67/94/993326794.db2.gz HXPKRQHIRKYTNQ-UHFFFAOYSA-N -1 3 410.761 3.978 20 0 HHADHM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2ccc(Br)cc2C)o1 ZINC000472585836 993548544 /nfs/dbraw/zinc/54/85/44/993548544.db2.gz MIPZZSVMROKAOG-CQSZACIVSA-N -1 3 402.310 3.579 20 0 HHADHM Cc1ccccc1-c1nc(C[N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)no1 ZINC000480733990 993599917 /nfs/dbraw/zinc/59/99/17/993599917.db2.gz BLLCUZVCZPQRLE-UHFFFAOYSA-N -1 3 411.405 3.628 20 0 HHADHM CCC(=O)c1ccc(OCCCCC(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000472781683 993721544 /nfs/dbraw/zinc/72/15/44/993721544.db2.gz CACHUQPKXSQUHD-UHFFFAOYSA-N -1 3 418.515 3.839 20 0 HHADHM CN(Cc1ccccc1)c1ccccc1NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000480850557 993722998 /nfs/dbraw/zinc/72/29/98/993722998.db2.gz YIOBJFYXTCHNKM-UHFFFAOYSA-N -1 3 404.396 3.782 20 0 HHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CCC3(CCCCC3)O2)cc1Cl ZINC000480863428 993735412 /nfs/dbraw/zinc/73/54/12/993735412.db2.gz LKMDSRZCZWAKOK-ZDUSSCGKSA-N -1 3 418.918 3.598 20 0 HHADHM COc1cc(Oc2ccccc2)ccc1NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000480979463 993820210 /nfs/dbraw/zinc/82/02/10/993820210.db2.gz MHYMKPQGWJTLQY-UHFFFAOYSA-N -1 3 407.352 3.946 20 0 HHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1ccc(OC2CCC2)c(F)c1 ZINC000480989544 993831881 /nfs/dbraw/zinc/83/18/81/993831881.db2.gz ZJDZEKCVMMZOTH-UHFFFAOYSA-N -1 3 408.433 3.804 20 0 HHADHM COCCOc1ccc(S(=O)(=O)[N-]c2cc(NC(=O)C(C)(C)C)ccc2C)cc1 ZINC000481147993 993981320 /nfs/dbraw/zinc/98/13/20/993981320.db2.gz VXUWRHUZTVRKKR-UHFFFAOYSA-N -1 3 420.531 3.806 20 0 HHADHM Cc1cccc(Oc2ccc(NC(=O)NCc3nc(C(F)(F)F)n[n-]3)cn2)c1C ZINC000481202923 994036229 /nfs/dbraw/zinc/03/62/29/994036229.db2.gz AISSJOWVWIUZGN-UHFFFAOYSA-N -1 3 406.368 3.949 20 0 HHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 ZINC000481211709 994045026 /nfs/dbraw/zinc/04/50/26/994045026.db2.gz CCWOGHVVRCBSSA-RBUKOAKNSA-N -1 3 411.458 3.900 20 0 HHADHM Cc1nc2ccccc2n1C1CCN(C(=O)c2cnc3nc(C)ccc3c2[O-])CC1 ZINC000481402382 994235924 /nfs/dbraw/zinc/23/59/24/994235924.db2.gz JOKACNNODNQBDC-UHFFFAOYSA-N -1 3 401.470 3.779 20 0 HHADHM O=S(=O)(Cc1ccc(F)c(Cl)c1)[N-][C@@H](CO)c1c(Cl)cccc1Cl ZINC000481504558 994336396 /nfs/dbraw/zinc/33/63/96/994336396.db2.gz FFRJHRGQMXJPSX-AWEZNQCLSA-N -1 3 412.697 3.939 20 0 HHADHM CC(C)CNC(=O)N1CCC[C@H](CC(=O)Nc2ccc([O-])c(C(F)(F)F)c2)C1 ZINC000473595681 994475937 /nfs/dbraw/zinc/47/59/37/994475937.db2.gz ZQMYOAVCNGIRJI-CYBMUJFWSA-N -1 3 401.429 3.817 20 0 HHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)c1 ZINC000473607241 994487115 /nfs/dbraw/zinc/48/71/15/994487115.db2.gz IZCRYLKZBGSACU-BLLLJJGKSA-N -1 3 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Cc1csc(C2([N-]S(=O)(=O)c3sc(C)cc3Br)CCC2)n1 ZINC000474112429 995089867 /nfs/dbraw/zinc/08/98/67/995089867.db2.gz IDCBIJXRSWAQPK-UHFFFAOYSA-N -1 3 407.380 3.942 20 0 HHADHM C[C@H](NC(=O)c1[nH]c(=O)[n-]c(=O)c1N)c1ccc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000482146656 995097311 /nfs/dbraw/zinc/09/73/11/995097311.db2.gz VUMJSVWLUPYELU-QMMMGPOBSA-N -1 3 424.404 3.708 20 0 HHADHM COC[C@@H]([N-]S(=O)(=O)c1ccc(OCC(F)F)c2ccccc21)c1ccco1 ZINC000474188983 995179782 /nfs/dbraw/zinc/17/97/82/995179782.db2.gz JQRWXFPATGGMKI-OAHLLOKOSA-N -1 3 411.426 3.743 20 0 HHADHM Cc1ccc(C)c(C(=O)c2ccccc2C(=O)NCc2nc(C(F)(F)F)n[n-]2)c1 ZINC000482209263 995192667 /nfs/dbraw/zinc/19/26/67/995192667.db2.gz JAYRUMPANJMSFU-UHFFFAOYSA-N -1 3 402.376 3.601 20 0 HHADHM Cc1c2cccc(Br)c2oc1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000482214852 995200308 /nfs/dbraw/zinc/20/03/08/995200308.db2.gz UYJZDBWTZGNQFA-UHFFFAOYSA-N -1 3 403.158 3.571 20 0 HHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc(-c3cccnc3)cc2)s1 ZINC000474213467 995207792 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HHADHM Cc1cccc(C)c1NC(=O)C(=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000482831192 995778068 /nfs/dbraw/zinc/77/80/68/995778068.db2.gz XARGKYTVDSXOGW-UHFFFAOYSA-N -1 3 403.269 3.999 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N[C@H](CCc1ccccc1)c1ccccc1 ZINC000482868729 995804366 /nfs/dbraw/zinc/80/43/66/995804366.db2.gz RCSQSFJXLNWNNL-MRXNPFEDSA-N -1 3 403.408 3.997 20 0 HHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1ccccc1CN(C)Cc1ccco1 ZINC000475003377 995859927 /nfs/dbraw/zinc/85/99/27/995859927.db2.gz SANXWMGVLGIEBW-UHFFFAOYSA-N -1 3 422.529 3.943 20 0 HHADHM Cc1ccc(Oc2ccccc2CNC(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000483045839 995939356 /nfs/dbraw/zinc/93/93/56/995939356.db2.gz DOFUREYNHKUSLC-UHFFFAOYSA-N -1 3 405.380 3.924 20 0 HHADHM Cc1ccc(CNC(=O)NCc2nc(C(F)(F)F)n[n-]2)c(Oc2ccccc2)c1 ZINC000483136618 995996509 /nfs/dbraw/zinc/99/65/09/995996509.db2.gz SCBZPDVPSRJEEZ-UHFFFAOYSA-N -1 3 405.380 3.924 20 0 HHADHM CCOC(=O)Cc1cccc(NC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000483159105 996009195 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Cc1ccc(-n2cccn2)cc1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000475613750 996248624 /nfs/dbraw/zinc/24/86/24/996248624.db2.gz SXOSXDULJIZXDP-UHFFFAOYSA-N -1 3 401.264 3.971 20 0 HHADHM O=S(=O)([N-][C@H](c1ccccc1)[C@@H]1CCCO1)c1ccc(Br)cc1F ZINC000475760340 996353913 /nfs/dbraw/zinc/35/39/13/996353913.db2.gz PTDGOZNPVIOKGZ-DOTOQJQBSA-N -1 3 414.296 3.787 20 0 HHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cc(Br)ccc1Br ZINC000475923708 996474279 /nfs/dbraw/zinc/47/42/79/996474279.db2.gz XQFRYIMEIDNFEU-UHFFFAOYSA-N -1 3 423.068 3.644 20 0 HHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc(Br)ccc1Br ZINC000475923708 996474286 /nfs/dbraw/zinc/47/42/86/996474286.db2.gz XQFRYIMEIDNFEU-UHFFFAOYSA-N -1 3 423.068 3.644 20 0 HHADHM O=S(=O)([N-]c1ccc2nc(-c3ccccn3)[nH]c2c1)c1ccc2ncccc2c1 ZINC000484179820 996620418 /nfs/dbraw/zinc/62/04/18/996620418.db2.gz ZAFUVKITXSJGIO-UHFFFAOYSA-N -1 3 401.451 3.974 20 0 HHADHM COC(=O)[C@@](C)([N-]S(=O)(=O)Cc1cccc(F)c1)c1ccc(Cl)c(Cl)c1 ZINC000476133174 996623351 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408.926 3.818 20 0 HHADHM CO[C@H]1CCC[C@@H](CC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)C1 ZINC000476341277 996766252 /nfs/dbraw/zinc/76/62/52/996766252.db2.gz YITBPPGNKQXVAD-PBHICJAKSA-N -1 3 408.926 3.818 20 0 HHADHM Cc1csc(C2([N-]S(=O)(=O)c3ccc(Br)cc3F)CCC2)n1 ZINC000476341257 996766546 /nfs/dbraw/zinc/76/65/46/996766546.db2.gz KTUYPNLETQDHCY-UHFFFAOYSA-N -1 3 405.314 3.711 20 0 HHADHM CC(C)(C)c1ccc(NC(=O)C(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000484517816 996848475 /nfs/dbraw/zinc/84/84/75/996848475.db2.gz HDEIBJSTBAIMFR-UHFFFAOYSA-N -1 3 405.292 3.707 20 0 HHADHM CC(C)c1csc(C[N-]S(=O)(=O)c2ccccc2C(=O)c2ccccc2)n1 ZINC000476406944 996866047 /nfs/dbraw/zinc/86/60/47/996866047.db2.gz FLIHTTVSSGQPBD-UHFFFAOYSA-N -1 3 400.525 3.976 20 0 HHADHM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCCC[C@@H]3O)cc2)cc1 ZINC000484611744 996943981 /nfs/dbraw/zinc/94/39/81/996943981.db2.gz DQWJDGJOCNDIPE-VQTJNVASSA-N -1 3 418.515 3.518 20 0 HHADHM COC(=O)c1cc(C)nc2nc(S[C@@H](C)c3ncc(C(C)(C)C)o3)[n-]c(=O)c21 ZINC000476482119 996962645 /nfs/dbraw/zinc/96/26/45/996962645.db2.gz NSWSGROZYRGNIH-JTQLQIEISA-N -1 3 402.476 3.964 20 0 HHADHM Cc1nc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(OC(C)C)c(C)c3)c2)n[nH]1 ZINC000484638906 996973681 /nfs/dbraw/zinc/97/36/81/996973681.db2.gz XPGDEUCHVFRUQN-UHFFFAOYSA-N -1 3 400.504 3.985 20 0 HHADHM CCOC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C(C)C)cc1)c1ccc(OC)c(F)c1 ZINC000476564114 997058434 /nfs/dbraw/zinc/05/84/34/997058434.db2.gz AKOIZGIGIJDRAU-LJQANCHMSA-N -1 3 409.479 3.540 20 0 HHADHM COCCn1c(C)c(C)c2cc(C(=O)Nc3ccccc3[N-]S(C)(=O)=O)ccc21 ZINC000484763347 997105559 /nfs/dbraw/zinc/10/55/59/997105559.db2.gz YRECOBDBNVBWOF-UHFFFAOYSA-N -1 3 415.515 3.528 20 0 HHADHM CCCOC1(C[N-]S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)CCCCC1 ZINC000484765110 997108380 /nfs/dbraw/zinc/10/83/80/997108380.db2.gz DTBRQBDIZSCNJO-UHFFFAOYSA-N -1 3 420.934 3.845 20 0 HHADHM CCCCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)C1(C)C ZINC000484777705 997125544 /nfs/dbraw/zinc/12/55/44/997125544.db2.gz AOLMZBKRKHLUIY-DLBZAZTESA-N -1 3 420.934 3.700 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N[C@H](C)[C@@H](C)c3ccccc3)c2)n1 ZINC000476615073 997130555 /nfs/dbraw/zinc/13/05/55/997130555.db2.gz YJXHRKACCQVEFO-HZPDHXFCSA-N -1 3 418.497 3.659 20 0 HHADHM CCc1c(NC(=O)NCc2cnc(C)[n-]c2=O)cnn1-c1ccc(C(F)(F)F)cc1 ZINC000484827899 997192104 /nfs/dbraw/zinc/19/21/04/997192104.db2.gz CQGJYTPTUCBOGV-UHFFFAOYSA-N -1 3 420.395 3.579 20 0 HHADHM COc1cc(C(=O)NCCCCc2nc(-c3cccnc3)cs2)cc(OC)c1[O-] ZINC000484847860 997211929 /nfs/dbraw/zinc/21/19/29/997211929.db2.gz OELWYTXIKAFMTN-UHFFFAOYSA-N -1 3 413.499 3.681 20 0 HHADHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)c(Cl)c1)C1(O)CCC1 ZINC000476775037 997332294 /nfs/dbraw/zinc/33/22/94/997332294.db2.gz XBGZTGVDMRRHBS-UHFFFAOYSA-N -1 3 415.298 3.648 20 0 HHADHM CCC[C@@H](CCO)CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C ZINC000476784838 997340483 /nfs/dbraw/zinc/34/04/83/997340483.db2.gz HZFFXEUKEYZCQE-SFHVURJKSA-N -1 3 418.559 3.633 20 0 HHADHM COC(=O)CSCc1cccc([N-]S(=O)(=O)c2cc(C)c(OC)c(C)c2)c1 ZINC000485004813 997369187 /nfs/dbraw/zinc/36/91/87/997369187.db2.gz JRURRVSMEVADBI-UHFFFAOYSA-N -1 3 409.529 3.519 20 0 HHADHM O=C(CC[C@@H]1Cc2ccccc2NC1=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485111414 997492770 /nfs/dbraw/zinc/49/27/70/997492770.db2.gz VSRXNPGSHHPONV-OAHLLOKOSA-N -1 3 401.426 3.748 20 0 HHADHM COc1cccc(N2CC[C@H]([N-]S(=O)(=O)c3c(Cl)ccc(C)c3Cl)C2)c1 ZINC000476908129 997514399 /nfs/dbraw/zinc/51/43/99/997514399.db2.gz WMZNQJZHTYWBIW-ZDUSSCGKSA-N -1 3 415.342 3.868 20 0 HHADHM COc1cccc(N2CC[C@@H]([N-]S(=O)(=O)c3c(Cl)ccc(C)c3Cl)C2)c1 ZINC000476908127 997514599 /nfs/dbraw/zinc/51/45/99/997514599.db2.gz WMZNQJZHTYWBIW-CYBMUJFWSA-N -1 3 415.342 3.868 20 0 HHADHM COc1ccc(Br)c(S(=O)(=O)[N-]c2ccc(C)cc2CN(C)C)c1 ZINC000476911893 997519272 /nfs/dbraw/zinc/51/92/72/997519272.db2.gz XIEKITXGYOQWEF-UHFFFAOYSA-N -1 3 413.337 3.629 20 0 HHADHM CCCCN(C)c1ccc(C(F)(F)F)cc1C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000476980816 997601608 /nfs/dbraw/zinc/60/16/08/997601608.db2.gz HFPIBMFKYNZVLM-UHFFFAOYSA-N -1 3 408.424 3.636 20 0 HHADHM CCCOc1ccc(C(=O)N2CCc3nc[n-]c(=O)c3C2)c(OCc2ccccc2)c1 ZINC000476987734 997612758 /nfs/dbraw/zinc/61/27/58/997612758.db2.gz RDVYOPXUXXRHCY-UHFFFAOYSA-N -1 3 419.481 3.749 20 0 HHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cnc(Cc4ccccc4F)s3)nc21 ZINC000477103517 997757145 /nfs/dbraw/zinc/75/71/45/997757145.db2.gz WKCAENIRQFNYEN-UHFFFAOYSA-N -1 3 410.430 3.788 20 0 HHADHM O=S(=O)([N-]c1ccccc1-c1nnc[nH]1)c1cc(Cl)ccc1Br ZINC000485389889 997817747 /nfs/dbraw/zinc/81/77/47/997817747.db2.gz LFNQEEJBDUPPDH-UHFFFAOYSA-N -1 3 413.684 3.688 20 0 HHADHM Cc1cc(NC(=O)C(=O)NCc2ccc([O-])c(Br)c2)ccc1C1CC1 ZINC000477171511 997838789 /nfs/dbraw/zinc/83/87/89/997838789.db2.gz XIBMMYOEUYJAOK-UHFFFAOYSA-N -1 3 403.276 3.595 20 0 HHADHM O=c1c([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)cccn1CC(F)(F)F ZINC000485412151 997844896 /nfs/dbraw/zinc/84/48/96/997844896.db2.gz VZZKJKRVOWQSRD-UHFFFAOYSA-N -1 3 401.193 3.518 20 0 HHADHM CC(C)c1ccc(C(=O)Nc2sccc2C(=O)N2CCc3nc[n-]c(=O)c3C2)cc1 ZINC000477221250 997894635 /nfs/dbraw/zinc/89/46/35/997894635.db2.gz YEFTZCJBWDABFT-UHFFFAOYSA-N -1 3 422.510 3.818 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000485493491 997947517 /nfs/dbraw/zinc/94/75/17/997947517.db2.gz PNWKMRQEPIQYJQ-ROUUACIJSA-N -1 3 405.292 3.874 20 0 HHADHM CCc1cc([N-]S(=O)(=O)c2ccc(NS(=O)(=O)C(C)C)c(F)c2)ccc1C ZINC000477293890 997979128 /nfs/dbraw/zinc/97/91/28/997979128.db2.gz WGESZNHPWVSACW-UHFFFAOYSA-N -1 3 414.524 3.647 20 0 HHADHM CCC1(CC)CCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)CC1 ZINC000485524220 997981729 /nfs/dbraw/zinc/98/17/29/997981729.db2.gz DYURWOYHLMYKRB-UHFFFAOYSA-N -1 3 407.511 3.997 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)Nc2cc(C)cc(OC)c2C)cc1OC ZINC000485578355 998026984 /nfs/dbraw/zinc/02/69/84/998026984.db2.gz FMFANSOYCZXDAS-UHFFFAOYSA-N -1 3 407.492 3.726 20 0 HHADHM CC[C@@H](NC(=O)CCc1c(C)nc(C)[n-]c1=O)c1cc(F)cc(Br)c1 ZINC000485663044 998115414 /nfs/dbraw/zinc/11/54/14/998115414.db2.gz ACVBBYZNGHQDQN-MRXNPFEDSA-N -1 3 410.287 3.901 20 0 HHADHM CCCCc1nc(NC(=O)c2cc(=O)[nH]c3cc(F)ccc32)c(C(=O)OCC)[n-]1 ZINC000485669130 998125253 /nfs/dbraw/zinc/12/52/53/998125253.db2.gz KPAGTXLSRLPVCQ-UHFFFAOYSA-N -1 3 400.410 3.574 20 0 HHADHM CCCCc1nc(NC(=O)c2cc(-c3cnn(C)c3)ccc2F)c(C(=O)OCC)[n-]1 ZINC000485678060 998136857 /nfs/dbraw/zinc/13/68/57/998136857.db2.gz ZYDIVGKPVIVXJG-UHFFFAOYSA-N -1 3 413.453 3.721 20 0 HHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1nc2ccccc2cc1Br ZINC000485682818 998142498 /nfs/dbraw/zinc/14/24/98/998142498.db2.gz GPTQRTAYAJMKLT-UHFFFAOYSA-N -1 3 420.288 3.621 20 0 HHADHM CCCCc1nc(NC(=O)Cc2csc(-c3ccccn3)n2)c(C(=O)OCC)[n-]1 ZINC000485701651 998166034 /nfs/dbraw/zinc/16/60/34/998166034.db2.gz ONYDAVKMKGRJPF-UHFFFAOYSA-N -1 3 413.503 3.629 20 0 HHADHM Cc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3c[nH]c4cccc(F)c43)n2)cc1F ZINC000477489945 998210785 /nfs/dbraw/zinc/21/07/85/998210785.db2.gz PSAIMJDXDWSKGW-LLVKDONJSA-N -1 3 418.425 3.844 20 0 HHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H](C)c1c(F)cccc1Cl ZINC000477652208 998367430 /nfs/dbraw/zinc/36/74/30/998367430.db2.gz USVRTLQCXCNOBB-LBPRGKRZSA-N -1 3 400.841 3.765 20 0 HHADHM O=c1cc(C=Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)nc(-c2ccncc2)[n-]1 ZINC000485984554 998427208 /nfs/dbraw/zinc/42/72/08/998427208.db2.gz OAQHJWVXLALTOY-OWOJBTEDSA-N -1 3 411.252 3.890 20 0 HHADHM O=c1cc(C=Cc2cc(Br)c3c(c2)OCCO3)nc(-c2ccncc2)[n-]1 ZINC000486102786 998550072 /nfs/dbraw/zinc/55/00/72/998550072.db2.gz NVRQPHSZYMPZCW-OWOJBTEDSA-N -1 3 412.243 3.536 20 0 HHADHM Cc1nc(C)c(CCC(=O)Nc2cccc(-n3cc(C(F)(F)F)cn3)c2)c(=O)[n-]1 ZINC000477898918 998642128 /nfs/dbraw/zinc/64/21/28/998642128.db2.gz BBXLVOGXSHDCMW-UHFFFAOYSA-N -1 3 405.380 3.575 20 0 HHADHM CCc1c(C(=O)[N-]c2cc(F)cc(C(=O)OC)c2F)nnn1-c1cccc(Cl)c1 ZINC000478083797 998753489 /nfs/dbraw/zinc/75/34/89/998753489.db2.gz KGOGJKYBKCHGSN-UHFFFAOYSA-N -1 3 420.803 3.800 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CC(Cc2ccc(F)c(F)c2)C1 ZINC000486433176 998765598 /nfs/dbraw/zinc/76/55/98/998765598.db2.gz VENPEQRBBFYVFC-UHFFFAOYSA-N -1 3 411.246 3.817 20 0 HHADHM COc1ccc(CN(CCc2ccccn2)C(=O)c2cc(=O)c3ccccc3[n-]2)cc1 ZINC000478113092 998766579 /nfs/dbraw/zinc/76/65/79/998766579.db2.gz MYROFPAVVKZCAJ-UHFFFAOYSA-N -1 3 413.477 3.817 20 0 HHADHM CCOC(=O)c1cc([N-]C(=O)c2coc(C3CCCCC3)n2)cc(S(C)(=O)=O)c1 ZINC000486436612 998767240 /nfs/dbraw/zinc/76/72/40/998767240.db2.gz SMERZEKNVAJHIY-UHFFFAOYSA-N -1 3 420.487 3.555 20 0 HHADHM CN(C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)[C@H]1CCC(C)(C)C1 ZINC000478205541 998821769 /nfs/dbraw/zinc/82/17/69/998821769.db2.gz BXYCHPGKOXCVQA-LBPRGKRZSA-N -1 3 407.363 3.699 20 0 HHADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(F)cc(Br)c2F)ccc1F ZINC000486555076 998823695 /nfs/dbraw/zinc/82/36/95/998823695.db2.gz AIHBETDSCWPOPH-UHFFFAOYSA-N -1 3 423.210 3.626 20 0 HHADHM COc1cc(C(=O)NCc2ccc(Br)cc2Cl)cc(OC)c1[O-] ZINC000486556679 998824435 /nfs/dbraw/zinc/82/44/35/998824435.db2.gz QIBATWITYJDSMW-UHFFFAOYSA-N -1 3 400.656 3.755 20 0 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3.728 20 0 HHADHM C[C@@](O)(CSc1cccc(F)c1)C(=O)Nc1cc(Br)ccc1[O-] ZINC000552395183 1012408186 /nfs/dbraw/zinc/40/81/86/1012408186.db2.gz ZXVBSLIIUPUPSA-MRXNPFEDSA-N -1 3 400.269 3.776 20 0 HHADHM Cc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)nc(C)n1 ZINC000541610536 1012412610 /nfs/dbraw/zinc/41/26/10/1012412610.db2.gz NYFZBEMYMXKYQX-UHFFFAOYSA-N -1 3 410.499 3.763 20 0 HHADHM O=C1CCc2cc(Br)c(S(=O)(=O)[N-]c3ccccc3Cl)cc2N1 ZINC000523820731 1012502516 /nfs/dbraw/zinc/50/25/16/1012502516.db2.gz AKFYDZNXASHKLJ-UHFFFAOYSA-N -1 3 415.696 3.788 20 0 HHADHM C[C@H](NCc1nc2c3ccccc3oc2c(=O)[n-]1)c1nc(Cc2ccccc2)no1 ZINC000541689149 1012530931 /nfs/dbraw/zinc/53/09/31/1012530931.db2.gz GZNKUBNSYMYLTI-ZDUSSCGKSA-N -1 3 401.426 3.906 20 0 HHADHM O=C(CSc1nc(-c2ccccc2)no1)NCc1ccc([O-])c(Br)c1 ZINC000541722935 1012573205 /nfs/dbraw/zinc/57/32/05/1012573205.db2.gz ROZBXSCJYYVVQA-UHFFFAOYSA-N -1 3 420.288 3.613 20 0 HHADHM COC(=O)c1sc2[n-]c(CN[C@H](C)c3c(F)cccc3Cl)nc(=O)c2c1C ZINC000537174753 1012580674 /nfs/dbraw/zinc/58/06/74/1012580674.db2.gz AVHJUKCKLSNUMO-SECBINFHSA-N -1 3 409.870 3.723 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCc3cccc(F)c3[C@H]2C)c1 ZINC000541728724 1012580887 /nfs/dbraw/zinc/58/08/87/1012580887.db2.gz ZGKNXLFPBDUEKG-GFCCVEGCSA-N -1 3 409.417 3.840 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(-n3ncc4ccccc43)cc2)cc1OC ZINC000537196102 1012612236 /nfs/dbraw/zinc/61/22/36/1012612236.db2.gz SJPLBHAPXBDSNO-UHFFFAOYSA-N -1 3 409.467 3.844 20 0 HHADHM Cc1cnc([C@@H](C)CNC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)s1 ZINC000541772403 1012640254 /nfs/dbraw/zinc/64/02/54/1012640254.db2.gz ZHYNXAJKFDMSIP-VIFPVBQESA-N -1 3 406.305 3.589 20 0 HHADHM O=C(c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)N1CCC=C(c2ccco2)C1 ZINC000552688357 1012700117 /nfs/dbraw/zinc/70/01/17/1012700117.db2.gz DYIJYADTFOVVHX-UHFFFAOYSA-N -1 3 404.344 3.949 20 0 HHADHM CC(C)c1nnc([N-]C(=O)c2ncc(Br)cc2Br)s1 ZINC000541835183 1012722884 /nfs/dbraw/zinc/72/28/84/1012722884.db2.gz UJVNJVDAVRQGBP-UHFFFAOYSA-N -1 3 406.103 3.834 20 0 HHADHM CC(C)[C@H]([N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)c1ccc(Cl)cc1F ZINC000541915640 1012773486 /nfs/dbraw/zinc/77/34/86/1012773486.db2.gz USRKHCPDGHOAGV-KRWDZBQOSA-N -1 3 419.927 3.558 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H]3CC=CCC3)ccc2C)cc1 ZINC000524054575 1012810092 /nfs/dbraw/zinc/81/00/92/1012810092.db2.gz PIEAYXMYSMCOHK-KRWDZBQOSA-N -1 3 400.500 3.643 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000537372668 1012846882 /nfs/dbraw/zinc/84/68/82/1012846882.db2.gz HNKFZMYJONNABU-AWEZNQCLSA-N -1 3 424.726 3.886 20 0 HHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)Sc3nncn3C(C)(C)C)nc(=O)c2c1C ZINC000524088483 1012858449 /nfs/dbraw/zinc/85/84/49/1012858449.db2.gz BSYRLTUSDGECCW-SNVBAGLBSA-N -1 3 421.548 3.670 20 0 HHADHM Cc1ccc(CN(C)C(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)s1 ZINC000524126645 1012905529 /nfs/dbraw/zinc/90/55/29/1012905529.db2.gz DVVNFRPWDMBKOX-UHFFFAOYSA-N -1 3 421.371 3.690 20 0 HHADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(OCC(F)F)c2)cc1 ZINC000524160379 1012950753 /nfs/dbraw/zinc/95/07/53/1012950753.db2.gz WFIREIVTCUYOND-UHFFFAOYSA-N -1 3 415.458 3.855 20 0 HHADHM Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000537475115 1012981630 /nfs/dbraw/zinc/98/16/30/1012981630.db2.gz UMYLIMDSGARVAV-UHFFFAOYSA-N -1 3 414.256 3.920 20 0 HHADHM Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000537475115 1012981639 /nfs/dbraw/zinc/98/16/39/1012981639.db2.gz UMYLIMDSGARVAV-UHFFFAOYSA-N -1 3 414.256 3.920 20 0 HHADHM Fc1ccc(-n2cc(C[N-]c3nnc([C@@H]4Cc5ccccc5O4)o3)nn2)cc1Cl ZINC000542090039 1013013109 /nfs/dbraw/zinc/01/31/09/1013013109.db2.gz ASUWZTPCCYBPRY-KRWDZBQOSA-N -1 3 412.812 3.731 20 0 HHADHM COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]C(C)(C)CC(F)(F)F ZINC000614856842 1071780610 /nfs/dbraw/zinc/78/06/10/1071780610.db2.gz OECXTIRHEHKDKU-UHFFFAOYSA-N -1 3 407.332 3.501 20 0 HHADHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H]2c2ccccc2)c1 ZINC001211973746 1071826728 /nfs/dbraw/zinc/82/67/28/1071826728.db2.gz NGXLQHFAZCYCGD-ZWKOTPCHSA-N -1 3 405.491 3.865 20 0 HHADHM N[C@@H](CCc1cc(=O)oc2cc([O-])ccc12)c1nc(-c2ccc3cnccc3c2)no1 ZINC001212097953 1072075199 /nfs/dbraw/zinc/07/51/99/1072075199.db2.gz QUEFFYLDQGJMSC-IBGZPJMESA-N -1 3 414.421 3.729 20 0 HHADHM COc1cc(OC)c(S(=O)(=O)[N-]c2ccc(C)cc2Br)c(OC)c1 ZINC000488214920 1072129377 /nfs/dbraw/zinc/12/93/77/1072129377.db2.gz FUDJRHKCISEVHI-UHFFFAOYSA-N -1 3 416.293 3.584 20 0 HHADHM Cc1ccc(C)c([C@@H](C)N(C)C(=O)C[C@H](C)[N-]S(=O)(=O)c2cccnc2Cl)c1 ZINC000760345585 1072260847 /nfs/dbraw/zinc/26/08/47/1072260847.db2.gz UBMLDSNWOOZUJP-JKSUJKDBSA-N -1 3 423.966 3.628 20 0 HHADHM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)c1ccccn1 ZINC000760402239 1072327028 /nfs/dbraw/zinc/32/70/28/1072327028.db2.gz AJOCVXZFMRGYRJ-QGZVFWFLSA-N -1 3 424.309 3.860 20 0 HHADHM COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)OC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000913298689 1072360277 /nfs/dbraw/zinc/36/02/77/1072360277.db2.gz ASWXXABUGHYTJR-NSHDSACASA-N -1 3 403.822 3.824 20 0 HHADHM COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)OC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000913298689 1072360286 /nfs/dbraw/zinc/36/02/86/1072360286.db2.gz ASWXXABUGHYTJR-NSHDSACASA-N -1 3 403.822 3.824 20 0 HHADHM C[C@@H](OC(=O)c1cc(-c2ccco2)[n-]n1)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000913302329 1072364662 /nfs/dbraw/zinc/36/46/62/1072364662.db2.gz VWJAVKYRYDOIJX-LLVKDONJSA-N -1 3 405.813 3.666 20 0 HHADHM C[C@@H](OC(=O)c1cc(-c2ccco2)n[n-]1)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000913302329 1072364673 /nfs/dbraw/zinc/36/46/73/1072364673.db2.gz VWJAVKYRYDOIJX-LLVKDONJSA-N -1 3 405.813 3.666 20 0 HHADHM C[C@@H](OC(=O)c1cc(-c2ccco2)[n-]n1)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000913302223 1072364748 /nfs/dbraw/zinc/36/47/48/1072364748.db2.gz RLFMFHHBZUAUND-LSDHHAIUSA-N -1 3 407.470 3.971 20 0 HHADHM C[C@@H](OC(=O)c1cc(-c2ccco2)n[n-]1)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000913302223 1072364757 /nfs/dbraw/zinc/36/47/57/1072364757.db2.gz RLFMFHHBZUAUND-LSDHHAIUSA-N -1 3 407.470 3.971 20 0 HHADHM Cc1cc([C@H](C)NC(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)c(C)s1 ZINC000729838529 1072410453 /nfs/dbraw/zinc/41/04/53/1072410453.db2.gz NYJWKNBWLWWCHL-JTQLQIEISA-N -1 3 414.499 3.575 20 0 HHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC(c2nnc3n2CCC3)CC1 ZINC000586752473 1072417105 /nfs/dbraw/zinc/41/71/05/1072417105.db2.gz ZLZGBKMZZHNIHX-UHFFFAOYSA-N -1 3 402.498 3.541 20 0 HHADHM COc1cccc(N(CC(C)C)C(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)c1 ZINC001142552587 1072497117 /nfs/dbraw/zinc/49/71/17/1072497117.db2.gz QUXNNCJHMFWVEJ-UHFFFAOYSA-N -1 3 420.513 3.771 20 0 HHADHM Cc1cccc([C@@H]([N-]S(=O)(=O)c2cccnc2C(F)(F)F)c2ccccn2)c1 ZINC000571429543 1072617805 /nfs/dbraw/zinc/61/78/05/1072617805.db2.gz OXSWWFILPAYFRY-QGZVFWFLSA-N -1 3 407.417 3.872 20 0 HHADHM CCN1CCN(c2ccc([N-]S(=O)(=O)c3cc(C)cc4cccnc43)c(C)c2)CC1 ZINC000615145269 1072629005 /nfs/dbraw/zinc/62/90/05/1072629005.db2.gz ZGAGCHDMVMWMGR-UHFFFAOYSA-N -1 3 424.570 3.794 20 0 HHADHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@H](CC(F)(F)F)c1ccccc1 ZINC000571689448 1072698316 /nfs/dbraw/zinc/69/83/16/1072698316.db2.gz SVIFTNGUNISLTI-CYBMUJFWSA-N -1 3 405.394 3.655 20 0 HHADHM CC(C)(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2Cl)CCO1 ZINC000479392765 1072804642 /nfs/dbraw/zinc/80/46/42/1072804642.db2.gz PPHXZKLOSMVCAH-RISCZKNCSA-N -1 3 410.761 3.975 20 0 HHADHM COCc1nc(C(=O)[N-]c2ncc(Cl)cc2C(=O)Cc2cccc(F)c2)co1 ZINC000571822884 1072848452 /nfs/dbraw/zinc/84/84/52/1072848452.db2.gz SZTSOJHRRDCYQU-UHFFFAOYSA-N -1 3 403.797 3.686 20 0 HHADHM COc1cccc(N2CC[C@H](C[N-]S(=O)(=O)c3c(Cl)cccc3Cl)C2)c1 ZINC000588174475 1072882130 /nfs/dbraw/zinc/88/21/30/1072882130.db2.gz CBXMNFFEFUPZPT-CYBMUJFWSA-N -1 3 415.342 3.807 20 0 HHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)Sc3nnc(C(C)C)n3C)nc(=O)c2c1C ZINC000554864916 1072909648 /nfs/dbraw/zinc/90/96/48/1072909648.db2.gz FHLAXZNQAYZBTA-SNVBAGLBSA-N -1 3 421.548 3.575 20 0 HHADHM O=C(c1ccc(Cl)c([N-]S(=O)(=O)c2c[nH]c3ncccc23)c1)N1CCCCC1 ZINC000588833805 1073296447 /nfs/dbraw/zinc/29/64/47/1073296447.db2.gz HQWNLWBEKFIBGV-UHFFFAOYSA-N -1 3 418.906 3.643 20 0 HHADHM C[C@H](c1ccccc1F)N1CCC[C@H]([N-]S(=O)(=O)c2ccc(Cl)s2)C1=O ZINC000555404529 1073414782 /nfs/dbraw/zinc/41/47/82/1073414782.db2.gz HWSXXMOWKCGOOR-RISCZKNCSA-N -1 3 416.927 3.571 20 0 HHADHM O=S(=O)([N-]c1cc(-c2nnc3n2CCCCC3)ccc1F)c1cccc(F)c1 ZINC000590030089 1073485056 /nfs/dbraw/zinc/48/50/56/1073485056.db2.gz WDTHUASDLXJWSM-UHFFFAOYSA-N -1 3 404.442 3.751 20 0 HHADHM C[C@H]1CN(C(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)c2ccccc21 ZINC000555585449 1073652516 /nfs/dbraw/zinc/65/25/16/1073652516.db2.gz GEYRLKCDIIDITR-LBPRGKRZSA-N -1 3 413.326 3.812 20 0 HHADHM O=C(/C=C\c1cccc(OC2CCCC2)c1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000760771354 1073685998 /nfs/dbraw/zinc/68/59/98/1073685998.db2.gz ITSDIGJCEPAESC-SEYXRHQNSA-N -1 3 420.509 3.711 20 0 HHADHM O=S(=O)([N-]C[C@@H](CO)c1ccc(F)cc1)c1cc(Cl)ccc1C(F)(F)F ZINC001212163370 1073766955 /nfs/dbraw/zinc/76/69/55/1073766955.db2.gz VKMBXBIFFDOKPM-NSHDSACASA-N -1 3 411.804 3.552 20 0 HHADHM Cc1cc(Br)ccc1NC(=O)CCNC(=O)c1cc([O-])ccc1Cl ZINC000555732866 1073780578 /nfs/dbraw/zinc/78/05/78/1073780578.db2.gz NKHSCQQCNCXHBD-UHFFFAOYSA-N -1 3 411.683 3.875 20 0 HHADHM COC(=O)Cc1c2ccccc2[nH]c1C(=O)Nc1cc(Br)ccc1[O-] ZINC000590440004 1073835133 /nfs/dbraw/zinc/83/51/33/1073835133.db2.gz AUEVPZVXUFVUHY-UHFFFAOYSA-N -1 3 403.232 3.604 20 0 HHADHM O=C(c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)N1CC[C@H](c2ccco2)C1 ZINC000600412034 1073860561 /nfs/dbraw/zinc/86/05/61/1073860561.db2.gz LHYNDXAYVJEZQF-INIZCTEOSA-N -1 3 414.458 3.849 20 0 HHADHM COCC1(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccc(OC)cc3)c2)CCC1 ZINC000555847649 1073897838 /nfs/dbraw/zinc/89/78/38/1073897838.db2.gz WVNPWTWDWYLIOZ-UHFFFAOYSA-N -1 3 418.515 3.560 20 0 HHADHM CC[C@@H]1CN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)ccc2C)C[C@@H](C)O1 ZINC000600454297 1073903696 /nfs/dbraw/zinc/90/36/96/1073903696.db2.gz GHHAMCXFDGTZNI-IEBWSBKVSA-N -1 3 416.543 3.744 20 0 HHADHM CCC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000590652665 1073965273 /nfs/dbraw/zinc/96/52/73/1073965273.db2.gz USLVFMXWVZSYLD-BEFAXECRSA-N -1 3 410.518 3.825 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC[C@H]3C3CC3)ccc2C)cc1 ZINC000590719205 1073991398 /nfs/dbraw/zinc/99/13/98/1073991398.db2.gz FHWPGRNTOGZQHJ-FQEVSTJZSA-N -1 3 414.527 3.819 20 0 HHADHM O=S(=O)([N-]Cc1ccccc1N1CCCC1)c1ccc(F)cc1C(F)(F)F ZINC000590792709 1074005668 /nfs/dbraw/zinc/00/56/68/1074005668.db2.gz QFPXIXCYGNHLBM-UHFFFAOYSA-N -1 3 402.413 3.923 20 0 HHADHM O=C([N-]CC[C@@H]1CN(C(=O)c2cc3c([nH]2)CCCC3)c2ccccc21)C(F)(F)F ZINC001649005368 1074151667 /nfs/dbraw/zinc/15/16/67/1074151667.db2.gz HPOIOJYZHPVLEM-CQSZACIVSA-N -1 3 405.420 3.706 20 0 HHADHM CSCC[C@@H]([N-]S(=O)(=O)c1ccccc1)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000904336177 1074199888 /nfs/dbraw/zinc/19/98/88/1074199888.db2.gz SQSXVFGPUNXILU-QGZVFWFLSA-N -1 3 421.519 3.957 20 0 HHADHM O=C(CC1CCSCC1)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001649006370 1074202137 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/nfs/dbraw/zinc/33/91/89/963339189.db2.gz PQVJCDLSNKFDRU-UHFFFAOYSA-N -1 3 411.936 3.817 20 0 HHADHM COC[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1F)c1ccc(F)c(F)c1 ZINC000542466654 1013414435 /nfs/dbraw/zinc/41/44/35/1013414435.db2.gz OXJLXWJKVYQEDM-CYBMUJFWSA-N -1 3 424.238 3.532 20 0 HHADHM O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)NCCC1=CCCCC1 ZINC000021002837 963411984 /nfs/dbraw/zinc/41/19/84/963411984.db2.gz HFWNIAYKNKRNAF-UHFFFAOYSA-N -1 3 405.347 3.669 20 0 HHADHM COc1ccc(NC(=O)c2cc(C)no2)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000021877153 963553966 /nfs/dbraw/zinc/55/39/66/963553966.db2.gz HCXUGFLHDUTKKV-UHFFFAOYSA-N -1 3 421.862 3.698 20 0 HHADHM O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)OCc1ccccc1F ZINC000021971340 963570936 /nfs/dbraw/zinc/57/09/36/963570936.db2.gz CFGXAEZDCUNCIK-UHFFFAOYSA-N -1 3 406.262 3.544 20 0 HHADHM C[C@H](Cc1nc2ccccc2s1)[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000553536171 1013433325 /nfs/dbraw/zinc/43/33/25/1013433325.db2.gz HYAUNLJBTMGWIG-SNVBAGLBSA-N -1 3 401.435 3.620 20 0 HHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)Nc3nncs3)ccc2C)c(C)c1 ZINC000022705070 963701670 /nfs/dbraw/zinc/70/16/70/963701670.db2.gz GDXQIRWZAPLIQE-UHFFFAOYSA-N -1 3 416.528 3.825 20 0 HHADHM CC(C)[C@H]1C[C@@H]([N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)CCO1 ZINC000537868046 1013442005 /nfs/dbraw/zinc/44/20/05/1013442005.db2.gz MLQKMZPCUNNEIL-LSDHHAIUSA-N -1 3 400.953 3.945 20 0 HHADHM CC(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)CCO1 ZINC000537868045 1013442083 /nfs/dbraw/zinc/44/20/83/1013442083.db2.gz MLQKMZPCUNNEIL-HUUCEWRRSA-N -1 3 400.953 3.945 20 0 HHADHM O=S(=O)([N-][C@@H](c1ccccc1)[C@H]1CCOC1)c1cc(F)ccc1Br ZINC000537869060 1013442838 /nfs/dbraw/zinc/44/28/38/1013442838.db2.gz REIPFTAKFNZQAX-GUYCJALGSA-N -1 3 414.296 3.644 20 0 HHADHM CC(C)n1ncc2c1nc(-c1ccccc1)cc2C(=O)N[N-]C(=O)c1ccccc1F ZINC000023116845 963770684 /nfs/dbraw/zinc/77/06/84/963770684.db2.gz KZPXFSVAUAWVTK-UHFFFAOYSA-N -1 3 417.444 3.893 20 0 HHADHM O=C(Nc1ccc(F)cc1F)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000023142725 963773766 /nfs/dbraw/zinc/77/37/66/963773766.db2.gz YIXQFCKZIXCJTH-UHFFFAOYSA-N -1 3 421.252 3.965 20 0 HHADHM CC[C@H]1CCc2nc(NC(=O)c3c[n-]c4cc(F)c(OC)cc4c3=O)sc2C1 ZINC000553548321 1013445164 /nfs/dbraw/zinc/44/51/64/1013445164.db2.gz LLIKUYMMULCWAC-JTQLQIEISA-N -1 3 401.463 3.900 20 0 HHADHM CCOc1ccc(C(=O)CCC(=O)N[N-]C(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000023691581 963877170 /nfs/dbraw/zinc/87/71/70/963877170.db2.gz LHXZXFSVJYWDPN-UHFFFAOYSA-N -1 3 409.269 3.816 20 0 HHADHM CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000553561227 1013456809 /nfs/dbraw/zinc/45/68/09/1013456809.db2.gz YENYTFOXOBJMFJ-HRCADAONSA-N -1 3 414.449 3.730 20 0 HHADHM O=S(=O)([N-]CCn1ccc2cc(Cl)ccc21)c1cccnc1C(F)(F)F ZINC000553561257 1013456831 /nfs/dbraw/zinc/45/68/31/1013456831.db2.gz ZKNXGCRXJKYCKX-UHFFFAOYSA-N -1 3 403.813 3.687 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3cccc(C)n3)ccc2C)cc1 ZINC000024451160 964002368 /nfs/dbraw/zinc/00/23/68/964002368.db2.gz SDKPGFPBBKCUNE-UHFFFAOYSA-N -1 3 411.483 3.760 20 0 HHADHM Cc1cc(C)cc(OCC(=O)N[N-]C(=O)c2cnn(-c3ccc(F)cc3)c2C(C)C)c1 ZINC000024556587 964018751 /nfs/dbraw/zinc/01/87/51/964018751.db2.gz ZPYJXKREJAARJW-UHFFFAOYSA-N -1 3 424.476 3.592 20 0 HHADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000024622889 964033521 /nfs/dbraw/zinc/03/35/21/964033521.db2.gz KASNADLDUMPCEQ-UHFFFAOYSA-N -1 3 422.282 3.970 20 0 HHADHM CC(C)c1c(C(=O)[N-]NC(=O)c2c[nH]c3ccccc23)cnn1-c1ccc(F)cc1 ZINC000024653866 964041002 /nfs/dbraw/zinc/04/10/02/964041002.db2.gz FEBPXWKUOPBCQQ-UHFFFAOYSA-N -1 3 405.433 3.691 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2c3ccc(F)cc3O[C@@H]2C)s1 ZINC000553571697 1013468801 /nfs/dbraw/zinc/46/88/01/1013468801.db2.gz NLCVTAWCGIZHPK-OQPBUACISA-N -1 3 406.298 3.759 20 0 HHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)Cc1csc(-c2cccc(F)c2)n1 ZINC000024891100 964102478 /nfs/dbraw/zinc/10/24/78/964102478.db2.gz GHZDQGGBBYRTBK-UHFFFAOYSA-N -1 3 405.476 3.502 20 0 HHADHM Cc1cccc(-c2nc(CC(=O)Nc3ccccc3[N-]S(C)(=O)=O)cs2)c1 ZINC000024891430 964102546 /nfs/dbraw/zinc/10/25/46/964102546.db2.gz LTWUUVBVPHSFLT-UHFFFAOYSA-N -1 3 401.513 3.671 20 0 HHADHM CC[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1ccc(Cl)cc1 ZINC000024910181 964108635 /nfs/dbraw/zinc/10/86/35/964108635.db2.gz AMXPXADAFNSCFO-QGZVFWFLSA-N -1 3 410.898 3.801 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cn3ccc4cc(OC)ccc43)c2)n1 ZINC000049303264 964147902 /nfs/dbraw/zinc/14/79/02/964147902.db2.gz HFZMSNWPTZWLOJ-UHFFFAOYSA-N -1 3 402.454 3.601 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(OCC(F)(F)F)nc3)c2)n1 ZINC000049304608 964148030 /nfs/dbraw/zinc/14/80/30/964148030.db2.gz OKZYSIOMHJXFHI-UHFFFAOYSA-N -1 3 418.375 3.588 20 0 HHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCCCC[C@H]2c2ccncc2)ccc1F ZINC000049764022 964206534 /nfs/dbraw/zinc/20/65/34/964206534.db2.gz DYNVPZZJRJTVRB-IBGZPJMESA-N -1 3 419.522 3.665 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@H](C)CCc2ccccc2)cc1OC ZINC000050040104 964246948 /nfs/dbraw/zinc/24/69/48/964246948.db2.gz QWEFSYMODSNTLR-OAHLLOKOSA-N -1 3 405.520 3.600 20 0 HHADHM C[C@@H]1CCN(C(=O)c2c[n-]c3ccc(I)cc3c2=O)C[C@@H](C)C1 ZINC000537920763 1013506033 /nfs/dbraw/zinc/50/60/33/1013506033.db2.gz JYHQNUFBVKVIGB-NEPJUHHUSA-N -1 3 424.282 3.641 20 0 HHADHM CCC(C)(C)NC(=O)CSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1 ZINC000026429932 964556314 /nfs/dbraw/zinc/55/63/14/964556314.db2.gz UOACHOITAOOIDY-UHFFFAOYSA-N -1 3 405.911 3.571 20 0 HHADHM C[C@@H]1Sc2ccc(C(=O)N[N-]C(=O)c3ccc(Cl)cc3Cl)cc2NC1=O ZINC000026623963 964626216 /nfs/dbraw/zinc/62/62/16/964626216.db2.gz CBUHDCODFVZPHM-QMMMGPOBSA-N -1 3 410.282 3.501 20 0 HHADHM CC(=O)Nc1cc(F)ccc1C(=O)O[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000052082727 964805712 /nfs/dbraw/zinc/80/57/12/964805712.db2.gz IDABRAKABKYKBJ-VIFPVBQESA-N -1 3 403.435 3.617 20 0 HHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)NC[C@H]3CCCO3)ccc2C)c(C)c1 ZINC000027396496 964876946 /nfs/dbraw/zinc/87/69/46/964876946.db2.gz PMYYCRPBZXQYRA-LJQANCHMSA-N -1 3 416.543 3.630 20 0 HHADHM NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c1 ZINC000027597993 964928900 /nfs/dbraw/zinc/92/89/00/964928900.db2.gz IDXZTGYCVYRHFR-UHFFFAOYSA-N -1 3 413.204 3.912 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cnc4ccccc4n3)cc2)cc1 ZINC000052929997 965024703 /nfs/dbraw/zinc/02/47/03/965024703.db2.gz ZRLOKXVDRIMXFR-UHFFFAOYSA-N -1 3 418.478 3.991 20 0 HHADHM O=C(c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)N1CCC[C@@H]1c1ccsc1 ZINC000053271328 965112948 /nfs/dbraw/zinc/11/29/48/965112948.db2.gz RQHQSHVHHNZBTA-GOSISDBHSA-N -1 3 419.503 3.993 20 0 HHADHM O=C(c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)N1CCC[C@H]1c1ccsc1 ZINC000053271334 965113065 /nfs/dbraw/zinc/11/30/65/965113065.db2.gz RQHQSHVHHNZBTA-SFHVURJKSA-N -1 3 419.503 3.993 20 0 HHADHM COc1ccccc1Oc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)cc1 ZINC000028781657 965181087 /nfs/dbraw/zinc/18/10/87/965181087.db2.gz IULBDKFNEZDNAG-UHFFFAOYSA-N -1 3 410.451 3.783 20 0 HHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(I)c2)cc1 ZINC000028940648 965222898 /nfs/dbraw/zinc/22/28/98/965222898.db2.gz OVWVJRWHHHTKPS-UHFFFAOYSA-N -1 3 417.268 3.799 20 0 HHADHM Cc1ccc(CNC(=O)c2cc(S(=O)(=O)[N-]C3CC3)c(Cl)cc2Cl)s1 ZINC000053776259 965269079 /nfs/dbraw/zinc/26/90/79/965269079.db2.gz JSIJPFHOYONZBS-UHFFFAOYSA-N -1 3 419.355 3.734 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(CCCl)cc2)cc1 ZINC000057120011 965291233 /nfs/dbraw/zinc/29/12/33/965291233.db2.gz PACQWNGGTJBYAK-UHFFFAOYSA-N -1 3 419.890 3.817 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3nc(C)nc4c3cnn4C)cc2)cc1 ZINC000054042838 965368470 /nfs/dbraw/zinc/36/84/70/965368470.db2.gz BVKJHXYYKIYNIZ-UHFFFAOYSA-N -1 3 409.471 3.573 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)CC3CC3)c2)cc1 ZINC000057365435 965416774 /nfs/dbraw/zinc/41/67/74/965416774.db2.gz NEVPVHOXBABECN-UHFFFAOYSA-N -1 3 402.516 3.677 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@@H](Oc4ccccc4OC)C3)nc2)n1 ZINC000553722462 1013571549 /nfs/dbraw/zinc/57/15/49/1013571549.db2.gz BQLACGUCQCCEFH-GOSISDBHSA-N -1 3 406.486 3.863 20 0 HHADHM Cc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)s1 ZINC000054260863 965447002 /nfs/dbraw/zinc/44/70/02/965447002.db2.gz YJZGBORCPORSGC-GFCCVEGCSA-N -1 3 407.492 3.816 20 0 HHADHM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(N4CCCC4)cc3C)cc2C[C@@H]1C ZINC000054306502 965467875 /nfs/dbraw/zinc/46/78/75/965467875.db2.gz UFRGHYXYUCGMEZ-INIZCTEOSA-N -1 3 413.543 3.694 20 0 HHADHM Cc1c([O-])ccc2c(CNc3ccc(NC(=O)NC[C@@H]4CCCO4)cc3)cc(=O)oc12 ZINC000029718257 965472838 /nfs/dbraw/zinc/47/28/38/965472838.db2.gz ZMVYZBFQPCUQQY-SFHVURJKSA-N -1 3 423.469 3.720 20 0 HHADHM C[C@@H](NC(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)c1ccc(F)cc1 ZINC000057506218 965480130 /nfs/dbraw/zinc/48/01/30/965480130.db2.gz RXPZGTPUZIOGOW-CYBMUJFWSA-N -1 3 423.473 3.630 20 0 HHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2nc(C(C)(C)C)cs2)ccc1F ZINC000029761047 965488687 /nfs/dbraw/zinc/48/86/87/965488687.db2.gz WKPWRSOZAJNELO-UHFFFAOYSA-N -1 3 413.540 3.909 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]C2CCN(Cc3cccc(C(F)(F)F)c3)CC2)o1 ZINC000538006522 1013579278 /nfs/dbraw/zinc/57/92/78/1013579278.db2.gz ULJIRLIZEKOZRA-UHFFFAOYSA-N -1 3 402.438 3.550 20 0 HHADHM COCc1nc2sc(C(=O)[N-]c3n[nH]c(-c4ccc(C)cc4)n3)c(C)c2c(OC)n1 ZINC000057819440 965555108 /nfs/dbraw/zinc/55/51/08/965555108.db2.gz KYPLXOHTGRXFPC-UHFFFAOYSA-N -1 3 424.486 3.501 20 0 HHADHM Cc1ccc([C@@H](C)NC(=O)N[N-]C(=O)c2ccc(F)cc2Br)s1 ZINC000054729032 965623729 /nfs/dbraw/zinc/62/37/29/965623729.db2.gz VLISKCADSXVJHQ-SECBINFHSA-N -1 3 400.273 3.663 20 0 HHADHM C[C@@H]1c2cccn2CCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000030266785 965644493 /nfs/dbraw/zinc/64/44/93/965644493.db2.gz DWQUEXJDNFQMHC-OAHLLOKOSA-N -1 3 413.474 3.645 20 0 HHADHM Cc1nc(C2([N-]S(=O)(=O)c3ccc(OC(F)F)c(Cl)c3)CCCCC2)no1 ZINC000030334581 965668065 /nfs/dbraw/zinc/66/80/65/965668065.db2.gz PTLCJFQOLSKZII-UHFFFAOYSA-N -1 3 421.853 3.771 20 0 HHADHM O=C(OCc1csc(C2CCCC2)n1)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000058309796 965684151 /nfs/dbraw/zinc/68/41/51/965684151.db2.gz IPJAASLIOIIZTK-UHFFFAOYSA-N -1 3 424.519 3.738 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cccc(NC(=O)NC4CC4)c3)c2)n1 ZINC000058381150 965712309 /nfs/dbraw/zinc/71/23/09/965712309.db2.gz YVSXEUGVTRADHN-UHFFFAOYSA-N -1 3 417.469 3.536 20 0 HHADHM O=C(Nc1ccccc1)NC1CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)CC1 ZINC000055031088 965735067 /nfs/dbraw/zinc/73/50/67/965735067.db2.gz RCYGJMANLCXFCX-UHFFFAOYSA-N -1 3 417.469 3.868 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccc(C)nc3)ccc2C)cc1 ZINC000030712969 965774862 /nfs/dbraw/zinc/77/48/62/965774862.db2.gz ZTCLENWXHCOCDY-UHFFFAOYSA-N -1 3 411.483 3.760 20 0 HHADHM O=C(OCc1ccccc1Br)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000058721941 965860523 /nfs/dbraw/zinc/86/05/23/965860523.db2.gz RBENZLHXWFYCOU-INIZCTEOSA-N -1 3 404.260 3.503 20 0 HHADHM Cc1cccc(C(C)C)c1NC(=O)COC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000058721842 965860550 /nfs/dbraw/zinc/86/05/50/965860550.db2.gz GIMNPENUXZGIRH-LJQANCHMSA-N -1 3 424.497 3.611 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)OCC(=O)c1ccc(F)cc1 ZINC000058786397 965899095 /nfs/dbraw/zinc/89/90/95/965899095.db2.gz MYFCFEBEJLIQJI-OAQYLSRUSA-N -1 3 421.424 3.819 20 0 HHADHM O=C(NNc1ccc(F)cc1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000055544289 965907807 /nfs/dbraw/zinc/90/78/07/965907807.db2.gz DFNMHRHDZBBPOZ-UHFFFAOYSA-N -1 3 403.410 3.523 20 0 HHADHM O=S(=O)([N-][C@@H](CO)c1cccc(Cl)c1F)c1ccc(F)cc1C(F)(F)F ZINC000542691364 1013610547 /nfs/dbraw/zinc/61/05/47/1013610547.db2.gz REIKFBREMQVZHS-LBPRGKRZSA-N -1 3 415.767 3.649 20 0 HHADHM COc1ccc(OC)c(C(=O)[N-]n2cnc3sc(C)c(-c4ccccc4)c3c2=O)c1 ZINC000058991033 965982571 /nfs/dbraw/zinc/98/25/71/965982571.db2.gz GMFOLTFDVIFEQE-UHFFFAOYSA-N -1 3 421.478 3.835 20 0 HHADHM O=C(NCCNC(=O)c1ccccc1OCc1ccc(Cl)cc1)c1ccc([O-])cc1 ZINC000059024337 965996646 /nfs/dbraw/zinc/99/66/46/965996646.db2.gz MRPGCJXWUNDCPV-UHFFFAOYSA-N -1 3 424.884 3.784 20 0 HHADHM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)cc1C ZINC000055668388 966009078 /nfs/dbraw/zinc/00/90/78/966009078.db2.gz OJVCCPCXTNLWRP-UHFFFAOYSA-N -1 3 410.561 3.756 20 0 HHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(Cl)c2F)ccc1Br ZINC000059851313 966037018 /nfs/dbraw/zinc/03/70/18/966037018.db2.gz RZEBJTICYMRQOP-UHFFFAOYSA-N -1 3 422.659 3.829 20 0 HHADHM CCN(CC)[C@@H](C[N-]S(=O)(=O)c1cc(Br)ccc1F)c1ccco1 ZINC000060321567 966090067 /nfs/dbraw/zinc/09/00/67/966090067.db2.gz YPTYDVVJBKUDIF-AWEZNQCLSA-N -1 3 419.316 3.543 20 0 HHADHM CN(C)C(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c1 ZINC000031776395 966117784 /nfs/dbraw/zinc/11/77/84/966117784.db2.gz XUNHSTZMUGQMAO-UHFFFAOYSA-N -1 3 406.813 3.861 20 0 HHADHM Cc1nnnn1-c1ccc(F)c([N-]S(=O)(=O)c2ccccc2-c2ccccc2)c1 ZINC000060376697 966121122 /nfs/dbraw/zinc/12/11/22/966121122.db2.gz UEOWDUZPSHHOPE-UHFFFAOYSA-N -1 3 409.446 3.578 20 0 HHADHM O=C(NC[C@@H]1CC1(Cl)Cl)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000031939451 966156729 /nfs/dbraw/zinc/15/67/29/966156729.db2.gz GMLHMTZVEOWYKU-LBPRGKRZSA-N -1 3 417.289 3.550 20 0 HHADHM Cc1ccc(C(=O)N[N-]C(=O)c2ccccc2F)cc1NC(=O)c1ccccc1F ZINC000032034178 966180114 /nfs/dbraw/zinc/18/01/14/966180114.db2.gz NGCRPBFXCQRBQI-UHFFFAOYSA-N -1 3 409.392 3.600 20 0 HHADHM O=C1[N-]C(=O)C(=CNc2cc(Br)ccc2Br)c2ccccc21 ZINC000032079839 966190250 /nfs/dbraw/zinc/19/02/50/966190250.db2.gz JKGDDSFUKRSUFR-XYOKQWHBSA-N -1 3 422.076 3.935 20 0 HHADHM CCN(CC)C(=O)Nc1ccc([C@H](C)[N-]S(=O)(=O)c2c(F)cccc2F)cc1 ZINC000056069707 966200997 /nfs/dbraw/zinc/20/09/97/966200997.db2.gz NFKFNZQMBBHCCG-ZDUSSCGKSA-N -1 3 411.474 3.878 20 0 HHADHM O=S(=O)([N-]Cc1ccc(N2CCCCC2)nc1)c1cccc(Cl)c1Cl ZINC000056071211 966202286 /nfs/dbraw/zinc/20/22/86/966202286.db2.gz DTAPEVSPVPZPQM-UHFFFAOYSA-N -1 3 400.331 3.857 20 0 HHADHM Cc1cc(C)[n-]c(=NNC(=O)NCC2(c3cccc(Br)c3)CCC2)n1 ZINC000060632311 966237987 /nfs/dbraw/zinc/23/79/87/966237987.db2.gz WCPYTDYVDMEBLE-UHFFFAOYSA-N -1 3 404.312 3.604 20 0 HHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)c(Cl)c2)cc1C ZINC000032589530 966288599 /nfs/dbraw/zinc/28/85/99/966288599.db2.gz VQSHDBYSZRRENS-UHFFFAOYSA-N -1 3 408.907 3.975 20 0 HHADHM O=S(=O)([N-]c1cc(Cl)ccc1F)c1cc2c(cc1Br)OCCO2 ZINC000060838094 966304491 /nfs/dbraw/zinc/30/44/91/966304491.db2.gz LAZKBIBPFKBABC-UHFFFAOYSA-N -1 3 422.659 3.814 20 0 HHADHM O=S(=O)([N-]C[C@@H]1CCOc2ccccc21)c1c(F)cccc1OC(F)(F)F ZINC000553831360 1013644330 /nfs/dbraw/zinc/64/43/30/1013644330.db2.gz XDLRFYYUUNUPFI-NSHDSACASA-N -1 3 405.369 3.569 20 0 HHADHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCCCOc1cccc2ccccc21 ZINC000061046623 966359764 /nfs/dbraw/zinc/35/97/64/966359764.db2.gz GHYLPLSLTDOISN-UHFFFAOYSA-N -1 3 404.466 3.962 20 0 HHADHM C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N[N-]C(=O)c1ccc2ccccc2n1 ZINC000033224725 966397464 /nfs/dbraw/zinc/39/74/64/966397464.db2.gz MRLKISQRWIVXHO-LLVKDONJSA-N -1 3 404.253 3.770 20 0 HHADHM C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N[N-]C(=O)c1ccc2ccccc2n1 ZINC000033224726 966397595 /nfs/dbraw/zinc/39/75/95/966397595.db2.gz MRLKISQRWIVXHO-NSHDSACASA-N -1 3 404.253 3.770 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCO[C@H](CCc2ccccc2)C1 ZINC000542742398 1013654741 /nfs/dbraw/zinc/65/47/41/1013654741.db2.gz AKNUAQGEHCOQFF-QGZVFWFLSA-N -1 3 419.319 3.698 20 0 HHADHM O=C(COC(=O)CCCCc1ccc(Br)cc1)[N-]C(=O)c1cccs1 ZINC000061506083 966484358 /nfs/dbraw/zinc/48/43/58/966484358.db2.gz VZFIZGPVHKZYIQ-UHFFFAOYSA-N -1 3 424.316 3.723 20 0 HHADHM Cc1cc(C)c(C(=O)CCCC(=O)OCC(=O)[N-]C(=O)c2cccs2)c(C)c1 ZINC000061768668 966546014 /nfs/dbraw/zinc/54/60/14/966546014.db2.gz RYJJRJHBPMTYLA-UHFFFAOYSA-N -1 3 401.484 3.526 20 0 HHADHM Cc1nc(C2([N-]S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CCCC2)no1 ZINC000041628992 966606555 /nfs/dbraw/zinc/60/65/55/966606555.db2.gz TUFVIEZPGTVHOI-UHFFFAOYSA-N -1 3 409.817 3.798 20 0 HHADHM CCOc1ccc(NC(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000041779739 966631833 /nfs/dbraw/zinc/63/18/33/966631833.db2.gz NEJWCCDKOFLAGD-UHFFFAOYSA-N -1 3 417.314 3.699 20 0 HHADHM C[C@@H]1CN(Cc2csc([N-]C(=O)c3cc(-c4cccc(F)c4)no3)n2)C[C@H](C)O1 ZINC000041793944 966637257 /nfs/dbraw/zinc/63/72/57/966637257.db2.gz DGVWDXWGCKUBAR-BETUJISGSA-N -1 3 416.478 3.799 20 0 HHADHM COc1ccc(Br)c(C(=O)[N-]NC(=S)Nc2ccc(C)c(C)c2)c1 ZINC000041959418 966674746 /nfs/dbraw/zinc/67/47/46/966674746.db2.gz UMYZCWVVIULEGZ-UHFFFAOYSA-N -1 3 408.321 3.706 20 0 HHADHM CCn1cc(C(=O)Nc2nc3c(cccc3C(=O)OC)[n-]2)c(=O)c2cc(Cl)ccc21 ZINC000542762884 1013668190 /nfs/dbraw/zinc/66/81/90/1013668190.db2.gz KIKWHJLFEODXGR-UHFFFAOYSA-N -1 3 424.844 3.590 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)COc3ccc(CCC(C)=O)cc3)c2)n1 ZINC000062880593 966732913 /nfs/dbraw/zinc/73/29/13/966732913.db2.gz BZUBZPFRQFXABF-UHFFFAOYSA-N -1 3 419.481 3.538 20 0 HHADHM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(OCCOCC)cc2)c1C ZINC000063443325 966859297 /nfs/dbraw/zinc/85/92/97/966859297.db2.gz SPWLFNNCVRRHGL-UHFFFAOYSA-N -1 3 420.531 3.950 20 0 HHADHM O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)Nc1ccc2ncccc2c1 ZINC000063645859 966916319 /nfs/dbraw/zinc/91/63/19/966916319.db2.gz SSNZNHRRHGQOPG-UHFFFAOYSA-N -1 3 424.309 3.849 20 0 HHADHM O=C(COC(=O)CSc1cc(Cl)ccc1Cl)[N-]C(=O)c1cccs1 ZINC000043275211 966942097 /nfs/dbraw/zinc/94/20/97/966942097.db2.gz HJOLPMFQVJYMMP-UHFFFAOYSA-N -1 3 404.296 3.647 20 0 HHADHM O=S(=O)([N-]Cc1cccc(Cn2cnc3ccccc32)c1)c1ccc(F)cc1F ZINC000063764285 966950832 /nfs/dbraw/zinc/95/08/32/966950832.db2.gz OLNREKKJAOCQOE-UHFFFAOYSA-N -1 3 413.449 3.841 20 0 HHADHM Cc1ccc2c(c1)[C@H](NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)CO2 ZINC000542810903 1013689421 /nfs/dbraw/zinc/68/94/21/1013689421.db2.gz OYAAYLAEFITUOR-FCHUYYIVSA-N -1 3 416.477 3.812 20 0 HHADHM COc1ccc(OC)c(CN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C2CC2)c1 ZINC000043754463 967026475 /nfs/dbraw/zinc/02/64/75/967026475.db2.gz CRFCBKPXRNFOPO-UHFFFAOYSA-N -1 3 405.454 3.851 20 0 HHADHM O=C(NC1CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)CC1)c1ccc(F)cc1 ZINC000043754274 967026528 /nfs/dbraw/zinc/02/65/28/967026528.db2.gz QGTCUJZSBCWYHO-UHFFFAOYSA-N -1 3 420.444 3.615 20 0 HHADHM CCN(CC)Cc1ccc(C(=O)[N-]NC(=O)c2cc3ccccc3c3cccnc23)o1 ZINC000064048923 967034634 /nfs/dbraw/zinc/03/46/34/967034634.db2.gz RFTCSRZJCDLRMP-UHFFFAOYSA-N -1 3 416.481 3.898 20 0 HHADHM CCOC(=O)c1cc(NC(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)[n-]n1 ZINC000542833983 1013697692 /nfs/dbraw/zinc/69/76/92/1013697692.db2.gz QYISZXRZCKYCDQ-UHFFFAOYSA-N -1 3 410.377 3.981 20 0 HHADHM CCOC(=O)c1cc(NC(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)n[n-]1 ZINC000542833983 1013697696 /nfs/dbraw/zinc/69/76/96/1013697696.db2.gz QYISZXRZCKYCDQ-UHFFFAOYSA-N -1 3 410.377 3.981 20 0 HHADHM CCCS(=O)(=O)Nc1cccc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1C ZINC000064381339 967162768 /nfs/dbraw/zinc/16/27/68/967162768.db2.gz NHMMCRFZPFQISM-UHFFFAOYSA-N -1 3 410.561 3.873 20 0 HHADHM COC(=O)c1sc2[n-]c(CN[C@H](C)c3ccccc3OC(F)F)nc(=O)c2c1C ZINC000538144890 1013705273 /nfs/dbraw/zinc/70/52/73/1013705273.db2.gz LNZSNDRZSHCSTG-SNVBAGLBSA-N -1 3 423.441 3.532 20 0 HHADHM O=C(Nc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1cc(-c2ccco2)n[nH]1 ZINC000064509907 967219287 /nfs/dbraw/zinc/21/92/87/967219287.db2.gz KHYLJRIQIOWHSE-UHFFFAOYSA-N -1 3 408.439 3.723 20 0 HHADHM CSc1ccc(Cl)cc1NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000064562747 967236359 /nfs/dbraw/zinc/23/63/59/967236359.db2.gz FIYWNUNTHAEEBO-UHFFFAOYSA-N -1 3 405.907 3.757 20 0 HHADHM Cc1cc2occ(CC(=O)N[N-]C(=O)c3ccc(F)cc3Br)c2cc1C ZINC000064835546 967306221 /nfs/dbraw/zinc/30/62/21/967306221.db2.gz RABLORSGNFYBBK-UHFFFAOYSA-N -1 3 419.250 3.955 20 0 HHADHM O=C(Cc1ccc(NC(=O)c2ccc(Br)o2)cc1)Nc1ncccc1[O-] ZINC000044948726 967317159 /nfs/dbraw/zinc/31/71/59/967317159.db2.gz SDNUZNKMBPEWGR-UHFFFAOYSA-N -1 3 416.231 3.576 20 0 HHADHM CCC(C)(C)NC(=O)[C@@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C(C)C ZINC000045101755 967354175 /nfs/dbraw/zinc/35/41/75/967354175.db2.gz BLFHPQCKEDMWQD-INIZCTEOSA-N -1 3 413.547 3.530 20 0 HHADHM COc1ccc([C@@H](NC(=O)N[N-]C(=O)c2ccccc2Br)C2CC2)cc1 ZINC000045319301 967421258 /nfs/dbraw/zinc/42/12/58/967421258.db2.gz FSRRGKQPXVEUJU-KRWDZBQOSA-N -1 3 418.291 3.553 20 0 HHADHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1ccc(N2CCOCC2)cc1 ZINC000065277624 967424393 /nfs/dbraw/zinc/42/43/93/967424393.db2.gz CPGWWVJXPREMJP-NSHDSACASA-N -1 3 421.371 3.931 20 0 HHADHM CCOc1ccc([C@H](C)NC(=O)N[N-]C(=O)c2ccccc2Br)cc1 ZINC000045352480 967434570 /nfs/dbraw/zinc/43/45/70/967434570.db2.gz QEEUKOQTLLPOFR-LBPRGKRZSA-N -1 3 406.280 3.553 20 0 HHADHM CC(=O)Nc1ccc(CNC(=O)NN=c2[n-]c(Cl)c(Cl)cc2Cl)cc1 ZINC000045437356 967461542 /nfs/dbraw/zinc/46/15/42/967461542.db2.gz URDHNPDKOGLVGQ-UHFFFAOYSA-N -1 3 402.669 3.827 20 0 HHADHM O=C(CCCOc1ccc(I)cc1)[N-]OCc1ccccc1 ZINC000065627991 967547559 /nfs/dbraw/zinc/54/75/59/967547559.db2.gz WBXMJEOTAMRWPH-UHFFFAOYSA-N -1 3 411.239 3.698 20 0 HHADHM O=C(OCc1ccc(F)cc1)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000045916637 967593335 /nfs/dbraw/zinc/59/33/35/967593335.db2.gz SZZFFPICERLDQR-UHFFFAOYSA-N -1 3 418.273 3.930 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cccc(NC(=O)[C@H]4C[C@@H]4C)c3)c2)n1 ZINC000046066105 967650966 /nfs/dbraw/zinc/65/09/66/967650966.db2.gz ZFEMWYVGWTWKLZ-XOBRGWDASA-N -1 3 416.481 3.846 20 0 HHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2cc3ccccc3o2)ccc1F ZINC000046166930 967684911 /nfs/dbraw/zinc/68/49/11/967684911.db2.gz OBOZLJZTGPMSSA-ZDUSSCGKSA-N -1 3 404.463 3.750 20 0 HHADHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1csc(Cc2ccccc2)n1 ZINC000046240741 967707548 /nfs/dbraw/zinc/70/75/48/967707548.db2.gz MXQUEZVFXXMSLJ-UHFFFAOYSA-N -1 3 407.495 3.587 20 0 HHADHM O=C(NN=c1[n-]c(Cl)c(Cl)cc1Cl)NC1CCN(c2ccccn2)CC1 ZINC000046943759 968015422 /nfs/dbraw/zinc/01/54/22/968015422.db2.gz DVUYSIKZEFJWPS-UHFFFAOYSA-N -1 3 415.712 3.732 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccnc(N(C)C)c3)cc2)cc1 ZINC000047065220 968045021 /nfs/dbraw/zinc/04/50/21/968045021.db2.gz VQBLEPYXUYAKTD-UHFFFAOYSA-N -1 3 410.499 3.509 20 0 HHADHM CCOc1ccc([C@@H](NC(=O)N[N-]C(=O)c2ccccc2F)c2ccccc2)cc1 ZINC000047069221 968046029 /nfs/dbraw/zinc/04/60/29/968046029.db2.gz DLYQJRUSJSUTSN-NRFANRHFSA-N -1 3 407.445 3.958 20 0 HHADHM O=C(NCCc1ccc2ccccc2c1)N[N-]C(=O)c1ccccc1Br ZINC000047066247 968046072 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412.555 3.819 20 0 HHADHM CN(C)CCN(CC(=O)[O-])C(=O)CC1(Cc2nc3ccccc3s2)CCCCC1 ZINC000237116711 970225302 /nfs/dbraw/zinc/22/53/02/970225302.db2.gz TVYOCSIUHBSFGT-UHFFFAOYSA-N -1 3 417.575 3.654 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N(C)[C@H]2CCCc3ccccc32)cc1OC ZINC000144595024 970236367 /nfs/dbraw/zinc/23/63/67/970236367.db2.gz RYEGZGWCZFSXAX-IBGZPJMESA-N -1 3 417.531 3.998 20 0 HHADHM COc1ccc(NC(=O)C(C#N)=C([O-])c2sc(C(C)(C)C)nc2C)cc1OC ZINC000147132185 970318804 /nfs/dbraw/zinc/31/88/04/970318804.db2.gz HUYQTSUWDPWKAH-ZDUSSCGKSA-N -1 3 401.488 3.727 20 0 HHADHM COc1cccc(CC[N-]S(=O)(=O)c2cc(Br)ccc2Cl)c1 ZINC000166166239 970463694 /nfs/dbraw/zinc/46/36/94/970463694.db2.gz ORXKGNBONOFCDJ-UHFFFAOYSA-N -1 3 404.713 3.632 20 0 HHADHM COc1cc(C=NN2C(=S)N=NC2c2ccccc2)cc(Br)c1[O-] ZINC000254769462 970579214 /nfs/dbraw/zinc/57/92/14/970579214.db2.gz OQIQXIQSCZVSOJ-UHFFFAOYSA-N -1 3 405.277 3.593 20 0 HHADHM C[C@@H]1CCC[C@@H](C)C1NC(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000554687579 1014013684 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3.710 20 0 HHADHM O=S(=O)([N-]Cc1ccc2c(c1)CCCN2)c1c(Cl)cccc1Br ZINC000381481916 972780406 /nfs/dbraw/zinc/78/04/06/972780406.db2.gz NXQFAWOSDNLVND-UHFFFAOYSA-N -1 3 415.740 3.939 20 0 HHADHM CN(C(=O)c1ccc(Br)cc1[O-])[C@H]1CCCN(Cc2ccccc2)C1 ZINC000388245698 972803648 /nfs/dbraw/zinc/80/36/48/972803648.db2.gz DEVYXLQPVPZDJJ-KRWDZBQOSA-N -1 3 403.320 3.891 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]C[C@H](c2ccco2)N2CCCC2)sc1Br ZINC000391286036 972838087 /nfs/dbraw/zinc/83/80/87/972838087.db2.gz RGCPDCMBLFXFMT-GFCCVEGCSA-N -1 3 419.366 3.527 20 0 HHADHM COc1ccc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)cc1 ZINC000409791968 973267927 /nfs/dbraw/zinc/26/79/27/973267927.db2.gz BOSQGONVVFFCDC-INIZCTEOSA-N -1 3 408.376 3.663 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)c3cccc(C4CCC4)c3)c2)[n-]1 ZINC000409999037 973474087 /nfs/dbraw/zinc/47/40/87/973474087.db2.gz QQXOHOJRCFQGNX-UHFFFAOYSA-N -1 3 404.470 3.846 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)c3cccc(C4CCC4)c3)c2)n[n-]1 ZINC000409999037 973474094 /nfs/dbraw/zinc/47/40/94/973474094.db2.gz QQXOHOJRCFQGNX-UHFFFAOYSA-N -1 3 404.470 3.846 20 0 HHADHM C[C@H]([N-]S(=O)(=O)c1cccc2c1OC(C)(C)C2)c1nc(-c2cccc(F)c2)no1 ZINC000410148105 973633620 /nfs/dbraw/zinc/63/36/20/973633620.db2.gz PIMMCQKQJWLLQV-LBPRGKRZSA-N -1 3 417.462 3.629 20 0 HHADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2cc(-c3ccnn3C)ccc2C)cc1 ZINC000410415283 974013566 /nfs/dbraw/zinc/01/35/66/974013566.db2.gz CUIWVJMSSICSBT-UHFFFAOYSA-N -1 3 415.515 3.612 20 0 HHADHM CC[C@H](C)Oc1ccc(C(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)cc1 ZINC000426172319 974282736 /nfs/dbraw/zinc/28/27/36/974282736.db2.gz MULUYOAEMNNGRJ-AWEZNQCLSA-N -1 3 406.504 3.886 20 0 HHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N(C)CC3(O)CCCCCC3)nc(=O)c2c1C ZINC000426263192 974355643 /nfs/dbraw/zinc/35/56/43/974355643.db2.gz JZNLFPMNJNHDFE-CQSZACIVSA-N -1 3 421.563 3.548 20 0 HHADHM CC(C)Nc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)cn1 ZINC000426387376 974426758 /nfs/dbraw/zinc/42/67/58/974426758.db2.gz AANMMCVQGMJXPP-UHFFFAOYSA-N -1 3 416.425 3.545 20 0 HHADHM O=C(NCc1ccc([O-])c(F)c1)C(=O)Nc1cc(Cl)ccc1OC1CCCC1 ZINC000426565936 974533052 /nfs/dbraw/zinc/53/30/52/974533052.db2.gz CZWSVBFSIGZRTL-UHFFFAOYSA-N -1 3 406.841 3.761 20 0 HHADHM COc1ccc(CNCC[C@H](Cc2ccccc2)C(=O)[O-])c(Br)c1O ZINC000426643289 974578673 /nfs/dbraw/zinc/57/86/73/974578673.db2.gz OBZWUOAYMPTXCH-CQSZACIVSA-N -1 3 408.292 3.587 20 0 HHADHM COc1cc(Br)c(CNC[C@@]2(CC(=O)[O-])CC[C@@H](C)C2)c(OC)c1 ZINC000426641854 974578916 /nfs/dbraw/zinc/57/89/16/974578916.db2.gz CCLJPZUNJPZHQS-XIKOKIGWSA-N -1 3 400.313 3.837 20 0 HHADHM COc1ccc([C@H](CCC(=O)[O-])NCc2cc3c(c(Br)c2)OCO3)cc1 ZINC000426724446 974617155 /nfs/dbraw/zinc/61/71/55/974617155.db2.gz SJPNBCIIFRPQMB-INIZCTEOSA-N -1 3 422.275 3.882 20 0 HHADHM COc1cccc(CN[C@@H](Cc2csc(-c3ccccc3Cl)n2)C(=O)[O-])n1 ZINC000426738790 974626452 /nfs/dbraw/zinc/62/64/52/974626452.db2.gz YXAFNSTXWQKVOR-INIZCTEOSA-N -1 3 403.891 3.653 20 0 HHADHM COc1cc(Cl)c(CN[C@@H](CN2CCCc3ccccc32)C(=O)[O-])cc1Cl ZINC000426743208 974629072 /nfs/dbraw/zinc/62/90/72/974629072.db2.gz SSMITARXCIJUCA-KRWDZBQOSA-N -1 3 409.313 3.998 20 0 HHADHM COc1ccc(Br)cc1[C@H](NCc1ccc(-n2ccnc2)cc1)C(=O)[O-] ZINC000426747038 974631589 /nfs/dbraw/zinc/63/15/89/974631589.db2.gz MJOBTLXBPKVNBJ-SFHVURJKSA-N -1 3 416.275 3.559 20 0 HHADHM O=C([O-])[C@@H](CN1CCCCC1)NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000426747646 974632437 /nfs/dbraw/zinc/63/24/37/974632437.db2.gz QTVQJUKSGGKHTC-QGZVFWFLSA-N -1 3 407.308 3.738 20 0 HHADHM COc1cccc(CSC[C@H](NCc2ccccc2Br)C(=O)[O-])c1 ZINC000426747468 974632548 /nfs/dbraw/zinc/63/25/48/974632548.db2.gz PMBBCZXZAOUGED-KRWDZBQOSA-N -1 3 410.333 3.934 20 0 HHADHM Cc1ccc(-c2ncc(CN[C@@H](Cn3ccc(C(F)(F)F)n3)C(=O)[O-])s2)cc1 ZINC000426749701 974633926 /nfs/dbraw/zinc/63/39/26/974633926.db2.gz HSWSZGFTYMCSIN-AWEZNQCLSA-N -1 3 410.421 3.577 20 0 HHADHM O=C([O-])[C@H](CN1CCCc2ccccc21)NCc1ccc(Br)cc1F ZINC000426750181 974633967 /nfs/dbraw/zinc/63/39/67/974633967.db2.gz LPRBJJLGZLZEEK-KRWDZBQOSA-N -1 3 407.283 3.584 20 0 HHADHM CC(C)Oc1ccc(Cl)cc1NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000426751014 974634981 /nfs/dbraw/zinc/63/49/81/974634981.db2.gz RYXSXJZWPDOBMA-UHFFFAOYSA-N -1 3 423.343 3.759 20 0 HHADHM COc1cccc(CSC[C@@H](NCc2cc(Cl)cc3c2OCC3)C(=O)[O-])c1 ZINC000426754489 974636578 /nfs/dbraw/zinc/63/65/78/974636578.db2.gz QQJXWFOMCGSSLY-GOSISDBHSA-N -1 3 407.919 3.760 20 0 HHADHM Cc1cc(C)cc([C@@H](NCc2cc(Br)c3c(c2)OCCO3)C(=O)[O-])c1 ZINC000426759091 974638801 /nfs/dbraw/zinc/63/88/01/974638801.db2.gz KYOQLUNHJYZVTA-QGZVFWFLSA-N -1 3 406.276 3.753 20 0 HHADHM Cc1nc(COc2ccc(CN[C@H](C(=O)[O-])c3ccc(Cl)c(C)c3)cc2)no1 ZINC000426803221 974671978 /nfs/dbraw/zinc/67/19/78/974671978.db2.gz LEUSMBIFLGYBNE-IBGZPJMESA-N -1 3 401.850 3.834 20 0 HHADHM COCCOc1ccc(CN[C@H](CC(=O)[O-])c2cccc(Br)c2)cc1 ZINC000426807607 974675836 /nfs/dbraw/zinc/67/58/36/974675836.db2.gz IELVVAMSUYVIHF-GOSISDBHSA-N -1 3 408.292 3.780 20 0 HHADHM CCOc1c(Br)cc(CN[C@@H](C(=O)[O-])c2ccsc2)cc1OC ZINC000426816189 974681725 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COC(=O)C1(CS(=O)(=O)[N-]c2cc(OC)c(C(C)C)c(OC)c2)CCCCC1 ZINC000427327326 975055245 /nfs/dbraw/zinc/05/52/45/975055245.db2.gz KXQWUTMGTONSHL-UHFFFAOYSA-N -1 3 413.536 3.692 20 0 HHADHM COCCc1ccc(S(=O)(=O)[N-]c2ccnc(N3CCc4ccccc4C3)c2)cc1 ZINC000427633352 975217535 /nfs/dbraw/zinc/21/75/35/975217535.db2.gz IIYBGZKBASMYNH-UHFFFAOYSA-N -1 3 423.538 3.634 20 0 HHADHM CCSc1cccc(F)c1[N-]S(=O)(=O)c1cc(COC)cc(C(=O)OC)c1 ZINC000427766375 975277095 /nfs/dbraw/zinc/27/70/95/975277095.db2.gz NWWBBKTVPUQOJF-UHFFFAOYSA-N -1 3 413.492 3.672 20 0 HHADHM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1ccc2nc(-c3ccccc3)[nH]c2c1 ZINC000427785949 975287533 /nfs/dbraw/zinc/28/75/33/975287533.db2.gz BZKFYIKHVQGSCC-UHFFFAOYSA-N -1 3 412.453 3.776 20 0 HHADHM O=C([O-])[C@@H]1CN(C(=O)[C@H]2CCCN2Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC000427786986 975287925 /nfs/dbraw/zinc/28/79/25/975287925.db2.gz FPAJWOPYYQNUAB-PWRODBHTSA-N -1 3 412.917 3.631 20 0 HHADHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCCCCO)c2)cc1 ZINC000427815723 975305192 /nfs/dbraw/zinc/30/51/92/975305192.db2.gz GCTLNJUWDSRKQD-UHFFFAOYSA-N -1 3 418.559 3.641 20 0 HHADHM Cc1nc(C2([N-]S(=O)(=O)Cc3cc(Cl)cc(Cl)c3)CCCCC2)no1 ZINC000427826251 975310844 /nfs/dbraw/zinc/31/08/44/975310844.db2.gz NKMYRIICKOFGDM-UHFFFAOYSA-N -1 3 404.319 3.964 20 0 HHADHM O=C(Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1cc(F)cc2n[n-]nc21 ZINC000428020591 975390426 /nfs/dbraw/zinc/39/04/26/975390426.db2.gz FPVCFSGRHAHGQY-UHFFFAOYSA-N -1 3 408.290 3.693 20 0 HHADHM CCC(C)(C)CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)cc2)ccc1C ZINC000428271625 975586454 /nfs/dbraw/zinc/58/64/54/975586454.db2.gz OMINGYIOYFEOFV-UHFFFAOYSA-N -1 3 404.532 3.970 20 0 HHADHM O=S(=O)([N-]C[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)c1ccc(Cl)s1 ZINC000428395384 975716438 /nfs/dbraw/zinc/71/64/38/975716438.db2.gz DWZAYDMGUMVAOX-WMLDXEAASA-N -1 3 403.928 3.593 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C(C)(C)C(F)(F)F)cc2)c(C)o1 ZINC000428455189 975761112 /nfs/dbraw/zinc/76/11/12/975761112.db2.gz SHZLXGOSRNEOCO-UHFFFAOYSA-N -1 3 404.410 3.588 20 0 HHADHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)Nc2cccc(C3CCC3)c2)CCCC1 ZINC000428484552 975784707 /nfs/dbraw/zinc/78/47/07/975784707.db2.gz SPFOTXXEHFBYIR-UHFFFAOYSA-N -1 3 417.531 3.789 20 0 HHADHM CC(C)N(C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O)[C@@H]1CCOC1 ZINC000428485617 975784885 /nfs/dbraw/zinc/78/48/85/975784885.db2.gz SGWFTIJSLRCRRM-LLVKDONJSA-N -1 3 413.699 3.584 20 0 HHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)Nc3cc4c(cn3)CCCC4)cs2)c1 ZINC000428602222 975910817 /nfs/dbraw/zinc/91/08/17/975910817.db2.gz SJOGWILELLTHPC-UHFFFAOYSA-N -1 3 422.510 3.864 20 0 HHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N(C)CCc1cccc(Br)c1 ZINC000428912631 976214281 /nfs/dbraw/zinc/21/42/81/976214281.db2.gz OUHOUYTXEUDGTC-UHFFFAOYSA-N -1 3 406.324 3.865 20 0 HHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2ncncc2Cl)cc1 ZINC000428995436 976275607 /nfs/dbraw/zinc/27/56/07/976275607.db2.gz HESGGVWIUZRRPF-UHFFFAOYSA-N -1 3 416.890 3.800 20 0 HHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CCc4cccc(C)c4C3)nc(=O)c2c1C ZINC000429573638 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416.396 3.776 20 0 HHADHM O=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436485798 981396657 /nfs/dbraw/zinc/39/66/57/981396657.db2.gz LSVPVWDJLDSEKQ-HXUWFJFHSA-N -1 3 413.905 3.664 20 0 HHADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000436489249 981398108 /nfs/dbraw/zinc/39/81/08/981398108.db2.gz NBBNIYISUOLZHL-ROUUACIJSA-N -1 3 419.308 3.787 20 0 HHADHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1ccc(OC2CCCC2)c(Cl)c1 ZINC000436490227 981398510 /nfs/dbraw/zinc/39/85/10/981398510.db2.gz OMMPMXUTFUZCDE-UHFFFAOYSA-N -1 3 417.893 3.919 20 0 HHADHM CC[C@H](C)Oc1cccc(NC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000436526332 981419258 /nfs/dbraw/zinc/41/92/58/981419258.db2.gz FMPOMDKNOFLXOJ-INIZCTEOSA-N -1 3 411.502 3.996 20 0 HHADHM CC[C@H](NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1nccs1 ZINC000436527734 981420217 /nfs/dbraw/zinc/42/02/17/981420217.db2.gz UYJRBTZMIQOPMD-OALUTQOASA-N -1 3 409.511 3.977 20 0 HHADHM CC[C@@H](C)Oc1ccc(NC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436531684 981423578 /nfs/dbraw/zinc/42/35/78/981423578.db2.gz UMUYBQUFOGHLET-MRXNPFEDSA-N -1 3 411.502 3.996 20 0 HHADHM COc1ccc(Br)cc1[C@H]1CCCN1C(=O)c1cc2c(cc1[O-])OCO2 ZINC000436532142 981424220 /nfs/dbraw/zinc/42/42/20/981424220.db2.gz GIRHSZVQANOSFU-CQSZACIVSA-N -1 3 420.259 3.869 20 0 HHADHM CC(C)CSCCNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436538194 981428166 /nfs/dbraw/zinc/42/81/66/981428166.db2.gz SNAICVBZTLVHHK-FQEVSTJZSA-N -1 3 400.544 3.759 20 0 HHADHM C[C@H]1CN(CC2CCN(C(=O)c3ccc(Cl)c(Cl)c3[O-])CC2)C[C@H](C)O1 ZINC000436539695 981429871 /nfs/dbraw/zinc/42/98/71/981429871.db2.gz OOSANNRNAJCGTG-STQMWFEESA-N -1 3 401.334 3.660 20 0 HHADHM CCCCN(C(=O)c1cc(CCc2ccccc2)ccc1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000436546385 981434047 /nfs/dbraw/zinc/43/40/47/981434047.db2.gz KBQPUPCGIFGPPZ-HXUWFJFHSA-N -1 3 415.555 3.607 20 0 HHADHM CN(Cc1nc(-c2cccnc2)no1)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436547852 981435113 /nfs/dbraw/zinc/43/51/13/981435113.db2.gz YOWQOUZTZRPAEY-UHFFFAOYSA-N -1 3 400.438 3.700 20 0 HHADHM Cc1ccc(C(=O)Nc2ccc(Oc3ccc(S(N)(=O)=O)cc3)cc2)c([O-])c1C ZINC000436551964 981437283 /nfs/dbraw/zinc/43/72/83/981437283.db2.gz ANOFOIIXEAOYEE-UHFFFAOYSA-N -1 3 412.467 3.701 20 0 HHADHM CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436555165 981440400 /nfs/dbraw/zinc/44/04/00/981440400.db2.gz JULQOBJMTHTKLJ-BKULYWANSA-N -1 3 424.541 3.821 20 0 HHADHM O=C(c1ccccc1[O-])N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000436556902 981441912 /nfs/dbraw/zinc/44/19/12/981441912.db2.gz MSPJZVWYRRRPLH-HZPDHXFCSA-N -1 3 419.308 3.787 20 0 HHADHM COCC1(C)CCN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC1 ZINC000436557688 981442351 /nfs/dbraw/zinc/44/23/51/981442351.db2.gz OESYLCHDHHCIAK-NRFANRHFSA-N -1 3 410.514 3.529 20 0 HHADHM COc1cc(C)cc(CNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC000436558374 981443252 /nfs/dbraw/zinc/44/32/52/981443252.db2.gz VAJJNCCMHZTWKT-HSZRJFAPSA-N -1 3 418.493 3.887 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1ccc2c(c1)COC2 ZINC000436558054 981443315 /nfs/dbraw/zinc/44/33/15/981443315.db2.gz SZXARIRCTAJBOY-JOCHJYFZSA-N -1 3 402.450 3.922 20 0 HHADHM CC(C)[C@@H]1C[C@@H](NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCO1 ZINC000436560993 981445479 /nfs/dbraw/zinc/44/54/79/981445479.db2.gz ALSSSTXEZPISOX-BVSLBCMMSA-N -1 3 410.514 3.573 20 0 HHADHM O=C(Nc1cccc(OC2CCCC2)c1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436567131 981449391 /nfs/dbraw/zinc/44/93/91/981449391.db2.gz YAQMQAGWFSFSAG-UHFFFAOYSA-N -1 3 409.486 3.704 20 0 HHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCNC(=O)[C@@H]1c1cccs1 ZINC000436570672 981451029 /nfs/dbraw/zinc/45/10/29/981451029.db2.gz AHPCWWGICUUNIV-NRFANRHFSA-N -1 3 406.507 3.552 20 0 HHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000436575392 981454238 /nfs/dbraw/zinc/45/42/38/981454238.db2.gz IVGDCCANFHVKQJ-IBGZPJMESA-N -1 3 402.498 3.541 20 0 HHADHM Cc1nc2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccc4ccccc4c3[O-])cc2[nH]1 ZINC000436578785 981456379 /nfs/dbraw/zinc/45/63/79/981456379.db2.gz SJZNYANORCHTHO-NRFANRHFSA-N -1 3 414.465 3.973 20 0 HHADHM CCc1nsc(N2CCN(C(=O)c3cc(CCc4ccccc4)ccc3[O-])CC2)n1 ZINC000436578393 981456446 /nfs/dbraw/zinc/45/64/46/981456446.db2.gz XKRDGJSXFKHGSE-UHFFFAOYSA-N -1 3 422.554 3.554 20 0 HHADHM CN(C(=O)c1cc(CCc2ccccc2)ccc1[O-])C1CCN(c2cccnn2)CC1 ZINC000436586819 981461461 /nfs/dbraw/zinc/46/14/61/981461461.db2.gz VAMJOLITORDMHT-UHFFFAOYSA-N -1 3 416.525 3.708 20 0 HHADHM O=C(C[C@H]1COCCN1C(=O)c1cc(CCc2ccccc2)ccc1[O-])c1ccco1 ZINC000436587598 981462111 /nfs/dbraw/zinc/46/21/11/981462111.db2.gz PPWOFNFLOUAKRQ-FQEVSTJZSA-N -1 3 419.477 3.884 20 0 HHADHM Cc1ccc(NC(=O)NCCNC(=O)c2ccc([O-])cc2)c(OCc2ccccc2)c1 ZINC000436593708 981464863 /nfs/dbraw/zinc/46/48/63/981464863.db2.gz DDMQULACTJBQOK-UHFFFAOYSA-N -1 3 419.481 3.831 20 0 HHADHM Cc1cn(-c2ncccc2F)nc1NC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436600159 981467251 /nfs/dbraw/zinc/46/72/51/981467251.db2.gz DHJQCQGSCOWEOY-UHFFFAOYSA-N -1 3 418.428 4.252 20 0 HHADHM Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436604474 981469661 /nfs/dbraw/zinc/46/96/61/981469661.db2.gz JMFZKQQABJULTR-GOSISDBHSA-N -1 3 409.530 3.609 20 0 HHADHM O=S(=O)([N-]Cc1nc(-c2ccc(O)c3ccccc23)no1)c1ccc(Cl)s1 ZINC000436614450 981475491 /nfs/dbraw/zinc/47/54/91/981475491.db2.gz XQOIJEJXXBGASQ-UHFFFAOYSA-N -1 3 421.887 3.789 20 0 HHADHM Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1Br ZINC000436616028 981475973 /nfs/dbraw/zinc/47/59/73/981475973.db2.gz HVHSKXFCJASIQU-MRXNPFEDSA-N -1 3 403.276 3.706 20 0 HHADHM CS(=O)(=O)Cc1cccc(CNC(=O)c2cc(CCc3ccccc3)ccc2[O-])c1 ZINC000436616712 981476569 /nfs/dbraw/zinc/47/65/69/981476569.db2.gz KWIFXNOZWMTFMM-UHFFFAOYSA-N -1 3 423.534 3.652 20 0 HHADHM Cc1cc(Oc2ncccn2)ccc1NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436618270 981477393 /nfs/dbraw/zinc/47/73/93/981477393.db2.gz KQRHUWMKNKCVIM-IBGZPJMESA-N -1 3 418.453 3.526 20 0 HHADHM CCOc1ncccc1NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436623700 981480223 /nfs/dbraw/zinc/48/02/23/981480223.db2.gz IVNSMJIHHWLGQJ-FQEVSTJZSA-N -1 3 405.454 3.686 20 0 HHADHM CCCCCn1nc(C)cc1NC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436623449 981480382 /nfs/dbraw/zinc/48/03/82/981480382.db2.gz ZHIZRXIGBQESIC-UHFFFAOYSA-N -1 3 413.522 3.514 20 0 HHADHM C[C@]1(CCc2ccccc2)CCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000436624647 981480907 /nfs/dbraw/zinc/48/09/07/981480907.db2.gz KMAXQMPWWVMRAC-BWKNWUBXSA-N -1 3 406.526 3.868 20 0 HHADHM O=C(NCCCc1cccc(C(F)(F)F)c1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436624209 981480977 /nfs/dbraw/zinc/48/09/77/981480977.db2.gz AVPFAMMOFXOHAX-GOSISDBHSA-N -1 3 420.431 3.765 20 0 HHADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CCC(CCc2ccccc2)CC1 ZINC000436627893 981482619 /nfs/dbraw/zinc/48/26/19/981482619.db2.gz YXCRIXLMAOBYTP-JOCHJYFZSA-N -1 3 406.526 3.868 20 0 HHADHM O=C(c1ccccc1[O-])N1CCN(C(=O)c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000436629756 981483240 /nfs/dbraw/zinc/48/32/40/981483240.db2.gz KRFKHVFKSBHDDF-UHFFFAOYSA-N -1 3 412.795 3.663 20 0 HHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@@H](C)Cc3cccs3)cs2)c1 ZINC000436633206 981484287 /nfs/dbraw/zinc/48/42/87/981484287.db2.gz JETAFDVWSPETNQ-ZDUSSCGKSA-N -1 3 415.540 3.761 20 0 HHADHM O=C(Cc1coc2cc3c(cc12)CCC3)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436635355 981485750 /nfs/dbraw/zinc/48/57/50/981485750.db2.gz PFDGCMRDPDMNDV-UHFFFAOYSA-N -1 3 418.493 3.591 20 0 HHADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2ccc(Cl)c(Br)c2)CC1 ZINC000436644531 981490283 /nfs/dbraw/zinc/49/02/83/981490283.db2.gz ACISIXKKFYLCFG-UHFFFAOYSA-N -1 3 409.711 3.766 20 0 HHADHM CCN(CCOc1ccc(Br)cc1)C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000436650797 981492566 /nfs/dbraw/zinc/49/25/66/981492566.db2.gz XHJZKRGYGVKQCH-UHFFFAOYSA-N -1 3 406.276 3.898 20 0 HHADHM Cn1cc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c(C2CC2)n1 ZINC000436656182 981494584 /nfs/dbraw/zinc/49/45/84/981494584.db2.gz PEOQYAVQIJFCAC-IBGZPJMESA-N -1 3 404.470 3.503 20 0 HHADHM O=C(CC(c1ccccc1)c1ccccc1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436656152 981494726 /nfs/dbraw/zinc/49/47/26/981494726.db2.gz OWOTWNPUFCXWLN-UHFFFAOYSA-N -1 3 414.505 3.899 20 0 HHADHM CN(Cc1ccccc1OC(F)(F)F)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436662498 981498418 /nfs/dbraw/zinc/49/84/18/981498418.db2.gz GDZSIYKCIXMHML-INIZCTEOSA-N -1 3 422.403 3.554 20 0 HHADHM Cc1c(Cl)cc(F)c(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c1F ZINC000436662656 981498514 /nfs/dbraw/zinc/49/85/14/981498514.db2.gz JLDVTAKVNRGCEU-UHFFFAOYSA-N -1 3 409.820 3.622 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2C[C@H](C)O[C@@H](c3ccccc3)C2)c1 ZINC000436665502 981500007 /nfs/dbraw/zinc/50/00/07/981500007.db2.gz PDYITNRROCSMQF-LHSJRXKWSA-N -1 3 421.453 3.543 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C)[C@@H]2CCc3ccccc3C2)c1 ZINC000436667288 981500583 /nfs/dbraw/zinc/50/05/83/981500583.db2.gz XFMMAYQLKJWUOB-GOSISDBHSA-N -1 3 405.454 3.570 20 0 HHADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000436666289 981500771 /nfs/dbraw/zinc/50/07/71/981500771.db2.gz QILKCHHDSCFLTK-WBVHZDCISA-N -1 3 410.436 3.578 20 0 HHADHM COc1c(C)cc(CN(C)C(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])cc1C ZINC000436667858 981500833 /nfs/dbraw/zinc/50/08/33/981500833.db2.gz ZWNQAFDVRGGPDQ-UHFFFAOYSA-N -1 3 423.469 3.839 20 0 HHADHM COc1ccc([C@H](C)CCNC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])cc1 ZINC000436668307 981501302 /nfs/dbraw/zinc/50/13/02/981501302.db2.gz BIYKUFIRVDDCFE-CQSZACIVSA-N -1 3 423.469 3.873 20 0 HHADHM CC[C@@H](c1ccncc1)N(CC)C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000436669767 981502065 /nfs/dbraw/zinc/50/20/65/981502065.db2.gz NNWVRXBELKVUDM-IBGZPJMESA-N -1 3 408.458 3.949 20 0 HHADHM CC(C)(CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])c1ccccc1Cl ZINC000436670758 981502850 /nfs/dbraw/zinc/50/28/50/981502850.db2.gz HCTCBPVAQDDYRQ-SFHVURJKSA-N -1 3 400.906 3.744 20 0 HHADHM COc1ccc([C@@H]2CCCN2C(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])cc1 ZINC000436671690 981504162 /nfs/dbraw/zinc/50/41/62/981504162.db2.gz BGQQOWKQTYYIME-FQEVSTJZSA-N -1 3 421.453 3.927 20 0 HHADHM CCOc1ccc(Oc2cc(CNC(=O)c3cc4c(cc3[O-])OCO4)ccn2)cc1 ZINC000436673863 981505496 /nfs/dbraw/zinc/50/54/96/981505496.db2.gz PYTCHSJMUOAQPJ-UHFFFAOYSA-N -1 3 408.410 3.637 20 0 HHADHM O=C(Nc1ccc(Oc2ccc(F)cc2)cn1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436676856 981506738 /nfs/dbraw/zinc/50/67/38/981506738.db2.gz UXADVTMSYPTFTA-IBGZPJMESA-N -1 3 421.428 3.962 20 0 HHADHM COc1cc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])cc(S(C)(=O)=O)c1 ZINC000436677551 981507017 /nfs/dbraw/zinc/50/70/17/981507017.db2.gz XLFOTSJBIIDKPT-UHFFFAOYSA-N -1 3 411.479 3.647 20 0 HHADHM COc1cccc(C(=O)Nc2ccc(OC)c(OCc3cn4ccccc4n3)c2)c1[O-] ZINC000436678078 981507387 /nfs/dbraw/zinc/50/73/87/981507387.db2.gz ASHLYHKUBMFNDG-UHFFFAOYSA-N -1 3 419.437 3.888 20 0 HHADHM CN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1cc2c(cc1[O-])OCO2 ZINC000436678389 981507429 /nfs/dbraw/zinc/50/74/29/981507429.db2.gz GVQRNIMFCBZRHT-UHFFFAOYSA-N -1 3 407.470 3.996 20 0 HHADHM Cc1nc(-c2cccc(C(=O)NC3CCN(C(=O)c4ccccc4[O-])CC3)c2)cs1 ZINC000436682145 981509488 /nfs/dbraw/zinc/50/94/88/981509488.db2.gz PIDVOKIQEBEOPU-UHFFFAOYSA-N -1 3 421.522 3.859 20 0 HHADHM COc1cc(-c2nc(Cc3nc4ccccc4n3C(F)F)no2)cc(OC)c1[O-] ZINC000436686933 981512582 /nfs/dbraw/zinc/51/25/82/981512582.db2.gz FYGFCISASPDCBQ-UHFFFAOYSA-N -1 3 402.357 3.795 20 0 HHADHM Cc1nc(-c2cccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])c2)oc1C ZINC000436691718 981515451 /nfs/dbraw/zinc/51/54/51/981515451.db2.gz KEIZYZDJUBZXNL-IBGZPJMESA-N -1 3 405.454 3.907 20 0 HHADHM COC(=O)C[C@](C)(NC(=O)c1cc(Cc2ccccc2)ccc1[O-])c1ccncc1 ZINC000436701068 981520494 /nfs/dbraw/zinc/52/04/94/981520494.db2.gz BLTLGFBEMPMBRV-DEOSSOPVSA-N -1 3 404.466 3.586 20 0 HHADHM C[C@@H](NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(F)c2ccccc21 ZINC000436700986 981520657 /nfs/dbraw/zinc/52/06/57/981520657.db2.gz BGGKMMRYHWVIDC-MRXNPFEDSA-N -1 3 421.472 3.913 20 0 HHADHM NC(=O)c1ccccc1NCC(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000436704260 981521290 /nfs/dbraw/zinc/52/12/90/981521290.db2.gz GRIBYORISWLUMN-UHFFFAOYSA-N -1 3 418.478 3.818 20 0 HHADHM CC(C)c1ccc(C(=O)N2C[C@H]3CCC[C@@]3(c3nc(-c4cnccn4)no3)C2)c([O-])c1 ZINC000436703546 981521533 /nfs/dbraw/zinc/52/15/33/981521533.db2.gz HFYWBDBNIANHPO-WAIKUNEKSA-N -1 3 419.485 3.550 20 0 HHADHM O=C(N[C@H](c1ccccc1)C1CCCC1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436709762 981524126 /nfs/dbraw/zinc/52/41/26/981524126.db2.gz PEVHFZJLDJZBOJ-JOCHJYFZSA-N -1 3 407.514 3.791 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1cccc(CCCO)c1 ZINC000436713531 981526194 /nfs/dbraw/zinc/52/61/94/981526194.db2.gz CCLOOMMUMVVLOD-HSZRJFAPSA-N -1 3 418.493 3.817 20 0 HHADHM O=C(N[C@H]1CCCC[C@H]1c1ccccc1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436714130 981526952 /nfs/dbraw/zinc/52/69/52/981526952.db2.gz HGGIXQMIPGJKIY-VXKWHMMOSA-N -1 3 407.514 3.586 20 0 HHADHM C[C@H](NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccccc1C(F)(F)F ZINC000436717673 981528980 /nfs/dbraw/zinc/52/89/80/981528980.db2.gz UOOZVFPCLSWNQL-AWEZNQCLSA-N -1 3 421.419 3.640 20 0 HHADHM COc1ccc(C(=O)N2CCO[C@@H](c3ccc(Br)cc3)[C@H]2C)c([O-])c1 ZINC000436721260 981531309 /nfs/dbraw/zinc/53/13/09/981531309.db2.gz IITIOXAVNQNZSD-KZULUSFZSA-N -1 3 406.276 3.766 20 0 HHADHM CCN(CC)C(=O)COc1ccc(NC(=O)c2cc(OC)ccc2[O-])cc1Cl ZINC000436720938 981531370 /nfs/dbraw/zinc/53/13/70/981531370.db2.gz GMTBMJXLWVDWQV-UHFFFAOYSA-N -1 3 406.866 3.554 20 0 HHADHM CCN(CCNC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-])c1ccccc1C ZINC000436727961 981533755 /nfs/dbraw/zinc/53/37/55/981533755.db2.gz GBTULZWIUFAAIE-UHFFFAOYSA-N -1 3 422.485 3.506 20 0 HHADHM CC1(C)C(=O)N[C@@H]1C1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000436729736 981535648 /nfs/dbraw/zinc/53/56/48/981535648.db2.gz CAGRCYRITHYYGV-JOCHJYFZSA-N -1 3 406.526 3.554 20 0 HHADHM CCC[C@@H](CCc1ccccc1)NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436733491 981536827 /nfs/dbraw/zinc/53/68/27/981536827.db2.gz XQCXEYSAFKYGOE-FQEVSTJZSA-N -1 3 409.530 3.661 20 0 HHADHM CC[C@H](NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)C(C)(C)c1ccccc1 ZINC000436733294 981536874 /nfs/dbraw/zinc/53/68/74/981536874.db2.gz VRXDFAIBXWOMBD-NRFANRHFSA-N -1 3 409.530 3.616 20 0 HHADHM CC(C)[C@]1(CO)CCCN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000436732081 981536961 /nfs/dbraw/zinc/53/69/61/981536961.db2.gz CACADXCHJNWZBL-WIOPSUGQSA-N -1 3 424.541 3.511 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NC1CC(C(F)(F)F)C1 ZINC000436738434 981539503 /nfs/dbraw/zinc/53/95/03/981539503.db2.gz LDZHKFPAOQRRHN-LEOMRAHMSA-N -1 3 406.404 3.711 20 0 HHADHM COc1ccc([C@@H](C)NC(=O)c2cc(OC)c([O-])c(OC)c2)cc1Br ZINC000436744623 981541971 /nfs/dbraw/zinc/54/19/71/981541971.db2.gz NZONSIZTXYQZNZ-SNVBAGLBSA-N -1 3 410.264 3.672 20 0 HHADHM O=C(Nc1ncc(C2CCCCC2)s1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436745286 981542111 /nfs/dbraw/zinc/54/21/11/981542111.db2.gz TUIKDNZEPLWUJF-UHFFFAOYSA-N -1 3 414.531 3.886 20 0 HHADHM CN(C)c1noc([C@@H]2CCCN(C(=O)c3cc(CCc4ccccc4)ccc3[O-])C2)n1 ZINC000436745253 981542306 /nfs/dbraw/zinc/54/23/06/981542306.db2.gz SVRRWYGSJLVFAO-LJQANCHMSA-N -1 3 420.513 3.646 20 0 HHADHM NC(=O)CSc1ccccc1NC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436752725 981545931 /nfs/dbraw/zinc/54/59/31/981545931.db2.gz AVUGWBRRDXYSKG-UHFFFAOYSA-N -1 3 408.479 3.801 20 0 HHADHM Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436768090 981553483 /nfs/dbraw/zinc/55/34/83/981553483.db2.gz WCSMXYKECNRBBR-NRFANRHFSA-N -1 3 405.498 3.547 20 0 HHADHM O=C(c1ccc(-c2ccccc2Cl)o1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436769834 981554513 /nfs/dbraw/zinc/55/45/13/981554513.db2.gz JOIHPTVDSFJWFM-UHFFFAOYSA-N -1 3 410.857 3.904 20 0 HHADHM O=C(Cc1ccc(-c2ccccc2)cc1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436782681 981559436 /nfs/dbraw/zinc/55/94/36/981559436.db2.gz YCSXJDFRLJGLLG-UHFFFAOYSA-N -1 3 400.478 3.586 20 0 HHADHM Cc1ccccc1-c1nc(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cs1 ZINC000436791347 981563353 /nfs/dbraw/zinc/56/33/53/981563353.db2.gz KAYRAEMCTRPVGX-UHFFFAOYSA-N -1 3 421.522 3.859 20 0 HHADHM Cc1ccc(-c2nnc([C@@H](C)N3CCN(C(=O)c4ccc([O-])cc4)CC3)o2)cc1C ZINC000436794704 981564831 /nfs/dbraw/zinc/56/48/31/981564831.db2.gz WTJMTGPPNCXQAJ-QGZVFWFLSA-N -1 3 406.486 3.578 20 0 HHADHM Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000436797821 981567085 /nfs/dbraw/zinc/56/70/85/981567085.db2.gz PLYIOQDSYPFBKB-KRWDZBQOSA-N -1 3 410.518 3.631 20 0 HHADHM CCc1nc(C(=O)Nc2cc(Br)ccc2[O-])nn1-c1ccccc1F ZINC000436800099 981567606 /nfs/dbraw/zinc/56/76/06/981567606.db2.gz SURGCMYHKBCDFR-UHFFFAOYSA-N -1 3 405.227 3.689 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@@H]1COc2ccc(F)cc21 ZINC000436806626 981570336 /nfs/dbraw/zinc/57/03/36/981570336.db2.gz IHPLHPGLAPUCAC-NHCUHLMSSA-N -1 3 420.440 3.642 20 0 HHADHM CC[C@H]1Cc2ccccc2CN1C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000436808345 981570758 /nfs/dbraw/zinc/57/07/58/981570758.db2.gz OQEBWWPKYPKMGW-SFHVURJKSA-N -1 3 405.454 3.918 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc(Oc3ccncc3)c(C)c2)c([O-])c1 ZINC000436814800 981573358 /nfs/dbraw/zinc/57/33/58/981573358.db2.gz LZUVSKLSSDBPAM-UHFFFAOYSA-N -1 3 405.454 3.955 20 0 HHADHM Cc1nc(-c2ccccc2)sc1NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436822810 981576507 /nfs/dbraw/zinc/57/65/07/981576507.db2.gz QTZOGFIJOJLDKY-UHFFFAOYSA-N -1 3 422.510 3.814 20 0 HHADHM CCc1ccc(C(=O)N(CC(=O)Nc2cccc(C)c2C)C[C@H]2CCCO2)c([O-])c1 ZINC000436832905 981581576 /nfs/dbraw/zinc/58/15/76/981581576.db2.gz UBDJLIQEWVRWIB-LJQANCHMSA-N -1 3 410.514 3.831 20 0 HHADHM CCc1ccc(C(=O)N2CCC[C@H](N(C)C(=O)c3ccc(CC)cc3O)CC2)c([O-])c1 ZINC000436837108 981583465 /nfs/dbraw/zinc/58/34/65/981583465.db2.gz NQXCMDZTJAYFTG-IBGZPJMESA-N -1 3 424.541 3.990 20 0 HHADHM CCc1ccc(C(=O)N(C)[C@H]2CCCN(C(=O)c3ccc(CC)cc3O)CC2)c([O-])c1 ZINC000436837108 981583468 /nfs/dbraw/zinc/58/34/68/981583468.db2.gz NQXCMDZTJAYFTG-IBGZPJMESA-N -1 3 424.541 3.990 20 0 HHADHM O=C(CCSc1ccccc1Cl)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436843453 981586163 /nfs/dbraw/zinc/58/61/63/981586163.db2.gz ZQGINTCBMHVCQO-UHFFFAOYSA-N -1 3 404.919 3.512 20 0 HHADHM Cc1cc(OCc2ccccc2)ccc1NC(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000436849013 981588889 /nfs/dbraw/zinc/58/88/89/981588889.db2.gz YEZSRXBHMGELOE-UHFFFAOYSA-N -1 3 419.481 3.831 20 0 HHADHM CSC[C@@H]1CCCN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000436852033 981591535 /nfs/dbraw/zinc/59/15/35/981591535.db2.gz HIBJGEXKNCOUPZ-UTKZUKDTSA-N -1 3 412.555 3.855 20 0 HHADHM C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1C(=O)c1cc2c(cc1[O-])OCO2 ZINC000436855065 981593456 /nfs/dbraw/zinc/59/34/56/981593456.db2.gz ONIINRQQAZWWQE-BBATYDOGSA-N -1 3 409.360 3.742 20 0 HHADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)[C@H]2C[C@H]2c2cccc3ccccc32)CC1 ZINC000436861157 981595630 /nfs/dbraw/zinc/59/56/30/981595630.db2.gz ATAPVYWZQLSMDW-GOTSBHOMSA-N -1 3 400.478 3.634 20 0 HHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1cc(F)ccc1-c1ccoc1 ZINC000436869815 981597603 /nfs/dbraw/zinc/59/76/03/981597603.db2.gz BVCKOXJDKKURET-UHFFFAOYSA-N -1 3 408.429 3.826 20 0 HHADHM O=C(c1[nH]c2ccc(Cl)cc2c1Cl)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436870130 981597691 /nfs/dbraw/zinc/59/76/91/981597691.db2.gz OWTDJSRTLIRPGE-UHFFFAOYSA-N -1 3 418.280 3.779 20 0 HHADHM COc1ccccc1-c1cccc(NC(=O)NCCNC(=O)c2ccc([O-])cc2)c1 ZINC000436870865 981597845 /nfs/dbraw/zinc/59/78/45/981597845.db2.gz GLPCXYBUIBPCJH-UHFFFAOYSA-N -1 3 405.454 3.619 20 0 HHADHM Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436872464 981598121 /nfs/dbraw/zinc/59/81/21/981598121.db2.gz WRMTUAHUVSVKJZ-GOSISDBHSA-N -1 3 409.530 3.755 20 0 HHADHM COc1cc(C2(C(=O)N3CCN(C(=O)c4ccccc4[O-])CC3)CCCC2)ccc1C ZINC000436887573 981601823 /nfs/dbraw/zinc/60/18/23/981601823.db2.gz QZZKIJRDJLXFKN-UHFFFAOYSA-N -1 3 422.525 3.506 20 0 HHADHM C[C@H]1CCC[C@H](OCCCCCC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)C1 ZINC000436888060 981602113 /nfs/dbraw/zinc/60/21/13/981602113.db2.gz SPOZYVIVAOUDHP-PMACEKPBSA-N -1 3 416.562 3.832 20 0 HHADHM COc1cc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cc(OC)c1 ZINC000436901836 981608455 /nfs/dbraw/zinc/60/84/55/981608455.db2.gz ILSKKCBIKRVGMC-QFIPXVFZSA-N -1 3 420.465 3.909 20 0 HHADHM COc1cccc(CNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC000436904014 981610120 /nfs/dbraw/zinc/61/01/20/981610120.db2.gz OVLUBWSETJNZEP-QFIPXVFZSA-N -1 3 404.466 3.578 20 0 HHADHM Cc1ccccc1OCCNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436907422 981613215 /nfs/dbraw/zinc/61/32/15/981613215.db2.gz GBAKZBAVFJFEOG-JOCHJYFZSA-N -1 3 418.493 3.757 20 0 HHADHM Cc1ccccc1OCCNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436907424 981613336 /nfs/dbraw/zinc/61/33/36/981613336.db2.gz GBAKZBAVFJFEOG-QFIPXVFZSA-N -1 3 418.493 3.757 20 0 HHADHM COCc1ccc(CNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cc1 ZINC000436908714 981613851 /nfs/dbraw/zinc/61/38/51/981613851.db2.gz JFOCSLJSWCPFIM-HSZRJFAPSA-N -1 3 418.493 3.716 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1cccc2c1OCCO2 ZINC000436909422 981614363 /nfs/dbraw/zinc/61/43/63/981614363.db2.gz LPYFZEGHNIZMKG-HXUWFJFHSA-N -1 3 418.449 3.663 20 0 HHADHM COc1ccc(CN(CCc2ccccn2)C(=O)c2cc(NC(C)=O)ccc2[O-])cc1 ZINC000436911740 981617602 /nfs/dbraw/zinc/61/76/02/981617602.db2.gz GFRICJJMLJDBSJ-UHFFFAOYSA-N -1 3 419.481 3.639 20 0 HHADHM Cc1ccccc1COc1cccc(NC(=O)NCCNC(=O)c2ccc([O-])cc2)c1 ZINC000436913817 981619255 /nfs/dbraw/zinc/61/92/55/981619255.db2.gz HEIDDHAOPVFFRU-UHFFFAOYSA-N -1 3 419.481 3.831 20 0 HHADHM C[C@H]1c2cccn2CCN1C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436914376 981620358 /nfs/dbraw/zinc/62/03/58/981620358.db2.gz LCKFEZLLOXTPJU-LAUBAEHRSA-N -1 3 403.482 3.658 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCc2ccc(F)cc21 ZINC000436920024 981624627 /nfs/dbraw/zinc/62/46/27/981624627.db2.gz FNKANRRGMXPTFW-NRFANRHFSA-N -1 3 404.441 3.982 20 0 HHADHM Cc1c(NC(=O)CCNC(=O)c2ccc(C)cc2[O-])cnn1-c1ccc(Cl)cc1 ZINC000436927104 981628602 /nfs/dbraw/zinc/62/86/02/981628602.db2.gz ONGHJAZKGMVIMS-UHFFFAOYSA-N -1 3 412.877 3.607 20 0 HHADHM Cc1ncsc1CN(C)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436929368 981629390 /nfs/dbraw/zinc/62/93/90/981629390.db2.gz VFQAEZCLOJBJCY-LJQANCHMSA-N -1 3 409.511 3.677 20 0 HHADHM CN(C(=O)c1ccc(NC(=O)c2ccc3ccccc3c2[O-])cc1)[C@@H]1CCCN(C)C1 ZINC000436928848 981629535 /nfs/dbraw/zinc/62/95/35/981629535.db2.gz CLZGMEKMQAKMDU-HXUWFJFHSA-N -1 3 417.509 3.964 20 0 HHADHM O=C(N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F)c1ccccc1[O-] ZINC000436930924 981630338 /nfs/dbraw/zinc/63/03/38/981630338.db2.gz ICMVYHNADAIDFP-ZDUSSCGKSA-N -1 3 404.182 3.637 20 0 HHADHM CC(C)Oc1ccc(Cl)cc1NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436945293 981637685 /nfs/dbraw/zinc/63/76/85/981637685.db2.gz SWDQULWFGOTMKF-UHFFFAOYSA-N -1 3 417.893 3.823 20 0 HHADHM Cc1ccc(C(=O)CC(C)(C)CC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436945687 981637756 /nfs/dbraw/zinc/63/77/56/981637756.db2.gz BJNPCEVQCSQQHO-UHFFFAOYSA-N -1 3 422.525 3.674 20 0 HHADHM Cc1ccc(C)n1-c1sccc1C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436945767 981637815 /nfs/dbraw/zinc/63/78/15/981637815.db2.gz QHOLJGDXXGAUCJ-UHFFFAOYSA-N -1 3 423.538 3.896 20 0 HHADHM COc1cccc(-n2nc(C)c([C@@H]3COCCN3C(=O)c3ccc(C)cc3[O-])c2C)c1 ZINC000436952405 981642043 /nfs/dbraw/zinc/64/20/43/981642043.db2.gz WBFVILCUFUHKMW-NRFANRHFSA-N -1 3 421.497 3.725 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)c([O-])c1 ZINC000436952093 981642076 /nfs/dbraw/zinc/64/20/76/981642076.db2.gz USUHUXMTPVNXEL-UHFFFAOYSA-N -1 3 409.408 3.544 20 0 HHADHM O=C(NCCNC(=O)c1ccccc1Cl)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436953188 981642916 /nfs/dbraw/zinc/64/29/16/981642916.db2.gz MSOQPIXHHUTMQI-UHFFFAOYSA-N -1 3 410.857 3.998 20 0 HHADHM CC[C@](C)(OC)c1noc(-c2cc(CN3C(=O)c4ccccc4C3=O)cc(C)c2[O-])n1 ZINC000436954195 981643551 /nfs/dbraw/zinc/64/35/51/981643551.db2.gz DXHBVDMTYDEZSM-QHCPKHFHSA-N -1 3 421.453 3.818 20 0 HHADHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CCc2c1cccc2C(F)(F)F ZINC000436958491 981647166 /nfs/dbraw/zinc/64/71/66/981647166.db2.gz HRCKABIGOMXRJV-KRWDZBQOSA-N -1 3 404.388 3.605 20 0 HHADHM O=C(c1cc2c(cc1[O-])OCO2)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000436959248 981647875 /nfs/dbraw/zinc/64/78/75/981647875.db2.gz MIAQQOONOJCQQK-UHFFFAOYSA-N -1 3 420.259 3.567 20 0 HHADHM CCCCO[C@H]1C[C@H](NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])C1(C)C ZINC000436959093 981647992 /nfs/dbraw/zinc/64/79/92/981647992.db2.gz FNHSIAOJXXUOKR-OALUTQOASA-N -1 3 415.490 3.655 20 0 HHADHM COc1ccccc1C[C@H](C)N(C)C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000436963573 981651157 /nfs/dbraw/zinc/65/11/57/981651157.db2.gz OMQVJTVKZMEWFF-AWEZNQCLSA-N -1 3 423.469 3.653 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCc2nc(C(C)C)c(C)s2)c1 ZINC000436964776 981651969 /nfs/dbraw/zinc/65/19/69/981651969.db2.gz QSKQUYTZSDGTMO-UHFFFAOYSA-N -1 3 414.487 3.759 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2C[C@H](C)OC[C@H]2c2ccccc2)c1 ZINC000436968109 981654529 /nfs/dbraw/zinc/65/45/29/981654529.db2.gz UXPCODWJZHFNPA-XOBRGWDASA-N -1 3 421.453 3.543 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NC1Cc2ccccc2C1 ZINC000436970507 981656159 /nfs/dbraw/zinc/65/61/59/981656159.db2.gz MEIIBFXIEVITJJ-HSZRJFAPSA-N -1 3 400.478 3.537 20 0 HHADHM CCCCOc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)c([O-])c1 ZINC000436974073 981659395 /nfs/dbraw/zinc/65/93/95/981659395.db2.gz WRFQBOAVMLBHNP-KRWDZBQOSA-N -1 3 411.502 3.765 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(C)cc2OC(C)C)c1 ZINC000436975762 981660552 /nfs/dbraw/zinc/66/05/52/981660552.db2.gz MOHYQJQCEGANKG-UHFFFAOYSA-N -1 3 423.469 3.967 20 0 HHADHM CCCCOc1ccc(C(=O)NCc2cccc(NC(=O)[C@H]3CCCO3)c2)c([O-])c1 ZINC000436978114 981662823 /nfs/dbraw/zinc/66/28/23/981662823.db2.gz HGTOOXKIZMQPDU-OAQYLSRUSA-N -1 3 412.486 3.619 20 0 HHADHM CS[C@@H]1CCCCN(C(=O)Cc2csc(NC(=O)c3cc(C)ccc3[O-])n2)C1 ZINC000436980447 981664395 /nfs/dbraw/zinc/66/43/95/981664395.db2.gz QCKURUXTRNINMI-OAHLLOKOSA-N -1 3 419.572 3.696 20 0 HHADHM Cc1c(Br)scc1C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436981110 981665190 /nfs/dbraw/zinc/66/51/90/981665190.db2.gz SSQLTKPUJFMPOZ-UHFFFAOYSA-N -1 3 423.332 3.559 20 0 HHADHM Cc1n[nH]c2cc(NC(=O)Cc3csc(NC(=O)c4cc(C)ccc4[O-])n3)ccc12 ZINC000436983270 981666896 /nfs/dbraw/zinc/66/68/96/981666896.db2.gz WLLIITKPIZEOPT-UHFFFAOYSA-N -1 3 421.482 3.775 20 0 HHADHM O=C(Nc1ccccc1OCC1CC1)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436988678 981670608 /nfs/dbraw/zinc/67/06/08/981670608.db2.gz XLGMSEJCMPZFOG-UHFFFAOYSA-N -1 3 409.486 3.607 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H](c3cccc(C)c3)C2)c1 ZINC000436991247 981671713 /nfs/dbraw/zinc/67/17/13/981671713.db2.gz UUWPPWZDGRHGID-KRWDZBQOSA-N -1 3 405.454 3.879 20 0 HHADHM CCc1cnc(NC(=O)Cc2csc(NC(=O)c3cc(C)ccc3[O-])n2)s1 ZINC000436991951 981672760 /nfs/dbraw/zinc/67/27/60/981672760.db2.gz WYKKJKGTJMSDAD-UHFFFAOYSA-N -1 3 402.501 3.610 20 0 HHADHM CCCCOc1ccc(C(=O)N(C)CC(=O)Nc2cc(Cl)ccc2OC)c([O-])c1 ZINC000436995254 981674241 /nfs/dbraw/zinc/67/42/41/981674241.db2.gz QGKYOTUPNGYSMJ-UHFFFAOYSA-N -1 3 420.893 3.944 20 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ZINC000448410953 981762872 /nfs/dbraw/zinc/76/28/72/981762872.db2.gz RMSUVYPTPACMDU-UHFFFAOYSA-N -1 3 418.515 3.560 20 0 HHADHM CCCCn1ncc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)c1C ZINC000448418695 981767419 /nfs/dbraw/zinc/76/74/19/981767419.db2.gz SCECWHSGZONBQF-UHFFFAOYSA-N -1 3 419.482 3.512 20 0 HHADHM CC[C@@H]1CN(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)ccc2C)CCS1 ZINC000437147258 981796330 /nfs/dbraw/zinc/79/63/30/981796330.db2.gz DQKOKJXHMBYWRR-OAHLLOKOSA-N -1 3 422.547 3.903 20 0 HHADHM CN(C)[C@@H]1CCOc2c(NC(=O)c3cc(F)cc(Br)c3[O-])cccc21 ZINC000448492872 981830670 /nfs/dbraw/zinc/83/06/70/981830670.db2.gz QDAICTOEQGLZHF-OAHLLOKOSA-N -1 3 409.255 3.931 20 0 HHADHM Cc1ccc(-c2noc(CS(=O)(=O)[N-]c3ccc(OC(C)C)cc3)n2)c(F)c1 ZINC000460145251 981917946 /nfs/dbraw/zinc/91/79/46/981917946.db2.gz FGZUAZIAXLKFQS-UHFFFAOYSA-N -1 3 405.451 3.913 20 0 HHADHM O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000437312112 981964653 /nfs/dbraw/zinc/96/46/53/981964653.db2.gz XXCTZXOEERFTKS-JQHSSLGASA-N -1 3 419.308 3.976 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCCN2c3ccccc3C[C@@H]2C1 ZINC000460362708 982138547 /nfs/dbraw/zinc/13/85/47/982138547.db2.gz ZFJPBERRKWHEJN-MRXNPFEDSA-N -1 3 416.319 3.501 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NC[C@H](C)Cc2cccs2)cc1OC ZINC000437840240 982396991 /nfs/dbraw/zinc/39/69/91/982396991.db2.gz VSKSNIIUYDCYFK-CYBMUJFWSA-N -1 3 411.549 3.519 20 0 HHADHM O=S(=O)([N-]c1ccc(Br)c(Cl)c1Cl)c1cnc2n1CCC2 ZINC000437940734 982475086 /nfs/dbraw/zinc/47/50/86/982475086.db2.gz HNJZUIWNOOZSOY-UHFFFAOYSA-N -1 3 411.108 3.699 20 0 HHADHM CCc1ncc(S(=O)(=O)[N-][C@H](C)c2ccc(NC(=O)N(CC)CC)cc2)s1 ZINC000460889718 982628066 /nfs/dbraw/zinc/62/80/66/982628066.db2.gz PBDOYQRMCFDCEW-CYBMUJFWSA-N -1 3 410.565 3.619 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H]3[C@H](C)C3(F)F)ccc2C)cc1 ZINC000460992811 982713285 /nfs/dbraw/zinc/71/32/85/982713285.db2.gz PUFCDQIRFJEMAK-SJCJKPOMSA-N -1 3 410.442 3.644 20 0 HHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3nn(-c4ccccc4C)c4c3CCC4)nc21 ZINC000438361309 982746406 /nfs/dbraw/zinc/74/64/06/982746406.db2.gz WOOWVOMZEFWASP-UHFFFAOYSA-N -1 3 415.453 3.585 20 0 HHADHM CC(=O)N1CCCc2ccc(S(=O)(=O)[N-]c3ccc(-n4cnc(C)c4C)cc3)cc21 ZINC000461200935 982915666 /nfs/dbraw/zinc/91/56/66/982915666.db2.gz UHOACSMCGIDZEE-UHFFFAOYSA-N -1 3 424.526 3.589 20 0 HHADHM O=S(=O)(CCc1ccccc1Br)[N-]c1cnn(-c2ccccc2)c1 ZINC000461341624 983028800 /nfs/dbraw/zinc/02/88/00/983028800.db2.gz LHSJGVIHYVRXPR-UHFFFAOYSA-N -1 3 406.305 3.619 20 0 HHADHM COc1cc(F)c([N-]S(=O)(=O)c2ccc(Br)c(F)c2)cc1OC ZINC000438755665 983048741 /nfs/dbraw/zinc/04/87/41/983048741.db2.gz GURVISVBJJQFCT-UHFFFAOYSA-N -1 3 408.220 3.545 20 0 HHADHM Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc(NC(=O)CN2CCCCCC2)c1 ZINC000438768323 983058745 /nfs/dbraw/zinc/05/87/45/983058745.db2.gz DDVSOTUETNHOCO-UHFFFAOYSA-N -1 3 419.522 3.749 20 0 HHADHM CCOc1cc(N2CCN(C)CC2)ccc1[N-]S(=O)(=O)c1c(C)cc(C)cc1C ZINC000438798614 983077791 /nfs/dbraw/zinc/07/77/91/983077791.db2.gz YKFHNWVQCVNYNQ-UHFFFAOYSA-N -1 3 417.575 3.563 20 0 HHADHM Cc1cccc(F)c1[N-]S(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 ZINC000461419792 983083107 /nfs/dbraw/zinc/08/31/07/983083107.db2.gz AAAUCKKRUGGXAG-UHFFFAOYSA-N -1 3 413.268 3.582 20 0 HHADHM O=S(=O)([N-]c1ccc(-n2ccnc2)c(F)c1)c1ccc(F)c(Br)c1 ZINC000438813388 983087448 /nfs/dbraw/zinc/08/74/48/983087448.db2.gz XHCCZJVYMMYIMK-UHFFFAOYSA-N -1 3 414.231 3.714 20 0 HHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@@H]1C[C@H]2CCCC[C@H]2N1c1ncccn1 ZINC000461454815 983121472 /nfs/dbraw/zinc/12/14/72/983121472.db2.gz WFQVEYIHUJBSJK-WQVCFCJDSA-N -1 3 406.408 3.977 20 0 HHADHM CN(CCN1CCCC1)C(=O)c1nn(-c2cc(Cl)c(Cl)cc2Cl)cc1[O-] ZINC000438898696 983142848 /nfs/dbraw/zinc/14/28/48/983142848.db2.gz XHSSTYCZJHSXKB-UHFFFAOYSA-N -1 3 417.724 3.706 20 0 HHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C1CCN([C@H](C)c2ccncc2)CC1 ZINC000438948054 983173014 /nfs/dbraw/zinc/17/30/14/983173014.db2.gz CHHQLSQHEOWIEI-OAHLLOKOSA-N -1 3 417.506 3.779 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@H]2C[C@]23CCCc2ccccc23)cc1OC ZINC000439051392 983228578 /nfs/dbraw/zinc/22/85/78/983228578.db2.gz PUROPVKNROGNEL-GCJKJVERSA-N -1 3 414.527 3.690 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@@H]2C[C@]23CCCc2ccccc23)cc1OC ZINC000439051391 983228646 /nfs/dbraw/zinc/22/86/46/983228646.db2.gz PUROPVKNROGNEL-AVRDEDQJSA-N -1 3 414.527 3.690 20 0 HHADHM O=C(Cc1cc2c(ccc3ccccc23)o1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000439056655 983231014 /nfs/dbraw/zinc/23/10/14/983231014.db2.gz JBILTOIEXKDSKV-UHFFFAOYSA-N -1 3 414.461 3.819 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1ccc2[nH]cnc2c1 ZINC000439060916 983232711 /nfs/dbraw/zinc/23/27/11/983232711.db2.gz QUNWPOQHJJTHLU-FQEVSTJZSA-N -1 3 400.438 3.768 20 0 HHADHM Cn1c2cc([O-])c(NC(=O)CCCOc3ccc(Cl)cc3Cl)cc2n(C)c1=O ZINC000461614522 983239958 /nfs/dbraw/zinc/23/99/58/983239958.db2.gz PHBIJGJWZRQIAR-UHFFFAOYSA-N -1 3 424.284 3.687 20 0 HHADHM Cn1c2cc([O-])c(NC(=O)c3ccc4nc(-c5ccccc5)oc4c3)cc2n(C)c1=O 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ZINC000442247025 984768878 /nfs/dbraw/zinc/76/88/78/984768878.db2.gz CNSQXMTYJDNMNU-UHFFFAOYSA-N -1 3 402.850 3.901 20 0 HHADHM Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)[N-]c1ccccc1NCCC(N)=O ZINC000462103557 985074038 /nfs/dbraw/zinc/07/40/38/985074038.db2.gz PMOVSKPWWHYRAR-UHFFFAOYSA-N -1 3 403.548 3.689 20 0 HHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@@H]1CCN(c2ccccc2F)C1 ZINC000462123937 985093637 /nfs/dbraw/zinc/09/36/37/985093637.db2.gz ZUEVKBUAQSPVGT-AWEZNQCLSA-N -1 3 406.454 3.824 20 0 HHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccc(Br)s1 ZINC000442723203 985186264 /nfs/dbraw/zinc/18/62/64/985186264.db2.gz RNDOYQRYXUQYJI-ZCFIWIBFSA-N -1 3 400.241 3.967 20 0 HHADHM O=S(=O)([N-]Cc1ccc(Oc2ccccc2)nc1)c1cnccc1C(F)(F)F ZINC000442738523 985196092 /nfs/dbraw/zinc/19/60/92/985196092.db2.gz AASVCDDEMLRWGZ-UHFFFAOYSA-N -1 3 409.389 3.766 20 0 HHADHM O=S(=O)([N-][C@H](C[C@H]1CCOC1)c1ccccc1)c1cnccc1C(F)(F)F ZINC000442739938 985197186 /nfs/dbraw/zinc/19/71/86/985197186.db2.gz GIWPJSJACHCNCR-CZUORRHYSA-N 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ZINC000442829573 985233866 /nfs/dbraw/zinc/23/38/66/985233866.db2.gz PRWNLYPVUJPOFP-GFCCVEGCSA-N -1 3 407.513 3.889 20 0 HHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](CO)Cc2ccc(F)cc2)c1Cl ZINC000442836530 985237704 /nfs/dbraw/zinc/23/77/04/985237704.db2.gz IIMMRUPVIRPRQO-CYBMUJFWSA-N -1 3 406.306 3.570 20 0 HHADHM CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3ccoc3c2)cc1 ZINC000442853475 985246986 /nfs/dbraw/zinc/24/69/86/985246986.db2.gz ZWDCYCJGNSPRIZ-UHFFFAOYSA-N -1 3 408.501 3.775 20 0 HHADHM CCc1ccc(C(=O)N2CC[C@](C)(CNC(=O)c3ccc(CC)cc3O)C2)c([O-])c1 ZINC000442856322 985247633 /nfs/dbraw/zinc/24/76/33/985247633.db2.gz YXUWNGLVCQOHKV-XMMPIXPASA-N -1 3 410.514 3.505 20 0 HHADHM CCc1ccc(C(=O)NC[C@@]2(C)CCN(C(=O)c3ccc(CC)cc3O)C2)c([O-])c1 ZINC000442856322 985247641 /nfs/dbraw/zinc/24/76/41/985247641.db2.gz YXUWNGLVCQOHKV-XMMPIXPASA-N -1 3 410.514 3.505 20 0 HHADHM CC[C@H](NS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC000442899171 985268542 /nfs/dbraw/zinc/26/85/42/985268542.db2.gz JEDDMIJGMRXISY-HNNXBMFYSA-N -1 3 412.302 3.603 20 0 HHADHM CC[C@H](NS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)c1cccc(Cl)c1 ZINC000442899171 985268549 /nfs/dbraw/zinc/26/85/49/985268549.db2.gz JEDDMIJGMRXISY-HNNXBMFYSA-N -1 3 412.302 3.603 20 0 HHADHM O=S(=O)([N-][C@@H]1CCOc2c(F)ccc(F)c21)c1cc(Br)ccc1F ZINC000462302621 985288342 /nfs/dbraw/zinc/28/83/42/985288342.db2.gz ZGYAUIOGBUTASL-GFCCVEGCSA-N -1 3 422.222 3.669 20 0 HHADHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2Cl)C12CCC2 ZINC000462329103 985319318 /nfs/dbraw/zinc/31/93/18/985319318.db2.gz VBMSMWQGBDLFQU-UONOGXRCSA-N -1 3 408.745 3.729 20 0 HHADHM Cc1ccc([C@H]2C[C@@H](C)CCN2S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)o1 ZINC000443017977 985339076 /nfs/dbraw/zinc/33/90/76/985339076.db2.gz ATYIBOCHUDXADL-MEDUHNTESA-N -1 3 421.910 3.583 20 0 HHADHM Cc1ccc([C@H]2C[C@@H](C)CCN2S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)o1 ZINC000443017977 985339081 /nfs/dbraw/zinc/33/90/81/985339081.db2.gz ATYIBOCHUDXADL-MEDUHNTESA-N -1 3 421.910 3.583 20 0 HHADHM CCOc1ccccc1C[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC ZINC000443020097 985339527 /nfs/dbraw/zinc/33/95/27/985339527.db2.gz GIVQEBUPQDGTLG-UHFFFAOYSA-N -1 3 405.497 3.565 20 0 HHADHM COc1cc(OC)cc(S(=O)(=O)[N-]c2cccc3c2CN([C@@H](C)C(C)C)C3)c1 ZINC000462351738 985340460 /nfs/dbraw/zinc/34/04/60/985340460.db2.gz JJWUICFASKDVHC-HNNXBMFYSA-N -1 3 404.532 3.865 20 0 HHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cn1)c1ncc(-c2ccccc2)o1 ZINC000462364459 985351923 /nfs/dbraw/zinc/35/19/23/985351923.db2.gz WAPGLDWFPLGTGO-LLVKDONJSA-N -1 3 408.277 3.539 20 0 HHADHM COC(=O)c1nscc1S(=O)(=O)[N-]Cc1ccccc1Oc1ccc(C)cc1 ZINC000443076302 985363513 /nfs/dbraw/zinc/36/35/13/985363513.db2.gz CSIOKKZYVPLFKF-UHFFFAOYSA-N -1 3 418.496 3.509 20 0 HHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000443091590 985370637 /nfs/dbraw/zinc/37/06/37/985370637.db2.gz FEOZOSRTJPWBCM-SNVBAGLBSA-N -1 3 405.369 3.671 20 0 HHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)c1ccccc1OC(F)F ZINC000443091772 985371417 /nfs/dbraw/zinc/37/14/17/985371417.db2.gz IUVWDDAHXUBMGW-SNVBAGLBSA-N -1 3 419.833 3.768 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)c1cccs1 ZINC000443127495 985393399 /nfs/dbraw/zinc/39/33/99/985393399.db2.gz ILNJMQIDJIQSQN-INIZCTEOSA-N -1 3 419.499 3.936 20 0 HHADHM O=S(=O)([N-]Cc1ccc(F)cc1C(F)(F)F)c1cnn(-c2ccccc2F)c1 ZINC000462429899 985400756 /nfs/dbraw/zinc/40/07/56/985400756.db2.gz SRTAJQOKSQYURD-UHFFFAOYSA-N -1 3 417.359 3.648 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)Nc2cc(C)c(O)c(C)c2C)cc1OC ZINC000443155569 985414186 /nfs/dbraw/zinc/41/41/86/985414186.db2.gz QJGCJYCUNISLEO-UHFFFAOYSA-N -1 3 407.492 3.732 20 0 HHADHM O=S(=O)([N-]Cc1ccc(COCC(F)(F)F)cc1)c1cc(F)c(F)c(F)c1 ZINC000462450491 985414375 /nfs/dbraw/zinc/41/43/75/985414375.db2.gz YSYZANLNEADSFO-UHFFFAOYSA-N -1 3 413.339 3.661 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCCn2cnc3ccccc32)s1 ZINC000462473402 985430709 /nfs/dbraw/zinc/43/07/09/985430709.db2.gz HQPUDZXBBWUWMC-UHFFFAOYSA-N -1 3 414.350 3.537 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCCN(C)c2ccccc2)s1 ZINC000462482353 985438107 /nfs/dbraw/zinc/43/81/07/985438107.db2.gz WRRPNWVQBQLYNJ-UHFFFAOYSA-N -1 3 403.367 3.624 20 0 HHADHM COCc1nc(C[N-]S(=O)(=O)c2sc(C)nc2C)c(-c2ccccc2)s1 ZINC000443218109 985447760 /nfs/dbraw/zinc/44/77/60/985447760.db2.gz FIXQLZCNBQPQLN-UHFFFAOYSA-N -1 3 409.558 3.508 20 0 HHADHM O=S(=O)(Cc1c(Cl)cccc1Cl)[N-][C@H](Cc1ccccc1)[C@H](O)C(F)F ZINC000443221019 985449370 /nfs/dbraw/zinc/44/93/70/985449370.db2.gz WFRDPTIJFWADJP-CVEARBPZSA-N -1 3 424.296 3.650 20 0 HHADHM O=S(=O)([N-][C@@H](Cc1ccccc1)[C@@H](O)C(F)F)c1cccc(Cl)c1Cl ZINC000443230995 985454344 /nfs/dbraw/zinc/45/43/44/985454344.db2.gz HIEVDAZFDJHUNO-SWLSCSKDSA-N -1 3 410.269 3.509 20 0 HHADHM O=S(=O)([N-]CCCc1ccc(O)cc1)c1cc(Br)ccc1Cl ZINC000443274055 985465475 /nfs/dbraw/zinc/46/54/75/985465475.db2.gz MYAJKOHPXDDRFM-UHFFFAOYSA-N -1 3 404.713 3.719 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]CC2(c3ccc(F)cc3)CC2)s1 ZINC000462523937 985474244 /nfs/dbraw/zinc/47/42/44/985474244.db2.gz JRLVMMXSZYFQRU-UHFFFAOYSA-N -1 3 404.326 3.968 20 0 HHADHM CC[C@@H](C)[C@@](C)(O)C[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000443298974 985480108 /nfs/dbraw/zinc/48/01/08/985480108.db2.gz IHEPAEMNWMDNFI-RNCFNFMXSA-N -1 3 418.275 3.543 20 0 HHADHM O=S(=O)([N-]Cc1ccc(OCc2ccccn2)cc1)c1cc(F)c(F)c(F)c1 ZINC000462532528 985480785 /nfs/dbraw/zinc/48/07/85/985480785.db2.gz YHLWKBSDQITWNC-UHFFFAOYSA-N -1 3 408.401 3.556 20 0 HHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)c1cccc(N2CCCC2)c1 ZINC000443355516 985517912 /nfs/dbraw/zinc/51/79/12/985517912.db2.gz HJLHJUKITXLOGD-CQSZACIVSA-N -1 3 422.934 3.766 20 0 HHADHM C[C@@H](C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)Oc1cccc(Br)c1 ZINC000462573679 985521182 /nfs/dbraw/zinc/52/11/82/985521182.db2.gz DOHNZWCRQJEWQU-VIFPVBQESA-N -1 3 424.238 3.612 20 0 HHADHM CCOc1ccccc1[C@@H](CC(C)C)[N-]S(=O)(=O)c1ccsc1C(=O)OC ZINC000443365894 985526391 /nfs/dbraw/zinc/52/63/91/985526391.db2.gz DUNQICGJHFQGKC-OAHLLOKOSA-N -1 3 411.545 3.999 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CC3(O)CCCCC3)cc2)cc1 ZINC000467917813 985550758 /nfs/dbraw/zinc/55/07/58/985550758.db2.gz ANIOGIVVPZKYEM-UHFFFAOYSA-N -1 3 402.516 3.820 20 0 HHADHM C[C@@H](CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])c1ccc(C(F)(F)F)cc1 ZINC000443404803 985558825 /nfs/dbraw/zinc/55/88/25/985558825.db2.gz URYVMNREFOYOSN-KBXCAEBGSA-N -1 3 420.431 3.936 20 0 HHADHM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3cc4c(cc3F)NC(=O)CC4)c2)n1 ZINC000443413135 985569121 /nfs/dbraw/zinc/56/91/21/985569121.db2.gz LOJJKYPPVARXEK-UHFFFAOYSA-N -1 3 417.487 3.943 20 0 HHADHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2sc(C)cc2Br)C12CCCC2 ZINC000462653166 985592685 /nfs/dbraw/zinc/59/26/85/985592685.db2.gz AQBZUPFLEIWHQP-OLZOCXBDSA-N -1 3 408.383 3.835 20 0 HHADHM COc1cccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3ccc(SC)cc3)n2)c1 ZINC000462653287 985593908 /nfs/dbraw/zinc/59/39/08/985593908.db2.gz BCVQBSAAALYTHV-GFCCVEGCSA-N -1 3 405.501 3.507 20 0 HHADHM COc1cccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3ccc(C)c(Cl)c3)n2)c1 ZINC000462659295 985598405 /nfs/dbraw/zinc/59/84/05/985598405.db2.gz KXWBUWQATFFFFT-GFCCVEGCSA-N -1 3 407.879 3.747 20 0 HHADHM O=S(=O)([N-][C@@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(Br)s1 ZINC000462676459 985614736 /nfs/dbraw/zinc/61/47/36/985614736.db2.gz JZTUOMFPDDLHNM-CHWSQXEVSA-N -1 3 402.335 3.709 20 0 HHADHM COc1cccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3cc(Cl)ccc3C)n2)c1 ZINC000462681498 985619927 /nfs/dbraw/zinc/61/99/27/985619927.db2.gz MVEFKASRLNNPFT-LBPRGKRZSA-N -1 3 407.879 3.747 20 0 HHADHM CCC(=O)NCc1cc(S(=O)(=O)[N-]c2ccc(O[C@H](C)CC)cc2)ccc1OC ZINC000443453664 985622817 /nfs/dbraw/zinc/62/28/17/985622817.db2.gz ILCQHZFLODUDOK-OAHLLOKOSA-N -1 3 420.531 3.700 20 0 HHADHM Oc1[n-]c(SCc2ncc(-c3ccccc3Br)o2)nc2nncc1-2 ZINC000462696481 985637151 /nfs/dbraw/zinc/63/71/51/985637151.db2.gz LIDZBSWZHIAPBD-UHFFFAOYSA-N -1 3 404.249 3.768 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@H](C)Oc2ccc(F)cc2)s1 ZINC000462708868 985652999 /nfs/dbraw/zinc/65/29/99/985652999.db2.gz IIFIWVKBJJKSFF-VIFPVBQESA-N -1 3 408.314 3.704 20 0 HHADHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C1CCCCC1 ZINC000462711328 985656574 /nfs/dbraw/zinc/65/65/74/985656574.db2.gz ZNGYHLBZHMBPHX-CQSZACIVSA-N -1 3 411.417 3.635 20 0 HHADHM O=S(=O)(NCc1ccc([O-])c(Br)c1)c1ccc(C(F)(F)F)cc1 ZINC000443491005 985665519 /nfs/dbraw/zinc/66/55/19/985665519.db2.gz MJAKHVHBKINNQV-UHFFFAOYSA-N -1 3 410.211 3.652 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000443493364 985666909 /nfs/dbraw/zinc/66/69/09/985666909.db2.gz RIORUXDRLZNVDO-JZXOWHBKSA-N -1 3 413.520 3.552 20 0 HHADHM CC(C)(CO)[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1ccccc1 ZINC000443492797 985667140 /nfs/dbraw/zinc/66/71/40/985667140.db2.gz RFSQOMGMFIFRIY-MRXNPFEDSA-N -1 3 419.440 3.925 20 0 HHADHM CC(C)(CO)[C@@H](C[N-]S(=O)(=O)c1ccc(Br)s1)c1ccccc1 ZINC000443494821 985668342 /nfs/dbraw/zinc/66/83/42/985668342.db2.gz DLKFUPDJZGRISJ-ZDUSSCGKSA-N -1 3 418.378 3.591 20 0 HHADHM C[C@@H](Nc1ccccc1[N-]S(=O)(=O)c1ccc(-n2cnnn2)cc1)c1ccccc1 ZINC000443530028 985701596 /nfs/dbraw/zinc/70/15/96/985701596.db2.gz MUHRQZBEGNQTAW-MRXNPFEDSA-N -1 3 420.498 3.636 20 0 HHADHM CC(C)c1ccc(CC2CCN(C(=O)c3cncc([N-]S(C)(=O)=O)c3)CC2)cc1 ZINC000462809229 985739783 /nfs/dbraw/zinc/73/97/83/985739783.db2.gz XMHJEZMUBPGENE-UHFFFAOYSA-N -1 3 415.559 3.671 20 0 HHADHM CC(C)(Cc1ccc(C(F)(F)F)cc1)NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000443565995 985739903 /nfs/dbraw/zinc/73/99/03/985739903.db2.gz OWTPDGVVCMWCOL-UHFFFAOYSA-N -1 3 409.334 3.663 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC4(CCC4)C3)ccc2C)cc1 ZINC000468260185 985961971 /nfs/dbraw/zinc/96/19/71/985961971.db2.gz GQHNMEPQVGYWGK-UHFFFAOYSA-N -1 3 414.527 3.821 20 0 HHADHM CCCN(CC(=O)Nc1ccccc1OC)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000468383190 986083396 /nfs/dbraw/zinc/08/33/96/986083396.db2.gz MQCKLNNUZUUWOO-UHFFFAOYSA-N -1 3 402.466 3.740 20 0 HHADHM CCc1[nH]c(-c2ccc(Cl)cc2)nc1C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000443902333 986100778 /nfs/dbraw/zinc/10/07/78/986100778.db2.gz AVYFBISPDMGMED-UHFFFAOYSA-N -1 3 418.906 3.916 20 0 HHADHM O=c1[n-]c(SCCOCC(F)(F)C(F)F)nc2c1cnn2-c1ccccc1 ZINC000468446055 986142316 /nfs/dbraw/zinc/14/23/16/986142316.db2.gz DAHYGYWQGVKBBZ-UHFFFAOYSA-N -1 3 402.373 3.530 20 0 HHADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nc(-c2ncsc2Cl)no1 ZINC000463180312 986153022 /nfs/dbraw/zinc/15/30/22/986153022.db2.gz KSSLKQSIDJLRFI-ZETCQYMHSA-N -1 3 405.288 3.539 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC(CO)(Cc4ccccc4)CC3)nc2)n1 ZINC000443960060 986167398 /nfs/dbraw/zinc/16/73/98/986167398.db2.gz JBTXXABFMRZKKL-UHFFFAOYSA-N -1 3 404.514 3.628 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H](C)C(F)(F)F)ccc2C)cc1 ZINC000463243767 986211173 /nfs/dbraw/zinc/21/11/73/986211173.db2.gz SRPKPOOULLMJAW-GFCCVEGCSA-N -1 3 416.421 3.941 20 0 HHADHM Cc1c(CN2CCSCC2)cccc1[N-]S(=O)(=O)c1ccc2ncsc2c1 ZINC000444027720 986222939 /nfs/dbraw/zinc/22/29/39/986222939.db2.gz DOKCXLMHMYZBJD-UHFFFAOYSA-N -1 3 419.597 3.954 20 0 HHADHM C[C@H]([N-]S(=O)(=O)c1cnc(-c2ccccc2)nc1)c1nc(C(C)(C)C)cs1 ZINC000444091126 986290159 /nfs/dbraw/zinc/29/01/59/986290159.db2.gz OEJUXCYSSRWZKQ-ZDUSSCGKSA-N -1 3 402.545 3.937 20 0 HHADHM C[C@@H]1CN(C(=O)c2ccc(NC(=O)CCCc3ccc([O-])c(F)c3)cc2)C[C@H](C)O1 ZINC000468628954 986345949 /nfs/dbraw/zinc/34/59/49/986345949.db2.gz KKXRJBHAUCIOHL-IYBDPMFKSA-N -1 3 414.477 3.742 20 0 HHADHM CC(C)Oc1ccc(S(=O)(=O)[N-]c2cccc(CN3C[C@@H](C)O[C@H](C)C3)c2)cc1 ZINC000444209645 986391942 /nfs/dbraw/zinc/39/19/42/986391942.db2.gz ZZWPOPGGLVERSE-QZTJIDSGSA-N -1 3 418.559 3.884 20 0 HHADHM COC[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F)c1ccc(F)c(F)c1 ZINC000444218158 986401498 /nfs/dbraw/zinc/40/14/98/986401498.db2.gz UWYXZGOSUJQYQQ-AWEZNQCLSA-N -1 3 413.339 3.789 20 0 HHADHM CCN(C(=O)c1c[n-]c2ccc(Br)cc2c1=O)[C@H](C)c1cccnc1 ZINC000444227652 986414213 /nfs/dbraw/zinc/41/42/13/986414213.db2.gz PPTUVUZTJKYUHG-GFCCVEGCSA-N -1 3 400.276 3.909 20 0 HHADHM CCN(C(=O)c1c[n-]c2ccc(Br)cc2c1=O)[C@@H](C)c1cccnc1 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CC(C)Oc1ccc(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c(Cl)c1 ZINC000445037423 987167319 /nfs/dbraw/zinc/16/73/19/987167319.db2.gz YZJNMJVLHMKHJC-UHFFFAOYSA-N -1 3 417.893 3.823 20 0 HHADHM CCOC(=O)c1nc(C2CCN(C(=O)N[C@H](c3ccccc3C)C(C)C)CC2)n[n-]1 ZINC000445078230 987195573 /nfs/dbraw/zinc/19/55/73/987195573.db2.gz FTAGBUUNGQKHKR-SFHVURJKSA-N -1 3 413.522 3.576 20 0 HHADHM CCOC(=O)c1nnc(C2CCN(C(=O)N[C@H](c3ccccc3C)C(C)C)CC2)[n-]1 ZINC000445078230 987195578 /nfs/dbraw/zinc/19/55/78/987195578.db2.gz FTAGBUUNGQKHKR-SFHVURJKSA-N -1 3 413.522 3.576 20 0 HHADHM Cc1cc(Br)cn2cc(CNC(=O)CCCc3ccc([O-])c(F)c3)nc12 ZINC000469566906 987236088 /nfs/dbraw/zinc/23/60/88/987236088.db2.gz KVWCSKCIJXAOOA-UHFFFAOYSA-N -1 3 420.282 3.889 20 0 HHADHM CCOC(=O)c1nc(C2CCN(C(=O)Nc3cc(Cl)ccc3SC)CC2)n[n-]1 ZINC000445236252 987296074 /nfs/dbraw/zinc/29/60/74/987296074.db2.gz DXFQFSULJCTDRR-UHFFFAOYSA-N -1 3 423.926 3.768 20 0 HHADHM CCOC(=O)c1nnc(C2CCN(C(=O)Nc3cc(Cl)ccc3SC)CC2)[n-]1 ZINC000445236252 987296083 /nfs/dbraw/zinc/29/60/83/987296083.db2.gz DXFQFSULJCTDRR-UHFFFAOYSA-N -1 3 423.926 3.768 20 0 HHADHM Cc1ccc(F)c(-c2noc(CS(=O)(=O)[N-]c3ccc(OC(C)C)cc3)n2)c1 ZINC000445452447 987521266 /nfs/dbraw/zinc/52/12/66/987521266.db2.gz CWCMJIHNNTUACF-UHFFFAOYSA-N -1 3 405.451 3.913 20 0 HHADHM CCO[C@@H](CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)C(C)C ZINC000470014562 987626339 /nfs/dbraw/zinc/62/63/39/987626339.db2.gz BYXUPZNYCCIWJE-FQEVSTJZSA-N -1 3 422.522 3.808 20 0 HHADHM CC(C)(c1noc(-c2cncc([N-]S(C)(=O)=O)c2)n1)c1cccc(Cl)c1F ZINC000445596332 987663772 /nfs/dbraw/zinc/66/37/72/987663772.db2.gz LNFBRVKXNXBYGS-UHFFFAOYSA-N -1 3 410.858 3.622 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)C[C@@H](C)COC)ccc2C)cc1 ZINC000445643158 987717258 /nfs/dbraw/zinc/71/72/58/987717258.db2.gz SWWIYPCDBFPKIA-OAHLLOKOSA-N -1 3 420.531 3.806 20 0 HHADHM COc1ccccc1C(C)(C)c1noc([C@@H](C)[N-]S(=O)(=O)c2ccc(C)cc2)n1 ZINC000445691299 987756834 /nfs/dbraw/zinc/75/68/34/987756834.db2.gz QCDQVQDFZNAYMW-OAHLLOKOSA-N -1 3 415.515 3.752 20 0 HHADHM CSc1nnc(C[N-]S(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)s1 ZINC000445696703 987762851 /nfs/dbraw/zinc/76/28/51/987762851.db2.gz JONHQVPNTZWAOS-UHFFFAOYSA-N -1 3 414.603 3.646 20 0 HHADHM O=S(=O)([N-]c1ccc(-c2nc[nH]n2)cc1F)c1ccc(F)c(C(F)(F)F)c1 ZINC000470254512 988198946 /nfs/dbraw/zinc/19/89/46/988198946.db2.gz KYIOBOSLFKVTQT-UHFFFAOYSA-N -1 3 404.320 3.570 20 0 HHADHM O=C([N-]c1nnc(-c2cc3ccccc3o2)s1)c1cn(Cc2ccccc2)nn1 ZINC000470389028 988348970 /nfs/dbraw/zinc/34/89/70/988348970.db2.gz SLABYZOSPIPVAE-UHFFFAOYSA-N -1 3 402.439 3.843 20 0 HHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]c1cccn(CC(F)(F)F)c1=O ZINC000470443849 988418926 /nfs/dbraw/zinc/41/89/26/988418926.db2.gz AROISAKPAMHWRH-UHFFFAOYSA-N -1 3 420.796 3.919 20 0 HHADHM CC(C)Cn1cc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)cn1 ZINC000464325673 988460323 /nfs/dbraw/zinc/46/03/23/988460323.db2.gz UGDBFFCMZDVFKJ-UHFFFAOYSA-N -1 3 416.478 3.731 20 0 HHADHM CN(C)[C@H](CNC(=O)c1cc(=O)c2ccccc2[n-]1)c1cccc(C(F)(F)F)c1 ZINC000470596676 988612112 /nfs/dbraw/zinc/61/21/12/988612112.db2.gz ARJWEPJCHWITSO-GOSISDBHSA-N -1 3 403.404 3.580 20 0 HHADHM CC(=O)Nc1ccc(CC[N-]S(=O)(=O)c2oc3ccc(Cl)cc3c2C)cc1 ZINC000470616985 988633244 /nfs/dbraw/zinc/63/32/44/988633244.db2.gz FWHBXHWZRKFZIU-UHFFFAOYSA-N -1 3 406.891 3.874 20 0 HHADHM Cc1nc(C)c(CC(=O)NCc2ccc(OC(C)(C)C)cc2C(F)(F)F)c(=O)[n-]1 ZINC000464518596 988694621 /nfs/dbraw/zinc/69/46/21/988694621.db2.gz LIXFZTFGCXPMLN-UHFFFAOYSA-N -1 3 411.424 3.854 20 0 HHADHM O=C(Nc1cccc(OCCF)c1)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000470712436 988734385 /nfs/dbraw/zinc/73/43/85/988734385.db2.gz YNMDWEJDEOAAAQ-UHFFFAOYSA-N -1 3 421.425 3.555 20 0 HHADHM CC[C@H](CN(C)C(=O)Cc1c(C)nc(C)[n-]c1=O)Oc1ccc(Cl)c(Cl)c1 ZINC000470727829 988757239 /nfs/dbraw/zinc/75/72/39/988757239.db2.gz QSZZDEOZKRFPTH-CYBMUJFWSA-N -1 3 412.317 3.964 20 0 HHADHM CCSCC[C@@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000464713971 988926619 /nfs/dbraw/zinc/92/66/19/988926619.db2.gz RSYTWLBFZUIFLW-CQSZACIVSA-N -1 3 410.536 3.888 20 0 HHADHM CC[C@@H]1CN([C@@H]2CC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)CC[C@H]1c1ccccc1 ZINC000470897641 988971017 /nfs/dbraw/zinc/97/10/17/988971017.db2.gz OOFUVBWUSMIHGA-MAODMQOUSA-N -1 3 406.482 3.532 20 0 HHADHM COC(=O)c1sc2[n-]c(CN3CC[C@H](C)C[C@@H]3c3ccco3)nc(=O)c2c1C ZINC000464857639 989111751 /nfs/dbraw/zinc/11/17/51/989111751.db2.gz OHHCEKZBBCKKDA-WCQYABFASA-N -1 3 401.488 3.646 20 0 HHADHM Cn1cc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc(Cl)c1=O ZINC000471192311 989327636 /nfs/dbraw/zinc/32/76/36/989327636.db2.gz UPURVPOVFRNAAX-UHFFFAOYSA-N -1 3 401.193 3.512 20 0 HHADHM CC(C)CC1(CNC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)CCC1 ZINC000465098012 989422716 /nfs/dbraw/zinc/42/27/16/989422716.db2.gz DNKTWNIEYBGKMK-UHFFFAOYSA-N -1 3 407.511 3.901 20 0 HHADHM CO[C@H](CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C)C(C)(C)C ZINC000465193541 989532927 /nfs/dbraw/zinc/53/29/27/989532927.db2.gz DKPZZVGEZOQDDN-HXUWFJFHSA-N -1 3 418.559 3.895 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cc(C(C)C)nn3C)cc2)cc1 ZINC000471585683 989789833 /nfs/dbraw/zinc/78/98/33/989789833.db2.gz NGFSFOCLJUJNDW-UHFFFAOYSA-N -1 3 412.515 3.905 20 0 HHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](c1nccn1C)c1cccc(F)c1 ZINC000471789926 989976872 /nfs/dbraw/zinc/97/68/72/989976872.db2.gz DWTWORYWZMXPNC-SFHVURJKSA-N -1 3 417.437 3.821 20 0 HHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](c1nccn1C)c1ccccc1F ZINC000471794266 989979614 /nfs/dbraw/zinc/97/96/14/989979614.db2.gz SPUOOZYPDONHBU-SFHVURJKSA-N -1 3 417.437 3.821 20 0 HHADHM C[C@@H]([N-]S(=O)(=O)c1ccccc1OC(F)(F)F)c1noc(-c2ccccc2)n1 ZINC000471869860 990041449 /nfs/dbraw/zinc/04/14/49/990041449.db2.gz ILTOIDLLIZAGTM-LLVKDONJSA-N -1 3 413.377 3.675 20 0 HHADHM CCc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3ccccc3OC(F)F)n2)cc1 ZINC000471879669 990052457 /nfs/dbraw/zinc/05/24/57/990052457.db2.gz FSRCMTWCBCUSDZ-GFCCVEGCSA-N -1 3 423.441 3.940 20 0 HHADHM Cc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3cccc4ncccc43)n2)cc1F ZINC000471883035 990056231 /nfs/dbraw/zinc/05/62/31/990056231.db2.gz IVLGSDMBLADNMM-CYBMUJFWSA-N -1 3 412.446 3.772 20 0 HHADHM CCC(CC)CS(=O)(=O)[N-][C@@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000471887785 990061418 /nfs/dbraw/zinc/06/14/18/990061418.db2.gz RJTIXJVUKYLQEO-NSHDSACASA-N -1 3 416.341 3.916 20 0 HHADHM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1ccc(OCC(C)(C)O)cc1 ZINC000471939471 990103809 /nfs/dbraw/zinc/10/38/09/990103809.db2.gz JWNZYHHSZUAPRN-UHFFFAOYSA-N -1 3 414.321 3.708 20 0 HHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CC[C@@H](C)[C@H]1c1cccc(F)c1 ZINC000472063299 990226343 /nfs/dbraw/zinc/22/63/43/990226343.db2.gz MXSQKEKCAFCGEV-SZNDQCEHSA-N -1 3 406.461 3.844 20 0 HHADHM CC[C@@]1(C)C[C@H]1C(=O)NCc1cccc([N-]S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000466259349 991504627 /nfs/dbraw/zinc/50/46/27/991504627.db2.gz MPSIDKQLFVIHMY-FPOVZHCZSA-N -1 3 402.516 3.548 20 0 HHADHM Cc1nc(C)c(CCC(=O)Nc2cc(F)c(Br)cc2Cl)c(=O)[n-]1 ZINC000466445681 991735153 /nfs/dbraw/zinc/73/51/53/991735153.db2.gz JVMVTHHJCDLAGP-UHFFFAOYSA-N -1 3 402.651 3.925 20 0 HHADHM CO[C@@H](C[N-]S(=O)(=O)c1csc(-c2ccc(Br)cc2)n1)C(C)C ZINC000466889038 992208659 /nfs/dbraw/zinc/20/86/59/992208659.db2.gz RNGNHIKALXSUCP-ZDUSSCGKSA-N -1 3 419.366 3.522 20 0 HHADHM CCS[C@@H]1CC[C@H](N(C)C(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)C1 ZINC000466980552 992290775 /nfs/dbraw/zinc/29/07/75/992290775.db2.gz HTLMCQOXTGBCJA-LSDHHAIUSA-N -1 3 415.581 3.595 20 0 HHADHM O=C(NCc1ccc([O-])c(F)c1)C(=O)Nc1cc(Cl)ccc1OCC1CCC1 ZINC000467215587 992539784 /nfs/dbraw/zinc/53/97/84/992539784.db2.gz HLNKPBFDLLOGKR-UHFFFAOYSA-N -1 3 406.841 3.619 20 0 HHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)CCCC1CCOCC1 ZINC000467253012 992577411 /nfs/dbraw/zinc/57/74/11/992577411.db2.gz GYOLTLXEPSXLGF-UHFFFAOYSA-N -1 3 408.442 3.612 20 0 HHADHM O=C1NCCc2ccc(S(=O)(=O)[N-]c3ccc4nc(C5CCCCC5)[nH]c4c3)cc21 ZINC000467422803 992723468 /nfs/dbraw/zinc/72/34/68/992723468.db2.gz HFWQLLGKJHYZJH-UHFFFAOYSA-N -1 3 424.526 3.697 20 0 HHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)N(C)CC(C)(C)O)ccc2C)c(C)c1 ZINC000467683823 992941078 /nfs/dbraw/zinc/94/10/78/992941078.db2.gz DEYTYSVPWXSLAO-UHFFFAOYSA-N -1 3 418.559 3.564 20 0 HHADHM O=S(=O)([N-][C@@H]1CCCC[C@@H]1n1cccn1)c1cc(Br)ccc1Cl ZINC000467782363 993020095 /nfs/dbraw/zinc/02/00/95/993020095.db2.gz CUWHJYQDCMWFGK-KGLIPLIRSA-N -1 3 418.744 3.761 20 0 HHADHM CC[C@@H]([N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)C1CCOCC1 ZINC000467793038 993028254 /nfs/dbraw/zinc/02/82/54/993028254.db2.gz OTNRHGUXGDXARP-OAHLLOKOSA-N -1 3 400.953 3.947 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)N3CCSC[C@H]3c3nccs3)cc2)cc(=O)[n-]1 ZINC000472132333 993184580 /nfs/dbraw/zinc/18/45/80/993184580.db2.gz KDLYOLZIIDGIFC-INIZCTEOSA-N -1 3 413.528 3.936 20 0 HHADHM COC(=O)c1cc(-c2ccccc2CNC(=O)c2cc([O-])c3ccccc3c2)[nH]n1 ZINC000472509711 993505439 /nfs/dbraw/zinc/50/54/39/993505439.db2.gz YSRSJVYPDAVPEC-UHFFFAOYSA-N -1 3 401.422 3.652 20 0 HHADHM Cc1ncsc1C[N-]S(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000472591135 993551036 /nfs/dbraw/zinc/55/10/36/993551036.db2.gz WIJLNGSHUVBUPY-UHFFFAOYSA-N -1 3 416.149 3.999 20 0 HHADHM CC(C)OC(=O)CC[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000480728388 993596430 /nfs/dbraw/zinc/59/64/30/993596430.db2.gz MCKJPDQOWJIQEA-SNVBAGLBSA-N -1 3 401.834 3.757 20 0 HHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CCc2nc(-c3ccccc3)n[nH]2)c1Cl ZINC000480730114 993596941 /nfs/dbraw/zinc/59/69/41/993596941.db2.gz OVDWWZFBTCDSDX-UHFFFAOYSA-N -1 3 411.314 3.608 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC(O)(Cc4cccc(C)c4)CC3)nc2)n1 ZINC000480837905 993712206 /nfs/dbraw/zinc/71/22/06/993712206.db2.gz LXJBPRNARKRTBV-UHFFFAOYSA-N -1 3 404.514 3.689 20 0 HHADHM C[C@H]([N-]S(=O)(=O)CC1CCCC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000480837576 993712561 /nfs/dbraw/zinc/71/25/61/993712561.db2.gz KVTDIXVNDCPDGA-NSHDSACASA-N -1 3 414.325 3.670 20 0 HHADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)Nc1ccccc1 ZINC000480921370 993774310 /nfs/dbraw/zinc/77/43/10/993774310.db2.gz OFASOJHELJZSPY-JTQLQIEISA-N -1 3 406.813 3.664 20 0 HHADHM Cn1ccc2cccc(NC(=O)c3cc(S(=O)(=O)[N-]c4ccccc4F)c[nH]3)c21 ZINC000472934872 993864548 /nfs/dbraw/zinc/86/45/48/993864548.db2.gz ZOTKWXPPXIKXFC-UHFFFAOYSA-N -1 3 412.446 3.699 20 0 HHADHM Cc1ccc(C)c(-n2cnc3cc(C(=O)NCc4nc(C(F)(F)F)n[n-]4)ccc32)c1 ZINC000473014945 993937097 /nfs/dbraw/zinc/93/70/97/993937097.db2.gz MDIIXFFBUIEAFV-UHFFFAOYSA-N -1 3 414.391 3.709 20 0 HHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N(Cc1c(F)cccc1F)C1CC1 ZINC000481145539 993979464 /nfs/dbraw/zinc/97/94/64/993979464.db2.gz TXBDXGOIQWOTIK-UHFFFAOYSA-N -1 3 410.424 3.565 20 0 HHADHM O=C(NCc1ncccc1[O-])C(=O)Nc1ccc(Sc2ccccc2)c(Cl)c1 ZINC000473059696 993980170 /nfs/dbraw/zinc/98/01/70/993980170.db2.gz NEZYXLLJBBZXDT-UHFFFAOYSA-N -1 3 413.886 3.847 20 0 HHADHM COc1ccc(C(=O)NCc2ccc([O-])c(Br)c2)c(OCC2CC2)c1 ZINC000473076561 993993900 /nfs/dbraw/zinc/99/39/00/993993900.db2.gz JGVHLVFRTCWIFN-UHFFFAOYSA-N -1 3 406.276 3.882 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1ccc(COCc2ccccc2)cc1 ZINC000481230849 994061822 /nfs/dbraw/zinc/06/18/22/994061822.db2.gz JJBSGNKZMKQZPA-UHFFFAOYSA-N -1 3 405.380 3.862 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCC3(C(F)F)CC3)c2)cc1 ZINC000473284167 994132946 /nfs/dbraw/zinc/13/29/46/994132946.db2.gz QFJPEESRLLUHCH-UHFFFAOYSA-N -1 3 424.469 3.580 20 0 HHADHM Cc1nc([C@@H]2CCCOC2)sc1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000481451635 994288204 /nfs/dbraw/zinc/28/82/04/994288204.db2.gz JAQRTTHUXMJJJZ-GFCCVEGCSA-N -1 3 411.321 3.744 20 0 HHADHM CCc1cc(O)ccc1NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000481550085 994382052 /nfs/dbraw/zinc/38/20/52/994382052.db2.gz UVGAYAISKRYKNG-UHFFFAOYSA-N -1 3 417.314 3.569 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)N3CCC[C@@]3(CO)Cc3ccccc3)cc2)cc(=O)[n-]1 ZINC000473765519 994682517 /nfs/dbraw/zinc/68/25/17/994682517.db2.gz LUUJQLNDKDITCR-DEOSSOPVSA-N -1 3 418.497 3.759 20 0 HHADHM COc1ccc(Br)cc1S(=O)(=O)[N-]c1c2c(ccc1Cl)OCC2 ZINC000481877013 994741958 /nfs/dbraw/zinc/74/19/58/994741958.db2.gz VXMXXRBESDQXRD-UHFFFAOYSA-N -1 3 418.696 3.847 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1cc(-c2cccs2)n(-c2ccccc2)n1 ZINC000481894001 994763894 /nfs/dbraw/zinc/76/38/94/994763894.db2.gz NYOTZEORPAUWKU-UHFFFAOYSA-N -1 3 418.404 3.668 20 0 HHADHM CCOC(=O)c1sc([C@@H](C)[N-]S(=O)(=O)c2cc(C)c(Cl)s2)nc1C ZINC000473856180 994793839 /nfs/dbraw/zinc/79/38/39/994793839.db2.gz CRHNBBVHCOKDAA-SECBINFHSA-N -1 3 408.954 3.691 20 0 HHADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2nc(-c3cccc(F)c3)no2)sc1Cl ZINC000473864182 994802360 /nfs/dbraw/zinc/80/23/60/994802360.db2.gz JMUFOLBUXYJIAC-VIFPVBQESA-N -1 3 401.872 3.939 20 0 HHADHM Cc1cc(Br)cc2cc(C(=O)NCc3nc(C(F)(F)F)n[n-]3)oc21 ZINC000481932696 994804061 /nfs/dbraw/zinc/80/40/61/994804061.db2.gz DPQVPBDMRANDBP-UHFFFAOYSA-N -1 3 403.158 3.571 20 0 HHADHM O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000473894978 994850339 /nfs/dbraw/zinc/85/03/39/994850339.db2.gz NHWVKUGRVIKHIH-UHFFFAOYSA-N -1 3 408.849 3.670 20 0 HHADHM O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000473894978 994850348 /nfs/dbraw/zinc/85/03/48/994850348.db2.gz NHWVKUGRVIKHIH-UHFFFAOYSA-N -1 3 408.849 3.670 20 0 HHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)F)cc2)cc1OCC ZINC000481974691 994867983 /nfs/dbraw/zinc/86/79/83/994867983.db2.gz PQWWJONCSBNOIE-UHFFFAOYSA-N -1 3 401.431 3.929 20 0 HHADHM COc1ccc(C2(C[N-]S(=O)(=O)c3cc(C)c(Cl)s3)CCOCC2)cc1 ZINC000473908299 994870862 /nfs/dbraw/zinc/87/08/62/994870862.db2.gz FDNAFGSKXPCRSY-UHFFFAOYSA-N -1 3 415.964 3.745 20 0 HHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N[C@H](CCc1ccccc1)C(F)(F)F ZINC000482018641 994928625 /nfs/dbraw/zinc/92/86/25/994928625.db2.gz LLPXYWZWLDZUQK-MRXNPFEDSA-N -1 3 418.419 3.845 20 0 HHADHM Cc1cc(S(=O)(=O)[N-][C@@H](CCO)c2ccccc2Br)sc1Cl ZINC000473955120 994933966 /nfs/dbraw/zinc/93/39/66/994933966.db2.gz ZTARMNRFYIMETL-LBPRGKRZSA-N -1 3 424.769 3.874 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NC[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000482217142 995201468 /nfs/dbraw/zinc/20/14/68/995201468.db2.gz SXGLFOVQPFOKGO-RDJZCZTQSA-N -1 3 422.451 3.558 20 0 HHADHM Cc1cc(SCC(=O)NCc2nc(C(F)(F)F)n[n-]2)c(C)cc1Br ZINC000482236319 995219720 /nfs/dbraw/zinc/21/97/20/995219720.db2.gz HZJDWNBCHTZCDV-UHFFFAOYSA-N -1 3 423.258 3.611 20 0 HHADHM CCCOc1ccc(-c2nc(C(=O)NCc3nc(C(F)(F)F)n[n-]3)cs2)cc1 ZINC000482241769 995223917 /nfs/dbraw/zinc/22/39/17/995223917.db2.gz JFIZZKLIRUVVRX-UHFFFAOYSA-N -1 3 411.409 3.666 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)NC[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000482303701 995282921 /nfs/dbraw/zinc/28/29/21/995282921.db2.gz ZBHAMBXGDRCOQO-AWEZNQCLSA-N -1 3 422.298 3.620 20 0 HHADHM CCOC(=O)c1ccc(NC(=O)c2cnn(-c3ccc(OC)cc3)c2CC)c([O-])c1 ZINC000474380682 995358225 /nfs/dbraw/zinc/35/82/25/995358225.db2.gz TVVBDRSRUHCVTA-UHFFFAOYSA-N -1 3 409.442 3.578 20 0 HHADHM COc1c(C[N-]S(=O)(=O)c2ccc(F)cc2Br)oc2ccccc21 ZINC000474381517 995359251 /nfs/dbraw/zinc/35/92/51/995359251.db2.gz YCOHLDLGYRXSKA-UHFFFAOYSA-N -1 3 414.252 3.822 20 0 HHADHM O=S(=O)([N-]c1ccc2[nH]nnc2c1)c1ccc(OCC(F)F)c2ccccc21 ZINC000474417834 995382482 /nfs/dbraw/zinc/38/24/82/995382482.db2.gz YQOIGXRVULBYNM-UHFFFAOYSA-N -1 3 404.398 3.556 20 0 HHADHM O=S(=O)([N-]c1ccc2n[nH]nc2c1)c1ccc(OCC(F)F)c2ccccc21 ZINC000474417834 995382489 /nfs/dbraw/zinc/38/24/89/995382489.db2.gz YQOIGXRVULBYNM-UHFFFAOYSA-N -1 3 404.398 3.556 20 0 HHADHM O=C(NCc1sccc1Br)NCc1ccc([O-])c(Br)c1 ZINC000482470466 995474591 /nfs/dbraw/zinc/47/45/91/995474591.db2.gz NAXYLXFZIRKPFK-UHFFFAOYSA-N -1 3 420.126 3.978 20 0 HHADHM CC1(c2cccc(Cl)c2)CCN(C(=O)NCc2nc(C(F)(F)F)n[n-]2)CC1 ZINC000474661687 995607912 /nfs/dbraw/zinc/60/79/12/995607912.db2.gz OMNVOOHEXVFTRI-UHFFFAOYSA-N -1 3 401.820 3.740 20 0 HHADHM C[C@@H](NC(=O)NCc1ccc([O-])c(Br)c1)c1cccc(-n2cccn2)c1 ZINC000482618426 995614555 /nfs/dbraw/zinc/61/45/55/995614555.db2.gz ZRHOWDBAVVBINM-CYBMUJFWSA-N -1 3 415.291 3.901 20 0 HHADHM C[C@@H]1CCC[C@H](CNC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)[C@H]1C ZINC000482709427 995698450 /nfs/dbraw/zinc/69/84/50/995698450.db2.gz BVLHKRKKWLUUCR-QLFBSQMISA-N -1 3 407.511 3.757 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)NCc1cccc(COCc2ccccc2)c1 ZINC000482742301 995719046 /nfs/dbraw/zinc/71/90/46/995719046.db2.gz NJNQOYWZBKTTIP-UHFFFAOYSA-N -1 3 419.407 3.540 20 0 HHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NC(C)(C)c1cccc(Cl)c1F ZINC000474840925 995744681 /nfs/dbraw/zinc/74/46/81/995744681.db2.gz ZZJMPSJWVRTDDV-UHFFFAOYSA-N -1 3 414.868 3.939 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(F)ccc3-n3cccn3)c2)n1 ZINC000474902049 995789604 /nfs/dbraw/zinc/78/96/04/995789604.db2.gz MGSBJGTVLMQRPO-UHFFFAOYSA-N -1 3 403.417 3.989 20 0 HHADHM CCCCOc1ccc([C@@H](C)NC(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1OC ZINC000482854909 995794684 /nfs/dbraw/zinc/79/46/84/995794684.db2.gz GUCFJLDSGXAEIC-LLVKDONJSA-N -1 3 415.416 3.571 20 0 HHADHM CSc1ccc(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)cc1Cl ZINC000474917265 995800180 /nfs/dbraw/zinc/80/01/80/995800180.db2.gz IVYQCLJONLKWCY-UHFFFAOYSA-N -1 3 411.357 3.694 20 0 HHADHM COc1ccc([C@H](NC(=O)NCc2nc(C(F)(F)F)n[n-]2)c2ccc(C)cc2)cc1 ZINC000482894831 995824489 /nfs/dbraw/zinc/82/44/89/995824489.db2.gz XMMSAWIFWXTRCS-QGZVFWFLSA-N -1 3 419.407 3.729 20 0 HHADHM COCCOc1ccc(NC(=O)NCc2ccc([O-])c(Br)c2)c(C)c1 ZINC000482912695 995841937 /nfs/dbraw/zinc/84/19/37/995841937.db2.gz AFAFXLIOMXXFKP-UHFFFAOYSA-N -1 3 409.280 3.810 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2c(C)c(F)ccc2Cl)cc1OC ZINC000475011898 995868193 /nfs/dbraw/zinc/86/81/93/995868193.db2.gz DGGAMNWYLSNLTR-UHFFFAOYSA-N -1 3 400.859 3.810 20 0 HHADHM Cc1cccc(CC2(O)CCN(Cc3nc4c5ccccc5oc4c(=O)[n-]3)CC2)c1 ZINC000482945287 995872339 /nfs/dbraw/zinc/87/23/39/995872339.db2.gz HWSVFJNCGQJALE-UHFFFAOYSA-N -1 3 403.482 3.960 20 0 HHADHM COCCN(Cc1sccc1Br)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000482972641 995891491 /nfs/dbraw/zinc/89/14/91/995891491.db2.gz RMWILJQHVFSEOM-UHFFFAOYSA-N -1 3 421.316 3.641 20 0 HHADHM CCN(Cc1cccc(NC(=O)NCc2ccc([O-])c(Br)c2)c1)C(C)=O ZINC000483028153 995928941 /nfs/dbraw/zinc/92/89/41/995928941.db2.gz LUHMKSWFCLUDFM-UHFFFAOYSA-N -1 3 420.307 3.845 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CN[C@H](C)c3cncs3)c2)cc1 ZINC000483143509 996000419 /nfs/dbraw/zinc/00/04/19/996000419.db2.gz KQVUTVSDBAINRK-CQSZACIVSA-N -1 3 403.529 3.803 20 0 HHADHM COc1cc(C(=O)N(C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)cc(OC)c1[O-] ZINC000483182741 996023730 /nfs/dbraw/zinc/02/37/30/996023730.db2.gz MUWLNDQMBGNPHU-UHFFFAOYSA-N -1 3 413.449 3.643 20 0 HHADHM CCN(C)c1ccc(CN(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)cn1 ZINC000483271416 996073308 /nfs/dbraw/zinc/07/33/08/996073308.db2.gz XXBQHOCXYXLVRJ-UHFFFAOYSA-N -1 3 424.570 3.971 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1cc(F)ccc1-n1cccn1 ZINC000483330441 996102709 /nfs/dbraw/zinc/10/27/09/996102709.db2.gz KZDTYQWYXXXKCR-UHFFFAOYSA-N -1 3 405.227 3.801 20 0 HHADHM Cc1ccc(C)c([C@@H]2CCCN2C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000475546839 996213311 /nfs/dbraw/zinc/21/33/11/996213311.db2.gz GCDRZCJAALLNJI-HNNXBMFYSA-N -1 3 412.964 3.660 20 0 HHADHM CC(C)(Cc1ccc(Cl)cc1Cl)NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483563111 996252344 /nfs/dbraw/zinc/25/23/44/996252344.db2.gz QNOLLJWRWKYCPE-UHFFFAOYSA-N -1 3 410.227 3.951 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000483563084 996252532 /nfs/dbraw/zinc/25/25/32/996252532.db2.gz QLGQWOSZDFBARD-MRXNPFEDSA-N -1 3 401.392 3.681 20 0 HHADHM CO[C@H]1CCC[C@H](CC(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)C1 ZINC000475659083 996282783 /nfs/dbraw/zinc/28/27/83/996282783.db2.gz WZLDYWXDSDQWQE-AAEUAGOBSA-N -1 3 408.442 3.611 20 0 HHADHM CO[C@H]1CCC[C@@H](CC(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)C1 ZINC000475659087 996282858 /nfs/dbraw/zinc/28/28/58/996282858.db2.gz WZLDYWXDSDQWQE-YPMHNXCESA-N -1 3 408.442 3.611 20 0 HHADHM C[C@@H]1CCN(C(=O)N=c2nc(-c3ccccc3)[n-]s2)CCN1Cc1ccccc1 ZINC000475670657 996290360 /nfs/dbraw/zinc/29/03/60/996290360.db2.gz YIRVBHYWQGXJCP-QGZVFWFLSA-N -1 3 407.543 3.755 20 0 HHADHM COC(=O)c1sc2[n-]c(CN[C@@H](C)c3cc4cccc(F)c4o3)nc(=O)c2c1C ZINC000475714163 996317044 /nfs/dbraw/zinc/31/70/44/996317044.db2.gz IZDXPDSDLLSBQA-JTQLQIEISA-N -1 3 415.446 3.816 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)NCCc3nnc(-c4ccccc4)o3)cc2)cc(=O)[n-]1 ZINC000475729907 996329893 /nfs/dbraw/zinc/32/98/93/996329893.db2.gz HSGMJUQLVPBAGI-UHFFFAOYSA-N -1 3 416.441 3.572 20 0 HHADHM Cc1cc(F)c(S(=O)(=O)[N-]c2ccccc2I)cc1F ZINC000475738067 996337803 /nfs/dbraw/zinc/33/78/03/996337803.db2.gz OBSZIIBNEHUQNK-UHFFFAOYSA-N -1 3 409.195 3.679 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1ccccc1O[C@@H]1CCOC1 ZINC000483776886 996380446 /nfs/dbraw/zinc/38/04/46/996380446.db2.gz RJAHNGKSPFIMNK-CYBMUJFWSA-N -1 3 407.264 3.644 20 0 HHADHM CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(C(=O)OC)ccc2OC)c1 ZINC000475834411 996402601 /nfs/dbraw/zinc/40/26/01/996402601.db2.gz ODHZEHVQZNRIFS-UHFFFAOYSA-N -1 3 411.863 3.529 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](O)Cc3c(F)cccc3Cl)c2)n1 ZINC000476004089 996533004 /nfs/dbraw/zinc/53/30/04/996533004.db2.gz AFYOITCSWKFUOK-SFHVURJKSA-N -1 3 415.852 3.746 20 0 HHADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CCC[C@H]1c1cccc2c1OCCO2 ZINC000484109980 996575275 /nfs/dbraw/zinc/57/52/75/996575275.db2.gz HBBLFQCDAKUFCX-KRWDZBQOSA-N -1 3 412.392 3.555 20 0 HHADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc3nc(-c4ccccn4)[nH]c3c2)ccc1C ZINC000484126699 996584744 /nfs/dbraw/zinc/58/47/44/996584744.db2.gz AWFSXBKTKHDDLJ-UHFFFAOYSA-N -1 3 421.482 3.693 20 0 HHADHM O=C(Cc1ccc(F)cc1)N1CCC[C@@H](C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)C1 ZINC000476139357 996628402 /nfs/dbraw/zinc/62/84/02/996628402.db2.gz GHUZJNTVGLNTPD-CQSZACIVSA-N -1 3 424.394 3.970 20 0 HHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC000476147606 996634862 /nfs/dbraw/zinc/63/48/62/996634862.db2.gz IVEQKWOJWOGZSL-SECBINFHSA-N -1 3 400.303 3.681 20 0 HHADHM COc1ccc(C)cc1N1C[C@H](C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)CC1=O ZINC000476175514 996656247 /nfs/dbraw/zinc/65/62/47/996656247.db2.gz UYYOCYDIGAUMJZ-GFCCVEGCSA-N -1 3 408.376 3.720 20 0 HHADHM O=C(Cc1ccccc1)N1CCC[C@@H](C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)C1 ZINC000476180441 996660708 /nfs/dbraw/zinc/66/07/08/996660708.db2.gz XDSCNIMPAHCQNH-OAHLLOKOSA-N -1 3 406.404 3.831 20 0 HHADHM Cc1nc(CC2CC2)oc1C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000476298503 996739238 /nfs/dbraw/zinc/73/92/38/996739238.db2.gz HMFJZVBSOMABIZ-UHFFFAOYSA-N -1 3 417.893 3.785 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000484534553 996867135 /nfs/dbraw/zinc/86/71/35/996867135.db2.gz ZYOXTYVNSBCCCN-UHFFFAOYSA-N -1 3 418.074 3.716 20 0 HHADHM COC(=O)c1cnc(SCC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)[n-]1 ZINC000484553899 996886282 /nfs/dbraw/zinc/88/62/82/996886282.db2.gz DCKOVGYXLGXDFU-UHFFFAOYSA-N -1 3 405.495 3.789 20 0 HHADHM Cc1nc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(OCC(C)C)cc3)c2)n[nH]1 ZINC000484606584 996939481 /nfs/dbraw/zinc/93/94/81/996939481.db2.gz ONVZZDYODLTTLB-UHFFFAOYSA-N -1 3 400.504 3.924 20 0 HHADHM CCS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)C1 ZINC000484749701 997092216 /nfs/dbraw/zinc/09/22/16/997092216.db2.gz HVWBFMUMCRCKJP-RYUDHWBXSA-N -1 3 408.948 3.780 20 0 HHADHM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)N1CCC(C(F)F)CC1 ZINC000484761378 997103673 /nfs/dbraw/zinc/10/36/73/997103673.db2.gz JWWFJRDPHSJCJJ-UHFFFAOYSA-N -1 3 412.433 3.744 20 0 HHADHM O=C(c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)N1CCC(C(F)F)CC1 ZINC000484768877 997114088 /nfs/dbraw/zinc/11/40/88/997114088.db2.gz MMLLHBJSWMMUEL-UHFFFAOYSA-N -1 3 412.433 3.744 20 0 HHADHM COc1ccccc1-n1cc(S(=O)(=O)[N-]C[C@@H]2CCCC[C@H]2C(F)(F)F)cn1 ZINC000484790092 997140673 /nfs/dbraw/zinc/14/06/73/997140673.db2.gz UQSGCTJOBWYNMN-DZGCQCFKSA-N -1 3 417.453 3.528 20 0 HHADHM Cc1nc(C)c(CC(=O)N(Cc2ccccc2Br)CC(C)C)c(=O)[n-]1 ZINC000484849640 997213421 /nfs/dbraw/zinc/21/34/21/997213421.db2.gz WIHXBMXSTDFXHL-UHFFFAOYSA-N -1 3 406.324 3.789 20 0 HHADHM COCCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000485099501 997475620 /nfs/dbraw/zinc/47/56/20/997475620.db2.gz YQVVTAZOZPWHRZ-UHFFFAOYSA-N -1 3 420.712 3.929 20 0 HHADHM CC(=O)N[C@H](CC(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1ccc(C)cc1 ZINC000485100615 997478377 /nfs/dbraw/zinc/47/83/77/997478377.db2.gz BMVBHZQNBBCFFO-QGZVFWFLSA-N -1 3 403.442 3.732 20 0 HHADHM O=C(CCCNC(=O)c1ccc(F)cc1)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485125429 997510455 /nfs/dbraw/zinc/51/04/55/997510455.db2.gz CYYOZHWYXJDPMC-UHFFFAOYSA-N -1 3 407.405 3.506 20 0 HHADHM C[C@@H]1Sc2ccc(C(=O)Nc3nnc(-c4cc5ccccc5o4)[n-]3)cc2NC1=O ZINC000485129763 997514393 /nfs/dbraw/zinc/51/43/93/997514393.db2.gz BFSVJUKWPJXPJX-JTQLQIEISA-N -1 3 405.439 3.903 20 0 HHADHM C[C@@H]1Sc2ccc(C(=O)Nc3n[n-]c(-c4cc5ccccc5o4)n3)cc2NC1=O ZINC000485129763 997514401 /nfs/dbraw/zinc/51/44/01/997514401.db2.gz BFSVJUKWPJXPJX-JTQLQIEISA-N -1 3 405.439 3.903 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)NC[C@@H]3CCC[C@H](C)[C@H]3C)c2)n1 ZINC000485208428 997582787 /nfs/dbraw/zinc/58/27/87/997582787.db2.gz NNHKNSOBLDGOHU-UXLLHSPISA-N -1 3 410.518 3.539 20 0 HHADHM O=C([C@@H](Oc1ccc(F)c(Cl)c1)c1ccccc1)N1CCc2nc[n-]c(=O)c2C1 ZINC000476968802 997586585 /nfs/dbraw/zinc/58/65/85/997586585.db2.gz MQBNAKMQSFDIAP-IBGZPJMESA-N -1 3 413.836 3.680 20 0 HHADHM Cc1cc(Oc2ncccn2)ccc1NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000485375721 997802611 /nfs/dbraw/zinc/80/26/11/997802611.db2.gz SJIJLGHCDWLDIZ-UHFFFAOYSA-N -1 3 408.364 3.949 20 0 HHADHM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H]3CCCc4nccn43)ccc2C)c1 ZINC000485430636 997869126 /nfs/dbraw/zinc/86/91/26/997869126.db2.gz KUYAYQZKLFSIPW-IBGZPJMESA-N -1 3 424.526 3.817 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)NCc3nc(-c4cccc(F)c4)no3)cc2)cc(=O)[n-]1 ZINC000485531386 997988296 /nfs/dbraw/zinc/98/82/96/997988296.db2.gz NTFDZKPOTYLWSR-UHFFFAOYSA-N -1 3 420.404 3.668 20 0 HHADHM CCc1cc(=O)[n-]c(CSCC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)n1 ZINC000477349917 998038081 /nfs/dbraw/zinc/03/80/81/998038081.db2.gz LJSWKJOCCUBSJX-UHFFFAOYSA-N -1 3 400.331 3.943 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@H]3[C@@H]4CCC[C@@H]43)ccc2C)cc1 ZINC000485636952 998082389 /nfs/dbraw/zinc/08/23/89/998082389.db2.gz NXHASIUIPOVROR-RUYXUALKSA-N -1 3 400.500 3.789 20 0 HHADHM O=C(NCCc1nc2ccccc2s1)NCc1ccc([O-])c(Br)c1 ZINC000485641642 998086367 /nfs/dbraw/zinc/08/63/67/998086367.db2.gz 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422.469 3.631 20 0 HHADHM O=S(=O)([N-]Cc1cc(-c2ccccc2)on1)c1cc(C(F)(F)F)ccc1F ZINC000488671119 999566470 /nfs/dbraw/zinc/56/64/70/999566470.db2.gz LOLSWTGQMUODJL-UHFFFAOYSA-N -1 3 400.353 3.978 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC000488677371 999568643 /nfs/dbraw/zinc/56/86/43/999568643.db2.gz QYPGNYBYMHJQHQ-UHFFFAOYSA-N -1 3 413.275 3.747 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccccc1COC1CCOCC1 ZINC000488679503 999569177 /nfs/dbraw/zinc/56/91/77/999569177.db2.gz VSQSBUQEUFPLPS-UHFFFAOYSA-N -1 3 420.303 3.780 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)[C@H](c1ccccc1)N1CCCCC1=O ZINC000488681241 999570149 /nfs/dbraw/zinc/57/01/49/999570149.db2.gz CLIYEOXDZCWDMQ-IBGZPJMESA-N -1 3 417.303 3.525 20 0 HHADHM CSc1nc(C)c(CCC(=O)NCc2ccc([O-])c(Br)c2)c(C)n1 ZINC000488682804 999570978 /nfs/dbraw/zinc/57/09/78/999570978.db2.gz HDUMSKXKSVPMPL-UHFFFAOYSA-N -1 3 410.337 3.532 20 0 HHADHM CC(C)C(=O)N(C)Cc1ccc(C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)cc1 ZINC000479769917 999581981 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AAFLFOPPYBVVDW-UHFFFAOYSA-N -1 3 415.482 3.658 20 0 HHADHM COc1cccc([C@@H]2[C@@H](C(=O)Nc3cc(Cl)ccc3[O-])CC(=O)N2C2CC2)c1 ZINC000537387029 1012866536 /nfs/dbraw/zinc/86/65/36/1012866536.db2.gz XHOFOAHSZSLIRV-OXJNMPFZSA-N -1 3 400.862 3.745 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@H]2CCC[C@H]2c2ccccc2)cc1OC ZINC000524150982 1012938555 /nfs/dbraw/zinc/93/85/55/1012938555.db2.gz JUQWCMUREQJUKL-ROUUACIJSA-N -1 3 417.531 3.915 20 0 HHADHM CC[C@@H](Cc1cccc(Br)c1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000524208734 1013015330 /nfs/dbraw/zinc/01/53/30/1013015330.db2.gz MAOWFEUZSKNLCO-ZDUSSCGKSA-N -1 3 400.280 3.837 20 0 HHADHM CC[C@@H](Cc1cccc(Br)c1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000524208734 1013015340 /nfs/dbraw/zinc/01/53/40/1013015340.db2.gz MAOWFEUZSKNLCO-ZDUSSCGKSA-N -1 3 400.280 3.837 20 0 HHADHM CC[C@H](Cc1cccc(Br)c1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000524208733 1013015604 /nfs/dbraw/zinc/01/56/04/1013015604.db2.gz MAOWFEUZSKNLCO-CYBMUJFWSA-N -1 3 400.280 3.837 20 0 HHADHM CC[C@H](Cc1cccc(Br)c1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000524208733 1013015617 /nfs/dbraw/zinc/01/56/17/1013015617.db2.gz MAOWFEUZSKNLCO-CYBMUJFWSA-N -1 3 400.280 3.837 20 0 HHADHM COc1cccc(-c2noc([C@@H]([N-]S(=O)(=O)c3ccc(C)cc3)C(C)C)n2)c1 ZINC000904602594 1071822502 /nfs/dbraw/zinc/82/25/02/1071822502.db2.gz PRBKDYBMCUVSPS-SFHVURJKSA-N -1 3 401.488 3.729 20 0 HHADHM O=S(=O)([N-]C[C@H](c1ccccc1)C1CC1)c1cnc(Cl)c(Br)c1 ZINC001211981578 1071840355 /nfs/dbraw/zinc/84/03/55/1071840355.db2.gz IMQJNPQEROBIJB-CQSZACIVSA-N -1 3 415.740 3.970 20 0 HHADHM CSCC[C@H]([N-]S(=O)(=O)c1ccccc1)c1nc(Cc2ccccc2C)no1 ZINC000904646389 1071837827 /nfs/dbraw/zinc/83/78/27/1071837827.db2.gz CKJYZWSQHXXZOP-SFHVURJKSA-N -1 3 417.556 3.742 20 0 HHADHM Cc1nc(CCOC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)cs1 ZINC000785417062 1071859073 /nfs/dbraw/zinc/85/90/73/1071859073.db2.gz LJSWDXIFYKQHGJ-UHFFFAOYSA-N -1 3 420.487 3.791 20 0 HHADHM N[C@@H](CCc1cc(=O)oc2cc([O-])ccc12)c1nc(-c2ccc(F)cc2Cl)no1 ZINC001212097873 1072075573 /nfs/dbraw/zinc/07/55/73/1072075573.db2.gz NLCOWUOUAKEYQC-INIZCTEOSA-N -1 3 415.808 3.974 20 0 HHADHM Cc1cncc(COC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)c1 ZINC000785416690 1072148912 /nfs/dbraw/zinc/14/89/12/1072148912.db2.gz HSBOBCSHJLYMNJ-UHFFFAOYSA-N -1 3 400.431 3.687 20 0 HHADHM O=C(OCc1cnoc1C1CC1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000785416676 1072149872 /nfs/dbraw/zinc/14/98/72/1072149872.db2.gz HQQOZFXRTGVMNR-UHFFFAOYSA-N -1 3 416.430 3.849 20 0 HHADHM CCc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)Cc3ccc(Cl)nc3)n2)cc1 ZINC000760628601 1072199564 /nfs/dbraw/zinc/19/95/64/1072199564.db2.gz INTSYZSRQXYQRN-GFCCVEGCSA-N -1 3 406.895 3.528 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCC2(CCCC2=O)CC1 ZINC001168279569 1072225989 /nfs/dbraw/zinc/22/59/89/1072225989.db2.gz REAMAWJJFFPXTD-NRFANRHFSA-N -1 3 420.509 3.615 20 0 HHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1ccc(=O)n(Cc2ccccc2)c1 ZINC000760341867 1072264752 /nfs/dbraw/zinc/26/47/52/1072264752.db2.gz AOGVTMXPILMFSD-UHFFFAOYSA-N -1 3 412.442 3.891 20 0 HHADHM CCc1cc2c(CN3CCCN(C(=O)c4ccccc4F)CC3)cc(=O)oc2cc1[O-] ZINC000913148419 1072342324 /nfs/dbraw/zinc/34/23/24/1072342324.db2.gz UXTWKZCOXYBYAY-UHFFFAOYSA-N -1 3 424.472 3.548 20 0 HHADHM O=C(COC(=O)c1cc(-c2ccco2)[n-]n1)Nc1ccccc1C(=O)c1ccccc1 ZINC000913297165 1072363968 /nfs/dbraw/zinc/36/39/68/1072363968.db2.gz RYBIZLLHKNUIFA-UHFFFAOYSA-N -1 3 415.405 3.696 20 0 HHADHM O=C(COC(=O)c1cc(-c2ccco2)n[n-]1)Nc1ccccc1C(=O)c1ccccc1 ZINC000913297165 1072363978 /nfs/dbraw/zinc/36/39/78/1072363978.db2.gz RYBIZLLHKNUIFA-UHFFFAOYSA-N -1 3 415.405 3.696 20 0 HHADHM Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)COC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000913302418 1072364445 /nfs/dbraw/zinc/36/44/45/1072364445.db2.gz ZSDXFBXDJMCLJZ-UHFFFAOYSA-N -1 3 419.441 3.576 20 0 HHADHM Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)COC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000913302418 1072364453 /nfs/dbraw/zinc/36/44/53/1072364453.db2.gz ZSDXFBXDJMCLJZ-UHFFFAOYSA-N -1 3 419.441 3.576 20 0 HHADHM CC(C)C[N-]S(=O)(=O)c1cc(C(=O)N2CCCC[C@H]2C)c(Cl)cc1Cl ZINC000913419067 1072391310 /nfs/dbraw/zinc/39/13/10/1072391310.db2.gz KPTVQULJJLKGPP-GFCCVEGCSA-N -1 3 407.363 3.942 20 0 HHADHM CCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)NCC(F)(F)F)c(Cl)cc1Cl ZINC000913531799 1072398701 /nfs/dbraw/zinc/39/87/01/1072398701.db2.gz QHCMTNIERVYVAT-QMMMGPOBSA-N -1 3 421.268 3.752 20 0 HHADHM C[C@@H](CC(=O)Nc1ccccc1NC(C)(C)C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000760523495 1072543045 /nfs/dbraw/zinc/54/30/45/1072543045.db2.gz BXMBAGWKRTVPRL-ZDUSSCGKSA-N -1 3 424.954 3.641 20 0 HHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H]1C[C@H](c2ccccc2)C[C@H](C)C1 ZINC001212145456 1072547997 /nfs/dbraw/zinc/54/79/97/1072547997.db2.gz MEHMDRKXLQPTAO-YXJHDRRASA-N -1 3 405.491 3.863 20 0 HHADHM Cc1nc(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)ccc1-c1ccccc1 ZINC000571339187 1072605869 /nfs/dbraw/zinc/60/58/69/1072605869.db2.gz VXFMZJDBHQMKER-UHFFFAOYSA-N -1 3 421.931 3.689 20 0 HHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CC(=O)Nc2c(C)cccc2C)c1Cl ZINC000615144514 1072610445 /nfs/dbraw/zinc/61/04/45/1072610445.db2.gz NSCHFMIXBQBHRS-UHFFFAOYSA-N -1 3 401.315 3.836 20 0 HHADHM COc1ccc(Cl)cc1-n1cc(S(=O)(=O)[N-]c2cc3cn[nH]c3cc2C)cn1 ZINC000479128285 1072737263 /nfs/dbraw/zinc/73/72/63/1072737263.db2.gz IWKARXGBJONYGG-UHFFFAOYSA-N -1 3 417.878 3.520 20 0 HHADHM COc1cccc(Cn2ccc3ccc([N-]S(=O)(=O)C[C@H]4CCCO4)cc32)c1 ZINC000479381987 1072791014 /nfs/dbraw/zinc/79/10/14/1072791014.db2.gz WLGCUFHSHVUUOG-HXUWFJFHSA-N -1 3 400.500 3.619 20 0 HHADHM CCCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2csc(C(=O)OC)c2)c1 ZINC000479403682 1072795633 /nfs/dbraw/zinc/79/56/33/1072795633.db2.gz BWSSSQUIJOACNJ-UHFFFAOYSA-N -1 3 416.908 3.728 20 0 HHADHM C[C@@H](C[C@H]1CCCO1)[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000588173042 1072881693 /nfs/dbraw/zinc/88/16/93/1072881693.db2.gz HYWWGILFVQLPFK-GXSJLCMTSA-N -1 3 416.259 3.704 20 0 HHADHM O=C(Nc1ccc(Br)cc1[O-])c1ncoc1-c1ccc2c(c1)OCCO2 ZINC000555194043 1073241830 /nfs/dbraw/zinc/24/18/30/1073241830.db2.gz YYIWFSQTZBVLFE-UHFFFAOYSA-N -1 3 417.215 3.833 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)CC(C)(C)C)ccc2C)cc1 ZINC000588864276 1073313178 /nfs/dbraw/zinc/31/31/78/1073313178.db2.gz QQYKOMNSNAPSOJ-UHFFFAOYSA-N -1 3 404.532 3.923 20 0 HHADHM COc1ccccc1-c1noc([C@H](C)[N-]S(=O)(=O)Cc2c(C)cccc2C)n1 ZINC000555315577 1073328517 /nfs/dbraw/zinc/32/85/17/1073328517.db2.gz GZVKVPKJWBYHKB-HNNXBMFYSA-N -1 3 401.488 3.543 20 0 HHADHM C[C@@H]([N-]S(=O)(=O)Cc1ccc(C(F)F)cc1)c1nc(-c2cccc(F)c2)no1 ZINC000555317951 1073330140 /nfs/dbraw/zinc/33/01/40/1073330140.db2.gz SWOLTQKAYDDJKT-LLVKDONJSA-N -1 3 411.405 3.994 20 0 HHADHM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)c1cccnc1 ZINC000555376399 1073385858 /nfs/dbraw/zinc/38/58/58/1073385858.db2.gz GBCHCOAXVFLVKE-OAHLLOKOSA-N -1 3 407.294 3.566 20 0 HHADHM COCCCNC(=O)[C@@H](C)S[C@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000600034897 1073421734 /nfs/dbraw/zinc/42/17/34/1073421734.db2.gz DVMQXPKGJHFRDU-VXGBXAGGSA-N -1 3 421.544 3.992 20 0 HHADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H](c3nccs3)C(F)(F)F)cc2)co1 ZINC000555414615 1073429127 /nfs/dbraw/zinc/42/91/27/1073429127.db2.gz YWUOKBUTQUUZSI-CYBMUJFWSA-N -1 3 403.407 3.688 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]C2(Cc3cccc(F)c3)CCOCC2)sc1Cl ZINC000555412615 1073436448 /nfs/dbraw/zinc/43/64/48/1073436448.db2.gz DSYHNFQVDZIEBG-UHFFFAOYSA-N -1 3 403.928 3.919 20 0 HHADHM CCCCN(CCCC)S(=O)(=O)[N-][C@@H](c1nc(-c2cccnc2)no1)C(C)C ZINC000590068877 1073544312 /nfs/dbraw/zinc/54/43/12/1073544312.db2.gz XHLAIIBFYQRGON-QGZVFWFLSA-N -1 3 409.556 3.565 20 0 HHADHM CCCCN(CCCC)S(=O)(=O)[N-][C@H](c1nc(-c2cccnc2)no1)C(C)C ZINC000590068876 1073544494 /nfs/dbraw/zinc/54/44/94/1073544494.db2.gz XHLAIIBFYQRGON-KRWDZBQOSA-N -1 3 409.556 3.565 20 0 HHADHM COc1ccc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c(OC)c1OC ZINC000590069947 1073545402 /nfs/dbraw/zinc/54/54/02/1073545402.db2.gz GUIULMYHZYRQPM-UHFFFAOYSA-N -1 3 420.314 3.540 20 0 HHADHM COC(=O)c1nc[n-]c1NC(=O)c1cc(-c2ccc(C)s2)nc2c1cnn2C(C)C ZINC000555511484 1073578581 /nfs/dbraw/zinc/57/85/81/1073578581.db2.gz NZSZNCRGURSFBY-UHFFFAOYSA-N -1 3 424.486 3.811 20 0 HHADHM COC(=O)c1[n-]cnc1NC(=O)c1cc(-c2ccc(C)s2)nc2c1cnn2C(C)C ZINC000555511484 1073578589 /nfs/dbraw/zinc/57/85/89/1073578589.db2.gz NZSZNCRGURSFBY-UHFFFAOYSA-N -1 3 424.486 3.811 20 0 HHADHM O=C([N-]c1cc(F)ccc1Cl)c1sccc1S(=O)(=O)N1CCSCC1 ZINC000590253042 1073680675 /nfs/dbraw/zinc/68/06/75/1073680675.db2.gz FXJCLCYKUCRCFA-UHFFFAOYSA-N -1 3 420.940 3.530 20 0 HHADHM COc1ccc2cc(/C=C\C(=O)N3CCN(C(=O)c4ccccc4[O-])CC3)ccc2c1 ZINC000760770779 1073709037 /nfs/dbraw/zinc/70/90/37/1073709037.db2.gz GWKKGCIEBUXVBS-XFFZJAGNSA-N -1 3 416.477 3.552 20 0 HHADHM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2c3c(ccc2Cl)CC(C)(C)O3)cc1 ZINC000555695063 1073742416 /nfs/dbraw/zinc/74/24/16/1073742416.db2.gz IWHXODAGVQUSDJ-UHFFFAOYSA-N -1 3 409.891 3.570 20 0 HHADHM Cc1ccc(-c2csc3[n-]c(Cn4c(=O)onc4-c4cccnc4)nc(=O)c23)s1 ZINC000590412469 1073795460 /nfs/dbraw/zinc/79/54/60/1073795460.db2.gz BBLJPBHIXHIFAG-UHFFFAOYSA-N -1 3 423.479 3.694 20 0 HHADHM O=c1nc(CN2CCC(c3nnc4n3CCC4)CC2)[n-]c2scc(-c3ccco3)c21 ZINC000590926493 1074038582 /nfs/dbraw/zinc/03/85/82/1074038582.db2.gz HKKFAPHDGRQENZ-UHFFFAOYSA-N -1 3 422.514 3.574 20 0 HHADHM O=C([N-]c1ncn(Cc2ccc(Cl)cc2)n1)c1nc(F)ccc1Br ZINC001126926274 1074084065 /nfs/dbraw/zinc/08/40/65/1074084065.db2.gz AFUIHRPLUVOONB-UHFFFAOYSA-N -1 3 410.634 3.529 20 0 HHADHM CCC[C@H]([N-]S(=O)(=O)N=[S@](C)(=O)c1cccc(Br)c1)C1CCC1 ZINC001212126428 1074127344 /nfs/dbraw/zinc/12/73/44/1074127344.db2.gz NTIWFXUADZLJEQ-OYHNWAKOSA-N -1 3 423.398 3.709 20 0 HHADHM O=C([N-]CC[C@H]1CN(C(=O)c2cc3c([nH]2)CCCC3)c2ccccc21)C(F)(F)F ZINC001649005365 1074151660 /nfs/dbraw/zinc/15/16/60/1074151660.db2.gz HPOIOJYZHPVLEM-AWEZNQCLSA-N -1 3 405.420 3.706 20 0 HHADHM CSc1nc(NC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)n[n-]1 ZINC000591166953 1074162524 /nfs/dbraw/zinc/16/25/24/1074162524.db2.gz XWNXUHJAOOTZFF-HNNXBMFYSA-N -1 3 415.906 3.680 20 0 HHADHM Cc1ccc(NC(=O)Cc2noc(-c3ccc(C(=O)OCc4ccccc4)[n-]3)n2)cc1 ZINC000904251486 1074185741 /nfs/dbraw/zinc/18/57/41/1074185741.db2.gz QXDAZVQIEBKMCL-UHFFFAOYSA-N -1 3 416.437 3.911 20 0 HHADHM COc1ccccc1-c1noc([C@H](CCSC)[N-]S(=O)(=O)c2ccccc2)n1 ZINC000904270179 1074188724 /nfs/dbraw/zinc/18/87/24/1074188724.db2.gz IBJJCRKCIOFWMG-INIZCTEOSA-N -1 3 419.528 3.518 20 0 HHADHM Cc1cc(C)n2ncc(-c3noc(-c4c[n-]c(=NC(=O)OC(C)(C)C)s4)n3)c2n1 ZINC000904382694 1074209893 /nfs/dbraw/zinc/20/98/93/1074209893.db2.gz GBIDTPFIAXOTPD-UHFFFAOYSA-N -1 3 413.463 3.867 20 0 HHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]Cc2c(F)cccc2Cl)cc1Cl ZINC000591390129 1074263085 /nfs/dbraw/zinc/26/30/85/1074263085.db2.gz ZKAMNVSKYRXNGG-UHFFFAOYSA-N -1 3 409.241 3.709 20 0 HHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CCOc2ccccc21 ZINC000591367873 1074268039 /nfs/dbraw/zinc/26/80/39/1074268039.db2.gz KNHIWBJZQWOSIZ-CYBMUJFWSA-N -1 3 414.405 3.582 20 0 HHADHM Cc1cccc(CCC(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)c1 ZINC000591368140 1074268872 /nfs/dbraw/zinc/26/88/72/1074268872.db2.gz SUOQMGORRRCLMU-UHFFFAOYSA-N -1 3 400.422 3.957 20 0 HHADHM Cc1nc(C2([N-]S(=O)(=O)c3ccc4nc(Cl)cnc4c3)CCCCCC2)no1 ZINC000760854769 1074469263 /nfs/dbraw/zinc/46/92/63/1074469263.db2.gz KGGDIKKAYBERPQ-UHFFFAOYSA-N -1 3 421.910 3.503 20 0 HHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)Nc3cnc(Cl)c(C)c3)cs2)c1 ZINC000760907304 1074620675 /nfs/dbraw/zinc/62/06/75/1074620675.db2.gz KAFXOJMEPIUOCZ-UHFFFAOYSA-N -1 3 416.890 3.947 20 0 HHADHM O=S(=O)([N-][C@@H]1CCN(c2ccc(F)cc2F)C1)c1cccc(Cl)c1Cl ZINC000592824236 1075124498 /nfs/dbraw/zinc/12/44/98/1075124498.db2.gz MUFOWXXKLNKHEN-LLVKDONJSA-N -1 3 407.269 3.829 20 0 HHADHM Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000594188807 1075270552 /nfs/dbraw/zinc/27/05/52/1075270552.db2.gz BIIYAQNPQPPDPD-GFCCVEGCSA-N -1 3 405.479 3.802 20 0 HHADHM O=C(NCCCc1c[n-][nH]c1=O)[C@@H](Sc1ccc(F)c(Cl)c1)c1ccccc1 ZINC001168404776 1075329163 /nfs/dbraw/zinc/32/91/63/1075329163.db2.gz NNWXARNWUBROII-KSSFIOAISA-N -1 3 419.909 3.941 20 0 HHADHM O=C(NCCCc1c[n-][nH]c1=O)[C@@H](Sc1ccc(F)c(Cl)c1)c1ccccc1 ZINC001168404775 1075329199 /nfs/dbraw/zinc/32/91/99/1075329199.db2.gz NNWXARNWUBROII-KDOFPFPSSA-N -1 3 419.909 3.941 20 0 HHADHM CC(C)([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(=O)Nc1ccccc1 ZINC000594775183 1075359409 /nfs/dbraw/zinc/35/94/09/1075359409.db2.gz QXHBKTXANHXAOW-UHFFFAOYSA-N -1 3 404.385 3.540 20 0 HHADHM O=C(NCCCc1c[n-][nH]c1=O)c1ccccc1OCc1ccc(Cl)cc1Cl ZINC001168405924 1075404545 /nfs/dbraw/zinc/40/45/45/1075404545.db2.gz WZZKAPYZSVADLI-ZDUSSCGKSA-N -1 3 420.296 3.814 20 0 HHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCCOc1ccccc1C(C)(C)C ZINC000595522979 1075465289 /nfs/dbraw/zinc/46/52/89/1075465289.db2.gz SLZABDMXPBCNDN-UHFFFAOYSA-N -1 3 408.502 3.658 20 0 HHADHM CCc1ccc(CN(Cc2nc(=O)c3c(C)c(C(=O)OC)sc3[n-]2)C2CC2)cc1 ZINC000575130790 1075470451 /nfs/dbraw/zinc/47/04/51/1075470451.db2.gz GYFLUZQRSUGFCX-UHFFFAOYSA-N -1 3 411.527 3.807 20 0 HHADHM CC1CCN([C@@H](CNC(=O)N[C@H](C(=O)[O-])C2CCCCC2)c2cccs2)CC1 ZINC000780344976 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ZINC000061142847 966380796 /nfs/dbraw/zinc/38/07/96/966380796.db2.gz BGKXIXOHXXUBNM-LLVKDONJSA-N -1 3 423.347 3.603 20 0 HHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)O[C@@H](C)c2c(F)cccc2F)ccc1F ZINC000061180044 966389990 /nfs/dbraw/zinc/38/99/90/966389990.db2.gz JDLMRXYEFYJQCE-NSHDSACASA-N -1 3 401.406 3.709 20 0 HHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)O[C@@H](C)c2ccc(F)cc2F)ccc1F ZINC000061180060 966390168 /nfs/dbraw/zinc/39/01/68/966390168.db2.gz SCPWBAYSEYBEME-NSHDSACASA-N -1 3 401.406 3.709 20 0 HHADHM CCN1CCC[C@@H]1C[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000037382541 966474850 /nfs/dbraw/zinc/47/48/50/966474850.db2.gz QFGLIFCFBIXIFJ-SNVBAGLBSA-N -1 3 416.168 3.519 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC(C3CC3)C3CC3)ccc2C)cc1 ZINC000041868275 966656936 /nfs/dbraw/zinc/65/69/36/966656936.db2.gz ZRFZLBDHEQUHDW-UHFFFAOYSA-N -1 3 414.527 3.723 20 0 HHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3nnn(-c4cccc(C)c4)c3C)nc(=O)c2c1C ZINC000062491055 966690891 /nfs/dbraw/zinc/69/08/91/966690891.db2.gz 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O=C(NCc1ccccc1Oc1ccccc1)N[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000063404333 966845589 /nfs/dbraw/zinc/84/55/89/966845589.db2.gz UWBOCSKJVFRRQV-UHFFFAOYSA-N -1 3 406.398 3.531 20 0 HHADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2cc(NC(=O)CC)ccc2C)cc1 ZINC000063442945 966859415 /nfs/dbraw/zinc/85/94/15/966859415.db2.gz JMBPOOFKTPIIBY-UHFFFAOYSA-N -1 3 406.504 3.560 20 0 HHADHM COC(=O)c1csc(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC000542810870 1013689535 /nfs/dbraw/zinc/68/95/35/1013689535.db2.gz CJGZZWUGWXSQJE-GOSISDBHSA-N -1 3 424.478 3.740 20 0 HHADHM O=C(CNC(=O)c1ccc([O-])cc1)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F ZINC000542815349 1013690757 /nfs/dbraw/zinc/69/07/57/1013690757.db2.gz QPKFDLLHWAURTC-OAHLLOKOSA-N -1 3 420.309 3.561 20 0 HHADHM CCN(CC)Cc1ccc(C(=O)[N-]NC(=S)Nc2cccc(C(F)(F)F)c2)o1 ZINC000063875293 966983679 /nfs/dbraw/zinc/98/36/79/966983679.db2.gz VYHHFCJODZTIBC-UHFFFAOYSA-N -1 3 414.453 3.772 20 0 HHADHM O=C(NCc1cc(F)cc(F)c1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000043759879 967027234 /nfs/dbraw/zinc/02/72/34/967027234.db2.gz LHAMBKFGXIYDBC-UHFFFAOYSA-N -1 3 420.412 3.835 20 0 HHADHM CN(CC1CCCC1)C(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000064089016 967044049 /nfs/dbraw/zinc/04/40/49/967044049.db2.gz ILMVTGAFUORFLA-UHFFFAOYSA-N -1 3 405.347 3.696 20 0 HHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)COc3ccc(C(F)(F)F)cc3)cc2)n1 ZINC000064341942 967147324 /nfs/dbraw/zinc/14/73/24/967147324.db2.gz BNZDWQZIYOTOGY-UHFFFAOYSA-N -1 3 403.360 3.782 20 0 HHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3CCSCC3)c2)c(C)c1 ZINC000064478624 967205391 /nfs/dbraw/zinc/20/53/91/967205391.db2.gz ORMKTUANNCUXHD-UHFFFAOYSA-N -1 3 404.557 3.602 20 0 HHADHM CN(Cc1ccc(Cl)cc1Cl)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000044851822 967302785 /nfs/dbraw/zinc/30/27/85/967302785.db2.gz CZMJEZHCMQQOQN-KRWDZBQOSA-N -1 3 407.297 3.962 20 0 HHADHM O=C(CCSc1ccccc1F)N[N-]C(=O)c1ccc(F)cc1Br ZINC000064835533 967306669 /nfs/dbraw/zinc/30/66/69/967306669.db2.gz LZRWUGHXFMIDTP-UHFFFAOYSA-N -1 3 415.259 3.671 20 0 HHADHM Cc1noc(C)c1CCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000045000082 967326168 /nfs/dbraw/zinc/32/61/68/967326168.db2.gz RTPCSAZYOPJKTO-UHFFFAOYSA-N -1 3 413.499 3.972 20 0 HHADHM CCN(CC)Cc1ccc(C(=O)[N-]NC(=O)CCSc2ccccc2Cl)o1 ZINC000065124764 967389203 /nfs/dbraw/zinc/38/92/03/967389203.db2.gz ZAMMYJQQXQQVOS-UHFFFAOYSA-N -1 3 409.939 3.718 20 0 HHADHM CCOc1ccc([C@@H](NC(=O)NNC(=O)c2ccccc2[O-])C(C)C)cc1OCC ZINC000045263310 967397464 /nfs/dbraw/zinc/39/74/64/967397464.db2.gz PNDFKQUMYOQYQH-FQEVSTJZSA-N -1 3 415.490 3.531 20 0 HHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCC[C@@H]1c1ccccc1Cl ZINC000065506947 967498308 /nfs/dbraw/zinc/49/83/08/967498308.db2.gz BQZYYVKRYLBSSH-LJQANCHMSA-N -1 3 408.889 3.700 20 0 HHADHM Cc1cccc(CNC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c1 ZINC000045700918 967536250 /nfs/dbraw/zinc/53/62/50/967536250.db2.gz PPXZCOLBNFCADC-UHFFFAOYSA-N -1 3 401.894 3.914 20 0 HHADHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(OCc3cccc(F)c3)cc2)c1 ZINC000065635534 967548589 /nfs/dbraw/zinc/54/85/89/967548589.db2.gz RNLKTGGYPMRJCR-UHFFFAOYSA-N -1 3 408.429 3.999 20 0 HHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)c(C#N)c2)ccc1F ZINC000045898160 967589533 /nfs/dbraw/zinc/58/95/33/967589533.db2.gz ZBQDIEXJEXBHSM-UHFFFAOYSA-N -1 3 409.870 3.680 20 0 HHADHM C[C@@H](c1ccccc1F)N(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000045919087 967594109 /nfs/dbraw/zinc/59/41/09/967594109.db2.gz STDSSULCFXJTHV-ZDUSSCGKSA-N -1 3 410.486 3.875 20 0 HHADHM Cc1ccc(C2=CCN(C(=O)c3ccc(F)c(S(=O)(=O)[N-]C(C)C)c3)CC2)cc1 ZINC000046176451 967691951 /nfs/dbraw/zinc/69/19/51/967691951.db2.gz JRQOYEAHRKAYJH-UHFFFAOYSA-N -1 3 416.518 3.750 20 0 HHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2c2ccc(F)cc2)ccc1F ZINC000046194559 967695879 /nfs/dbraw/zinc/69/58/79/967695879.db2.gz HLVDGLJDJZHNCT-GOSISDBHSA-N -1 3 408.470 3.629 20 0 HHADHM COc1ccc2c(ccn2CC(=O)O[C@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)c1 ZINC000046564614 967861535 /nfs/dbraw/zinc/86/15/35/967861535.db2.gz XZPZWMNKDMJZKQ-GFCCVEGCSA-N -1 3 411.483 3.869 20 0 HHADHM C[C@H](NC(=O)N[N-]C(=O)c1ccccc1F)c1ccc(OCc2cccnc2)cc1 ZINC000046648024 967902192 /nfs/dbraw/zinc/90/21/92/967902192.db2.gz HXFRGAHXQYNVER-HNNXBMFYSA-N -1 3 408.433 3.505 20 0 HHADHM O=C(N[N-]C(=O)c1ccccc1F)N[C@@H](COc1ccccc1F)c1ccccc1 ZINC000047136654 968064325 /nfs/dbraw/zinc/06/43/25/968064325.db2.gz NJOCBBZKTYOQOX-IBGZPJMESA-N -1 3 411.408 3.729 20 0 HHADHM COc1cc([C@H](C)NC(=O)N[N-]C(=O)c2ccccc2F)ccc1OCCC(C)C ZINC000047160031 968069872 /nfs/dbraw/zinc/06/98/72/968069872.db2.gz FYZXANYWAGFHSH-HNNXBMFYSA-N -1 3 417.481 3.964 20 0 HHADHM CCOc1ccc2nc(NC(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])sc2c1 ZINC000048029746 968394126 /nfs/dbraw/zinc/39/41/26/968394126.db2.gz JKWUVMZKBNKDTJ-MRXNPFEDSA-N -1 3 411.483 3.644 20 0 HHADHM O=C(c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)N1CC[C@@H]2CCCC[C@H]2C1 ZINC000048163122 968465684 /nfs/dbraw/zinc/46/56/84/968465684.db2.gz VRVWHVYOXHVCSN-GJZGRUSLSA-N -1 3 405.495 3.607 20 0 HHADHM O=C(c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)N1CC[C@H]2CCCC[C@H]2C1 ZINC000048163124 968465947 /nfs/dbraw/zinc/46/59/47/968465947.db2.gz VRVWHVYOXHVCSN-CABCVRRESA-N -1 3 405.495 3.607 20 0 HHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cc(OC(F)F)cc(OC(F)F)c1 ZINC000538265474 1013806698 /nfs/dbraw/zinc/80/66/98/1013806698.db2.gz BCTQWOHNWOOPOC-UHFFFAOYSA-N -1 3 422.356 3.513 20 0 HHADHM Cc1nc(C)c(CCC(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)c(=O)[n-]1 ZINC000065782034 968640005 /nfs/dbraw/zinc/64/00/05/968640005.db2.gz DMSJCTUXFFZVMP-UHFFFAOYSA-N -1 3 412.877 3.585 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@H](C)Cc2ccccc2C)cc1OC ZINC000065805187 968653411 /nfs/dbraw/zinc/65/34/11/968653411.db2.gz MELMECNFDLKJCB-OAHLLOKOSA-N -1 3 405.520 3.518 20 0 HHADHM CC(C)(C)n1cc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)cn1 ZINC000065924169 968716376 /nfs/dbraw/zinc/71/63/76/968716376.db2.gz FPYUQGHCTZAOHV-UHFFFAOYSA-N -1 3 416.478 3.830 20 0 HHADHM O=C(NC1CCN(c2nc3ccccc3s2)CC1)c1cc(=O)c2ccccc2[n-]1 ZINC000065926284 968717812 /nfs/dbraw/zinc/71/78/12/968717812.db2.gz YIYOLRVYGRYZDE-UHFFFAOYSA-N -1 3 404.495 3.537 20 0 HHADHM O=C(c1sccc1-c1ccc(F)cc1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000066044597 968780621 /nfs/dbraw/zinc/78/06/21/968780621.db2.gz ZFFTUHJAHAJEMQ-UHFFFAOYSA-N -1 3 410.470 3.858 20 0 HHADHM CCc1cccc(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c1 ZINC000072074534 968975105 /nfs/dbraw/zinc/97/51/05/968975105.db2.gz VBUZSZVTSPIWOE-UHFFFAOYSA-N -1 3 420.840 3.838 20 0 HHADHM O=S(=O)([N-]Cc1cc(Br)ccc1F)c1cnc(Cl)c(Cl)c1 ZINC000083935118 969036459 /nfs/dbraw/zinc/03/64/59/969036459.db2.gz AYTDXCJIUVPHJG-UHFFFAOYSA-N -1 3 414.083 3.769 20 0 HHADHM Cc1cc(C)n(-c2ccc(Cl)c(C(=O)[N-]c3nnc(C(F)(F)F)s3)n2)n1 ZINC000097251262 969106878 /nfs/dbraw/zinc/10/68/78/969106878.db2.gz BYZZCVNITDUSBF-UHFFFAOYSA-N -1 3 402.789 3.660 20 0 HHADHM C[C@@H](NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1cccc(C(F)(F)F)c1 ZINC000097395209 969131592 /nfs/dbraw/zinc/13/15/92/969131592.db2.gz GRDVPDSDAPQVFN-CQSZACIVSA-N -1 3 421.419 3.640 20 0 HHADHM COc1ccc(-c2cc(C(=O)NCCNC(=O)c3ccc([O-])cc3)sc2C)cc1 ZINC000097494384 969147435 /nfs/dbraw/zinc/14/74/35/969147435.db2.gz DQOQTIMQWIMTAC-UHFFFAOYSA-N -1 3 410.495 3.598 20 0 HHADHM COc1ccc(C(=O)NCC2(c3cccc(Br)c3)CCOCC2)c([O-])c1 ZINC000108330588 969374691 /nfs/dbraw/zinc/37/46/91/969374691.db2.gz ISYLTZADYUMRFK-UHFFFAOYSA-N -1 3 420.303 3.642 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C2=Cc3cc(Cl)ccc3OC2)cc1OC ZINC000108689864 969410688 /nfs/dbraw/zinc/41/06/88/969410688.db2.gz KBYXHLTULHNHKM-UHFFFAOYSA-N -1 3 422.890 3.525 20 0 HHADHM CCCCN(CC)c1ccc(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000110223932 969639582 /nfs/dbraw/zinc/63/95/82/969639582.db2.gz KYHRSDAGVHDLTJ-UHFFFAOYSA-N -1 3 409.530 3.617 20 0 HHADHM CS(=O)(=O)Cc1c2ccccc2oc1C(=O)[N-]c1nnc(-c2ccccc2)s1 ZINC000110323122 969654350 /nfs/dbraw/zinc/65/43/50/969654350.db2.gz XNSMGDRQMJTJOI-UHFFFAOYSA-N -1 3 413.480 3.748 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3ccc(OC(F)F)c(OC)c3)nc2)n1 ZINC000111220852 969808190 /nfs/dbraw/zinc/80/81/90/969808190.db2.gz PEGLHALSSKDUMK-UHFFFAOYSA-N -1 3 402.401 3.616 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C)c3ccc(OCCOC)c(OC)c3)nc2)n1 ZINC000111228438 969811724 /nfs/dbraw/zinc/81/17/24/969811724.db2.gz PIABURNWZRSLNI-OAHLLOKOSA-N -1 3 424.501 3.601 20 0 HHADHM C[C@H](OC(=O)c1cc(-c2ccco2)[n-]n1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000115647002 969845440 /nfs/dbraw/zinc/84/54/40/969845440.db2.gz GJQYDGPWFBOYRO-JTQLQIEISA-N -1 3 409.320 3.752 20 0 HHADHM C[C@H](OC(=O)c1cc(-c2ccco2)n[n-]1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000115647002 969845444 /nfs/dbraw/zinc/84/54/44/969845444.db2.gz GJQYDGPWFBOYRO-JTQLQIEISA-N -1 3 409.320 3.752 20 0 HHADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](c2cccs2)c2ccc(F)cc2)c1 ZINC000115877628 969858570 /nfs/dbraw/zinc/85/85/70/969858570.db2.gz YQKJAAJJZDCVQP-SFHVURJKSA-N -1 3 423.462 3.881 20 0 HHADHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000116082584 969871123 /nfs/dbraw/zinc/87/11/23/969871123.db2.gz GZAPRWKWECLEPW-QFIPXVFZSA-N -1 3 417.509 3.884 20 0 HHADHM C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)N[N-]C(=O)c1ccccc1Br ZINC000117232154 969943548 /nfs/dbraw/zinc/94/35/48/969943548.db2.gz VBTRUUKSYODJRM-ZDUSSCGKSA-N -1 3 419.319 3.975 20 0 HHADHM CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000195683826 969953508 /nfs/dbraw/zinc/95/35/08/969953508.db2.gz MPLMHBLWZJMTJC-NRFANRHFSA-N -1 3 414.465 3.648 20 0 HHADHM CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000195683827 969953647 /nfs/dbraw/zinc/95/36/47/969953647.db2.gz MPLMHBLWZJMTJC-OAQYLSRUSA-N -1 3 414.465 3.648 20 0 HHADHM CCN(C[C@H]1CCCO1)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C ZINC000142325949 970152008 /nfs/dbraw/zinc/15/20/08/970152008.db2.gz PJOJJLDYDPKNFC-LJQANCHMSA-N -1 3 416.543 3.745 20 0 HHADHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2ccn(-c3cc(C)ccc3OC)n2)cc1 ZINC000143124618 970182833 /nfs/dbraw/zinc/18/28/33/970182833.db2.gz CNVSCBJMUAQWNX-GOSISDBHSA-N -1 3 402.454 3.713 20 0 HHADHM C[C@@H](Oc1ccc2ccccc2c1)C(=O)N[N-]C(=O)c1cnc(-c2ccccc2)nc1 ZINC000144159980 970223203 /nfs/dbraw/zinc/22/32/03/970223203.db2.gz KOUJEVSSCWWDKF-MRXNPFEDSA-N -1 3 412.449 3.525 20 0 HHADHM CN(C)CCN(CC(=O)[O-])C(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl ZINC000237148548 970231717 /nfs/dbraw/zinc/23/17/17/970231717.db2.gz HFJBTHRWLUMMJN-UHFFFAOYSA-N -1 3 409.722 3.950 20 0 HHADHM COc1cc(/C=C/C(=O)c2nnn(-c3ccccc3)c2C)cc(Br)c1[O-] ZINC000147690344 970336839 /nfs/dbraw/zinc/33/68/39/970336839.db2.gz HAPGOWKSYVNQID-CMDGGOBGSA-N -1 3 414.259 3.949 20 0 HHADHM CC(=O)Nc1cc(C(=O)O[C@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)ccc1F ZINC000164558715 970450147 /nfs/dbraw/zinc/45/01/47/970450147.db2.gz QAUFSNULSOKSNK-SECBINFHSA-N -1 3 403.435 3.617 20 0 HHADHM C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000195532573 970495571 /nfs/dbraw/zinc/49/55/71/970495571.db2.gz OUPHUEFPJZZDKD-AWEZNQCLSA-N -1 3 404.919 3.511 20 0 HHADHM COc1ccc(C(=O)N2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)c([O-])c1 ZINC000195538038 970499828 /nfs/dbraw/zinc/49/98/28/970499828.db2.gz AJOZSNSINJYORM-INIZCTEOSA-N -1 3 409.269 3.951 20 0 HHADHM C[C@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000253619920 970568273 /nfs/dbraw/zinc/56/82/73/970568273.db2.gz BNGSYHARJUKDCM-JKIFEVAISA-N -1 3 411.531 3.697 20 0 HHADHM COc1ccc(-c2csc([N-]C(=O)c3ccc(S(C)(=O)=O)o3)n2)cc1Cl ZINC000261437697 970681115 /nfs/dbraw/zinc/68/11/15/970681115.db2.gz FFWOUNFIVYBZFG-UHFFFAOYSA-N -1 3 412.876 3.721 20 0 HHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCCN(Cc3ccc(F)cc3Cl)C2)c1 ZINC000261466548 970704067 /nfs/dbraw/zinc/70/40/67/970704067.db2.gz RZDFPZMPWMXPAF-KRWDZBQOSA-N -1 3 419.884 3.538 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)c(Cl)c2)cc1Br ZINC000320385920 972680748 /nfs/dbraw/zinc/68/07/48/972680748.db2.gz RVXFBSWDAVOJOB-UHFFFAOYSA-N -1 3 419.728 3.978 20 0 HHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](C)c1ccc(Cl)cc1Cl ZINC000327703216 972761072 /nfs/dbraw/zinc/76/10/72/972761072.db2.gz XPHSSGVHRWLRAH-VIFPVBQESA-N -1 3 406.262 3.959 20 0 HHADHM CC1(C)CN(C(=O)c2cc(Br)ccc2[O-])CCN1Cc1ccccc1 ZINC000383070383 972790644 /nfs/dbraw/zinc/79/06/44/972790644.db2.gz LLQGAJCOHWQVDO-UHFFFAOYSA-N -1 3 403.320 3.891 20 0 HHADHM O=S(=O)([N-]Cc1ccccc1OC(F)F)c1ccc(Br)cc1F ZINC000391436419 972839484 /nfs/dbraw/zinc/83/94/84/972839484.db2.gz GBVQZFJRQGPBGV-UHFFFAOYSA-N -1 3 410.211 3.668 20 0 HHADHM O=S(=O)([N-]Cc1csc(Br)c1)c1cnc(Cl)c(Cl)c1 ZINC000398294298 972879474 /nfs/dbraw/zinc/87/94/74/972879474.db2.gz CNISWXMWPWISKX-UHFFFAOYSA-N -1 3 402.122 3.691 20 0 HHADHM CCc1nc(C2([N-]S(=O)(=O)c3cccc(-c4nc(C)cs4)c3)CCCC2)no1 ZINC000409496123 972948193 /nfs/dbraw/zinc/94/81/93/972948193.db2.gz SJURJVHCBYOUGO-UHFFFAOYSA-N -1 3 418.544 3.812 20 0 HHADHM Cc1nc2cc(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)ccc2n1Cc1ccsc1 ZINC000409505202 972958154 /nfs/dbraw/zinc/95/81/54/972958154.db2.gz XBLJTYQUORRGPL-UHFFFAOYSA-N -1 3 415.482 3.887 20 0 HHADHM Cc1nc2cc(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)ccc2n1Cc1ccsc1 ZINC000409505202 972958157 /nfs/dbraw/zinc/95/81/57/972958157.db2.gz XBLJTYQUORRGPL-UHFFFAOYSA-N -1 3 415.482 3.887 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](Cn3ccccc3=O)c3ccccc3)nc2)n1 ZINC000409519387 972975016 /nfs/dbraw/zinc/97/50/16/972975016.db2.gz GCXLURVRLGPOCH-FQEVSTJZSA-N -1 3 413.481 3.822 20 0 HHADHM O=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)Nc1c(F)cccc1F ZINC000409654061 973105327 /nfs/dbraw/zinc/10/53/27/973105327.db2.gz VSCMTTZAOMVCGL-UHFFFAOYSA-N -1 3 413.409 3.530 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC(N4CCc5ccccc54)CC3)nc2)n1 ZINC000409669734 973131616 /nfs/dbraw/zinc/13/16/16/973131616.db2.gz VMMCYBZWYMDHOX-UHFFFAOYSA-N -1 3 401.514 3.838 20 0 HHADHM C[C@H](CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)c1ccccc1 ZINC000410223035 973718949 /nfs/dbraw/zinc/71/89/49/973718949.db2.gz HWHTWEIQOKEPKE-OAHLLOKOSA-N -1 3 415.490 3.878 20 0 HHADHM CCCCc1nc2ccc([N-]S(=O)(=O)c3ccc(C(=O)OC)c(OC)c3)cc2[nH]1 ZINC000410377930 973976138 /nfs/dbraw/zinc/97/61/38/973976138.db2.gz AKVCTNZAAMHMFW-UHFFFAOYSA-N -1 3 417.487 3.502 20 0 HHADHM COC(=O)c1ccccc1S(=O)(=O)[N-]c1cc(F)c(Br)cc1Cl ZINC000410398862 973998376 /nfs/dbraw/zinc/99/83/76/973998376.db2.gz SHKHOZGJFWCPNA-UHFFFAOYSA-N -1 3 422.659 3.829 20 0 HHADHM COC(=O)c1ccc(-c2nc(CC(=O)Nc3ccccc3Oc3ccccc3)no2)[n-]1 ZINC000426433394 974446620 /nfs/dbraw/zinc/44/66/20/974446620.db2.gz OUUNVHWOOLQXQS-UHFFFAOYSA-N -1 3 418.409 3.825 20 0 HHADHM COc1ccccc1C[C@H](CNCc1csc(-c2ccc(F)cc2)n1)C(=O)[O-] ZINC000426627982 974571043 /nfs/dbraw/zinc/57/10/43/974571043.db2.gz JGRGXUYAJJHYDP-MRXNPFEDSA-N -1 3 400.475 3.991 20 0 HHADHM O=C([O-])[C@@H](CNCc1cc2ccccc2nc1N1CCCCC1)Oc1ccc(F)cc1 ZINC000426630003 974571614 /nfs/dbraw/zinc/57/16/14/974571614.db2.gz SMWXEHRDXLBZPP-JOCHJYFZSA-N -1 3 423.488 3.986 20 0 HHADHM O=C([O-])[C@H](CNCc1cc(Cl)ccc1Br)Oc1ccc(F)cc1 ZINC000426631278 974572589 /nfs/dbraw/zinc/57/25/89/974572589.db2.gz NWXQDHPKIOMSKY-HNNXBMFYSA-N -1 3 402.647 3.863 20 0 HHADHM COc1cc(Br)c(CNC[C@H](Cc2cccc(C)c2)C(=O)[O-])c(OC)c1 ZINC000426639571 974577174 /nfs/dbraw/zinc/57/71/74/974577174.db2.gz NUUOCMCQMUDPGN-HNNXBMFYSA-N -1 3 422.319 3.808 20 0 HHADHM COc1ccc(CNCC[C@@H](Cc2ccccc2)C(=O)[O-])c(Br)c1O ZINC000426643288 974578782 /nfs/dbraw/zinc/57/87/82/974578782.db2.gz OBZWUOAYMPTXCH-AWEZNQCLSA-N -1 3 408.292 3.587 20 0 HHADHM COc1ccc([C@@H](CCC(=O)[O-])NCc2cc3c(c(Br)c2)OCO3)cc1 ZINC000426724447 974617052 /nfs/dbraw/zinc/61/70/52/974617052.db2.gz SJPNBCIIFRPQMB-MRXNPFEDSA-N -1 3 422.275 3.882 20 0 HHADHM COc1cc(C[NH2+][C@H](CCC(=O)[O-])Cc2ccccc2)cc(Br)c1[O-] ZINC000426733661 974622564 /nfs/dbraw/zinc/62/25/64/974622564.db2.gz NQKPAIYYIATOII-OAHLLOKOSA-N -1 3 408.292 3.729 20 0 HHADHM COc1ccc([C@H](CCC(=O)[O-])NCc2cc3c(cc2SC)OCCO3)cc1 ZINC000426736071 974624089 /nfs/dbraw/zinc/62/40/89/974624089.db2.gz HXBMRICVKIGICF-KRWDZBQOSA-N -1 3 403.500 3.884 20 0 HHADHM COc1ccc(C[NH2+][C@H](CCC(=O)[O-])Cc2ccccc2)c(Br)c1[O-] ZINC000426739450 974626595 /nfs/dbraw/zinc/62/65/95/974626595.db2.gz CHQOEGBLHFCXQN-OAHLLOKOSA-N -1 3 408.292 3.729 20 0 HHADHM COc1cccc(CSC[C@@H](NCc2sccc2Br)C(=O)[O-])c1 ZINC000426755057 974637513 /nfs/dbraw/zinc/63/75/13/974637513.db2.gz WHBCFLJLLJZVOG-CQSZACIVSA-N -1 3 416.362 3.995 20 0 HHADHM COc1ccc([C@H](CC(=O)[O-])NCc2ccc(Oc3cnccn3)cc2)cc1OC ZINC000426786884 974659442 /nfs/dbraw/zinc/65/94/42/974659442.db2.gz ZFGOQEAZQPCTNN-SFHVURJKSA-N -1 3 409.442 3.592 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)Nc1ccnn1[C@H](C)CC(C)C ZINC000426878890 974727246 /nfs/dbraw/zinc/72/72/46/974727246.db2.gz MMXVGQXGIGDXID-OAHLLOKOSA-N -1 3 408.506 3.515 20 0 HHADHM C[C@@H]1Cc2ccccc2N1Cc1occc1C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000427087113 974891920 /nfs/dbraw/zinc/89/19/20/974891920.db2.gz MKOMKTRBXMLJCO-OAHLLOKOSA-N -1 3 414.469 3.587 20 0 HHADHM C[C@@H]1Cc2ccccc2N1Cc1occc1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000427087113 974891931 /nfs/dbraw/zinc/89/19/31/974891931.db2.gz MKOMKTRBXMLJCO-OAHLLOKOSA-N -1 3 414.469 3.587 20 0 HHADHM COC(=O)C1(CS(=O)(=O)[N-]c2cccc(OCc3cscn3)c2)CCCCC1 ZINC000427214186 974983295 /nfs/dbraw/zinc/98/32/95/974983295.db2.gz WUTONKFARZKDRA-UHFFFAOYSA-N -1 3 424.544 3.587 20 0 HHADHM COc1ccc(Cl)cc1CS(=O)(=O)[N-][C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000427251958 975005449 /nfs/dbraw/zinc/00/54/49/975005449.db2.gz YKHKOGYBKWAEQB-ZDUSSCGKSA-N -1 3 421.906 3.503 20 0 HHADHM CCS[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000427251666 975005562 /nfs/dbraw/zinc/00/55/62/975005562.db2.gz XQNKEOPEPFWKMJ-UKRRQHHQSA-N -1 3 408.948 3.780 20 0 HHADHM CC[S@](=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000427263257 975012367 /nfs/dbraw/zinc/01/23/67/975012367.db2.gz RPEJEQGSYFEDNQ-BWJFDKCMSA-N -1 3 417.902 3.717 20 0 HHADHM CCOC(=O)c1cc(COC)cc(S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)c1 ZINC000427267494 975015200 /nfs/dbraw/zinc/01/52/00/975015200.db2.gz YZZMBXQDBQSKBC-UHFFFAOYSA-N -1 3 424.494 3.770 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(cc(C)c(=O)n3C)c2)cc1Cl ZINC000427355294 975073504 /nfs/dbraw/zinc/07/35/04/975073504.db2.gz RVSRHVHMTPARJT-UHFFFAOYSA-N -1 3 406.891 3.618 20 0 HHADHM CCc1c(NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)cnn1CCC(C)C ZINC000427413678 975101780 /nfs/dbraw/zinc/10/17/80/975101780.db2.gz MSOGEPPEEYOJEG-UHFFFAOYSA-N -1 3 422.533 3.517 20 0 HHADHM CN(C(=O)c1cc(=O)c2ccccc2[n-]1)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000427464083 975132092 /nfs/dbraw/zinc/13/20/92/975132092.db2.gz HYKZZDFWYBNLHO-NRFANRHFSA-N -1 3 404.857 3.833 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N[C@H](C)CC3CCCCC3)c2)n1 ZINC000427657797 975228063 /nfs/dbraw/zinc/22/80/63/975228063.db2.gz SBHMSFLUWZXDHU-OAHLLOKOSA-N -1 3 410.518 3.825 20 0 HHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000427811478 975303114 /nfs/dbraw/zinc/30/31/14/975303114.db2.gz MQRASICZIAVIQY-CXAGYDPISA-N -1 3 401.937 3.728 20 0 HHADHM CC(C)[C@H]([N-]S(=O)(=O)C[C@H](C)c1ccccc1)c1nc(-c2cccnc2)no1 ZINC000427846595 975318895 /nfs/dbraw/zinc/31/88/95/975318895.db2.gz AHSBGHYEYWNGEK-YJBOKZPZSA-N -1 3 400.504 3.552 20 0 HHADHM Cn1c2cc([O-])c(NC(=O)c3[nH]c4ccc(Cl)cc4c3Cl)cc2n(C)c1=O ZINC000427992715 975378708 /nfs/dbraw/zinc/37/87/08/975378708.db2.gz NIXCXVOVVRWYCX-UHFFFAOYSA-N -1 3 405.241 3.623 20 0 HHADHM O=C(N=c1cc(-c2ccncc2)[n-][nH]1)c1cc(NCc2ccccc2)nc2ccccc21 ZINC000427995480 975379937 /nfs/dbraw/zinc/37/99/37/975379937.db2.gz LBYMMSWLZVZLOZ-UHFFFAOYSA-N -1 3 420.476 3.728 20 0 HHADHM O=C(NCc1ccc([O-])c(F)c1)c1cn(Cc2ccccc2)c2ccccc2c1=O ZINC000428032701 975396851 /nfs/dbraw/zinc/39/68/51/975396851.db2.gz OUXFXTOPDHNJTR-UHFFFAOYSA-N -1 3 402.425 3.825 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)[C@@H]3CC3(C)C)ccc2C)cc1 ZINC000428081400 975424011 /nfs/dbraw/zinc/42/40/11/975424011.db2.gz AKWDKDDMNICXNL-LJQANCHMSA-N -1 3 402.516 3.675 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)NC[C@]3(CO)C[C@@H]3c3ccc(F)cc3)cc2)cc(=O)[n-]1 ZINC000428702018 975992805 /nfs/dbraw/zinc/99/28/05/975992805.db2.gz UNVANKSRDWZXKP-XXBNENTESA-N -1 3 422.460 3.584 20 0 HHADHM Cc1nn(-c2ccccc2)c(C)c1[C@@H]([N-]S(=O)(=O)c1cnccc1C)C(F)(F)F ZINC000429245758 976534284 /nfs/dbraw/zinc/53/42/84/976534284.db2.gz DIBHKRKUDUNJSV-GOSISDBHSA-N -1 3 424.448 3.774 20 0 HHADHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C1CCN(CC(F)(F)F)CC1 ZINC000429304776 976579237 /nfs/dbraw/zinc/57/92/37/976579237.db2.gz ATQYHBHJJODOIR-SNVBAGLBSA-N -1 3 419.296 3.935 20 0 HHADHM CCc1c(C(=O)[N-]c2nnc(-c3ccsc3)s2)nnn1Cc1ccc(F)cc1 ZINC000429401770 976677240 /nfs/dbraw/zinc/67/72/40/976677240.db2.gz BFMATQBPAMZYEE-UHFFFAOYSA-N -1 3 414.491 3.860 20 0 HHADHM O=S(=O)([N-][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1cc(Cl)ccc1Br ZINC000429826768 977096667 /nfs/dbraw/zinc/09/66/67/977096667.db2.gz GVDKMCIEELDZQU-NILFDRSVSA-N -1 3 420.756 3.729 20 0 HHADHM O=S(=O)([N-][C@H](Cc1ccccc1)[C@@H](O)C(F)F)c1ccc(Cl)cc1Cl ZINC000429827968 977097609 /nfs/dbraw/zinc/09/76/09/977097609.db2.gz LILZAXPIZCOFRX-UKRRQHHQSA-N -1 3 410.269 3.509 20 0 HHADHM CCOc1cc(C(=O)NC[C@H]2CSCCN2Cc2ccccc2)cc(Cl)c1[O-] ZINC000430099394 977318878 /nfs/dbraw/zinc/31/88/78/977318878.db2.gz LEYVUWVAPVUAMQ-KRWDZBQOSA-N -1 3 420.962 3.792 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(Cl)c(CN3CCOCC3)c2)cc1C ZINC000430391193 977519038 /nfs/dbraw/zinc/51/90/38/977519038.db2.gz VHDGQTXXLXIBTN-UHFFFAOYSA-N -1 3 424.950 3.598 20 0 HHADHM CCc1cnccc1CNC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430565034 977633716 /nfs/dbraw/zinc/63/37/16/977633716.db2.gz DNJSOAKXBVUCFU-UHFFFAOYSA-N -1 3 420.694 3.831 20 0 HHADHM C[C@@H](CNC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O)C(F)(F)F ZINC000430569778 977636793 /nfs/dbraw/zinc/63/67/93/977636793.db2.gz JASFYASYLHJYCB-LURJTMIESA-N -1 3 411.605 3.872 20 0 HHADHM CN(C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O)[C@H]1CCSC1 ZINC000430579976 977642342 /nfs/dbraw/zinc/64/23/42/977642342.db2.gz DADIZTKCGPCURJ-VIFPVBQESA-N -1 3 401.713 3.522 20 0 HHADHM Cc1ccc(NC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)c(=O)[nH]1 ZINC000430585428 977644645 /nfs/dbraw/zinc/64/46/45/977644645.db2.gz WRCBWDKXGBDVLT-UHFFFAOYSA-N -1 3 408.639 3.605 20 0 HHADHM Cc1cc(=O)[nH]cc1NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430590118 977647421 /nfs/dbraw/zinc/64/74/21/977647421.db2.gz JZVSOGOMKQTVPI-UHFFFAOYSA-N -1 3 408.639 3.605 20 0 HHADHM C[C@@H]1CN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)[C@H](C)[C@H](C)O1 ZINC000430603847 977652056 /nfs/dbraw/zinc/65/20/56/977652056.db2.gz LNKDALBOKVQEGB-BBBLOLIVSA-N -1 3 413.699 3.582 20 0 HHADHM CN(Cc1cccn1C)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430602519 977652164 /nfs/dbraw/zinc/65/21/64/977652164.db2.gz LPAUCRMYXHYGGZ-UHFFFAOYSA-N -1 3 408.683 3.555 20 0 HHADHM C[C@H]1N(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)CCOC1(C)C ZINC000430610751 977654300 /nfs/dbraw/zinc/65/43/00/977654300.db2.gz LSYFITAPXURANC-SECBINFHSA-N -1 3 413.699 3.584 20 0 HHADHM CC[C@H]1CN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)CCS1 ZINC000430613595 977655252 /nfs/dbraw/zinc/65/52/52/977655252.db2.gz WXPJAEYSKLIRBU-JTQLQIEISA-N -1 3 415.740 3.912 20 0 HHADHM C[C@@H](C[C@H]1CCCO1)NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430646941 977665833 /nfs/dbraw/zinc/66/58/33/977665833.db2.gz FGBBOSADZAECIF-GXSJLCMTSA-N -1 3 413.699 3.631 20 0 HHADHM O=C([O-])[C@H]1CCN(CC(=O)N(Cc2ccc(F)cc2)C23CC4CC(CC(C4)C2)C3)C1 ZINC000430654838 977670566 /nfs/dbraw/zinc/67/05/66/977670566.db2.gz SKHFSKRMBPNNQN-WNZYQOIOSA-N -1 3 414.521 3.530 20 0 HHADHM Cc1nc(-c2ccc(N3C(=O)[C@@H]4C[C@@H](C5CCCCC5)CN4C3=O)cc2)cc(=O)[n-]1 ZINC000430939846 977902063 /nfs/dbraw/zinc/90/20/63/977902063.db2.gz HXAUGRITJIYOBG-XLIONFOSSA-N -1 3 406.486 3.895 20 0 HHADHM NC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(OCc3ccccc3)cc2)ccc1F ZINC000431158734 978059024 /nfs/dbraw/zinc/05/90/24/978059024.db2.gz LCSLJPYBVKLVJP-UHFFFAOYSA-N -1 3 415.446 3.696 20 0 HHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C[C@@H](c2ccccc2)C2CC2)cc1Cl ZINC000431601288 978377264 /nfs/dbraw/zinc/37/72/64/978377264.db2.gz DHLDWZGFUJIRAL-HNNXBMFYSA-N -1 3 410.898 3.910 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NC[C@H](c2ccccc2)C2CC2)cc1OC ZINC000431710160 978451059 /nfs/dbraw/zinc/45/10/59/978451059.db2.gz IUVNXXSFSGFSNW-GOSISDBHSA-N -1 3 417.531 3.772 20 0 HHADHM Cc1cn2ccnc(C(=O)[N-]c3nnc(-c4cccc(Br)c4)s3)c2n1 ZINC000431841044 978546881 /nfs/dbraw/zinc/54/68/81/978546881.db2.gz CIPCLLDAVXREIV-UHFFFAOYSA-N -1 3 415.276 3.571 20 0 HHADHM O=C1[C@@H]2C[C@H](C3CCCCC3)CN2C(=O)N1Cc1ccc([O-])c(Br)c1 ZINC000431860825 978556882 /nfs/dbraw/zinc/55/68/82/978556882.db2.gz RPAYEPZJNMAVMR-HOCLYGCPSA-N -1 3 407.308 3.888 20 0 HHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C(C)(C)c2ccc(F)c(F)c2)cc1Cl ZINC000431891044 978581833 /nfs/dbraw/zinc/58/18/33/978581833.db2.gz IUHNRNOEBCHZDE-UHFFFAOYSA-N -1 3 420.840 3.929 20 0 HHADHM Cc1cc([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)ccc1Oc1cccnc1 ZINC000432202371 978711585 /nfs/dbraw/zinc/71/15/85/978711585.db2.gz IXIRGKFSUYOZCY-UHFFFAOYSA-N -1 3 407.451 3.825 20 0 HHADHM Cc1nc([C@@](C)([N-]S(=O)(=O)c2ccc(OCc3ccccc3)cc2)C2CC2)no1 ZINC000432258371 978731948 /nfs/dbraw/zinc/73/19/48/978731948.db2.gz NCYRXTMGAOKZIH-NRFANRHFSA-N -1 3 413.499 3.561 20 0 HHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2cccc(N3CCOCC3)c2)c1Cl ZINC000432287749 978745332 /nfs/dbraw/zinc/74/53/32/978745332.db2.gz UOCCTOZXGVCYBD-UHFFFAOYSA-N -1 3 415.342 3.617 20 0 HHADHM CS(=O)(=O)c1cc(C(=O)[N-]c2nnc([C@@H]3CCCc4ccccc43)s2)cs1 ZINC000432587187 978902024 /nfs/dbraw/zinc/90/20/24/978902024.db2.gz IUCJYVDSXOZYSL-CQSZACIVSA-N -1 3 419.553 3.724 20 0 HHADHM Cn1nc(C(=O)[N-]c2nnc([C@@H]3CCCc4ccccc43)s2)cc1OC(F)F ZINC000432627829 978916255 /nfs/dbraw/zinc/91/62/55/978916255.db2.gz WPIZFEWQPNNBLS-GFCCVEGCSA-N -1 3 405.430 3.594 20 0 HHADHM Cc1c(Br)ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1F ZINC000432644450 978923472 /nfs/dbraw/zinc/92/34/72/978923472.db2.gz SOQLVFLCAHQKRL-UHFFFAOYSA-N -1 3 401.213 3.544 20 0 HHADHM CCc1ccc([C@H](NC(=O)CSc2ncc(C(=O)OC)[n-]2)c2cccs2)cc1 ZINC000432669065 978930440 /nfs/dbraw/zinc/93/04/40/978930440.db2.gz KZLUQWSOUKXTIH-SFHVURJKSA-N -1 3 415.540 3.818 20 0 HHADHM CN(C)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCc4ccccc43)cc2)cc1 ZINC000432767845 978967431 /nfs/dbraw/zinc/96/74/31/978967431.db2.gz LXFOATOZTCIHIT-UHFFFAOYSA-N -1 3 421.522 3.756 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2C)cc1Cl ZINC000432769138 978967887 /nfs/dbraw/zinc/96/78/87/978967887.db2.gz QUAUUHKXBZLGSY-DEOSSOPVSA-N -1 3 401.937 3.645 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)[C@@H](C)O3)cc1C(C)C ZINC000432779446 978972391 /nfs/dbraw/zinc/97/23/91/978972391.db2.gz KDFPOPHZLXVVEN-CYBMUJFWSA-N -1 3 404.488 3.647 20 0 HHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)Cc3cscc3Br)cc2)n1 ZINC000432889081 979001855 /nfs/dbraw/zinc/00/18/55/979001855.db2.gz FZBUNCFJENPNRF-UHFFFAOYSA-N -1 3 404.289 3.751 20 0 HHADHM CCn1nccc1C1CCN(C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)CC1 ZINC000432954918 979022530 /nfs/dbraw/zinc/02/25/30/979022530.db2.gz KEXHHVVTRFTPGR-UHFFFAOYSA-N -1 3 406.490 3.786 20 0 HHADHM Cn1[n-]c(-c2cccs2)nc1=NS(=O)(=O)c1ccc(Cl)c2ccccc21 ZINC000432956977 979023764 /nfs/dbraw/zinc/02/37/64/979023764.db2.gz BZQRFXVBASTKQW-UHFFFAOYSA-N -1 3 404.904 3.573 20 0 HHADHM Cc1cccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)c1C(=O)N1CCCC1 ZINC000433226420 979160906 /nfs/dbraw/zinc/16/09/06/979160906.db2.gz GKEOBLYUVBDJTE-UHFFFAOYSA-N -1 3 407.445 3.772 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)Nc3ccc(C)c(OC)c3C)c2)[n-]1 ZINC000433269102 979204100 /nfs/dbraw/zinc/20/41/00/979204100.db2.gz AYVKZTCXDISPEL-UHFFFAOYSA-N -1 3 423.473 3.596 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)Nc3ccc(C)c(OC)c3C)c2)n[n-]1 ZINC000433269102 979204106 /nfs/dbraw/zinc/20/41/06/979204106.db2.gz AYVKZTCXDISPEL-UHFFFAOYSA-N -1 3 423.473 3.596 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000433461788 979317903 /nfs/dbraw/zinc/31/79/03/979317903.db2.gz GHZMAXRTYKIQCM-LSDHHAIUSA-N -1 3 405.472 3.661 20 0 HHADHM CCNC(=O)N(C)c1cccc(NC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000433505874 979343025 /nfs/dbraw/zinc/34/30/25/979343025.db2.gz CKPRVAJOFCZQPL-UHFFFAOYSA-N -1 3 421.295 3.642 20 0 HHADHM CC(C)[C@@H](C[N-]S(=O)(=O)c1cc(Br)ccc1F)c1cccnc1 ZINC000433763464 979557966 /nfs/dbraw/zinc/55/79/66/979557966.db2.gz VJHHCRVIVFIBPC-CQSZACIVSA-N -1 3 401.301 3.701 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CCCO[C@H]2C(C)(C)C)sc1Br ZINC000433810616 979591753 /nfs/dbraw/zinc/59/17/53/979591753.db2.gz FWNBMOWFZHBOMP-DGCLKSJQSA-N -1 3 410.399 3.939 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]C2CCN(c3ccccc3)CC2)sc1Br ZINC000433811219 979592588 /nfs/dbraw/zinc/59/25/88/979592588.db2.gz OUMAJLVMZYCBTH-UHFFFAOYSA-N -1 3 415.378 3.766 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CC[C@H](c3ccccc3)[C@@H]2C)cc1OC ZINC000434006855 979753617 /nfs/dbraw/zinc/75/36/17/979753617.db2.gz RLDUAEXWXUNCPF-YJBOKZPZSA-N -1 3 417.531 3.867 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)c(C)o1 ZINC000434094311 979843446 /nfs/dbraw/zinc/84/34/46/979843446.db2.gz UZLXKLSXFBDJDM-UHFFFAOYSA-N -1 3 412.895 3.723 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)N(Cc2ccccc2)[C@H](C)c2ccccc2)c(C)o1 ZINC000434099382 979848880 /nfs/dbraw/zinc/84/88/80/979848880.db2.gz IJUQOQPLPLSUDH-MRXNPFEDSA-N -1 3 412.511 3.900 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2nc3ccccc3n2C2CCCCC2)c(C)o1 ZINC000434108641 979859918 /nfs/dbraw/zinc/85/99/18/979859918.db2.gz JGDKLZVSHRXKCD-UHFFFAOYSA-N -1 3 416.503 3.603 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](c2cc3ccccc3o2)c2ccccc2)c(C)o1 ZINC000434110656 979863252 /nfs/dbraw/zinc/86/32/52/979863252.db2.gz DTFUMRUOGHNXCS-OAQYLSRUSA-N -1 3 424.478 3.762 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2Oc2cccc(C)c2)c(C)o1 ZINC000434227913 979998135 /nfs/dbraw/zinc/99/81/35/979998135.db2.gz LYZZLXJNIYDVKE-UHFFFAOYSA-N -1 3 400.456 3.849 20 0 HHADHM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N(C)C2CCN(Cc3ccccc3)CC2)n1 ZINC000434267632 980028566 /nfs/dbraw/zinc/02/85/66/980028566.db2.gz GAJJNPPQILPGKP-UHFFFAOYSA-N -1 3 422.504 3.762 20 0 HHADHM CCSCC[C@@H](C)N(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000434283158 980042692 /nfs/dbraw/zinc/04/26/92/980042692.db2.gz OEYAAWCPZGZGJF-CYBMUJFWSA-N -1 3 413.540 3.558 20 0 HHADHM CCN(C(=O)c1cc(S(=O)(=O)[N-]C)oc1C)C(c1ccccc1)c1ccccc1 ZINC000434339768 980102762 /nfs/dbraw/zinc/10/27/62/980102762.db2.gz BIONVHLMRBCBGY-UHFFFAOYSA-N -1 3 412.511 3.748 20 0 HHADHM O=c1[n-]c(SCc2nccn2-c2ccccc2)nc2c1cnn2-c1ccccc1 ZINC000434642509 980314655 /nfs/dbraw/zinc/31/46/55/980314655.db2.gz IRCAGXCUQQMQAR-UHFFFAOYSA-N -1 3 400.467 3.999 20 0 HHADHM CCN1CC[C@H]2CC[C@@H](C1)N2Cc1nc(=O)c2sc(-c3ccc(OC)cc3)cc2[n-]1 ZINC000435000390 980560252 /nfs/dbraw/zinc/56/02/52/980560252.db2.gz NLOMFAOQPZEYGP-SJORKVTESA-N -1 3 424.570 3.719 20 0 HHADHM CC(C)Cc1nnc([N-]C(=O)c2cc(I)c(F)cc2F)s1 ZINC000435183182 980704663 /nfs/dbraw/zinc/70/46/63/980704663.db2.gz XOCGRSMMWVQKOO-UHFFFAOYSA-N -1 3 423.226 3.872 20 0 HHADHM O=S(=O)([N-]CCc1c[nH]c2cc(F)ccc12)c1cc(F)ccc1Br ZINC000435207004 980721964 /nfs/dbraw/zinc/72/19/64/980721964.db2.gz JVGASKXGQSUCCV-UHFFFAOYSA-N -1 3 415.259 3.730 20 0 HHADHM Cc1cccc2c(CC[N-]S(=O)(=O)c3cc(F)ccc3Br)c[nH]c21 ZINC000435209930 980723627 /nfs/dbraw/zinc/72/36/27/980723627.db2.gz YZSXTELKXGTMKF-UHFFFAOYSA-N -1 3 411.296 3.899 20 0 HHADHM CCN(CC)[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1Br)c1ccco1 ZINC000435217981 980728753 /nfs/dbraw/zinc/72/87/53/980728753.db2.gz UUHNRYHEDXHQDG-AWEZNQCLSA-N -1 3 419.316 3.543 20 0 HHADHM CN1CC[C@H]([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)[C@H]1c1ccccc1 ZINC000435429590 980858163 /nfs/dbraw/zinc/85/81/63/980858163.db2.gz YBJFIYATUVSMPH-JKSUJKDBSA-N -1 3 403.306 3.856 20 0 HHADHM COc1ccc(NC(=O)[C@@H]2CCCCO2)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000435430794 980858786 /nfs/dbraw/zinc/85/87/86/980858786.db2.gz FTNNINAYVPCHEH-KRWDZBQOSA-N -1 3 424.906 3.657 20 0 HHADHM CC(C)c1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435432940 980860084 /nfs/dbraw/zinc/86/00/84/980860084.db2.gz PGBGYWVDOFQHKT-LBPRGKRZSA-N -1 3 407.298 3.661 20 0 HHADHM Cc1conc1[N-]C(=O)c1cc2cc(Br)cc(Br)c2o1 ZINC000435719340 981001436 /nfs/dbraw/zinc/00/14/36/981001436.db2.gz LJSRSMFJGSRDLC-UHFFFAOYSA-N -1 3 400.026 4.507 20 0 HHADHM COc1ccc(OC)c(S(=O)(=O)[N-]c2cc3c(cc2Br)CCC3)c1 ZINC000435737171 981009726 /nfs/dbraw/zinc/00/97/26/981009726.db2.gz FLEZICXNYLNYBN-UHFFFAOYSA-N -1 3 412.305 3.756 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)C1(OCc2ccccc2)CCOCC1 ZINC000435936831 981102232 /nfs/dbraw/zinc/10/22/32/981102232.db2.gz NUJKVABVPWUARR-UHFFFAOYSA-N -1 3 420.303 3.537 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3C[C@H](C)[C@H](C)C3)ccc2C)cc1 ZINC000435958995 981113306 /nfs/dbraw/zinc/11/33/06/981113306.db2.gz XGMHBODYUQHZDR-IYBDPMFKSA-N -1 3 402.516 3.532 20 0 HHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N(CCn1ccnc1)Cc1cccc(Cl)c1 ZINC000436016358 981156736 /nfs/dbraw/zinc/15/67/36/981156736.db2.gz QIUXEDYORCXBQQ-UHFFFAOYSA-N -1 3 406.873 3.721 20 0 HHADHM COc1cc(F)c([N-]S(=O)(=O)c2cc(C)cc(Br)c2)cc1OC ZINC000436024744 981163642 /nfs/dbraw/zinc/16/36/42/981163642.db2.gz TVJPMXYWMHLTLD-UHFFFAOYSA-N -1 3 404.257 3.715 20 0 HHADHM C[C@@H]([N-]S(=O)(=O)Cc1cccc2cccnc21)c1nc(C2CCCCC2)no1 ZINC000436174247 981234521 /nfs/dbraw/zinc/23/45/21/981234521.db2.gz UWHSHTLSWWWEJR-CQSZACIVSA-N -1 3 400.504 3.846 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3C[C@@H](C)[C@H](C)C3)ccc2C)cc1 ZINC000436182754 981239522 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CELJRSSRHRQEBI-YADHBBJMSA-N -1 3 410.514 3.575 20 0 HHADHM CCO[C@@H]1C[C@@H](NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C12CCC2 ZINC000436526029 981418479 /nfs/dbraw/zinc/41/84/79/981418479.db2.gz IBSKKZRXFRRGED-BHDDXSALSA-N -1 3 422.525 3.717 20 0 HHADHM CCSCC[C@@H](C)NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436526530 981419368 /nfs/dbraw/zinc/41/93/68/981419368.db2.gz JHQDYUWUEATWRI-UZLBHIALSA-N -1 3 400.544 3.901 20 0 HHADHM CS(=O)(=O)Cc1cccc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])c1 ZINC000436529116 981421733 /nfs/dbraw/zinc/42/17/33/981421733.db2.gz AHOMDICWJNKCMH-UHFFFAOYSA-N -1 3 411.479 3.768 20 0 HHADHM CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cc2c(cc1[O-])OCO2 ZINC000436531450 981423465 /nfs/dbraw/zinc/42/34/65/981423465.db2.gz SOZKTXOTEOUFRE-UHFFFAOYSA-N -1 3 415.833 3.877 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCc2cccc(F)c2C1 ZINC000436532874 981424289 /nfs/dbraw/zinc/42/42/89/981424289.db2.gz IGPZKVHHIBSLBO-HSZRJFAPSA-N -1 3 418.468 3.977 20 0 HHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)C1(Cc2cccc(F)c2)CCC1 ZINC000436539643 981429845 /nfs/dbraw/zinc/42/98/45/981429845.db2.gz WVYDZQLDTQVUBN-UHFFFAOYSA-N -1 3 410.489 3.665 20 0 HHADHM O=C(NCCCc1nnc2ccccn21)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436541854 981431188 /nfs/dbraw/zinc/43/11/88/981431188.db2.gz ZKJYSABAQDIGBP-UHFFFAOYSA-N -1 3 400.482 3.583 20 0 HHADHM O=C(c1cc(Cl)c2ccccc2c1[O-])N1CCC(CCN2CCOCC2)CC1 ZINC000436541853 981431240 /nfs/dbraw/zinc/43/12/40/981431240.db2.gz ZJCSSEFHUSKFIM-UHFFFAOYSA-N -1 3 402.922 3.773 20 0 HHADHM O=C(Nc1ccn(CCc2ccncc2)n1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436542437 981431979 /nfs/dbraw/zinc/43/19/79/981431979.db2.gz CASNJGWJXNALNV-UHFFFAOYSA-N -1 3 400.438 4.271 20 0 HHADHM Cc1ccc(C(=O)N(C)CC2CCC(NC(=O)c3ccc(C)cc3O)CC2)c([O-])c1 ZINC000436547434 981435007 /nfs/dbraw/zinc/43/50/07/981435007.db2.gz XNUSMBDFBXJKQS-UHFFFAOYSA-N -1 3 410.514 3.775 20 0 HHADHM Cc1ccc(C(=O)NC2CCC(CN(C)C(=O)c3ccc(C)cc3O)CC2)c([O-])c1 ZINC000436547434 981435011 /nfs/dbraw/zinc/43/50/11/981435011.db2.gz XNUSMBDFBXJKQS-UHFFFAOYSA-N -1 3 410.514 3.775 20 0 HHADHM O=C(Nc1cccc(C[S@](=O)Cc2ccccc2)c1)c1cc2c(cc1[O-])OCO2 ZINC000436551506 981437269 /nfs/dbraw/zinc/43/72/69/981437269.db2.gz ZWFYRVMTOLKEQI-GDLZYMKVSA-N -1 3 409.463 3.822 20 0 HHADHM O=C(NCCCc1nnc2n1CCCCC2)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436552612 981438143 /nfs/dbraw/zinc/43/81/43/981438143.db2.gz XWTZMXXUNDJWJZ-UHFFFAOYSA-N -1 3 406.486 3.865 20 0 HHADHM O=C(NCc1ccccn1)c1cccc(NC(=O)c2cc3c(cc2[O-])CCCC3)c1 ZINC000436553636 981438476 /nfs/dbraw/zinc/43/84/76/981438476.db2.gz DQVMUNMDYFSRGB-UHFFFAOYSA-N -1 3 401.466 3.848 20 0 HHADHM CC1(C)Cc2ccc(C(=O)Nc3ccc(Cl)c(C(=O)NC4CC4)c3)c([O-])c2O1 ZINC000436554078 981439644 /nfs/dbraw/zinc/43/96/44/981439644.db2.gz GSBXVEVLIVBMJQ-UHFFFAOYSA-N -1 3 400.862 3.904 20 0 HHADHM CS[C@H]1CCCCN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000436554192 981439816 /nfs/dbraw/zinc/43/98/16/981439816.db2.gz DYAIXMCAQUMHFH-LEWJYISDSA-N -1 3 412.555 3.998 20 0 HHADHM CCN(Cc1ccccn1)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436554986 981440257 /nfs/dbraw/zinc/44/02/57/981440257.db2.gz HJCGLDLALMYSLF-QFIPXVFZSA-N -1 3 403.482 3.697 20 0 HHADHM Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436555536 981440874 /nfs/dbraw/zinc/44/08/74/981440874.db2.gz LAHJAUYALHJONM-UHFFFAOYSA-N -1 3 422.403 3.959 20 0 HHADHM O=c1c2ccccc2ncn1CCc1noc(-c2cc(Cc3ccccc3)ccc2[O-])n1 ZINC000436560507 981444739 /nfs/dbraw/zinc/44/47/39/981444739.db2.gz DHZFBQDNQXOQAU-UHFFFAOYSA-N -1 3 424.460 3.986 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H](C(F)(F)F)[C@H]2C)c1 ZINC000436560939 981444786 /nfs/dbraw/zinc/44/47/86/981444786.db2.gz DMVRCHLPUMOIJX-MEBBXXQBSA-N -1 3 411.380 3.744 20 0 HHADHM CC(C)C[C@@H]1OCCC[C@H]1NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436560422 981444868 /nfs/dbraw/zinc/44/48/68/981444868.db2.gz FQLPFCRAHQRQOU-VJBWXMMDSA-N -1 3 424.541 3.963 20 0 HHADHM CC(C)[C@@H]1C[C@H](NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCO1 ZINC000436560994 981445523 /nfs/dbraw/zinc/44/55/23/981445523.db2.gz ALSSSTXEZPISOX-FCEUIQTBSA-N -1 3 410.514 3.573 20 0 HHADHM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc2ccccc2c1[O-] ZINC000436573963 981453418 /nfs/dbraw/zinc/45/34/18/981453418.db2.gz KLLGQXACYPXOAY-UHFFFAOYSA-N -1 3 405.498 3.948 20 0 HHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCN(Cc2cccc(O)c2)CC1 ZINC000436576024 981454879 /nfs/dbraw/zinc/45/48/79/981454879.db2.gz KBWBNIHRZHHMHS-UHFFFAOYSA-N -1 3 402.494 3.647 20 0 HHADHM CS(=O)(=O)c1cccc([C@H](NC(=O)c2ccccc2[O-])c2ccc(F)c(F)c2)c1 ZINC000436577634 981455809 /nfs/dbraw/zinc/45/58/09/981455809.db2.gz ULMDXACRPLFSOH-FQEVSTJZSA-N -1 3 417.433 3.593 20 0 HHADHM CS(=O)(=O)c1cccc([C@@H](NC(=O)c2ccccc2[O-])c2ccc(Cl)cc2)c1 ZINC000436579257 981457343 /nfs/dbraw/zinc/45/73/43/981457343.db2.gz YUCYPAQSRURKCT-FQEVSTJZSA-N -1 3 415.898 3.969 20 0 HHADHM CCc1c(NC(=O)CCNC(=O)c2ccc(C)cc2[O-])cnn1-c1cccc(C)c1 ZINC000436598454 981466949 /nfs/dbraw/zinc/46/69/49/981466949.db2.gz ZHZMNLZQKWZBEG-UHFFFAOYSA-N -1 3 406.486 3.516 20 0 HHADHM CC1(C)CN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C[C@]2(CCCOC2)O1 ZINC000436607993 981471754 /nfs/dbraw/zinc/47/17/54/981471754.db2.gz TTZSSCQRTZPMDX-VWLOTQADSA-N -1 3 409.526 3.978 20 0 HHADHM CC(=O)c1ccc(C(=O)NCc2cccc(NC(=O)c3cccc(F)c3)c2)cc1[O-] ZINC000436611070 981473561 /nfs/dbraw/zinc/47/35/61/981473561.db2.gz YNRBLLBXALTXAL-UHFFFAOYSA-N -1 3 406.413 3.916 20 0 HHADHM O=C(Nc1ccc(Br)cc1F)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436610734 981473579 /nfs/dbraw/zinc/47/35/79/981473579.db2.gz UVILSDOPMANNSS-OAHLLOKOSA-N -1 3 407.239 3.537 20 0 HHADHM O=C(Nc1cccc(Cn2cccnc2=O)c1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436618515 981477927 /nfs/dbraw/zinc/47/79/27/981477927.db2.gz RUMMZHBVZSFTBS-UHFFFAOYSA-N -1 3 411.461 3.840 20 0 HHADHM CN(C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1ccc2c(c1)OCO2 ZINC000436621406 981479006 /nfs/dbraw/zinc/47/90/06/981479006.db2.gz BJCGLGGDVRSPHS-FQEVSTJZSA-N -1 3 418.449 3.645 20 0 HHADHM O=C(Nc1cccc(OCc2cscn2)c1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436622557 981479788 /nfs/dbraw/zinc/47/97/88/981479788.db2.gz DGQLQJXNZLOZBP-LJQANCHMSA-N -1 3 423.494 3.671 20 0 HHADHM C[C@@H](CC(=O)c1ccco1)NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436623012 981480209 /nfs/dbraw/zinc/48/02/09/981480209.db2.gz FOVKWLDACUAIBB-OXJNMPFZSA-N -1 3 420.465 3.624 20 0 HHADHM CCCCNC(=O)[C@H]1CCCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC000436623641 981480262 /nfs/dbraw/zinc/48/02/62/981480262.db2.gz IPQCJNJDAJJAID-NRFANRHFSA-N -1 3 408.542 3.946 20 0 HHADHM O=C(N[C@H]1CCCc2cn(C3CCCC3)nc21)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436624802 981480880 /nfs/dbraw/zinc/48/08/80/981480880.db2.gz AQCVWWZJXWAGEU-VQTJNVASSA-N -1 3 422.529 3.502 20 0 HHADHM Cc1ccnc(Oc2ccc(NC(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])cc2)n1 ZINC000436624640 981480945 /nfs/dbraw/zinc/48/09/45/981480945.db2.gz KJZMXIFFHUAUGB-LJQANCHMSA-N -1 3 418.453 3.526 20 0 HHADHM O=C(Nc1cccc(Br)c1)C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436627759 981481999 /nfs/dbraw/zinc/48/19/99/981481999.db2.gz VDOGRWXGAQABLG-UHFFFAOYSA-N -1 3 403.276 3.646 20 0 HHADHM CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436626694 981482044 /nfs/dbraw/zinc/48/20/44/981482044.db2.gz QFNBWEWAEHHVKF-DJKXOVBDSA-N -1 3 416.905 3.543 20 0 HHADHM Cc1coc(-c2cc(NC(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])ccc2C)n1 ZINC000436631786 981483846 /nfs/dbraw/zinc/48/38/46/981483846.db2.gz WXBFURHKLXFNOH-IBGZPJMESA-N -1 3 405.454 3.907 20 0 HHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@H](C)Cc3cccs3)cs2)c1 ZINC000436633199 981484328 /nfs/dbraw/zinc/48/43/28/981484328.db2.gz JETAFDVWSPETNQ-CYBMUJFWSA-N -1 3 415.540 3.761 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)NC(c2cccs2)c2cccs2)c([O-])c1 ZINC000436637042 981487176 /nfs/dbraw/zinc/48/71/76/981487176.db2.gz UHKXTMUBSZTGRO-UHFFFAOYSA-N -1 3 400.525 3.849 20 0 HHADHM CC[C@@H](NC(=O)CCNC(=O)c1ccc(C)cc1[O-])c1nc(C(F)(F)F)cs1 ZINC000436639419 981488318 /nfs/dbraw/zinc/48/83/18/981488318.db2.gz OZMXRCQJWHOSOX-GFCCVEGCSA-N -1 3 415.437 3.563 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)N[C@H](c2cccc(Cl)c2)c2ccccn2)c([O-])c1 ZINC000436640272 981489141 /nfs/dbraw/zinc/48/91/41/981489141.db2.gz UXLGPPUAUWBZHR-JOCHJYFZSA-N -1 3 423.900 3.775 20 0 HHADHM COc1cc(Cl)c(Cl)cc1NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436641731 981489467 /nfs/dbraw/zinc/48/94/67/981489467.db2.gz CYKVCAWJXUHTKN-UHFFFAOYSA-N -1 3 424.284 3.698 20 0 HHADHM O=C(NCCNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc([O-])cc1 ZINC000436643927 981490317 /nfs/dbraw/zinc/49/03/17/981490317.db2.gz RLDMYEAXSVVXFO-UHFFFAOYSA-N -1 3 420.309 3.590 20 0 HHADHM O=C(c1occc1CSc1ccccc1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436655422 981494617 /nfs/dbraw/zinc/49/46/17/981494617.db2.gz MMYMIGPWXBIKGR-UHFFFAOYSA-N -1 3 422.506 3.876 20 0 HHADHM O=C(Nc1cccc(OCC(F)(F)F)c1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436656219 981494704 /nfs/dbraw/zinc/49/47/04/981494704.db2.gz PRLLQXMJLFAMSZ-INIZCTEOSA-N -1 3 408.376 3.577 20 0 HHADHM CCCCn1ncc(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c1C(C)C ZINC000436663492 981499309 /nfs/dbraw/zinc/49/93/09/981499309.db2.gz MBIFLSDKYWLSMZ-UHFFFAOYSA-N -1 3 413.522 3.502 20 0 HHADHM COc1ccc([C@@H](C)CCNC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])cc1 ZINC000436668305 981501411 /nfs/dbraw/zinc/50/14/11/981501411.db2.gz BIYKUFIRVDDCFE-AWEZNQCLSA-N -1 3 423.469 3.873 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCCCCN(C)c2ccccc2)c1 ZINC000436670511 981502494 /nfs/dbraw/zinc/50/24/94/981502494.db2.gz GOAAZJCTYJQRTO-UHFFFAOYSA-N -1 3 422.485 3.587 20 0 HHADHM COc1ccc(C(=O)NC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c([O-])c1 ZINC000436671442 981503289 /nfs/dbraw/zinc/50/32/89/981503289.db2.gz JFZHDMVGWBIPIS-UHFFFAOYSA-N -1 3 408.420 3.814 20 0 HHADHM O=C(Nc1ccc(F)cc1C(F)(F)F)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436672189 981504036 /nfs/dbraw/zinc/50/40/36/981504036.db2.gz BDNBJNHHCSCYEQ-UHFFFAOYSA-N -1 3 411.355 3.540 20 0 HHADHM COCC[C@H](NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C(C)(C)C ZINC000436675841 981506037 /nfs/dbraw/zinc/50/60/37/981506037.db2.gz MCRADQLOFTVSRN-RTWAWAEBSA-N -1 3 412.530 3.821 20 0 HHADHM O=C(NCCNC(=O)[C@@H](Oc1ccc(Cl)cc1)c1ccccc1)c1ccc([O-])cc1 ZINC000436678952 981507486 /nfs/dbraw/zinc/50/74/86/981507486.db2.gz DYCSEHYSVIGPST-NRFANRHFSA-N -1 3 424.884 3.712 20 0 HHADHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CCC(c2c(F)cccc2F)CC1 ZINC000436679470 981508172 /nfs/dbraw/zinc/50/81/72/981508172.db2.gz LAPGOXLZYBBJDC-IBGZPJMESA-N -1 3 414.452 3.681 20 0 HHADHM COc1cc(-c2nc(Cc3ccc(Oc4ncccn4)cc3)no2)cc(OC)c1[O-] ZINC000436686001 981511764 /nfs/dbraw/zinc/51/17/64/981511764.db2.gz DGJJRXAUFKWNOJ-UHFFFAOYSA-N -1 3 406.398 3.633 20 0 HHADHM COc1cc(-c2nc(-c3cccc(OCCOC(C)(C)C)n3)no2)cc(OC)c1[O-] ZINC000436685854 981511800 /nfs/dbraw/zinc/51/18/00/981511800.db2.gz CLOWDCVBXKUUGL-UHFFFAOYSA-N -1 3 415.446 3.715 20 0 HHADHM Cc1ccc(C(=O)NCCc2nc(-c3cccc(-c4cscn4)c3)no2)c([O-])c1 ZINC000436688222 981513221 /nfs/dbraw/zinc/51/32/21/981513221.db2.gz JYBAQKCJXYBUAR-UHFFFAOYSA-N -1 3 406.467 3.847 20 0 HHADHM COCCCOc1cc(C)ccc1-c1noc(-c2cc(OC)c([O-])c(OC)c2)n1 ZINC000436693019 981515956 /nfs/dbraw/zinc/51/59/56/981515956.db2.gz ZZHYIRUNZZQNAD-UHFFFAOYSA-N -1 3 400.431 3.850 20 0 HHADHM CSc1cc(Br)ccc1CN1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436698293 981519162 /nfs/dbraw/zinc/51/91/62/981519162.db2.gz XIKYWUIPYWKEOK-UHFFFAOYSA-N -1 3 421.360 3.835 20 0 HHADHM O=C(NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1cc2c(cc1[O-])OCO2 ZINC000436699540 981519763 /nfs/dbraw/zinc/51/97/63/981519763.db2.gz UWQPIFGIZQGPNS-UHFFFAOYSA-N -1 3 423.296 3.822 20 0 HHADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1cncc(-n2ccnn2)c1 ZINC000436701682 981520826 /nfs/dbraw/zinc/52/08/26/981520826.db2.gz FDWYTOBEBLMHOG-UHFFFAOYSA-N -1 3 414.450 3.897 20 0 HHADHM CCC1(CNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCOCC1 ZINC000436705116 981522120 /nfs/dbraw/zinc/52/21/20/981522120.db2.gz NXLFVAMLOJABQJ-NRFANRHFSA-N -1 3 410.514 3.576 20 0 HHADHM C[C@@H]1CN(C(=O)c2cc3c(cc2[O-])OCO3)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000436707810 981522719 /nfs/dbraw/zinc/52/27/19/981522719.db2.gz HHUZBUPYUSFYML-ADLMAVQZSA-N -1 3 409.360 3.742 20 0 HHADHM O=C(Nc1cccc(OCc2cccnc2)c1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436707361 981522888 /nfs/dbraw/zinc/52/28/88/981522888.db2.gz GKFWONDAWPREEZ-OAQYLSRUSA-N -1 3 417.465 3.610 20 0 HHADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1cnc2[nH]c(=O)[nH]c2c1 ZINC000436709484 981524216 /nfs/dbraw/zinc/52/42/16/981524216.db2.gz XTPZYDLHVAPANB-UHFFFAOYSA-N -1 3 403.423 3.898 20 0 HHADHM O=C(N[C@H]1CCC[C@H](c2ccccc2)C1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436711873 981525459 /nfs/dbraw/zinc/52/54/59/981525459.db2.gz CEAGHXHBMZHHDU-SFTDATJTSA-N -1 3 407.514 3.586 20 0 HHADHM O=C(N[C@@H]1CCC[C@@H](c2ccccc2)C1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436711869 981525510 /nfs/dbraw/zinc/52/55/10/981525510.db2.gz CEAGHXHBMZHHDU-NHCUHLMSSA-N -1 3 407.514 3.586 20 0 HHADHM C[C@H](NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccccc1C(F)(F)F ZINC000436713616 981526237 /nfs/dbraw/zinc/52/62/37/981526237.db2.gz FTGLKFCBDOWSQS-AWEZNQCLSA-N -1 3 421.419 3.640 20 0 HHADHM O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436721681 981531270 /nfs/dbraw/zinc/53/12/70/981531270.db2.gz HIYWUYTYGKNOJF-SFHVURJKSA-N -1 3 406.448 3.791 20 0 HHADHM Cc1cccc(C(=O)Nc2ccc(CN3CCN(c4ccccn4)CC3)cc2)c1[O-] ZINC000436726362 981533214 /nfs/dbraw/zinc/53/32/14/981533214.db2.gz ULXFFALAVPMFDF-UHFFFAOYSA-N -1 3 402.498 3.670 20 0 HHADHM CCN(CCNC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-])c1cccc(C)c1 ZINC000436730145 981535575 /nfs/dbraw/zinc/53/55/75/981535575.db2.gz VJLLCTYQHBCFDC-UHFFFAOYSA-N -1 3 422.485 3.506 20 0 HHADHM Cc1ccc(NC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1OC(C)C ZINC000436729915 981535660 /nfs/dbraw/zinc/53/56/60/981535660.db2.gz UMDOXGDFTOWFNR-UHFFFAOYSA-N -1 3 411.502 3.914 20 0 HHADHM CN(CCCN(C)C(=O)c1cc(Br)cc(Cl)c1[O-])Cc1ccco1 ZINC000436732520 981536896 /nfs/dbraw/zinc/53/68/96/981536896.db2.gz UQSQNRQPBDELOH-UHFFFAOYSA-N -1 3 415.715 3.995 20 0 HHADHM CN(CCN1C(=O)c2ccccc2C1=O)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436734512 981537554 /nfs/dbraw/zinc/53/75/54/981537554.db2.gz AGUDJNRPZXYOPP-UHFFFAOYSA-N -1 3 416.433 3.553 20 0 HHADHM O=C(NCc1ccncc1OC[C@@H]1CCOC1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436741187 981540010 /nfs/dbraw/zinc/54/00/10/981540010.db2.gz SAZCMWYKRWUOID-HXUWFJFHSA-N -1 3 418.493 3.723 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1Cc2ccccc2CO1 ZINC000436743095 981541309 /nfs/dbraw/zinc/54/13/09/981541309.db2.gz GNNULDCQAQZJQN-QFIPXVFZSA-N -1 3 402.450 3.727 20 0 HHADHM CCCn1ccc2cc(NC(=O)N3CCN(C(=O)c4ccc([O-])cc4)CC3)ccc21 ZINC000436745344 981542178 /nfs/dbraw/zinc/54/21/78/981542178.db2.gz BSXKVOCRBOOBEP-UHFFFAOYSA-N -1 3 406.486 3.747 20 0 HHADHM COc1ccc(-c2csc3ncnc(NCCNC(=O)c4ccc([O-])cc4)c23)cc1 ZINC000436752877 981546162 /nfs/dbraw/zinc/54/61/62/981546162.db2.gz ZFKDBCYHXGZLRN-UHFFFAOYSA-N -1 3 420.494 3.914 20 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ZINC000436781424 981558634 /nfs/dbraw/zinc/55/86/34/981558634.db2.gz TZLPDZWCLMMZEA-UHFFFAOYSA-N -1 3 412.273 3.649 20 0 HHADHM O=C(c1ccccc1[O-])N1CCN(C(=O)C2(c3c(Cl)cccc3Cl)CC2)CC1 ZINC000436823303 981577117 /nfs/dbraw/zinc/57/71/17/981577117.db2.gz ADENHXHKMYWNRJ-UHFFFAOYSA-N -1 3 419.308 3.715 20 0 HHADHM CC(C)N1CCCN(C(=O)c2ccsc2NC(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000436826830 981578509 /nfs/dbraw/zinc/57/85/09/981578509.db2.gz REYSKJIXVLDCPK-UHFFFAOYSA-N -1 3 421.950 3.916 20 0 HHADHM O=C(CCSc1ccccc1Cl)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436838630 981584410 /nfs/dbraw/zinc/58/44/10/981584410.db2.gz JYVBXFJONMAZGB-UHFFFAOYSA-N -1 3 418.946 3.949 20 0 HHADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2ccc(Br)c(Cl)c2)CC1 ZINC000436841521 981585515 /nfs/dbraw/zinc/58/55/15/981585515.db2.gz AZEKNQQFOHIPRW-UHFFFAOYSA-N -1 3 409.711 3.766 20 0 HHADHM C[C@@H](c1nc2ccccc2n1C(F)F)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436846786 981587702 /nfs/dbraw/zinc/58/77/02/981587702.db2.gz YIRRCCHMOMNUOO-AWEZNQCLSA-N -1 3 400.429 3.656 20 0 HHADHM CN(Cc1cccc(Br)c1OCC(C)(C)O)C(=O)c1ccccc1[O-] ZINC000436865279 981596697 /nfs/dbraw/zinc/59/66/97/981596697.db2.gz QSQKWLFCNPQYGB-UHFFFAOYSA-N -1 3 408.292 3.577 20 0 HHADHM C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])c1ccc(-c2cccnc2)cc1 ZINC000436868264 981597432 /nfs/dbraw/zinc/59/74/32/981597432.db2.gz HZPSEELSPQRZFQ-JTSKRJEESA-N -1 3 415.493 3.936 20 0 HHADHM COc1cc(C2(C(=O)N3CCN(C(=O)c4ccc([O-])cc4)CC3)CCCC2)ccc1C ZINC000436886246 981601443 /nfs/dbraw/zinc/60/14/43/981601443.db2.gz RLBSZZTXXMGQDP-UHFFFAOYSA-N -1 3 422.525 3.506 20 0 HHADHM O=C(NCCNC(=O)c1cccc(Oc2ccc(Cl)cc2)c1)c1ccc([O-])cc1 ZINC000436888315 981602217 /nfs/dbraw/zinc/60/22/17/981602217.db2.gz SSWIKFFJJDSUTL-UHFFFAOYSA-N -1 3 410.857 3.998 20 0 HHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000436889128 981602493 /nfs/dbraw/zinc/60/24/93/981602493.db2.gz PLNSUWFBGNIDNQ-OFNKIYASSA-N -1 3 418.537 3.793 20 0 HHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1cccc(C(F)(F)F)c1F ZINC000436891578 981603517 /nfs/dbraw/zinc/60/35/17/981603517.db2.gz GYGXQCBBBABWAK-UHFFFAOYSA-N -1 3 410.367 3.585 20 0 HHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000436896205 981605146 /nfs/dbraw/zinc/60/51/46/981605146.db2.gz MDVHATWYKCOYHP-PXNSSMCTSA-N -1 3 407.432 3.953 20 0 HHADHM CC(=O)Nc1cccc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC000436901658 981607767 /nfs/dbraw/zinc/60/77/67/981607767.db2.gz HOPQDDSKYOTXNL-QFIPXVFZSA-N -1 3 417.465 3.851 20 0 HHADHM Cn1cc(Br)c(=O)c(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])c1 ZINC000436902442 981608536 /nfs/dbraw/zinc/60/85/36/981608536.db2.gz PZDADKHDKHEHIX-UHFFFAOYSA-N -1 3 413.271 3.697 20 0 HHADHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CC=C(c2c(F)cccc2F)CC1 ZINC000436903387 981609264 /nfs/dbraw/zinc/60/92/64/981609264.db2.gz MPKLOHXUFOJLDI-IBGZPJMESA-N -1 3 412.436 3.591 20 0 HHADHM CN(CCOc1ccccc1)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436904005 981610020 /nfs/dbraw/zinc/61/00/20/981610020.db2.gz OSGGKCFMXSOLQT-HSZRJFAPSA-N -1 3 418.493 3.791 20 0 HHADHM C[C@@H](CCc1ccco1)NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436904377 981610150 /nfs/dbraw/zinc/61/01/50/981610150.db2.gz PQIOXNLIYYMGNB-JTSKRJEESA-N -1 3 406.482 3.984 20 0 HHADHM O=C(N[C@H](CCc1ccccc1)C(F)(F)F)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436905376 981610915 /nfs/dbraw/zinc/61/09/15/981610915.db2.gz NZFPPXMAJZRAJE-PKOBYXMFSA-N -1 3 420.431 3.677 20 0 HHADHM O=C(N[C@@H](CCc1ccccc1)C(F)(F)F)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436905374 981610997 /nfs/dbraw/zinc/61/09/97/981610997.db2.gz NZFPPXMAJZRAJE-MJGOQNOKSA-N -1 3 420.431 3.677 20 0 HHADHM COc1ccccc1CCNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436904900 981611078 /nfs/dbraw/zinc/61/10/78/981611078.db2.gz QZIGETBYCIIWFH-QFIPXVFZSA-N -1 3 418.493 3.621 20 0 HHADHM Cc1cc([C@@H]2CCCN2C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)on1 ZINC000436905878 981611772 /nfs/dbraw/zinc/61/17/72/981611772.db2.gz BMEPKIZYOKIPRT-RTWAWAEBSA-N -1 3 419.481 3.914 20 0 HHADHM CN(C(=O)c1ccc(NC(=O)c2cc(F)c([O-])c(Cl)c2)cc1)[C@H]1CCCN(C)C1 ZINC000436908327 981613940 /nfs/dbraw/zinc/61/39/40/981613940.db2.gz IDSFFDPDOLIAEE-INIZCTEOSA-N -1 3 419.884 3.603 20 0 HHADHM CN(CCc1ccccc1)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436910696 981617057 /nfs/dbraw/zinc/61/70/57/981617057.db2.gz DEZALFVGARAMAK-QHCPKHFHSA-N -1 3 402.494 3.955 20 0 HHADHM C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436913411 981619286 /nfs/dbraw/zinc/61/92/86/981619286.db2.gz GBFZURFAVHIZHJ-MRXNPFEDSA-N -1 3 415.449 3.713 20 0 HHADHM CN(Cc1ccc(O)cc1)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436913995 981620329 /nfs/dbraw/zinc/62/03/29/981620329.db2.gz XKJFYWMDBVQHER-JOCHJYFZSA-N -1 3 404.466 3.618 20 0 HHADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)c2ccc(Sc3ccccn3)cc2)CC1 ZINC000436915451 981621363 /nfs/dbraw/zinc/62/13/63/981621363.db2.gz QJISIAOSCNXBRL-UHFFFAOYSA-N -1 3 419.506 3.537 20 0 HHADHM COC[C@@H](NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1ccccc1 ZINC000436920568 981624441 /nfs/dbraw/zinc/62/44/41/981624441.db2.gz HDAXRPLQMJRPKX-DHIUTWEWSA-N -1 3 418.493 3.757 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@H]1CCc2c1cccc2O ZINC000436922031 981626299 /nfs/dbraw/zinc/62/62/99/981626299.db2.gz LXFMSIICOJNZFI-VXKWHMMOSA-N -1 3 416.477 3.763 20 0 HHADHM CC(C)(C)CC[C@@H](CO)NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436924192 981627167 /nfs/dbraw/zinc/62/71/67/981627167.db2.gz BNGKHPWIFYVDEO-FPOVZHCZSA-N -1 3 412.530 3.557 20 0 HHADHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1cccc(COc2ccc(F)cc2)c1 ZINC000436925441 981627967 /nfs/dbraw/zinc/62/79/67/981627967.db2.gz ZXRIAJGZQCDZBZ-UHFFFAOYSA-N -1 3 423.444 3.662 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCCc2occc2C1 ZINC000436924878 981628001 /nfs/dbraw/zinc/62/80/01/981628001.db2.gz HAYDTEYCMQKAAQ-NRFANRHFSA-N -1 3 404.466 3.821 20 0 HHADHM C[C@@H]1Oc2ccccc2[C@H]1NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436928016 981629345 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400.438 3.797 20 0 HHADHM Cc1ccc(C(=O)CCCCC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436943507 981636844 /nfs/dbraw/zinc/63/68/44/981636844.db2.gz ZXDQVJVBPHGZBV-UHFFFAOYSA-N -1 3 422.525 3.865 20 0 HHADHM CC(C)c1cccc(O[C@@H](C)C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000436945166 981637767 /nfs/dbraw/zinc/63/77/67/981637767.db2.gz MFNVUOVIUPPOPO-KRWDZBQOSA-N -1 3 410.514 3.704 20 0 HHADHM C[C@H](C(=O)Nc1cccc(NC(=O)c2ccc3c(c2[O-])CCCC3)c1)n1cccn1 ZINC000436946449 981638399 /nfs/dbraw/zinc/63/83/99/981638399.db2.gz AXNMDMIPFJNIHL-OAHLLOKOSA-N -1 3 404.470 3.920 20 0 HHADHM [O-]c1cc2c(cc1-c1nc(-c3cc(Cl)ccc3O[C@@H]3CCOC3)no1)OCO2 ZINC000436952068 981642313 /nfs/dbraw/zinc/64/23/13/981642313.db2.gz UOTBZTHWRVSTIA-LLVKDONJSA-N -1 3 402.790 3.659 20 0 HHADHM O=C(NCC[C@@H](c1ccccc1)C(F)(F)F)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436955374 981645217 /nfs/dbraw/zinc/64/52/17/981645217.db2.gz KJUOYICEVWYQHK-ROUUACIJSA-N -1 3 420.431 3.849 20 0 HHADHM CSc1ccc(F)cc1CNC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000436968548 981654720 /nfs/dbraw/zinc/65/47/20/981654720.db2.gz VZLPTFIGAPXOBO-UHFFFAOYSA-N -1 3 415.446 3.732 20 0 HHADHM Cc1cc(NC(=O)c2cc(F)c([O-])c(F)c2)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000436968933 981655517 /nfs/dbraw/zinc/65/55/17/981655517.db2.gz WEXLDYQPHXSQTF-KRWDZBQOSA-N -1 3 412.440 3.875 20 0 HHADHM COc1ccc(CNC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])cc1Cl ZINC000436977608 981661839 /nfs/dbraw/zinc/66/18/39/981661839.db2.gz RZYLLEFYWZQSLQ-UHFFFAOYSA-N -1 3 415.833 3.533 20 0 HHADHM CCOc1ccc2c(c1)CCN(C(=O)c1cc(NC(=O)c3cnoc3C)ccc1[O-])C2 ZINC000436979318 981663724 /nfs/dbraw/zinc/66/37/24/981663724.db2.gz YBWIQYPIVMYFHL-UHFFFAOYSA-N -1 3 421.453 3.538 20 0 HHADHM CS[C@H]1CCCCN(C(=O)Cc2csc(NC(=O)c3cc(C)ccc3[O-])n2)C1 ZINC000436980446 981664517 /nfs/dbraw/zinc/66/45/17/981664517.db2.gz QCKURUXTRNINMI-HNNXBMFYSA-N -1 3 419.572 3.696 20 0 HHADHM CC(C)Cc1ncc(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cn1 ZINC000437000133 981677507 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3.816 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H](O)C3CCCCC3)cc2)cc1 ZINC000437640965 982260083 /nfs/dbraw/zinc/26/00/83/982260083.db2.gz IXLAVEWDFRYLDH-FQEVSTJZSA-N -1 3 402.516 3.676 20 0 HHADHM CCc1ccnc(CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)c1 ZINC000437726428 982320780 /nfs/dbraw/zinc/32/07/80/982320780.db2.gz ZTEYNPYEVFFKPS-UHFFFAOYSA-N -1 3 413.474 3.514 20 0 HHADHM CCc1ncc(S(=O)(=O)[N-][C@H](c2ccc(OC)cc2)c2ccccc2OC)s1 ZINC000460911179 982646890 /nfs/dbraw/zinc/64/68/90/982646890.db2.gz SIHOPJMLRXIAFL-HXUWFJFHSA-N -1 3 418.540 3.791 20 0 HHADHM CCc1ncc(S(=O)(=O)[N-][C@@H](c2ccc(OC)cc2)c2ccccc2OC)s1 ZINC000460911178 982647104 /nfs/dbraw/zinc/64/71/04/982647104.db2.gz SIHOPJMLRXIAFL-FQEVSTJZSA-N -1 3 418.540 3.791 20 0 HHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc2ccc(Cl)cc2n1 ZINC000438334592 982729437 /nfs/dbraw/zinc/72/94/37/982729437.db2.gz LXYBRBOUADQDJZ-UHFFFAOYSA-N -1 3 409.873 3.628 20 0 HHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc(C)cc(C)c3Br)nc21 ZINC000461028105 982731398 /nfs/dbraw/zinc/73/13/98/982731398.db2.gz YISODINTPLGUKD-UHFFFAOYSA-N -1 3 402.248 3.981 20 0 HHADHM COC(=O)c1cccc2[n-]c(NC(=O)CCc3ncc(-c4ccccc4F)o3)nc21 ZINC000438351529 982739236 /nfs/dbraw/zinc/73/92/36/982739236.db2.gz DXBBKCZJHUEDCS-UHFFFAOYSA-N -1 3 408.389 3.715 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)N3Cc4ccc(O)cc4C4(CC4)C3)cc2)cc(=O)[n-]1 ZINC000461105684 982796086 /nfs/dbraw/zinc/79/60/86/982796086.db2.gz BOAIRGNFHHXXIM-UHFFFAOYSA-N -1 3 402.454 3.943 20 0 HHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(Cl)c(C)cc2Br)c(C)o1 ZINC000461108438 982798039 /nfs/dbraw/zinc/79/80/39/982798039.db2.gz AMMLGVHMVHTJRT-UHFFFAOYSA-N -1 3 422.684 3.900 20 0 HHADHM C[S@](=O)Cc1ccc(Cl)c([N-]S(=O)(=O)c2cnc3ccsc3c2)c1 ZINC000461112407 982802516 /nfs/dbraw/zinc/80/25/16/982802516.db2.gz NBMNDBCCZBLVTI-QHCPKHFHSA-N -1 3 400.934 3.629 20 0 HHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2Br)c(C)o1 ZINC000461130721 982831948 /nfs/dbraw/zinc/83/19/48/982831948.db2.gz PNQBJXLAKNIPBQ-UHFFFAOYSA-N -1 3 408.657 3.591 20 0 HHADHM O=C(Nc1ccnc(Oc2ccccc2)c1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000438491396 982836440 /nfs/dbraw/zinc/83/64/40/982836440.db2.gz RMBUWHXUKQLAAE-UHFFFAOYSA-N -1 3 418.453 3.569 20 0 HHADHM COC(C)(C)C[C@@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000461178072 982894769 /nfs/dbraw/zinc/89/47/69/982894769.db2.gz DHNUHXDQGZDMJX-OAHLLOKOSA-N -1 3 422.522 3.868 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000438683648 982999129 /nfs/dbraw/zinc/99/91/29/982999129.db2.gz VYBHJLRKRLFAQG-TZIWHRDSSA-N -1 3 416.525 3.601 20 0 HHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000461300205 983000175 /nfs/dbraw/zinc/00/01/75/983000175.db2.gz MFQPMFLWWABRSW-JLTOFOAXSA-N -1 3 406.461 3.844 20 0 HHADHM CC(C)c1ccc(-c2noc(CN3CCN(C(=O)c4ccc([O-])cc4)CC3)n2)cc1 ZINC000438700902 983012116 /nfs/dbraw/zinc/01/21/16/983012116.db2.gz XCOQZZMMDLNUDU-UHFFFAOYSA-N -1 3 406.486 3.524 20 0 HHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CCc4c3cccc4F)nc(=O)c2c1C ZINC000461361400 983038954 /nfs/dbraw/zinc/03/89/54/983038954.db2.gz MGFBZKPECCLJQA-LLVKDONJSA-N -1 3 401.463 3.733 20 0 HHADHM CCCS(=O)(=O)Nc1cc([N-]S(=O)(=O)c2cc(C)sc2C)c(F)cc1F ZINC000438756582 983049099 /nfs/dbraw/zinc/04/90/99/983049099.db2.gz JHBNPKATIYADNX-UHFFFAOYSA-N -1 3 424.516 3.596 20 0 HHADHM COC(=O)CCOc1ccc(S(=O)(=O)[N-]c2cccc(CC(F)(F)F)c2)cc1 ZINC000438770640 983060545 /nfs/dbraw/zinc/06/05/45/983060545.db2.gz ICMXWBKQTGFWGE-UHFFFAOYSA-N -1 3 417.405 3.534 20 0 HHADHM COCCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(Br)c2)c(C)c1 ZINC000438800653 983079022 /nfs/dbraw/zinc/07/90/22/983079022.db2.gz HSRDFNYGUZTIDC-UHFFFAOYSA-N -1 3 414.321 3.892 20 0 HHADHM Cc1ccc([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)c(Br)c1 ZINC000438801086 983079059 /nfs/dbraw/zinc/07/90/59/983079059.db2.gz KIIPHUUNJAUKDU-UHFFFAOYSA-N -1 3 417.668 3.646 20 0 HHADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1C[C@H]2CCCC[C@H]2N1c1ncccn1 ZINC000461457507 983124355 /nfs/dbraw/zinc/12/43/55/983124355.db2.gz UNPLGUGADLLPSG-WQVCFCJDSA-N -1 3 417.307 3.721 20 0 HHADHM O=C([N-]c1nccc2sccc21)c1sccc1S(=O)(=O)NCc1ccco1 ZINC000461481739 983137878 /nfs/dbraw/zinc/13/78/78/983137878.db2.gz QUHAPBYHTXJHBV-UHFFFAOYSA-N -1 3 419.509 3.682 20 0 HHADHM CN(CCN1CCCC1)C(=O)c1nn(-c2c(Cl)cc(Cl)cc2Cl)cc1[O-] ZINC000438893467 983140422 /nfs/dbraw/zinc/14/04/22/983140422.db2.gz JDNZRMLWYQIHIJ-UHFFFAOYSA-N -1 3 417.724 3.706 20 0 HHADHM CCn1nc(C)c(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1C ZINC000439052091 983228512 /nfs/dbraw/zinc/22/85/12/983228512.db2.gz DCLLCTJCVXKNCW-HXUWFJFHSA-N -1 3 406.486 3.725 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@@H]2C[C@@]23CCCc2ccccc23)cc1OC ZINC000439051393 983228669 /nfs/dbraw/zinc/22/86/69/983228669.db2.gz PUROPVKNROGNEL-PGRDOPGGSA-N -1 3 414.527 3.690 20 0 HHADHM CC(C)COc1ccc(C(C)(C)C(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)cc1 ZINC000461622137 983245158 /nfs/dbraw/zinc/24/51/58/983245158.db2.gz YWPIJSHCSUSTAA-UHFFFAOYSA-N -1 3 411.502 3.534 20 0 HHADHM O=S(=O)([N-][C@@H](Cc1nnc[nH]1)c1ccccc1)c1ccc(Cl)c(F)c1Cl ZINC000439186363 983298314 /nfs/dbraw/zinc/29/83/14/983298314.db2.gz BMTZJOKDSBJCLB-LBPRGKRZSA-N -1 3 415.277 3.513 20 0 HHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000439243451 983328392 /nfs/dbraw/zinc/32/83/92/983328392.db2.gz FGNPQRVDQZMABD-UHFFFAOYSA-N -1 3 403.364 3.727 20 0 HHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000439243451 983328398 /nfs/dbraw/zinc/32/83/98/983328398.db2.gz FGNPQRVDQZMABD-UHFFFAOYSA-N -1 3 403.364 3.727 20 0 HHADHM O=S(=O)([N-]c1ccccc1I)c1cnc2ccsc2c1 ZINC000439563612 983451560 /nfs/dbraw/zinc/45/15/60/983451560.db2.gz BPTQFFOWCGZPGV-UHFFFAOYSA-N -1 3 416.265 3.702 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N([C@@H](C)[C@H](C)CC)C3CC3)c2)n1 ZINC000439579099 983459206 /nfs/dbraw/zinc/45/92/06/983459206.db2.gz YSMBAQPMGGLVED-CABCVRRESA-N -1 3 410.518 3.776 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CCc3ccoc3)ccc2C)cc1 ZINC000439680019 983498411 /nfs/dbraw/zinc/49/84/11/983498411.db2.gz ZQKYNAMKGNFUSV-UHFFFAOYSA-N -1 3 414.483 3.969 20 0 HHADHM O=C(Nc1cc(Cl)c(Cl)cc1F)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000439980448 983603994 /nfs/dbraw/zinc/60/39/94/983603994.db2.gz PUUZMWJTERMGAQ-UHFFFAOYSA-N -1 3 412.248 3.828 20 0 HHADHM CC(C)CC[C@](C)(O)CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000440157122 983663825 /nfs/dbraw/zinc/66/38/25/983663825.db2.gz FHBURVQBNGLWNZ-NRFANRHFSA-N -1 3 422.522 3.544 20 0 HHADHM Cc1noc(C2CCC(NC(=O)Nc3ccc(-c4cc(=O)[n-]c(C)n4)cc3)CC2)n1 ZINC000440205604 983682412 /nfs/dbraw/zinc/68/24/12/983682412.db2.gz HOFIMYVCWNCWPU-UHFFFAOYSA-N -1 3 408.462 3.697 20 0 HHADHM CC(=O)N(Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)cc1)C1CC1 ZINC000440285362 983706835 /nfs/dbraw/zinc/70/68/35/983706835.db2.gz UEBBQWRHTGZLGK-UHFFFAOYSA-N -1 3 414.527 3.712 20 0 HHADHM COC(=O)C(C)(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)cc1 ZINC000440290916 983708201 /nfs/dbraw/zinc/70/82/01/983708201.db2.gz JJVNQKMQDMIOPR-UHFFFAOYSA-N -1 3 403.500 3.652 20 0 HHADHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)cc1C(=O)NC(C)C ZINC000440296202 983709992 /nfs/dbraw/zinc/70/99/92/983709992.db2.gz OMAFYLOKWYBMFS-UHFFFAOYSA-N -1 3 402.516 3.648 20 0 HHADHM CCN(Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)c1)C(C)=O ZINC000440301251 983711669 /nfs/dbraw/zinc/71/16/69/983711669.db2.gz DJUGDFMZOIMRMS-UHFFFAOYSA-N -1 3 402.516 3.569 20 0 HHADHM CC(C)NC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)cc1 ZINC000440316723 983718200 /nfs/dbraw/zinc/71/82/00/983718200.db2.gz WOEFRRZOBQDPAH-UHFFFAOYSA-N -1 3 403.504 3.731 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@H]3CCCS3)ccc2C)cc1 ZINC000440354442 983731398 /nfs/dbraw/zinc/73/13/98/983731398.db2.gz CTCZQEBYFWGIHM-QGZVFWFLSA-N -1 3 406.529 3.639 20 0 HHADHM Cc1nn(Cc2ccccc2)c(C)c1C[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC000440379018 983738476 /nfs/dbraw/zinc/73/84/76/983738476.db2.gz BQQGBYINGIDGKE-UHFFFAOYSA-N -1 3 405.470 3.613 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]Cc2cccc(NC(=O)C3CCCC3)c2)c(F)cc1F ZINC000440395151 983743542 /nfs/dbraw/zinc/74/35/42/983743542.db2.gz BSZJPSUSIYVFNW-UHFFFAOYSA-N -1 3 408.470 3.880 20 0 HHADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)c(F)cc1F ZINC000440395394 983743592 /nfs/dbraw/zinc/74/35/92/983743592.db2.gz CIPGMMYXEOXIAE-LBPRGKRZSA-N -1 3 409.458 3.597 20 0 HHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2cn3c(n2)CCCC3)cc1 ZINC000440684215 983851267 /nfs/dbraw/zinc/85/12/67/983851267.db2.gz OXDPCRNWGVMSIF-UHFFFAOYSA-N -1 3 424.526 3.889 20 0 HHADHM CS(=O)(=O)c1ccc(OCCCC(=O)Nc2ccc([O-])c(C(F)(F)F)c2)cc1 ZINC000440998139 984016385 /nfs/dbraw/zinc/01/63/85/984016385.db2.gz ICGWSXHVRWQLJC-UHFFFAOYSA-N -1 3 417.405 3.612 20 0 HHADHM O=C(Nc1cccc(CCC(F)(F)F)c1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000441129355 984081356 /nfs/dbraw/zinc/08/13/56/984081356.db2.gz WMXUXVWXVGDTAU-UHFFFAOYSA-N -1 3 421.419 3.877 20 0 HHADHM CCC[C@@H]1[C@H](C)CCCN1C(=O)C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000441355267 984204347 /nfs/dbraw/zinc/20/43/47/984204347.db2.gz GGGRCBGNVWBEHO-DNVCBOLYSA-N -1 3 410.518 3.777 20 0 HHADHM C[C@@H](Sc1ccccn1)C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000441519573 984300052 /nfs/dbraw/zinc/30/00/52/984300052.db2.gz VHQSEKRDDXCFOA-SNVBAGLBSA-N -1 3 419.450 3.591 20 0 HHADHM Cc1n[nH]cc1-c1nnc([N-]C(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)s1 ZINC000441565843 984326890 /nfs/dbraw/zinc/32/68/90/984326890.db2.gz CVTMXLMPPXJAKP-UHFFFAOYSA-N -1 3 421.511 4.198 20 0 HHADHM CCc1cccc(Cc2cnc(NC(=O)NCc3nc(C(F)(F)F)n[n-]3)s2)c1 ZINC000441852928 984500347 /nfs/dbraw/zinc/50/03/47/984500347.db2.gz UVLFEIASDCKZJJ-UHFFFAOYSA-N -1 3 410.425 3.755 20 0 HHADHM Cn1c2cc([O-])c(NC(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3Cl)cc2n(C)c1=O ZINC000461633439 984654668 /nfs/dbraw/zinc/65/46/68/984654668.db2.gz SQTYZOLTOVWKEP-NEPJUHHUSA-N -1 3 406.269 3.632 20 0 HHADHM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCCC[C@H]3O)cc2)cc1 ZINC000442217964 984737784 /nfs/dbraw/zinc/73/77/84/984737784.db2.gz KBQYVPJXOQKKGU-NHCUHLMSSA-N -1 3 405.516 3.957 20 0 HHADHM CCC(=O)NCc1cc(S(=O)(=O)[N-]c2cc(C)c(Cl)c(C)c2)ccc1OC ZINC000442223535 984742791 /nfs/dbraw/zinc/74/27/91/984742791.db2.gz RCDWLBLQGDJFKD-UHFFFAOYSA-N -1 3 410.923 3.792 20 0 HHADHM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCCC[C@H]3O)cc2)cc1C ZINC000442239992 984761453 /nfs/dbraw/zinc/76/14/53/984761453.db2.gz FMQGNTXPOVVKDN-WOJBJXKFSA-N -1 3 405.516 3.795 20 0 HHADHM CC(C)c1nnc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)s1 ZINC000442554686 985049003 /nfs/dbraw/zinc/04/90/03/985049003.db2.gz ZRUHHESNQNSHSP-UHFFFAOYSA-N -1 3 408.911 3.511 20 0 HHADHM O=S(=O)([N-]C[C@@H]1CCN(c2ccccc2F)C1)c1ccc(F)cc1C(F)(F)F ZINC000462124913 985094430 /nfs/dbraw/zinc/09/44/30/985094430.db2.gz XQDUCRKVEYQAFA-LBPRGKRZSA-N -1 3 420.403 3.788 20 0 HHADHM O=S(=O)([N-]CC1(c2ccc(Cl)cc2)CC1)c1ccc(Br)cn1 ZINC000462150901 985123071 /nfs/dbraw/zinc/12/30/71/985123071.db2.gz LJEYKTMFUVTSMW-UHFFFAOYSA-N -1 3 401.713 3.508 20 0 HHADHM O=S(=O)([N-][C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1cnccc1C(F)(F)F ZINC000442761987 985207895 /nfs/dbraw/zinc/20/78/95/985207895.db2.gz ZJQROWXLFSRXDF-ZFWWWQNUSA-N -1 3 424.803 3.701 20 0 HHADHM O=S(=O)([N-][C@H](c1cccc(F)c1)c1ccccn1)c1cnccc1C(F)(F)F ZINC000442774230 985211511 /nfs/dbraw/zinc/21/15/11/985211511.db2.gz ZYNCYGFGRZIEMS-QGZVFWFLSA-N -1 3 411.380 3.702 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C[C@@H](C)Oc1ccccc1F ZINC000442809063 985222363 /nfs/dbraw/zinc/22/23/63/985222363.db2.gz JCVDKWHPNNNOCI-GFCCVEGCSA-N -1 3 423.487 3.573 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C ZINC000442810644 985222775 /nfs/dbraw/zinc/22/27/75/985222775.db2.gz ATYQCHAUQGJCSZ-YRILPIOLSA-N -1 3 411.882 3.941 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C ZINC000442810641 985223080 /nfs/dbraw/zinc/22/30/80/985223080.db2.gz ATYQCHAUQGJCSZ-CDNVCLAFSA-N -1 3 411.882 3.941 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)N3CCC(c4noc(C5CC5)n4)CC3)cc2)cc(=O)[n-]1 ZINC000462244518 985225588 /nfs/dbraw/zinc/22/55/88/985225588.db2.gz FOGVLXLWYRWYJC-UHFFFAOYSA-N -1 3 420.473 3.830 20 0 HHADHM COc1ccccc1C1(C[N-]S(=O)(=O)c2sc(C)cc2Br)CC1 ZINC000462252237 985235515 /nfs/dbraw/zinc/23/55/15/985235515.db2.gz AMXCOBYPQXMHAM-UHFFFAOYSA-N -1 3 416.362 3.838 20 0 HHADHM O=S(=O)([N-]CCCCOc1ccc(Cl)cc1)c1cnccc1C(F)(F)F ZINC000442906610 985273166 /nfs/dbraw/zinc/27/31/66/985273166.db2.gz GZIPMVASKXGQQE-UHFFFAOYSA-N -1 3 408.829 3.891 20 0 HHADHM O=S(=O)([N-]Cc1ccccc1OC1CCCC1)c1cnccc1C(F)(F)F ZINC000442907855 985273817 /nfs/dbraw/zinc/27/38/17/985273817.db2.gz KSKNFDGFOKGFBK-UHFFFAOYSA-N -1 3 400.422 3.900 20 0 HHADHM O=S(=O)(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CCC[C@@H]1c1cccc(Cl)c1 ZINC000442913696 985277359 /nfs/dbraw/zinc/27/73/59/985277359.db2.gz JBMOLFHXTAZOHQ-MRXNPFEDSA-N -1 3 424.313 3.699 20 0 HHADHM O=S(=O)(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CCC[C@@H]1c1cccc(Cl)c1 ZINC000442913696 985277369 /nfs/dbraw/zinc/27/73/69/985277369.db2.gz JBMOLFHXTAZOHQ-MRXNPFEDSA-N -1 3 424.313 3.699 20 0 HHADHM CC[C@@H](NS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC000442916777 985279032 /nfs/dbraw/zinc/27/90/32/985279032.db2.gz AMRFXRUUAWFLQT-OAHLLOKOSA-N -1 3 412.302 3.603 20 0 HHADHM CC[C@@H](NS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC000442916777 985279045 /nfs/dbraw/zinc/27/90/45/985279045.db2.gz AMRFXRUUAWFLQT-OAHLLOKOSA-N -1 3 412.302 3.603 20 0 HHADHM O=S(=O)(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CCC[C@@H]1c1ccccc1Cl ZINC000442927529 985283463 /nfs/dbraw/zinc/28/34/63/985283463.db2.gz NUSRLHIVJAWMDG-MRXNPFEDSA-N -1 3 424.313 3.699 20 0 HHADHM O=S(=O)(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CCC[C@@H]1c1ccccc1Cl ZINC000442927529 985283471 /nfs/dbraw/zinc/28/34/71/985283471.db2.gz NUSRLHIVJAWMDG-MRXNPFEDSA-N -1 3 424.313 3.699 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H]2CCC[C@@H]2C)c(Br)c1 ZINC000462301644 985287521 /nfs/dbraw/zinc/28/75/21/985287521.db2.gz YXFUCAXULPKOHA-CABZTGNLSA-N -1 3 411.159 3.987 20 0 HHADHM CCc1nc(C(=O)Nc2ccc(OC(F)(F)F)cc2[O-])nn1-c1ccccc1F ZINC000442949240 985297340 /nfs/dbraw/zinc/29/73/40/985297340.db2.gz XHWJMDULQAKMRM-UHFFFAOYSA-N -1 3 410.327 3.825 20 0 HHADHM O=C1[C@H]([N-]S(=O)(=O)c2cc(F)ccc2Cl)CCCN1c1ccccc1Cl ZINC000462313646 985300779 /nfs/dbraw/zinc/30/07/79/985300779.db2.gz INLDCASUMIRHIV-CQSZACIVSA-N -1 3 417.289 3.606 20 0 HHADHM O=S(=O)([N-]CC1(c2cccc(Cl)c2)CC1)c1ccc(Br)cn1 ZINC000462337432 985326744 /nfs/dbraw/zinc/32/67/44/985326744.db2.gz QMNYOIUXGSBDKD-UHFFFAOYSA-N -1 3 401.713 3.508 20 0 HHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCOc2c(Cl)cccc21 ZINC000443020543 985339474 /nfs/dbraw/zinc/33/94/74/985339474.db2.gz BZDZPXPHMIHOPB-AWEZNQCLSA-N -1 3 416.282 3.582 20 0 HHADHM Cc1ccc(N2CCC([N-]S(=O)(=O)c3c(Cl)ccc(C)c3Cl)CC2)nc1 ZINC000462356618 985345585 /nfs/dbraw/zinc/34/55/85/985345585.db2.gz JTNLVYPCRJUJSW-UHFFFAOYSA-N -1 3 414.358 3.953 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](C)Cc1ccc(Cl)cc1Cl ZINC000443033678 985346407 /nfs/dbraw/zinc/34/64/07/985346407.db2.gz OPARGLIREKRJBT-SNVBAGLBSA-N -1 3 420.289 3.829 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](C)Cc1ccc(Cl)cc1Cl ZINC000443033677 985346496 /nfs/dbraw/zinc/34/64/96/985346496.db2.gz OPARGLIREKRJBT-JTQLQIEISA-N -1 3 420.289 3.829 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](C)c1cc(Cl)ccc1Cl ZINC000443040870 985349660 /nfs/dbraw/zinc/34/96/60/985349660.db2.gz WLLMNDHXJLGFTI-SECBINFHSA-N -1 3 406.262 3.959 20 0 HHADHM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)C3)cc1 ZINC000462364725 985351556 /nfs/dbraw/zinc/35/15/56/985351556.db2.gz WGEIPPCHVYMWFG-CQSZACIVSA-N -1 3 400.500 3.500 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H]1COc2c1ccc(C)c2C ZINC000443065920 985359199 /nfs/dbraw/zinc/35/91/99/985359199.db2.gz BLCSJKXFUQMKDM-OAHLLOKOSA-N -1 3 417.508 3.717 20 0 HHADHM CCC(CC)(C[N-]S(=O)(=O)c1csnc1C(=O)OC)c1ccc(Cl)cc1 ZINC000443071786 985362105 /nfs/dbraw/zinc/36/21/05/985362105.db2.gz QNJXUUYPPFRACH-UHFFFAOYSA-N -1 3 416.952 3.619 20 0 HHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000443083669 985366602 /nfs/dbraw/zinc/36/66/02/985366602.db2.gz FEFKKPMGSXLAOT-JTQLQIEISA-N -1 3 416.952 3.920 20 0 HHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1ccccc1OC(F)F ZINC000443091771 985371291 /nfs/dbraw/zinc/37/12/91/985371291.db2.gz IUVWDDAHXUBMGW-JTQLQIEISA-N -1 3 419.833 3.768 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000443098060 985373281 /nfs/dbraw/zinc/37/32/81/985373281.db2.gz NQKXHNZZLCHCDU-NRFANRHFSA-N -1 3 413.470 3.989 20 0 HHADHM CCOc1cccc(C[N-]S(=O)(=O)c2c3ccccc3sc2C(=O)OC)c1 ZINC000443106517 985377725 /nfs/dbraw/zinc/37/77/25/985377725.db2.gz IUMJDMLQZHEEDN-UHFFFAOYSA-N -1 3 405.497 3.565 20 0 HHADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000443107404 985378447 /nfs/dbraw/zinc/37/84/47/985378447.db2.gz ZVBJZLGPCTWBCN-ZDUSSCGKSA-N -1 3 400.497 3.525 20 0 HHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)c1cccc(OC(F)F)c1 ZINC000443111602 985381616 /nfs/dbraw/zinc/38/16/16/985381616.db2.gz RDAXKDGANFKTHE-SNVBAGLBSA-N -1 3 419.833 3.768 20 0 HHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H](c2ncc(C)s2)C2CC2)cc1Cl ZINC000462408453 985384351 /nfs/dbraw/zinc/38/43/51/985384351.db2.gz HMFQFNNMLDSRTM-HNNXBMFYSA-N -1 3 417.915 3.632 20 0 HHADHM COc1cccc([C@H]2[C@@H](NC(=O)c3cc(Cl)c([O-])c(OC)c3)CCN2C2CC2)c1 ZINC000443139421 985400881 /nfs/dbraw/zinc/40/08/81/985400881.db2.gz WTNNRSGQTNNGTQ-ICSRJNTNSA-N -1 3 416.905 3.771 20 0 HHADHM COc1cc(-c2nc(-c3ccccc3N3CCN(C)CC3)no2)cc(Cl)c1[O-] ZINC000443199244 985439209 /nfs/dbraw/zinc/43/92/09/985439209.db2.gz DDTNZTCIMPOBFR-UHFFFAOYSA-N -1 3 400.866 3.523 20 0 HHADHM COCc1nc(C[N-]S(=O)(=O)c2ccc(OC)cc2F)c(-c2ccccc2)s1 ZINC000443221350 985449070 /nfs/dbraw/zinc/44/90/70/985449070.db2.gz CDJLISGEBGYEPT-UHFFFAOYSA-N -1 3 422.503 3.583 20 0 HHADHM O=S(=O)([N-][C@H](Cc1ccccc1)[C@@H](O)C(F)F)c1cccc(Cl)c1Cl ZINC000443230994 985454178 /nfs/dbraw/zinc/45/41/78/985454178.db2.gz HIEVDAZFDJHUNO-IUODEOHRSA-N -1 3 410.269 3.509 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H]1C[C@H]1Cc1ccccc1 ZINC000443258766 985460480 /nfs/dbraw/zinc/46/04/80/985460480.db2.gz XBNSOGCNLZQJBP-GDBMZVCRSA-N -1 3 401.509 3.597 20 0 HHADHM COc1ccc(OCCC[N-]S(=O)(=O)c2sc(C)cc2Br)cc1 ZINC000462553174 985500621 /nfs/dbraw/zinc/50/06/21/985500621.db2.gz RRQRPIBJXVOROX-UHFFFAOYSA-N -1 3 420.350 3.575 20 0 HHADHM COc1ccccc1O[C@@H](C)C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000462609540 985553054 /nfs/dbraw/zinc/55/30/54/985553054.db2.gz CKMPIGNKUIJSBU-NSHDSACASA-N -1 3 407.385 3.599 20 0 HHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H]2O[C@@H](C)C[C@@H]2C)cc1 ZINC000443420364 985577529 /nfs/dbraw/zinc/57/75/29/985577529.db2.gz YNDFAAOUSMZBQM-TWOQFEAHSA-N -1 3 402.516 3.856 20 0 HHADHM CO[C@H](C[N-]S(=O)(=O)c1ccc(Br)s1)c1cccc(Cl)c1 ZINC000462652393 985593195 /nfs/dbraw/zinc/59/31/95/985593195.db2.gz CCSSXTAXKPXNOM-LLVKDONJSA-N -1 3 410.742 3.830 20 0 HHADHM O=S(=O)([N-][C@H]1CCO[C@@H](c2ccccc2)C1)c1cc(F)ccc1Br ZINC000462679136 985617765 /nfs/dbraw/zinc/61/77/65/985617765.db2.gz HDMOTMLZGUCEPK-GOEBONIOSA-N -1 3 414.296 3.787 20 0 HHADHM COc1cccc(O[C@H](C)C[N-]S(=O)(=O)c2sc(C)cc2Br)c1 ZINC000462714067 985659560 /nfs/dbraw/zinc/65/95/60/985659560.db2.gz JUEMLGNGKQNROT-SNVBAGLBSA-N -1 3 420.350 3.573 20 0 HHADHM CCC1(C)CN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(OC)cc3)ccc2C)C1 ZINC000462735126 985680767 /nfs/dbraw/zinc/68/07/67/985680767.db2.gz KZHCBPMHLKQGMQ-UHFFFAOYSA-N -1 3 402.516 3.677 20 0 HHADHM Cc1nc(C)c(CCC(=O)NCC2(c3cc(F)cc(C(F)(F)F)c3)CC2)c(=O)[n-]1 ZINC000468067891 985726779 /nfs/dbraw/zinc/72/67/79/985726779.db2.gz HLXIUWFWLPVFRE-UHFFFAOYSA-N -1 3 411.399 3.738 20 0 HHADHM COC(=O)c1csc(S(=O)(=O)[N-]C2CC(c3ccc(F)c(Cl)c3)C2)c1 ZINC000462795168 985727965 /nfs/dbraw/zinc/72/79/65/985727965.db2.gz OTBAAMOPPXFPQX-UHFFFAOYSA-N -1 3 403.884 3.552 20 0 HHADHM CC[C@]1(C)CN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)ccc2C)CCO1 ZINC000443559914 985732272 /nfs/dbraw/zinc/73/22/72/985732272.db2.gz PNUJSMHDTAFCFZ-JOCHJYFZSA-N -1 3 416.543 3.745 20 0 HHADHM COC(=O)c1cc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)oc1C ZINC000443689355 985903089 /nfs/dbraw/zinc/90/30/89/985903089.db2.gz LHYZRLKYSVJWPT-UHFFFAOYSA-N -1 3 411.785 3.525 20 0 HHADHM O=S(=O)(Cc1nc2ccccc2n1C(F)F)c1nc(CCC2CCCC2)n[n-]1 ZINC000462960350 985904621 /nfs/dbraw/zinc/90/46/21/985904621.db2.gz SZXITFAWOZHTHF-UHFFFAOYSA-N -1 3 409.462 3.646 20 0 HHADHM O=S(=O)(Cc1nc2ccccc2n1C(F)F)c1nnc(CCC2CCCC2)[n-]1 ZINC000462960350 985904634 /nfs/dbraw/zinc/90/46/34/985904634.db2.gz SZXITFAWOZHTHF-UHFFFAOYSA-N -1 3 409.462 3.646 20 0 HHADHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc2[nH]ncc2c(C)c1 ZINC000468349397 986046133 /nfs/dbraw/zinc/04/61/33/986046133.db2.gz ZKBJJTOPNFSVGK-GFCCVEGCSA-N -1 3 409.895 3.739 20 0 HHADHM Cn1cccc1[C@H]1CCCN1C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000443916594 986118912 /nfs/dbraw/zinc/11/89/12/986118912.db2.gz NDQQCWCNIUZNHD-QGZVFWFLSA-N -1 3 400.276 3.606 20 0 HHADHM O=C(Nc1ccccc1)[C@H]([N-]S(=O)(=O)CCc1cccs1)c1ccccc1 ZINC000443957237 986164904 /nfs/dbraw/zinc/16/49/04/986164904.db2.gz LCRQQRBXFUHEKS-LJQANCHMSA-N -1 3 400.525 3.590 20 0 HHADHM C[C@H](C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)N1CCCCCC1 ZINC000468477717 986172868 /nfs/dbraw/zinc/17/28/68/986172868.db2.gz DYECHOPZSMISTK-QGZVFWFLSA-N -1 3 401.532 3.690 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CN3CCSCC3)c2C)cc1C ZINC000444030997 986226462 /nfs/dbraw/zinc/22/64/62/986226462.db2.gz HDTMKXKSZSIGCZ-UHFFFAOYSA-N -1 3 406.573 3.662 20 0 HHADHM O=C(Nc1ccc(-c2nnco2)cc1)c1c[n-]c2ccc(Br)cc2c1=O ZINC000444033610 986230276 /nfs/dbraw/zinc/23/02/76/986230276.db2.gz GJNQHZAKQFXAMW-UHFFFAOYSA-N -1 3 411.215 3.593 20 0 HHADHM CC(C)N(Cc1cccnc1)C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000444035014 986232253 /nfs/dbraw/zinc/23/22/53/986232253.db2.gz WHIOHQKCINSVEK-UHFFFAOYSA-N -1 3 400.276 3.736 20 0 HHADHM Cc1c(CN2CCSCC2)cccc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC000444035557 986233000 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3 420.937 3.864 20 0 HHADHM O=c1[n-]c(CN2CCC[C@@](CO)(Cc3ccccc3)C2)nc2c3ccccc3oc21 ZINC000463453853 986434720 /nfs/dbraw/zinc/43/47/20/986434720.db2.gz LYZBEAYTKYPMML-XMMPIXPASA-N -1 3 403.482 3.899 20 0 HHADHM O=C(c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)N1CCO[C@H](c2ccsc2)C1 ZINC000444301182 986486120 /nfs/dbraw/zinc/48/61/20/986486120.db2.gz LEFRLNNEPMJVQS-HNNXBMFYSA-N -1 3 424.400 3.702 20 0 HHADHM COCCOc1ccc(F)cc1S(=O)(=O)[N-][C@H](CC(F)(F)F)c1ccccc1 ZINC000468816908 986525779 /nfs/dbraw/zinc/52/57/79/986525779.db2.gz DCHZCXFSXZIAOW-OAHLLOKOSA-N -1 3 421.412 3.823 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)NCc1ccc(COC2CCOCC2)cc1 ZINC000468824942 986534415 /nfs/dbraw/zinc/53/44/15/986534415.db2.gz DOBAAOQSZHZBHX-UHFFFAOYSA-N -1 3 401.478 3.866 20 0 HHADHM C[C@H](CN(C)C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)c1nccs1 ZINC000444368854 986546651 /nfs/dbraw/zinc/54/66/51/986546651.db2.gz OXFZVHKOMMAPHZ-SNVBAGLBSA-N -1 3 411.405 3.759 20 0 HHADHM Cc1n[nH]cc1-c1nnc([N-]C(=O)c2csc(Cc3ccccc3F)n2)s1 ZINC000444471687 986655921 /nfs/dbraw/zinc/65/59/21/986655921.db2.gz FZXLAFVISFPLCL-UHFFFAOYSA-N -1 3 400.464 3.675 20 0 HHADHM Cc1ccc(CS(=O)(=O)[N-][C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)cc1F ZINC000469001164 986706744 /nfs/dbraw/zinc/70/67/44/986706744.db2.gz QRZGQDTYYLMAKE-CYBMUJFWSA-N -1 3 407.442 3.812 20 0 HHADHM C[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000469009575 986715763 /nfs/dbraw/zinc/71/57/63/986715763.db2.gz SQJMTOYNUROPJY-INIZCTEOSA-N -1 3 413.493 3.598 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)N[C@@H](C)c2ccc(Br)s2)c([O-])c1 ZINC000444561044 986754292 /nfs/dbraw/zinc/75/42/92/986754292.db2.gz YQEDJXGLEXVBNH-NSHDSACASA-N -1 3 411.321 3.522 20 0 HHADHM CCOCCCn1c2ccccc2nc1[N-]S(=O)(=O)Cc1ccc(C)c(F)c1 ZINC000469047897 986758401 /nfs/dbraw/zinc/75/84/01/986758401.db2.gz XNGNZCLZESUSSV-UHFFFAOYSA-N -1 3 405.495 3.852 20 0 HHADHM Cc1ccc(CS(=O)(=O)[N-][C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)cc1F ZINC000469109775 986826413 /nfs/dbraw/zinc/82/64/13/986826413.db2.gz ZKXUKOVGEONDHU-CYBMUJFWSA-N -1 3 407.442 3.812 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)NCc1cc2c(c(Br)c1)OCO2 ZINC000469110838 986827238 /nfs/dbraw/zinc/82/72/38/986827238.db2.gz BPOBMGJVZKOLCG-UHFFFAOYSA-N -1 3 410.239 3.662 20 0 HHADHM CCOC(=O)c1nc(C2CCN(C(=O)CCCc3ccc4ccccc4c3)CC2)n[n-]1 ZINC000444655298 986835074 /nfs/dbraw/zinc/83/50/74/986835074.db2.gz SZEGYVQPDOSYBI-UHFFFAOYSA-N -1 3 420.513 3.864 20 0 HHADHM CCOC(=O)c1nnc(C2CCN(C(=O)CCCc3ccc4ccccc4c3)CC2)[n-]1 ZINC000444655298 986835090 /nfs/dbraw/zinc/83/50/90/986835090.db2.gz SZEGYVQPDOSYBI-UHFFFAOYSA-N -1 3 420.513 3.864 20 0 HHADHM COc1ccccc1-c1noc([C@H](C)[N-]S(=O)(=O)c2ccccc2C(C)C)n1 ZINC000469123714 986841275 /nfs/dbraw/zinc/84/12/75/986841275.db2.gz UMPBFPSUFVJERI-AWEZNQCLSA-N -1 3 401.488 3.908 20 0 HHADHM COc1cc(NC2CCN(C(=O)CCCc3ccc([O-])c(F)c3)CC2)cc(OC)c1 ZINC000469137124 986856479 /nfs/dbraw/zinc/85/64/79/986856479.db2.gz ZVBYJYFONRMBPK-UHFFFAOYSA-N -1 3 416.493 3.974 20 0 HHADHM 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/nfs/dbraw/zinc/53/59/50/987535950.db2.gz GZXUGXWEBLUDJK-UHFFFAOYSA-N -1 3 417.487 3.788 20 0 HHADHM CC(C)c1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccc(Cl)cc3)n2)cn1 ZINC000445503806 987564768 /nfs/dbraw/zinc/56/47/68/987564768.db2.gz PBBCPEWZMOMAPX-LBPRGKRZSA-N -1 3 406.895 3.948 20 0 HHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)cc2)cc1Br ZINC000469969720 987587044 /nfs/dbraw/zinc/58/70/44/987587044.db2.gz RDLHCNBJIPCGCG-UHFFFAOYSA-N -1 3 422.304 3.834 20 0 HHADHM Cc1ccc(C[S@](=O)Cc2nc(C(F)(F)F)cc(=O)[n-]2)cc1Br ZINC000445545013 987602428 /nfs/dbraw/zinc/60/24/28/987602428.db2.gz VZGBAYGNOZFRKF-QHCPKHFHSA-N -1 3 409.227 3.721 20 0 HHADHM CCO[C@H](CCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)C(C)C ZINC000470004870 987617422 /nfs/dbraw/zinc/61/74/22/987617422.db2.gz AMRBIRZUDAFNDG-HXUWFJFHSA-N -1 3 422.522 3.808 20 0 HHADHM O=S(=O)([N-]CCCCOc1ccc(OCc2ccccc2)cc1)c1ccco1 ZINC000445731317 987795366 /nfs/dbraw/zinc/79/53/66/987795366.db2.gz IAEWSATXHFIEEQ-UHFFFAOYSA-N -1 3 401.484 3.996 20 0 HHADHM CCO[C@H](c1noc([C@H](C)[N-]S(=O)(=O)c2ccc(C)cc2)n1)c1ccccc1 ZINC000445785583 987847660 /nfs/dbraw/zinc/84/76/60/987847660.db2.gz XICMLFXYDJTCIO-YJBOKZPZSA-N -1 3 401.488 3.543 20 0 HHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc[nH]n3)cc2F)c2ccccc12 ZINC000470251055 988194473 /nfs/dbraw/zinc/19/44/73/988194473.db2.gz UYSDTNWROLWXGG-UHFFFAOYSA-N -1 3 412.446 3.964 20 0 HHADHM Cc1sc(NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)nc1-c1ccc2c(c1)CCC2 ZINC000464092084 988213206 /nfs/dbraw/zinc/21/32/06/988213206.db2.gz LWEOWTJIZFCJRB-UHFFFAOYSA-N -1 3 403.463 3.743 20 0 HHADHM COC(=O)CCSc1ncccc1[N-]C(=O)c1sc(C(F)(F)F)nc1C ZINC000464355701 988508775 /nfs/dbraw/zinc/50/87/75/988508775.db2.gz YZGKPVWZKNHXJF-UHFFFAOYSA-N -1 3 405.423 3.773 20 0 HHADHM CC[S@](=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2oc3ccc(Cl)cc3c2C)C1 ZINC000470600511 988617582 /nfs/dbraw/zinc/61/75/82/988617582.db2.gz IEGIBABEDVFATI-CDEUHXGRSA-N -1 3 403.953 3.753 20 0 HHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C1CCN(c2ccccn2)CC1 ZINC000470610330 988628515 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CC[C@H]1CC[C@@H](C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccc(OC)cc3)c2)O1 ZINC000464864076 989120732 /nfs/dbraw/zinc/12/07/32/989120732.db2.gz FPGSBWWHEVHLOS-HKUYNNGSSA-N -1 3 418.515 3.701 20 0 HHADHM CCOc1c(Br)cc(Cl)cc1NC(=O)NCc1ncccc1[O-] ZINC000471178441 989307755 /nfs/dbraw/zinc/30/77/55/989307755.db2.gz RSIDOXHCZPLORB-UHFFFAOYSA-N -1 3 400.660 3.924 20 0 HHADHM CCOc1cccc(CNC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)c1OC(F)F ZINC000465046719 989373165 /nfs/dbraw/zinc/37/31/65/989373165.db2.gz GCICWEAEUZKMLH-UHFFFAOYSA-N -1 3 409.433 3.718 20 0 HHADHM CC[C@@H]1CC[C@@H](C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3F)c2)O1 ZINC000465057949 989382687 /nfs/dbraw/zinc/38/26/87/989382687.db2.gz QHHNNLQNVIULQX-QAPCUYQASA-N -1 3 406.479 3.831 20 0 HHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1ccnc(N2CCCCC2)c1 ZINC000471299851 989462360 /nfs/dbraw/zinc/46/23/60/989462360.db2.gz DOYDKCFOQWWIBC-UHFFFAOYSA-N -1 3 403.479 3.744 20 0 HHADHM Cc1ccc(-n2c3ccc(C)cc3nc2NC(=O)Cc2c(C)nc(C)[n-]c2=O)cc1 ZINC000465217692 989568628 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3.675 20 0 HHADHM CC(C)(C)OC(=O)Cc1ccccc1[N-]S(=O)(=O)CCOc1ccc(F)cc1 ZINC000467082058 992387787 /nfs/dbraw/zinc/38/77/87/992387787.db2.gz RZICOWJVJFRFIN-UHFFFAOYSA-N -1 3 409.479 3.531 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@H]3C=CCCC3)c2)cc1 ZINC000467272727 992593954 /nfs/dbraw/zinc/59/39/54/992593954.db2.gz HJNAWSMVJXPHRB-INIZCTEOSA-N -1 3 400.500 3.643 20 0 HHADHM C[C@@]1(CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)CCCS1 ZINC000467325392 992646534 /nfs/dbraw/zinc/64/65/34/992646534.db2.gz AQSGMPKTEYEGKS-IBGZPJMESA-N -1 3 408.520 3.642 20 0 HHADHM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3ccc4nc(C5CCC5)[nH]c4c3)cc21 ZINC000467398409 992706945 /nfs/dbraw/zinc/70/69/45/992706945.db2.gz IKKCVPNVNQZTPQ-UHFFFAOYSA-N -1 3 410.499 3.540 20 0 HHADHM Cc1cc(N2CCCC[C@H]2C)ccc1[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000467425645 992725494 /nfs/dbraw/zinc/72/54/94/992725494.db2.gz QGBLPLRIZQCLKO-MRXNPFEDSA-N -1 3 422.572 3.578 20 0 HHADHM Cc1cc(N2CCCC[C@@H]2C)ccc1[N-]S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000467430921 992729414 /nfs/dbraw/zinc/72/94/14/992729414.db2.gz YETZYZKEPZAOKY-INIZCTEOSA-N -1 3 422.572 3.578 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N[C@@H]3CCCc4sccc43)c2)n1 ZINC000467846535 993079212 /nfs/dbraw/zinc/07/92/12/993079212.db2.gz OFQFEHPBMDGOPZ-QGZVFWFLSA-N -1 3 422.510 3.605 20 0 HHADHM Cc1nccn1-c1ccc(C[N-]S(=O)(=O)c2oc3ccc(F)cc3c2C)cc1F ZINC000472099434 993149880 /nfs/dbraw/zinc/14/98/80/993149880.db2.gz GKJFNCOSJLBMJF-UHFFFAOYSA-N -1 3 417.437 3.992 20 0 HHADHM CC1(c2ccc(Cl)cc2)CCN(C(=O)NCc2nc(C(F)(F)F)n[n-]2)CC1 ZINC000472168949 993215409 /nfs/dbraw/zinc/21/54/09/993215409.db2.gz FRGYGBBZMMOXQD-UHFFFAOYSA-N -1 3 401.820 3.740 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccncc3C)ccc2C)cc1 ZINC000472233368 993262194 /nfs/dbraw/zinc/26/21/94/993262194.db2.gz PRYVPGRSPIYMBW-UHFFFAOYSA-N -1 3 411.483 3.760 20 0 HHADHM CC[C@@H]1CN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)[C@@H](CC)CN1C(C)=O ZINC000472341828 993347649 /nfs/dbraw/zinc/34/76/49/993347649.db2.gz 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HHADHM Cc1nc(-c2ccc(NC(=O)NC[C@](C)(Cc3ccccc3)[C@H](C)O)cc2)cc(=O)[n-]1 ZINC000479579155 999488258 /nfs/dbraw/zinc/48/82/58/999488258.db2.gz BUGVIMCFUPKXHY-FYSMJZIKSA-N -1 3 420.513 3.909 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N[C@@H](C)c3ccccc3Cl)c2)n1 ZINC000488448832 999489969 /nfs/dbraw/zinc/48/99/69/999489969.db2.gz DGXJOGGKONMFQL-ZDUSSCGKSA-N -1 3 424.888 3.881 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)c1cc(F)ccc1Br ZINC000488670428 999565936 /nfs/dbraw/zinc/56/59/36/999565936.db2.gz VOHLNOONYJTEBO-UHFFFAOYSA-N -1 3 403.045 3.986 20 0 HHADHM CC(=O)c1cccc(OCCCC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000488684584 999571639 /nfs/dbraw/zinc/57/16/39/999571639.db2.gz JTTREGZYQRDBMI-UHFFFAOYSA-N -1 3 406.276 3.833 20 0 HHADHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1F)c1ccc(C(F)(F)F)cc1 ZINC000479892575 999638910 /nfs/dbraw/zinc/63/89/10/999638910.db2.gz NTAWMVWFVFTBCN-CYBMUJFWSA-N -1 3 423.359 3.566 20 0 HHADHM CO[C@@H](c1ccccc1Cl)[C@@H](C)[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000479913885 999646734 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1010640649 /nfs/dbraw/zinc/64/06/49/1010640649.db2.gz ARYASFDDHIHXNA-LLVKDONJSA-N -1 3 406.276 3.759 20 0 HHADHM CC(C)(C)[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(Br)c2Cl)CCO1 ZINC000551564220 1010663978 /nfs/dbraw/zinc/66/39/78/1010663978.db2.gz GMGHILQNFAJOGQ-GXFFZTMASA-N -1 3 410.761 3.975 20 0 HHADHM O=C(c1cc2ccccc2n1Cc1ccccc1F)N1CCc2c(=O)[n-]cnc2C1 ZINC000521939794 1010726201 /nfs/dbraw/zinc/72/62/01/1010726201.db2.gz HVLQILPGVFDQDN-UHFFFAOYSA-N -1 3 402.429 3.523 20 0 HHADHM O=C([N-]c1ccc(Cl)c(F)c1)c1nc(CN(C(=O)c2ccccc2)C2CC2)no1 ZINC000521945145 1010729649 /nfs/dbraw/zinc/72/96/49/1010729649.db2.gz FTWBZNPPZJZOHD-UHFFFAOYSA-N -1 3 414.824 3.919 20 0 HHADHM Cc1ccc(-c2csc([N-]C(=O)c3sccc3S(=O)(=O)N(C)C)n2)cc1 ZINC000521955581 1010734066 /nfs/dbraw/zinc/73/40/66/1010734066.db2.gz OQNUBJFZHXJRLV-UHFFFAOYSA-N -1 3 407.542 3.683 20 0 HHADHM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1 ZINC000545370049 1010756722 /nfs/dbraw/zinc/75/67/22/1010756722.db2.gz 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ZINC000537733810 1013295416 /nfs/dbraw/zinc/29/54/16/1013295416.db2.gz UISXPLFBLJIVER-GOSISDBHSA-N -1 3 423.444 3.927 20 0 HHADHM O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)Nc1ccc2c(c1)CCC2 ZINC000012208266 962253362 /nfs/dbraw/zinc/25/33/62/962253362.db2.gz KXPYSPVBVXQOAM-UHFFFAOYSA-N -1 3 413.326 3.789 20 0 HHADHM CCOC(=O)c1ccc(NC(=O)CCSc2ccc(OC)c(OC)c2)c([O-])c1 ZINC000537770434 1013332745 /nfs/dbraw/zinc/33/27/45/1013332745.db2.gz VVPDWKICXAROGE-UHFFFAOYSA-N -1 3 405.472 3.707 20 0 HHADHM COc1ccc(C(=O)C2CCN(Cc3cc(=O)oc4c(C)c([O-])ccc34)CC2)cc1 ZINC000014326116 962472301 /nfs/dbraw/zinc/47/23/01/962472301.db2.gz WZFQQVUJTHAWLO-UHFFFAOYSA-N -1 3 407.466 3.911 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3C[C@H](C)C[C@@H](C)C3)ccc2C)cc1 ZINC000015434216 962760761 /nfs/dbraw/zinc/76/07/61/962760761.db2.gz YBKQJTZBXAKLHH-HZPDHXFCSA-N -1 3 416.543 3.923 20 0 HHADHM CCc1ccc([C@@H](C[N-]S(=O)(=O)c2ccc(Br)s2)N(C)C)cc1 ZINC000016088174 962938838 /nfs/dbraw/zinc/93/88/38/962938838.db2.gz FRAOQJJTCJLBTC-CQSZACIVSA-N -1 3 417.394 3.654 20 0 HHADHM COc1ccc(-c2csc(NC(=O)CCc3c(C)nc(C)[n-]c3=O)n2)cc1Cl ZINC000016470537 963050077 /nfs/dbraw/zinc/05/00/77/963050077.db2.gz ARNJKXJPLBCILG-UHFFFAOYSA-N -1 3 418.906 3.744 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3nccs3)ccc2C)cc1 ZINC000016641394 963080555 /nfs/dbraw/zinc/08/05/55/963080555.db2.gz LUZWXTLORRMULL-UHFFFAOYSA-N -1 3 417.512 3.903 20 0 HHADHM COc1ccc(NC(=O)c2ccc(NC=C3C(=O)[N-]C(=O)c4ccccc43)cc2)cc1 ZINC000016719019 963091095 /nfs/dbraw/zinc/09/10/95/963091095.db2.gz ATMJTUBNABWGHQ-KGENOOAVSA-N -1 3 413.433 3.671 20 0 HHADHM O=C1[N-]C(=O)C(=CNc2nnc(-c3ccccc3)c(-c3ccccc3)n2)c2ccccc21 ZINC000016719835 963092713 /nfs/dbraw/zinc/09/27/13/963092713.db2.gz LGPYCONJDKPZLD-HMMYKYKNSA-N -1 3 419.444 3.929 20 0 HHADHM Cn1ccnc1[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)c1ccccc1F ZINC000017522123 963208274 /nfs/dbraw/zinc/20/82/74/963208274.db2.gz SOGYOBQDDKNGKN-MRXNPFEDSA-N -1 3 414.289 3.934 20 0 HHADHM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N2CCN(Cc3ccccc3C)CC2)c1 ZINC000018110710 963270727 /nfs/dbraw/zinc/27/07/27/963270727.db2.gz YNMZMJVHRQYAAC-UHFFFAOYSA-N -1 3 421.570 3.569 20 0 HHADHM COC[C@H]([N-]S(=O)(=O)c1cccc(Br)c1F)c1ccc(F)c(F)c1 ZINC000542466656 1013414652 /nfs/dbraw/zinc/41/46/52/1013414652.db2.gz OXJLXWJKVYQEDM-ZDUSSCGKSA-N -1 3 424.238 3.532 20 0 HHADHM Cc1ccc(COC(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000021997118 963574510 /nfs/dbraw/zinc/57/45/10/963574510.db2.gz IXWUEYIVRBEWFS-UHFFFAOYSA-N -1 3 402.299 3.714 20 0 HHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3cc(Br)ccc3N)nc(=O)c2c1C ZINC000022030764 963581333 /nfs/dbraw/zinc/58/13/33/963581333.db2.gz BOPYQYZXIUJYMG-QMMMGPOBSA-N -1 3 422.304 3.864 20 0 HHADHM O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)OC/C=C/c1ccccc1 ZINC000022162941 963601443 /nfs/dbraw/zinc/60/14/43/963601443.db2.gz YSFATELFJPWUAE-VMPITWQZSA-N -1 3 414.310 3.918 20 0 HHADHM CCc1[nH]c(C(=O)O[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)c(C)c1C(=O)OC ZINC000022313508 963632281 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406.269 3.582 20 0 HHADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]CCc1ccccc1F ZINC000024371833 963989080 /nfs/dbraw/zinc/98/90/80/963989080.db2.gz FAHRSOKNTCRRQH-UHFFFAOYSA-N -1 3 422.703 3.771 20 0 HHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCCCOCC3CC3)c2)cc1 ZINC000024479094 964007793 /nfs/dbraw/zinc/00/77/93/964007793.db2.gz BQLPJJOHKIFFAK-UHFFFAOYSA-N -1 3 416.543 3.651 20 0 HHADHM CCN(C(=O)[C@H](C)Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)c1ccccc1 ZINC000024536154 964014451 /nfs/dbraw/zinc/01/44/51/964014451.db2.gz XLLMFTKNWPKYNE-HNNXBMFYSA-N -1 3 419.510 3.643 20 0 HHADHM C[C@@H]1CCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)c2ccccc2S1 ZINC000024871771 964095856 /nfs/dbraw/zinc/09/58/56/964095856.db2.gz KTIDCJCEOHMCFD-CYBMUJFWSA-N -1 3 420.531 3.798 20 0 HHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cc2cc(Br)ccc2[nH]1 ZINC000024896829 964105017 /nfs/dbraw/zinc/10/50/17/964105017.db2.gz IDLYJWYCQFRGSU-UHFFFAOYSA-N -1 3 408.277 3.554 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(-c4ccc(F)cc4)[nH]n3)c2)n1 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20 0 HHADHM COc1cccc(NC(=O)C(C#N)=C([O-])c2ccnc(OCc3ccccc3)c2)c1 ZINC000149746901 970408639 /nfs/dbraw/zinc/40/86/39/970408639.db2.gz YAVUOJIDGLKRRZ-HXUWFJFHSA-N -1 3 401.422 3.630 20 0 HHADHM COc1ccccc1-c1noc([C@H](C)[N-]S(=O)(=O)Cc2cccc(Cl)c2)n1 ZINC000554701279 1014020288 /nfs/dbraw/zinc/02/02/88/1014020288.db2.gz OYSBBAMNCAQVTJ-LBPRGKRZSA-N -1 3 407.879 3.579 20 0 HHADHM Cc1nc2sc3c(c2c(N2CCN(C(=O)c4ccc([O-])cc4)CC2)n1)CCCC3 ZINC000301100711 970747696 /nfs/dbraw/zinc/74/76/96/970747696.db2.gz PWIYZSBRRWPXGQ-UHFFFAOYSA-N -1 3 408.527 3.547 20 0 HHADHM C[C@H]([N-]S(=O)(=O)c1cc(Br)cnc1Cl)c1ccc(F)cc1F ZINC000316049291 972647945 /nfs/dbraw/zinc/64/79/45/972647945.db2.gz HRYAILBVJROCIF-ZETCQYMHSA-N -1 3 411.655 3.815 20 0 HHADHM COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2cc(Br)sc2C)c1 ZINC000317174502 972655118 /nfs/dbraw/zinc/65/51/18/972655118.db2.gz WSQHENAGXGNESG-UHFFFAOYSA-N -1 3 408.270 3.546 20 0 HHADHM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2ccc(F)cc2Br)c1Cl ZINC000318777767 972666611 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CC(C)(COCc1ccccc1)[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000390200509 972820525 /nfs/dbraw/zinc/82/05/25/972820525.db2.gz YDIZYYAQTBZUMI-UHFFFAOYSA-N -1 3 416.312 3.862 20 0 HHADHM CN(C)[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Br)c1ccccc1 ZINC000391900730 972845662 /nfs/dbraw/zinc/84/56/62/972845662.db2.gz DZWMURDOBLXBMO-OAHLLOKOSA-N -1 3 417.756 3.684 20 0 HHADHM Cc1ccsc1CN(C)C(=O)c1c(C)oc2[n-]c(=O)n(-c3ccccc3)c(=O)c21 ZINC000409613880 973061809 /nfs/dbraw/zinc/06/18/09/973061809.db2.gz RIZDWZSHSYNNCN-UHFFFAOYSA-N -1 3 409.467 3.635 20 0 HHADHM NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(Cl)cc2Br)c1 ZINC000410364966 973958172 /nfs/dbraw/zinc/95/81/72/973958172.db2.gz MVNPKPJAZIGUKF-UHFFFAOYSA-N -1 3 424.103 3.656 20 0 HHADHM CCn1c(=O)oc2cc(S(=O)(=O)[N-]c3cc(Cl)c(Cl)cc3F)ccc21 ZINC000410418403 974016755 /nfs/dbraw/zinc/01/67/55/974016755.db2.gz BHFKTYDQWKDTLE-UHFFFAOYSA-N -1 3 405.234 3.861 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@@H](C)c2ccc(Cl)s2)cc1OC ZINC000426173357 974283617 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O=c1nc(CN2CCN(c3cc(C4CC4)[nH]n3)CC2)[n-]c2scc(-c3ccco3)c21 ZINC000426760034 974639606 /nfs/dbraw/zinc/63/96/06/974639606.db2.gz YMOGSPSOWILUEL-UHFFFAOYSA-N -1 3 422.514 3.580 20 0 HHADHM COc1ccc([C@@H](CC(=O)[O-])NCc2ccc(Br)c(F)c2)cc1OC ZINC000426775674 974651732 /nfs/dbraw/zinc/65/17/32/974651732.db2.gz UEDFHYNZXOYNHQ-OAHLLOKOSA-N -1 3 412.255 3.911 20 0 HHADHM COc1ccc([C@H](CC(=O)[O-])NCc2ccc(F)c(Br)c2)cc1OC ZINC000426787077 974659464 /nfs/dbraw/zinc/65/94/64/974659464.db2.gz AQQFYKRLZARDKW-HNNXBMFYSA-N -1 3 412.255 3.911 20 0 HHADHM COc1cc(CN[C@H](C(=O)[O-])c2ccc(Br)cc2)ccc1OC(F)F ZINC000426826725 974692154 /nfs/dbraw/zinc/69/21/54/974692154.db2.gz UOGNLHCMOYJBAB-HNNXBMFYSA-N -1 3 416.218 3.975 20 0 HHADHM CCc1ccc([C@@H](NCc2cc(Br)c3c(c2)OCCO3)C(=O)[O-])cc1 ZINC000426827785 974692735 /nfs/dbraw/zinc/69/27/35/974692735.db2.gz XCNGMXWYXBGNDG-QGZVFWFLSA-N -1 3 406.276 3.698 20 0 HHADHM CC(C)C[C@H](C)n1nccc1NC(=O)CS(=O)(=O)[N-]c1ccc(OC(C)C)cc1 ZINC000426873346 974724433 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C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000427071497 974877230 /nfs/dbraw/zinc/87/72/30/974877230.db2.gz GSNMWXLGJKRCRI-NSHDSACASA-N -1 3 418.270 3.509 20 0 HHADHM Cc1ccc(-n2cc(C(=O)Nc3ccc(Cc4nnn[n-]4)cc3)c(C(C)(C)C)n2)cc1 ZINC000427071893 974877769 /nfs/dbraw/zinc/87/77/69/974877769.db2.gz ABNJCMOQQXWBCO-UHFFFAOYSA-N -1 3 415.501 3.834 20 0 HHADHM Cc1ccc(-n2cc(C(=O)Nc3ccc(Cc4nn[n-]n4)cc3)c(C(C)(C)C)n2)cc1 ZINC000427071893 974877772 /nfs/dbraw/zinc/87/77/72/974877772.db2.gz ABNJCMOQQXWBCO-UHFFFAOYSA-N -1 3 415.501 3.834 20 0 HHADHM C[C@@H]([N-]S(=O)(=O)c1cccc(C(F)(F)F)c1)c1nc(Cc2ccccc2)no1 ZINC000427276847 975020360 /nfs/dbraw/zinc/02/03/60/975020360.db2.gz QALJOABZDFNTGB-GFCCVEGCSA-N -1 3 411.405 3.719 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)Nc1c2c(cc3c1CCC3)CCC2 ZINC000427631565 975216871 /nfs/dbraw/zinc/21/68/71/975216871.db2.gz ZBKUKORKQWMCOV-UHFFFAOYSA-N -1 3 414.509 3.689 20 0 HHADHM O=C(Nc1cc(-c2ccc(Br)o2)no1)c1c[n-]c2ccccc2c1=O ZINC000427672497 975233318 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3 413.503 3.529 20 0 HHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NCc1ccc(Cl)cc1F ZINC000428275155 975589492 /nfs/dbraw/zinc/58/94/92/975589492.db2.gz GKYGBMMTBLJCRZ-UHFFFAOYSA-N -1 3 400.841 3.594 20 0 HHADHM Cc1nc(C)c(CC(=O)N[C@H](CC2CC2)c2cc(F)cc(Br)c2)c(=O)[n-]1 ZINC000428785140 976059872 /nfs/dbraw/zinc/05/98/72/976059872.db2.gz PWISFBRJPRUNEO-QGZVFWFLSA-N -1 3 422.298 3.901 20 0 HHADHM COc1cccc(C(=O)NCc2ccc([O-])c(Br)c2)c1OC(F)F ZINC000428866232 976155612 /nfs/dbraw/zinc/15/56/12/976155612.db2.gz IVXNKXDZAOHCRX-UHFFFAOYSA-N -1 3 402.191 3.695 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)[C@@H]1CCCCN1C(=O)c1cccs1 ZINC000428870325 976160406 /nfs/dbraw/zinc/16/04/06/976160406.db2.gz DQGBRBWMMSKZHW-AWEZNQCLSA-N -1 3 423.332 3.527 20 0 HHADHM Cc1cc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(C)(C)CO)sc1Br ZINC000429331827 976596153 /nfs/dbraw/zinc/59/61/53/976596153.db2.gz LLMLQOWXCSBOEB-AWEZNQCLSA-N -1 3 418.378 3.857 20 0 HHADHM CCCc1c(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)cnn1-c1ccccc1C ZINC000429692014 976984244 /nfs/dbraw/zinc/98/42/44/976984244.db2.gz YWPKXCSGGQHEMD-UHFFFAOYSA-N -1 3 407.400 3.592 20 0 HHADHM Cc1sc(C[N-]S(=O)(=O)c2c(Cl)cnn2C)nc1-c1ccc(Cl)cc1 ZINC000429821308 977092592 /nfs/dbraw/zinc/09/25/92/977092592.db2.gz PUKYSPDUCUGPLP-UHFFFAOYSA-N -1 3 417.343 3.637 20 0 HHADHM Cc1noc(C)c1[C@H](C)C[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429856645 977127858 /nfs/dbraw/zinc/12/78/58/977127858.db2.gz YUYDEVNBKHOOPX-MRVPVSSYSA-N -1 3 407.717 3.789 20 0 HHADHM Cc1cnc([C@H](C)C[N-]S(=O)(=O)c2cc(Cl)ccc2Br)s1 ZINC000429889265 977165788 /nfs/dbraw/zinc/16/57/88/977165788.db2.gz HVBPPAKOXYSGRR-MRVPVSSYSA-N -1 3 409.758 3.949 20 0 HHADHM NC(=O)CSc1ccccc1[N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000430071773 977308209 /nfs/dbraw/zinc/30/82/09/977308209.db2.gz OVOQMCFWVJPSEG-UHFFFAOYSA-N -1 3 405.328 3.513 20 0 HHADHM CN(C(=O)[C@@H]1CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C1)c1ccccc1 ZINC000430323843 977477010 /nfs/dbraw/zinc/47/70/10/977477010.db2.gz PCZXOWVBBOSTKB-OAHLLOKOSA-N -1 3 402.454 3.567 20 0 HHADHM CCOC(=O)c1csc(C2CCN(C(=O)CCCc3ccc([O-])c(F)c3)CC2)n1 ZINC000430351343 977496012 /nfs/dbraw/zinc/49/60/12/977496012.db2.gz JOGOSANTIOABHG-UHFFFAOYSA-N -1 3 420.506 3.893 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)NC[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000430479910 977586808 /nfs/dbraw/zinc/58/68/08/977586808.db2.gz DBBZVBRJVRWBNU-GGAORHGYSA-N -1 3 403.469 3.883 20 0 HHADHM CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)N(C)c2ccc(OC(C)C)cc2)cc1 ZINC000430523725 977612826 /nfs/dbraw/zinc/61/28/26/977612826.db2.gz AWHJKDFQSXNVOM-UHFFFAOYSA-N -1 3 420.531 3.666 20 0 HHADHM CC1(C)CC[C@H](CNC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)O1 ZINC000430575378 977639701 /nfs/dbraw/zinc/63/97/01/977639701.db2.gz KNOGOIYYIUVJNU-SNVBAGLBSA-N -1 3 413.699 3.631 20 0 HHADHM CC(C)OCCCCNC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430585101 977644619 /nfs/dbraw/zinc/64/46/19/977644619.db2.gz WHZIRRLYQJCKKB-UHFFFAOYSA-N -1 3 415.715 3.879 20 0 HHADHM CSC[C@H]1CCCN1C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430586916 977645392 /nfs/dbraw/zinc/64/53/92/977645392.db2.gz XQDHIEBIMXCNRQ-SNVBAGLBSA-N -1 3 415.740 3.912 20 0 HHADHM C[C@H](Cc1ccncc1)NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430606669 977653066 /nfs/dbraw/zinc/65/30/66/977653066.db2.gz XMIRSPIUCSMFLY-SNVBAGLBSA-N -1 3 420.694 3.700 20 0 HHADHM COC(C)(C)C[C@@H](C)NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430654023 977670427 /nfs/dbraw/zinc/67/04/27/977670427.db2.gz QKOOFGPHYYBGBL-SECBINFHSA-N -1 3 415.715 3.877 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)NCc1c(F)cc(F)c(F)c1F ZINC000430889259 977855987 /nfs/dbraw/zinc/85/59/87/977855987.db2.gz KOIYACZFBVJKLO-UHFFFAOYSA-N -1 3 407.161 3.711 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@H]3C[C@@H]3C3CC3)ccc2C)cc1 ZINC000431264174 978150013 /nfs/dbraw/zinc/15/00/13/978150013.db2.gz QGNZOFLCXBWLGT-MOPGFXCFSA-N -1 3 400.500 3.789 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2ccn(C3CCCC3)n2)s1 ZINC000431266187 978151826 /nfs/dbraw/zinc/15/18/26/978151826.db2.gz NVIUVJDMBQHAJS-UHFFFAOYSA-N -1 3 404.355 3.609 20 0 HHADHM C[C@@H](O)C[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1ccccc1 ZINC000431281809 978167263 /nfs/dbraw/zinc/16/72/63/978167263.db2.gz SGYGZDFRNBQGJP-TZMCWYRMSA-N -1 3 405.413 3.678 20 0 HHADHM C[C@H](O)C[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1ccccc1 ZINC000431281806 978167563 /nfs/dbraw/zinc/16/75/63/978167563.db2.gz SGYGZDFRNBQGJP-GXTWGEPZSA-N -1 3 405.413 3.678 20 0 HHADHM COc1cc(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)F)ccc1Br ZINC000431616951 978388169 /nfs/dbraw/zinc/38/81/69/978388169.db2.gz KOUALPQBBPDVES-CQSZACIVSA-N -1 3 406.248 3.742 20 0 HHADHM COC(=O)c1cc(S(=O)(=O)[N-][C@H](c2ccccc2)c2ccc(F)cc2)oc1C ZINC000431811928 978531593 /nfs/dbraw/zinc/53/15/93/978531593.db2.gz PZFCCJNXRQUGGS-LJQANCHMSA-N -1 3 403.431 3.582 20 0 HHADHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)c2nc(-c3ccccc3)cs2)oc1C ZINC000431845140 978549127 /nfs/dbraw/zinc/54/91/27/978549127.db2.gz ZFGLPSYBOCZGHI-NSHDSACASA-N -1 3 406.485 3.538 20 0 HHADHM COC(=O)c1sccc1S(=O)(=O)[N-]CC[C@H](c1ccccc1)C(F)(F)F ZINC000432276572 978739620 /nfs/dbraw/zinc/73/96/20/978739620.db2.gz YOSQLNCPVQFRAC-GFCCVEGCSA-N -1 3 407.435 3.549 20 0 HHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2cc(Br)ccn2)c1Cl ZINC000432303946 978753881 /nfs/dbraw/zinc/75/38/81/978753881.db2.gz SYFZZDCYXZOLRW-UHFFFAOYSA-N -1 3 410.120 3.938 20 0 HHADHM CC(C)(C)OC1CC(CC[N-]S(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000432318248 978759230 /nfs/dbraw/zinc/75/92/30/978759230.db2.gz QSTAXPDKHOCKMI-UHFFFAOYSA-N -1 3 408.333 3.850 20 0 HHADHM CN(C)[C@@H]1CCOc2c([N-]S(=O)(=O)c3cccc(Br)c3)cccc21 ZINC000432470518 978831350 /nfs/dbraw/zinc/83/13/50/978831350.db2.gz UBELRTZKGZDZCE-MRXNPFEDSA-N -1 3 411.321 3.635 20 0 HHADHM COc1cc(C)ccc1-c1noc(CS(=O)(=O)[N-]c2ccc(OC(C)C)cc2)n1 ZINC000432528969 978866451 /nfs/dbraw/zinc/86/64/51/978866451.db2.gz CBGOHDBVPDTPMX-UHFFFAOYSA-N -1 3 417.487 3.783 20 0 HHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1nnc([C@@H]2CCCc3ccccc32)s1 ZINC000432577287 978897151 /nfs/dbraw/zinc/89/71/51/978897151.db2.gz YMYSUXBRORXXRW-CYBMUJFWSA-N -1 3 413.528 3.785 20 0 HHADHM Cc1c(Br)ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)c1F ZINC000432639986 978921092 /nfs/dbraw/zinc/92/10/92/978921092.db2.gz BONHXXYNSALMCN-UHFFFAOYSA-N -1 3 411.252 3.539 20 0 HHADHM COC(=O)c1cnc(SCC(=O)N2CCc3sccc3[C@H]2c2ccccc2)[n-]1 ZINC000432670991 978931252 /nfs/dbraw/zinc/93/12/52/978931252.db2.gz PMYVMYJJMUOODT-GOSISDBHSA-N -1 3 413.524 3.524 20 0 HHADHM CN(C)c1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3cccs3)c2)cc1 ZINC000432771807 978969476 /nfs/dbraw/zinc/96/94/76/978969476.db2.gz MSAKVSMTCNIESH-UHFFFAOYSA-N -1 3 401.513 3.867 20 0 HHADHM C[C@H](CC(=O)Nc1ccccc1[N-]S(C)(=O)=O)c1ccc(Br)cc1 ZINC000432771767 978969562 /nfs/dbraw/zinc/96/95/62/978969562.db2.gz ZFZPYGWYJHRHPZ-GFCCVEGCSA-N -1 3 411.321 3.953 20 0 HHADHM CN(C)c1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc(F)c3)c2)cc1 ZINC000432771569 978969580 /nfs/dbraw/zinc/96/95/80/978969580.db2.gz LQKTZSIBZQNTAV-UHFFFAOYSA-N -1 3 413.474 3.945 20 0 HHADHM CN(C)c1ccc(S(=O)(=O)[N-]c2cccc(C[S@](=O)c3ccccc3)c2)cc1 ZINC000432782647 978973048 /nfs/dbraw/zinc/97/30/48/978973048.db2.gz UXZYOTKSUIAWBI-MHZLTWQESA-N -1 3 414.552 3.861 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)Nc3ccc(Cl)cc3F)c2)[n-]1 ZINC000432905013 979006697 /nfs/dbraw/zinc/00/66/97/979006697.db2.gz JXALMERRJAUEJG-UHFFFAOYSA-N -1 3 417.828 3.763 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)Nc3ccc(Cl)cc3F)c2)n[n-]1 ZINC000432905013 979006701 /nfs/dbraw/zinc/00/67/01/979006701.db2.gz JXALMERRJAUEJG-UHFFFAOYSA-N -1 3 417.828 3.763 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNc3nc(C(F)F)nc4ccccc43)c2)[n-]1 ZINC000432927594 979013874 /nfs/dbraw/zinc/01/38/74/979013874.db2.gz NBYBUWUMEPPCEC-UHFFFAOYSA-N -1 3 424.411 4.141 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNc3nc(C(F)F)nc4ccccc43)c2)n[n-]1 ZINC000432927594 979013878 /nfs/dbraw/zinc/01/38/78/979013878.db2.gz NBYBUWUMEPPCEC-UHFFFAOYSA-N -1 3 424.411 4.141 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc([C@@H](C)N3CCOCC3)cc2)cc1Cl ZINC000432952504 979021476 /nfs/dbraw/zinc/02/14/76/979021476.db2.gz ZHAYQKYEUPALLD-OAHLLOKOSA-N -1 3 424.950 3.851 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)NCC3(CO)CC(c4ccccc4)C3)cc2)cc(=O)[n-]1 ZINC000432961927 979025934 /nfs/dbraw/zinc/02/59/34/979025934.db2.gz VDOMZLYWFUAVLM-UHFFFAOYSA-N -1 3 418.497 3.835 20 0 HHADHM O=C(Cc1cccc(OCC(F)(F)F)c1)NCc1ccc([O-])c(Br)c1 ZINC000433014297 979042164 /nfs/dbraw/zinc/04/21/64/979042164.db2.gz RNJYSBLFUPWUAM-UHFFFAOYSA-N -1 3 418.209 3.955 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)Nc3ccc4ncsc4c3)c2)[n-]1 ZINC000433236094 979168081 /nfs/dbraw/zinc/16/80/81/979168081.db2.gz WYTUKJULJSVZBE-UHFFFAOYSA-N -1 3 422.470 3.580 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)Nc3ccc4ncsc4c3)c2)n[n-]1 ZINC000433236094 979168092 /nfs/dbraw/zinc/16/80/92/979168092.db2.gz WYTUKJULJSVZBE-UHFFFAOYSA-N -1 3 422.470 3.580 20 0 HHADHM O=C(Nc1cccc(C[S@](=O)Cc2ccccc2)c1)c1cc(F)cc2n[n-]nc21 ZINC000433350515 979253654 /nfs/dbraw/zinc/25/36/54/979253654.db2.gz FLPMTWUFFBEDEX-GDLZYMKVSA-N -1 3 408.458 3.798 20 0 HHADHM Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000433358781 979255498 /nfs/dbraw/zinc/25/54/98/979255498.db2.gz DSGBWMPRRCMGLJ-UHFFFAOYSA-N -1 3 409.461 3.922 20 0 HHADHM O=S(=O)([N-]Cc1noc(-c2ccccc2F)n1)c1ccc(F)cc1C(F)(F)F ZINC000433469723 979322922 /nfs/dbraw/zinc/32/29/22/979322922.db2.gz IUJQSEIFFGJNMS-UHFFFAOYSA-N -1 3 419.331 3.512 20 0 HHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C(=O)NCC2CCCC2)c1Cl ZINC000433481534 979329081 /nfs/dbraw/zinc/32/90/81/979329081.db2.gz VMUGSFSWZDTZDZ-UHFFFAOYSA-N -1 3 407.363 3.665 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)N[C@H]3CCOC4(CCSCC4)C3)cc2)cc(=O)[n-]1 ZINC000433663007 979463800 /nfs/dbraw/zinc/46/38/00/979463800.db2.gz GGGUERBATXNCIY-KRWDZBQOSA-N -1 3 414.531 3.724 20 0 HHADHM CO[C@@H](C[N-]S(=O)(=O)c1cc(C)c(Br)s1)c1ccc(F)cc1 ZINC000433671182 979471580 /nfs/dbraw/zinc/47/15/80/979471580.db2.gz FVIKUZJEUYYWDY-LBPRGKRZSA-N -1 3 408.314 3.624 20 0 HHADHM CSC1(CNC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)ccc2C)CCC1 ZINC000433689813 979486654 /nfs/dbraw/zinc/48/66/54/979486654.db2.gz RBNHOMACWSGGCN-UHFFFAOYSA-N -1 3 422.547 3.950 20 0 HHADHM Cc1nc(C)c(CCC(=O)N2CC3(CCC3)c3cc(Br)ccc32)c(=O)[n-]1 ZINC000433734977 979530831 /nfs/dbraw/zinc/53/08/31/979530831.db2.gz GVTKBVVXCPFLMN-UHFFFAOYSA-N -1 3 416.319 3.963 20 0 HHADHM C[C@@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000433997040 979745463 /nfs/dbraw/zinc/74/54/63/979745463.db2.gz LIMVNDSQKYJYSQ-KPZWWZAWSA-N -1 3 405.292 3.688 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CC[C@H](c3ccccc3)[C@H]2C)cc1OC ZINC000434006854 979753726 /nfs/dbraw/zinc/75/37/26/979753726.db2.gz RLDUAEXWXUNCPF-QAPCUYQASA-N -1 3 417.531 3.867 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(-c3ccc(C(C)(C)C)cc3)no2)c(C)o1 ZINC000434071369 979812512 /nfs/dbraw/zinc/81/25/12/979812512.db2.gz LVQLMWJKCCUFKS-UHFFFAOYSA-N -1 3 417.487 3.701 20 0 HHADHM CCN(C(=O)c1cc(S(=O)(=O)[N-]C)oc1C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000434086796 979834786 /nfs/dbraw/zinc/83/47/86/979834786.db2.gz HXPZGEUKBWPCSG-LLVKDONJSA-N -1 3 418.437 3.738 20 0 HHADHM CCCNc1ccc(CNC(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)cc1 ZINC000434155262 979917257 /nfs/dbraw/zinc/91/72/57/979917257.db2.gz WOIJHESNLXIKRC-UHFFFAOYSA-N -1 3 420.535 3.600 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)N[C@@H](C)c3cc(C)cc(C)c3)c2)[n-]1 ZINC000434189554 979955299 /nfs/dbraw/zinc/95/52/99/979955299.db2.gz CMNKTVLEDJXTEV-INIZCTEOSA-N -1 3 421.501 3.826 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)N[C@@H](C)c3cc(C)cc(C)c3)c2)n[n-]1 ZINC000434189554 979955303 /nfs/dbraw/zinc/95/53/03/979955303.db2.gz CMNKTVLEDJXTEV-INIZCTEOSA-N -1 3 421.501 3.826 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H](C)c2ccc(Cl)cc2Cl)c(C)o1 ZINC000434221276 979990925 /nfs/dbraw/zinc/99/09/25/979990925.db2.gz VMDRMGUIVYAHCZ-SECBINFHSA-N -1 3 405.303 3.636 20 0 HHADHM Cc1cc(CCC(=O)Nc2ccccc2[N-]S(C)(=O)=O)ccc1Br ZINC000434229912 980000848 /nfs/dbraw/zinc/00/08/48/980000848.db2.gz XKQUTRDJTRMHRF-UHFFFAOYSA-N -1 3 411.321 3.700 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2O[C@@H](C)c2ccccc2)c(C)o1 ZINC000434263131 980026495 /nfs/dbraw/zinc/02/64/95/980026495.db2.gz DEZKQWVXYVDZAF-AWEZNQCLSA-N -1 3 414.483 3.888 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)N[C@@H](C)[C@@H](C)c3ccccc3)c2)[n-]1 ZINC000434396854 980140788 /nfs/dbraw/zinc/14/07/88/980140788.db2.gz UOYACQVEHLERSK-CVEARBPZSA-N -1 3 421.501 3.640 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)N[C@@H](C)[C@@H](C)c3ccccc3)c2)n[n-]1 ZINC000434396854 980140794 /nfs/dbraw/zinc/14/07/94/980140794.db2.gz UOYACQVEHLERSK-CVEARBPZSA-N -1 3 421.501 3.640 20 0 HHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CCSC(C)(C)CC3)nc(=O)c2c1C ZINC000434694565 980344959 /nfs/dbraw/zinc/34/49/59/980344959.db2.gz TWEHFIZDIDWIOI-LBPRGKRZSA-N -1 3 409.577 3.748 20 0 HHADHM CCc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3c(C)cc(C)cc3OC)n2)cc1 ZINC000434742227 980374361 /nfs/dbraw/zinc/37/43/61/980374361.db2.gz ARNVIKUHISQAQF-OAHLLOKOSA-N -1 3 415.515 3.964 20 0 HHADHM COc1cc(F)c([N-]S(=O)(=O)c2cccc(C)c2Br)cc1OC ZINC000435132657 980663929 /nfs/dbraw/zinc/66/39/29/980663929.db2.gz KICUHOPUVPXBLS-UHFFFAOYSA-N -1 3 404.257 3.715 20 0 HHADHM O=S(=O)([N-][C@@H]1C[C@@H]1c1c(F)cccc1F)c1cc(F)ccc1Br ZINC000435209639 980723455 /nfs/dbraw/zinc/72/34/55/980723455.db2.gz CYKZTZNFRZOZBZ-TVQRCGJNSA-N -1 3 406.223 3.701 20 0 HHADHM O=S(=O)([N-][C@@H]1CCCOc2ccccc21)c1cc(F)ccc1Br ZINC000435216573 980728072 /nfs/dbraw/zinc/72/80/72/980728072.db2.gz ZKKNPZHKQSWPFG-CQSZACIVSA-N -1 3 400.269 3.780 20 0 HHADHM CCOc1ccccc1CC[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000435224774 980732788 /nfs/dbraw/zinc/73/27/88/980732788.db2.gz GHDXSTKOWNKGGT-UHFFFAOYSA-N -1 3 402.285 3.508 20 0 HHADHM CN1CC[C@@H]([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)[C@H]1c1ccccc1 ZINC000435429589 980858121 /nfs/dbraw/zinc/85/81/21/980858121.db2.gz YBJFIYATUVSMPH-HZPDHXFCSA-N -1 3 403.306 3.856 20 0 HHADHM COc1cc(C)c([N-]S(=O)(=O)c2ccc(OC)c(Br)c2)cc1C ZINC000435724635 981003843 /nfs/dbraw/zinc/00/38/43/981003843.db2.gz CYYSLHABRXBKKG-UHFFFAOYSA-N -1 3 400.294 3.884 20 0 HHADHM CCc1noc2ncc(S(=O)(=O)[N-]c3cc4c(cc3Br)CCC4)cc12 ZINC000435735637 981009365 /nfs/dbraw/zinc/00/93/65/981009365.db2.gz ORZCQTJACZNGJG-UHFFFAOYSA-N -1 3 422.304 3.837 20 0 HHADHM CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2cc3[nH]ccc3cc2C)cc1 ZINC000436159683 981226984 /nfs/dbraw/zinc/22/69/84/981226984.db2.gz IVFCPEQCSSOFFK-UHFFFAOYSA-N -1 3 421.544 3.819 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc[nH]c(=O)c3Br)c2)n1 ZINC000436268354 981277968 /nfs/dbraw/zinc/27/79/68/981277968.db2.gz GKMVJLPAODKVPC-UHFFFAOYSA-N -1 3 415.247 3.527 20 0 HHADHM CC(C)c1ccc(C(=O)N2CCCN(Cc3noc(C(C)(C)C)n3)CC2)c([O-])c1 ZINC000436483959 981396104 /nfs/dbraw/zinc/39/61/04/981396104.db2.gz GINHFIUMKBMCGQ-UHFFFAOYSA-N -1 3 400.523 3.544 20 0 HHADHM C[C@@H](NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000436497745 981401838 /nfs/dbraw/zinc/40/18/38/981401838.db2.gz UJPVMJOBUPBALU-CQSZACIVSA-N -1 3 421.419 3.640 20 0 HHADHM CCOC1(CNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCCC1 ZINC000436525383 981418210 /nfs/dbraw/zinc/41/82/10/981418210.db2.gz NGAZRTOWAFRXBB-OAQYLSRUSA-N -1 3 410.514 3.719 20 0 HHADHM CN(CC(=O)NCc1ccccc1)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436525582 981418283 /nfs/dbraw/zinc/41/82/83/981418283.db2.gz BMGBCYFEGOGOJV-UHFFFAOYSA-N -1 3 402.494 3.566 20 0 HHADHM CC(C)Oc1ccc(NC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c(F)c1 ZINC000436525152 981418292 /nfs/dbraw/zinc/41/82/92/981418292.db2.gz MSRBFDKNBMHXLW-UHFFFAOYSA-N -1 3 415.465 3.745 20 0 HHADHM CC(C)CC[C@@](C)(O)CNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436526912 981419986 /nfs/dbraw/zinc/41/99/86/981419986.db2.gz JRBLZNFVRMRBKH-ZJSXRUAMSA-N -1 3 412.530 3.557 20 0 HHADHM C[C@@H](NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(Cl)cc1Cl ZINC000436532751 981424066 /nfs/dbraw/zinc/42/40/66/981424066.db2.gz GMJKPPZSVXRRQW-CYBMUJFWSA-N -1 3 422.312 3.928 20 0 HHADHM O=C(Cc1ccc(NC(=O)c2cc3c(cc2[O-])OCO3)cc1)N1CCc2ccccc21 ZINC000436543405 981431946 /nfs/dbraw/zinc/43/19/46/981431946.db2.gz HMGNETGWKGKUFA-UHFFFAOYSA-N -1 3 416.433 3.505 20 0 HHADHM O=C(NCc1ccco1)[C@@H]1CCCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436549399 981435460 /nfs/dbraw/zinc/43/54/60/981435460.db2.gz PSQHFMLLVNAAEN-FQEVSTJZSA-N -1 3 406.438 3.699 20 0 HHADHM CC[C@H](c1nnc(N2CCN(C(=O)c3ccccc3[O-])CC2)n1CC)c1ccccc1 ZINC000436550484 981436561 /nfs/dbraw/zinc/43/65/61/981436561.db2.gz ZFJKYLXWAFZVAB-IBGZPJMESA-N -1 3 419.529 3.508 20 0 HHADHM C[C@H](c1cccnc1)N1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000436553478 981438870 /nfs/dbraw/zinc/43/88/70/981438870.db2.gz GWOKWNSMTAMUFJ-LJQANCHMSA-N -1 3 401.510 3.897 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000436554622 981440295 /nfs/dbraw/zinc/44/02/95/981440295.db2.gz GMLAPLFRZIYFKU-BPJRBCGYSA-N -1 3 412.489 3.708 20 0 HHADHM C[C@H](Cc1cccc(O)c1)NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436555970 981441204 /nfs/dbraw/zinc/44/12/04/981441204.db2.gz JXNXWKSEOWREQC-HXOBKFHXSA-N -1 3 418.493 3.706 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@H]1CCOC2(CCCC2)C1 ZINC000436558641 981443279 /nfs/dbraw/zinc/44/32/79/981443279.db2.gz QYPCDLJSUYVOLI-RBBKRZOGSA-N -1 3 422.525 3.861 20 0 HHADHM COc1ccc(Cl)cc1C[C@@H]1CCCN(C(=O)c2cc3c(cc2[O-])OCO3)C1 ZINC000436560701 981444604 /nfs/dbraw/zinc/44/46/04/981444604.db2.gz GUVVXQJBPHRCSX-ZDUSSCGKSA-N -1 3 403.862 3.878 20 0 HHADHM CN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436561823 981445391 /nfs/dbraw/zinc/44/53/91/981445391.db2.gz KPKRMLPWAVCBTL-QGZVFWFLSA-N -1 3 406.404 3.674 20 0 HHADHM CCCc1cc(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)n(C)n1 ZINC000436563288 981446383 /nfs/dbraw/zinc/44/63/83/981446383.db2.gz LEKWKYRKMAMPAK-HXUWFJFHSA-N -1 3 406.486 3.578 20 0 HHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCS(=O)(=O)c2ccccc2C1 ZINC000436564627 981446916 /nfs/dbraw/zinc/44/69/16/981446916.db2.gz LDDDACRYKULLJE-UHFFFAOYSA-N -1 3 421.518 3.607 20 0 HHADHM CSc1cc(CNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)ccn1 ZINC000436565897 981448654 /nfs/dbraw/zinc/44/86/54/981448654.db2.gz SDYZLYOHFLXNSF-FQEVSTJZSA-N -1 3 421.522 3.687 20 0 HHADHM CCc1nsc(N2CCCN(C(=O)c3cc(Cc4ccccc4)ccc3[O-])CC2)n1 ZINC000436570618 981450847 /nfs/dbraw/zinc/45/08/47/981450847.db2.gz AABYNGNTIHWRQX-UHFFFAOYSA-N -1 3 422.554 3.749 20 0 HHADHM CS(=O)(=O)c1ccc(CNC(=O)c2cc(CCc3ccccc3)ccc2[O-])cc1 ZINC000436573065 981452712 /nfs/dbraw/zinc/45/27/12/981452712.db2.gz HABKQXYIIRHXFZ-UHFFFAOYSA-N -1 3 409.507 3.511 20 0 HHADHM C[C@@H](NC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-])c1nc[nH]n1 ZINC000436573881 981453535 /nfs/dbraw/zinc/45/35/35/981453535.db2.gz JDKHSCWBGISFGF-SECBINFHSA-N -1 3 420.256 3.560 20 0 HHADHM CN(C(=O)c1cc(Oc2ccccc2)ccc1[O-])[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000436582361 981459403 /nfs/dbraw/zinc/45/94/03/981459403.db2.gz HMQKSFTVBGIGQM-ICSRJNTNSA-N -1 3 403.500 3.612 20 0 HHADHM Cn1cc(C(=O)C[C@@H]2CCCN2C(=O)c2cc(Cc3ccccc3)ccc2[O-])cn1 ZINC000436595765 981465504 /nfs/dbraw/zinc/46/55/04/981465504.db2.gz NVWVOUZXAQMUCV-FQEVSTJZSA-N -1 3 403.482 3.594 20 0 HHADHM O=C(NC1CCCCC1)N1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000436596215 981465782 /nfs/dbraw/zinc/46/57/82/981465782.db2.gz LKSZKDHMMIKOSW-UHFFFAOYSA-N -1 3 421.541 3.783 20 0 HHADHM COCCN(Cc1sccc1Br)C(=O)c1ccc(OC)cc1[O-] ZINC000436600201 981467984 /nfs/dbraw/zinc/46/79/84/981467984.db2.gz FHOWPKKBDMAVNX-UHFFFAOYSA-N -1 3 400.294 3.514 20 0 HHADHM COc1ccc(C(=O)NC2(c3noc([C@H]4CCCO4)n3)CCCCCC2)c([O-])c1 ZINC000436602991 981469219 /nfs/dbraw/zinc/46/92/19/981469219.db2.gz KXYGSJZLRRKNPB-QGZVFWFLSA-N -1 3 401.463 3.615 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@H]1CCc2ccccc2C1 ZINC000436606893 981470958 /nfs/dbraw/zinc/47/09/58/981470958.db2.gz RBSXUTAFEKYQMN-UPVQGACJSA-N -1 3 414.505 3.927 20 0 HHADHM O=C(c1ccccc1[O-])N1CCN(Cc2cc(Br)c(Cl)s2)CC1 ZINC000436617739 981476565 /nfs/dbraw/zinc/47/65/65/981476565.db2.gz LPWLYKYWARKHQX-UHFFFAOYSA-N -1 3 415.740 3.828 20 0 HHADHM CN(C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1ccc2c(c1)OCO2 ZINC000436621412 981478939 /nfs/dbraw/zinc/47/89/39/981478939.db2.gz BJCGLGGDVRSPHS-HXUWFJFHSA-N -1 3 418.449 3.645 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NC1(C(F)(F)F)CCC1 ZINC000436621328 981479039 /nfs/dbraw/zinc/47/90/39/981479039.db2.gz VNVZHTZSOZZFPT-QGZVFWFLSA-N -1 3 406.404 3.855 20 0 HHADHM CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436626696 981481972 /nfs/dbraw/zinc/48/19/72/981481972.db2.gz QFNBWEWAEHHVKF-WNYOCNMUSA-N -1 3 416.905 3.543 20 0 HHADHM CC(=O)Nc1ccc(NC(=O)Cc2csc(NC(=O)c3cc(C)ccc3[O-])n2)cc1 ZINC000436626818 981482054 /nfs/dbraw/zinc/48/20/54/981482054.db2.gz LKFRVNKUZYKCQO-UHFFFAOYSA-N -1 3 424.482 3.549 20 0 HHADHM CC(C)(NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1nccs1 ZINC000436628475 981482599 /nfs/dbraw/zinc/48/25/99/981482599.db2.gz ZCBKHHIGHPAXEF-SFHVURJKSA-N -1 3 409.511 3.761 20 0 HHADHM C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])c1cccc(OC(F)(F)F)c1 ZINC000436628192 981482646 /nfs/dbraw/zinc/48/26/46/981482646.db2.gz XJYGTKXQKKZUDC-GUYCJALGSA-N -1 3 422.403 3.773 20 0 HHADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000436630513 981483619 /nfs/dbraw/zinc/48/36/19/981483619.db2.gz NXAVRBIREUIZPU-UHFFFAOYSA-N -1 3 412.795 3.663 20 0 HHADHM Cc1c(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cccc1OCC(F)(F)F ZINC000436630651 981483770 /nfs/dbraw/zinc/48/37/70/981483770.db2.gz PBUTXPVRVYVFEB-MRXNPFEDSA-N -1 3 422.403 3.885 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)NCCc2nc(C3CCCCC3)cs2)c([O-])c1 ZINC000436633124 981484302 /nfs/dbraw/zinc/48/43/02/981484302.db2.gz FPDPRHREQIMMCP-UHFFFAOYSA-N -1 3 415.559 3.684 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NC[C@H](CO)C1CCCCC1 ZINC000436633788 981484391 /nfs/dbraw/zinc/48/43/91/981484391.db2.gz MGTXJQJHHVOTOV-FYYLOGMGSA-N -1 3 424.541 3.558 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccccc2NC(=O)C[C@@H]2C=CCC2)c([O-])c1 ZINC000436634727 981485162 /nfs/dbraw/zinc/48/51/62/981485162.db2.gz IVYVBNLJRSGQRV-QGZVFWFLSA-N -1 3 421.497 3.754 20 0 HHADHM CC(=O)c1cccc(NC(=O)Cc2csc(NC(=O)c3cc(C)ccc3[O-])n2)c1 ZINC000436637004 981487121 /nfs/dbraw/zinc/48/71/21/981487121.db2.gz XZXJRCFUMCRSPQ-UHFFFAOYSA-N -1 3 409.467 3.793 20 0 HHADHM NC(=O)N1CCc2cc(NC(=O)c3cc(OCc4ccccc4)ccc3[O-])ccc21 ZINC000436639535 981488237 /nfs/dbraw/zinc/48/82/37/981488237.db2.gz LGVCCJBGPTZDNR-UHFFFAOYSA-N -1 3 403.438 3.665 20 0 HHADHM COc1cccc(C2(C(=O)NC3CCN(C(=O)c4ccccc4[O-])CC3)CCCC2)c1 ZINC000436641555 981489584 /nfs/dbraw/zinc/48/95/84/981489584.db2.gz OBQGSZKOQZHRMD-UHFFFAOYSA-N -1 3 422.525 3.634 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)c3cc(C(C)C)c(O)cc3C)c2)[n-]1 ZINC000436660770 981497591 /nfs/dbraw/zinc/49/75/91/981497591.db2.gz AYULYZYUMOZEFC-UHFFFAOYSA-N -1 3 422.485 3.716 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)c3cc(C(C)C)c(O)cc3C)c2)n[n-]1 ZINC000436660770 981497595 /nfs/dbraw/zinc/49/75/95/981497595.db2.gz AYULYZYUMOZEFC-UHFFFAOYSA-N -1 3 422.485 3.716 20 0 HHADHM Cc1nc(C)c([C@H](C)N(C)C(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])s1 ZINC000436662472 981498260 /nfs/dbraw/zinc/49/82/60/981498260.db2.gz DALKLAPMIGXHAH-NSHDSACASA-N -1 3 414.487 3.847 20 0 HHADHM O=C(Nc1nc(-c2cccc(F)c2)cs1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436662604 981498560 /nfs/dbraw/zinc/49/85/60/981498560.db2.gz JHBBLVPOWHYPGK-QGZVFWFLSA-N -1 3 411.458 3.898 20 0 HHADHM Cc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2N(C)C(=O)c2ccc(C)cc2O)c([O-])c1 ZINC000436664920 981499853 /nfs/dbraw/zinc/49/98/53/981499853.db2.gz PTCSRKNALZWCRM-WOJBJXKFSA-N -1 3 410.514 3.870 20 0 HHADHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000436666279 981499995 /nfs/dbraw/zinc/49/99/95/981499995.db2.gz QILKCHHDSCFLTK-DOTOQJQBSA-N -1 3 410.436 3.578 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)N2CCC(Oc3cc(C)ccc3C)CC2)c([O-])c1 ZINC000436666877 981500674 /nfs/dbraw/zinc/50/06/74/981500674.db2.gz ROURXEBHMGIUGZ-UHFFFAOYSA-N -1 3 410.514 3.507 20 0 HHADHM CCOc1ccccc1C1=CCN(C(=O)CCNC(=O)c2ccc(C)cc2[O-])CC1 ZINC000436668897 981501279 /nfs/dbraw/zinc/50/12/79/981501279.db2.gz ZYGFFZGBOOMWOV-UHFFFAOYSA-N -1 3 408.498 3.535 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)c2ccc(F)cc2F)c1 ZINC000436670146 981502585 /nfs/dbraw/zinc/50/25/85/981502585.db2.gz DHDRIHNMMSXUKZ-SNVBAGLBSA-N -1 3 401.369 3.710 20 0 HHADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)CC1 ZINC000436669973 981502775 /nfs/dbraw/zinc/50/27/75/981502775.db2.gz CGBZQYXQVQUHKI-DHIUTWEWSA-N -1 3 400.478 3.634 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCc2ccccc2OC(C)C)c1 ZINC000436672230 981504078 /nfs/dbraw/zinc/50/40/78/981504078.db2.gz MJYASIQNXDGYIZ-UHFFFAOYSA-N -1 3 409.442 3.658 20 0 HHADHM CCc1ccccc1O[C@@H](C(=O)NCCNC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436679651 981508146 /nfs/dbraw/zinc/50/81/46/981508146.db2.gz GWGACBBKJYRIGV-HSZRJFAPSA-N -1 3 418.493 3.621 20 0 HHADHM CCS[C@@H]1CCC[C@@H](NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])C1 ZINC000436681121 981508761 /nfs/dbraw/zinc/50/87/61/981508761.db2.gz PQDHYYCYPNRZMU-UKRRQHHQSA-N -1 3 403.504 3.735 20 0 HHADHM CCc1ccc([C@@H]2CCCN(C(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])C2)cc1 ZINC000436685255 981511583 /nfs/dbraw/zinc/51/15/83/981511583.db2.gz LFOZPGFOBFCEHS-IFMALSPDSA-N -1 3 406.526 3.965 20 0 HHADHM COc1cc(-c2nc(-c3cccc(C(=O)NCc4ccco4)c3)no2)cc(OC)c1[O-] ZINC000436688746 981513140 /nfs/dbraw/zinc/51/31/40/981513140.db2.gz LQEJQMCIXSFAKH-UHFFFAOYSA-N -1 3 421.409 3.649 20 0 HHADHM COc1cc(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])cc(S(C)(=O)=O)c1 ZINC000436690128 981514419 /nfs/dbraw/zinc/51/44/19/981514419.db2.gz YEDPQCWLROZLKO-UHFFFAOYSA-N -1 3 413.451 3.849 20 0 HHADHM C[C@H](NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(F)c2ccccc21 ZINC000436700981 981520561 /nfs/dbraw/zinc/52/05/61/981520561.db2.gz BGGKMMRYHWVIDC-INIZCTEOSA-N -1 3 421.472 3.913 20 0 HHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCN(c2ncccc2F)CC1 ZINC000436700949 981520705 /nfs/dbraw/zinc/52/07/05/981520705.db2.gz XPJBKMWORPWHEH-UHFFFAOYSA-N -1 3 405.473 3.674 20 0 HHADHM O=C(Nc1ccc2nc[nH]c2c1)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436709675 981524193 /nfs/dbraw/zinc/52/41/93/981524193.db2.gz OSMBMYXYSNZNFD-HXUWFJFHSA-N -1 3 400.438 3.665 20 0 HHADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CCC(Cc2cccc(F)c2)CC1 ZINC000436710764 981524960 /nfs/dbraw/zinc/52/49/60/981524960.db2.gz YMWQNJMFBLKMGE-OAQYLSRUSA-N -1 3 410.489 3.617 20 0 HHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000436731686 981536303 /nfs/dbraw/zinc/53/63/03/981536303.db2.gz QPAQFKAMNXTLMX-UGKGYDQZSA-N -1 3 404.510 3.599 20 0 HHADHM O=C(N[C@H]1CCCc2sc(Cl)cc21)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436739790 981539652 /nfs/dbraw/zinc/53/96/52/981539652.db2.gz QMLUXCHOFOGUCP-GJZGRUSLSA-N -1 3 404.919 3.906 20 0 HHADHM O=C(N[C@@H]1CCCC[C@H]1Cc1ccccc1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436741198 981540731 /nfs/dbraw/zinc/54/07/31/981540731.db2.gz SELNQZUFBMUDRB-JTHBVZDNSA-N -1 3 421.541 3.661 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)Nc2cnn(CCC(C)C)c2C(C)C)c([O-])c1 ZINC000436743411 981541526 /nfs/dbraw/zinc/54/15/26/981541526.db2.gz XZWLLHSPDOKWBH-UHFFFAOYSA-N -1 3 400.523 3.825 20 0 HHADHM COc1cccc([C@H](CNC(=O)c2cc(Cl)c([O-])c(OC)c2)N2CCCC2)c1 ZINC000436743363 981541595 /nfs/dbraw/zinc/54/15/95/981541595.db2.gz XVFMXQAWMMVKGX-SFHVURJKSA-N -1 3 404.894 3.630 20 0 HHADHM CCOc1ccccc1Oc1ccc(CNC(=O)c2cc(OC)c([O-])c(OC)c2)cn1 ZINC000436752857 981545957 /nfs/dbraw/zinc/54/59/57/981545957.db2.gz YYAQQYGYTVQDTP-UHFFFAOYSA-N -1 3 424.453 3.925 20 0 HHADHM CS(=O)(=O)Nc1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])cc1 ZINC000436758038 981548838 /nfs/dbraw/zinc/54/88/38/981548838.db2.gz XGHFGLISFRUASW-UHFFFAOYSA-N -1 3 412.467 3.595 20 0 HHADHM CCc1oc2ccccc2c1CN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436772070 981555004 /nfs/dbraw/zinc/55/50/04/981555004.db2.gz ZNTSKZVOIWWNRG-IBGZPJMESA-N -1 3 406.482 3.964 20 0 HHADHM CCCCc1ccc(C(=O)CCC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436779945 981558025 /nfs/dbraw/zinc/55/80/25/981558025.db2.gz YCWBNWQBFDSILN-UHFFFAOYSA-N -1 3 422.525 3.682 20 0 HHADHM C[C@H](CC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1)c1c[nH]c2ccccc21 ZINC000436784905 981559948 /nfs/dbraw/zinc/55/99/48/981559948.db2.gz SBCXLGYGLJHUKE-MRXNPFEDSA-N -1 3 405.498 3.788 20 0 HHADHM CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)c2cc(NC(C)=O)ccc2[O-])CC1 ZINC000436785688 981560696 /nfs/dbraw/zinc/56/06/96/981560696.db2.gz ABAOBZZTIXIKQF-FQEVSTJZSA-N -1 3 417.456 3.538 20 0 HHADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)c2ccc(OC3CCC3)cc2Cl)CC1 ZINC000436794583 981564913 /nfs/dbraw/zinc/56/49/13/981564913.db2.gz VQTJSPSGMQPDEV-UHFFFAOYSA-N -1 3 414.889 3.575 20 0 HHADHM CCc1ccc(C(=O)N2CCN([C@@H](C)c3nc(-c4ccc(C)cc4)no3)CC2)c([O-])c1 ZINC000436795954 981565654 /nfs/dbraw/zinc/56/56/54/981565654.db2.gz HEYBIUXZOZKCOU-KRWDZBQOSA-N -1 3 420.513 3.832 20 0 HHADHM COc1cccc(C(=O)Nc2cccc(NC(=O)COc3ccccc3OC)c2)c1[O-] ZINC000436797787 981567197 /nfs/dbraw/zinc/56/71/97/981567197.db2.gz IBGMWVXQHNRLOH-UHFFFAOYSA-N -1 3 422.437 3.679 20 0 HHADHM CCC1(CC)CN(C(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])CCS1 ZINC000436800682 981568176 /nfs/dbraw/zinc/56/81/76/981568176.db2.gz MOBGTSNCRPXJJU-UHFFFAOYSA-N -1 3 403.504 3.689 20 0 HHADHM CCc1ccc(C(=O)N2CCN([C@H](C)c3nc(-c4ccccc4)no3)CC2)c([O-])c1 ZINC000436811861 981572325 /nfs/dbraw/zinc/57/23/25/981572325.db2.gz LCQUTAUARQSRDY-MRXNPFEDSA-N -1 3 406.486 3.524 20 0 HHADHM CCN1CC[C@@H](NC(=O)c2cc(NC(C)=O)ccc2[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000436813584 981572834 /nfs/dbraw/zinc/57/28/34/981572834.db2.gz FALVZVHDJPEFKE-UYAOXDASSA-N -1 3 419.884 3.708 20 0 HHADHM CCc1ccc(C(=O)N2CCN([C@@H](C)c3nc(-c4cccs4)no3)CC2)c([O-])c1 ZINC000436818974 981575179 /nfs/dbraw/zinc/57/51/79/981575179.db2.gz HBFLXDWWTGZRSJ-AWEZNQCLSA-N -1 3 412.515 3.585 20 0 HHADHM COCC[C@H]1CCCCN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000436820534 981575903 /nfs/dbraw/zinc/57/59/03/981575903.db2.gz RRZBTHOKMGWITR-XXBNENTESA-N -1 3 424.541 3.919 20 0 HHADHM C[C@@H]1C[C@H](CCNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCO1 ZINC000436835421 981582368 /nfs/dbraw/zinc/58/23/68/981582368.db2.gz WDCYQZUHIHFQBS-JBYIUTFZSA-N -1 3 410.514 3.575 20 0 HHADHM O=C(Nc1ccc2[nH]c(C3CCC3)nc2c1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436839817 981585194 /nfs/dbraw/zinc/58/51/94/981585194.db2.gz NFYFPSGAGKDZEH-LJQANCHMSA-N -1 3 404.470 3.779 20 0 HHADHM O=C(Nc1ccc2[nH]c(-c3ccco3)nc2c1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436845465 981587231 /nfs/dbraw/zinc/58/72/31/981587231.db2.gz SOFOAUIGNWLLQT-SFHVURJKSA-N -1 3 416.437 3.772 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)N[C@@H](c2cccc(F)c2F)C(F)(F)F)c([O-])c1 ZINC000436846755 981587881 /nfs/dbraw/zinc/58/78/81/981587881.db2.gz NQFCIJMSLXCJDT-KRWDZBQOSA-N -1 3 416.346 3.519 20 0 HHADHM O=C(Nc1ccc(Oc2cccnc2)cc1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436861817 981596119 /nfs/dbraw/zinc/59/61/19/981596119.db2.gz WFUJNXZVKUPLJF-UHFFFAOYSA-N -1 3 418.453 3.569 20 0 HHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)C1(c2ccc(F)cc2F)CCC1 ZINC000436864683 981596627 /nfs/dbraw/zinc/59/66/27/981596627.db2.gz NTIFLLAJOSGMPV-UHFFFAOYSA-N -1 3 414.452 3.513 20 0 HHADHM O=C(NCCCCCOC1CCCCC1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436864285 981596649 /nfs/dbraw/zinc/59/66/49/981596649.db2.gz NFEMAMSXHCHYKR-FQEVSTJZSA-N -1 3 402.535 3.633 20 0 HHADHM C[C@@H](NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1cccc(Cl)c1Cl ZINC000436866461 981596872 /nfs/dbraw/zinc/59/68/72/981596872.db2.gz YJHQCJCOUPGNQZ-CYBMUJFWSA-N -1 3 422.312 3.928 20 0 HHADHM COc1ccc(CNC(=O)c2cc(OC)c([O-])c(OC)c2)c(OC2CCCC2)c1 ZINC000436867002 981597181 /nfs/dbraw/zinc/59/71/81/981597181.db2.gz BQPRGDBYJOEJPW-UHFFFAOYSA-N -1 3 401.459 3.669 20 0 HHADHM CC(C)c1ccc2c(c1)[C@H](NC(=O)N1CCN(C(=O)c3ccc([O-])cc3)CC1)CC2 ZINC000436871891 981598102 /nfs/dbraw/zinc/59/81/02/981598102.db2.gz UJSRCPZLPIRKHT-JOCHJYFZSA-N -1 3 407.514 3.671 20 0 HHADHM CC(C)(C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1)c1cccc(Cl)c1 ZINC000436872178 981598131 /nfs/dbraw/zinc/59/81/31/981598131.db2.gz SYXWUKXOKNREGF-UHFFFAOYSA-N -1 3 400.906 3.744 20 0 HHADHM O=C(CCC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1csc2ccccc12 ZINC000436887545 981601774 /nfs/dbraw/zinc/60/17/74/981601774.db2.gz QPJRCEMJNZOHAI-UHFFFAOYSA-N -1 3 422.506 3.554 20 0 HHADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)C2(c3ccc(F)cc3)CCCCC2)CC1 ZINC000436886609 981601791 /nfs/dbraw/zinc/60/17/91/981601791.db2.gz TUDOQAHUAATSRK-UHFFFAOYSA-N -1 3 410.489 3.718 20 0 HHADHM CC(C)[C@@H](C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1cccc(Cl)c1 ZINC000436886765 981601880 /nfs/dbraw/zinc/60/18/80/981601880.db2.gz OMPGWQALORZNLR-HXUWFJFHSA-N -1 3 400.906 3.770 20 0 HHADHM CCc1ccc(-c2ccc(C(=O)N3CCN(C(=O)c4ccccc4[O-])CC3)o2)cc1 ZINC000436888645 981602284 /nfs/dbraw/zinc/60/22/84/981602284.db2.gz VFBHDZJWHLFEEZ-UHFFFAOYSA-N -1 3 404.466 3.813 20 0 HHADHM CN(C)CCN(Cc1cccs1)C(=O)c1cc(F)cc(Br)c1[O-] ZINC000436890877 981602972 /nfs/dbraw/zinc/60/29/72/981602972.db2.gz VRLZDUHLHPHKRL-UHFFFAOYSA-N -1 3 401.301 3.559 20 0 HHADHM Cc1cc(CN2C(=O)c3ccccc3C2=O)cc(-c2nc(-c3ccccn3)no2)c1[O-] ZINC000436893242 981604001 /nfs/dbraw/zinc/60/40/01/981604001.db2.gz OSYGTVOXDCDPBX-UHFFFAOYSA-N -1 3 412.405 3.609 20 0 HHADHM O=C(N[C@H]1CC=C(c2ccc(F)cc2)CC1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436896278 981605156 /nfs/dbraw/zinc/60/51/56/981605156.db2.gz YFDJZSXBVGKOBT-NRFANRHFSA-N -1 3 423.488 3.635 20 0 HHADHM COc1ccccc1CNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436900884 981606970 /nfs/dbraw/zinc/60/69/70/981606970.db2.gz FAPWNVOIVBJXIO-OAQYLSRUSA-N -1 3 404.466 3.578 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCCc1ccccc1F ZINC000436902127 981608564 /nfs/dbraw/zinc/60/85/64/981608564.db2.gz IZASHKPIMVWEOQ-QFIPXVFZSA-N -1 3 406.457 3.751 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCc2ccccc2C1 ZINC000436903301 981609383 /nfs/dbraw/zinc/60/93/83/981609383.db2.gz MGYKRTUUIFLZII-HSZRJFAPSA-N -1 3 400.478 3.838 20 0 HHADHM CCOc1ccccc1CNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436905963 981611856 /nfs/dbraw/zinc/61/18/56/981611856.db2.gz POIYSPSUPXSEFV-QFIPXVFZSA-N -1 3 418.493 3.969 20 0 HHADHM COc1ccc(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cc1OC ZINC000436907762 981613316 /nfs/dbraw/zinc/61/33/16/981613316.db2.gz YORGJBLXRFYJJT-HXUWFJFHSA-N -1 3 420.465 3.909 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1nnc(C(F)F)s1 ZINC000436908211 981613837 /nfs/dbraw/zinc/61/38/37/981613837.db2.gz USZNPBNFMZYFPY-CQSZACIVSA-N -1 3 418.425 3.681 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCc2ccc(O)cc2C1 ZINC000436910478 981616252 /nfs/dbraw/zinc/61/62/52/981616252.db2.gz OHBMWXWCMNHIKE-HSZRJFAPSA-N -1 3 416.477 3.544 20 0 HHADHM CN(CCc1ccccc1)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436910694 981616849 /nfs/dbraw/zinc/61/68/49/981616849.db2.gz DEZALFVGARAMAK-HSZRJFAPSA-N -1 3 402.494 3.955 20 0 HHADHM CO[C@H](CNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1ccccc1 ZINC000436912783 981618565 /nfs/dbraw/zinc/61/85/65/981618565.db2.gz IGZSDXQDPWEVEZ-DHIUTWEWSA-N -1 3 418.493 3.757 20 0 HHADHM CN(C)c1ccccc1NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436913599 981619200 /nfs/dbraw/zinc/61/92/00/981619200.db2.gz VOGHMQVQMIBXGB-OAQYLSRUSA-N -1 3 403.482 3.958 20 0 HHADHM CN(C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C1Cc2ccccc2C1 ZINC000436915860 981620925 /nfs/dbraw/zinc/62/09/25/981620925.db2.gz SQOYETOXPXPJQG-DEOSSOPVSA-N -1 3 414.505 3.879 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCCCOc1ccccc1 ZINC000436917076 981621839 /nfs/dbraw/zinc/62/18/39/981621839.db2.gz YMJVQFQKOGFCGA-QHCPKHFHSA-N -1 3 418.493 3.839 20 0 HHADHM Cn1cccc1[C@H]1CCCN1C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436916499 981621965 /nfs/dbraw/zinc/62/19/65/981621965.db2.gz WUQJMDCBSJLPEK-FYYLOGMGSA-N -1 3 417.509 3.956 20 0 HHADHM CC(C)(C)n1cc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cn1 ZINC000436919138 981623725 /nfs/dbraw/zinc/62/37/25/981623725.db2.gz BLJDZFKGADKSQQ-FQEVSTJZSA-N -1 3 406.486 3.844 20 0 HHADHM COC[C@H](NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1ccccc1 ZINC000436920570 981624596 /nfs/dbraw/zinc/62/45/96/981624596.db2.gz HDAXRPLQMJRPKX-PKTZIBPZSA-N -1 3 418.493 3.757 20 0 HHADHM 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XQPTVXKKUJIQET-UHFFFAOYSA-N -1 3 424.419 3.539 20 0 HHADHM Cc1ccc(C(=O)NCCN(CCC(F)(F)F)C(=O)c2ccc(C)cc2O)c([O-])c1 ZINC000437004883 981681160 /nfs/dbraw/zinc/68/11/60/981681160.db2.gz XQPTVXKKUJIQET-UHFFFAOYSA-N -1 3 424.419 3.539 20 0 HHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N(Cc1ccccc1)CC(F)F ZINC000437169329 981822701 /nfs/dbraw/zinc/82/27/01/981822701.db2.gz ZBOAHLCKNNFASV-UHFFFAOYSA-N -1 3 412.440 3.779 20 0 HHADHM O=C([N-]c1cc(-c2cccc(F)c2)on1)c1ncoc1-c1ccc2c(c1)OCCO2 ZINC000448537404 981865255 /nfs/dbraw/zinc/86/52/55/981865255.db2.gz IAGYRGURHPLSSP-UHFFFAOYSA-N -1 3 407.357 4.159 20 0 HHADHM Cc1ccc(-c2nc(N(C)C)no2)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000460139976 981913204 /nfs/dbraw/zinc/91/32/04/981913204.db2.gz ALBXNLVATBTKJT-UHFFFAOYSA-N -1 3 410.858 3.704 20 0 HHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H](C)c2ccc(F)cc2F)cc1Cl ZINC000437331339 981982459 /nfs/dbraw/zinc/98/24/59/981982459.db2.gz FNHALSDKBOFTFL-QMMMGPOBSA-N -1 3 406.813 3.755 20 0 HHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cc3nnc4ccccn43)cc2)c(C)c1 ZINC000437408832 982051871 /nfs/dbraw/zinc/05/18/71/982051871.db2.gz QYDNAGWOZJPKPO-UHFFFAOYSA-N -1 3 422.510 3.828 20 0 HHADHM Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)o1 ZINC000437465891 982096796 /nfs/dbraw/zinc/09/67/96/982096796.db2.gz HBUOAUXFVXMMRV-DGCLKSJQSA-N -1 3 416.952 3.581 20 0 HHADHM O=S(=O)([N-]Cc1nnc(C2CC2)n1C1CC1)c1ccc(Cl)cc1C(F)(F)F ZINC000460467618 982261144 /nfs/dbraw/zinc/26/11/44/982261144.db2.gz KUVDHWDIWXGJGQ-UHFFFAOYSA-N -1 3 420.844 3.641 20 0 HHADHM CCCN(C)CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC000438034313 982538147 /nfs/dbraw/zinc/53/81/47/982538147.db2.gz AOYJSYGIMKNNSW-UHFFFAOYSA-N -1 3 413.902 3.560 20 0 HHADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000438078390 982575314 /nfs/dbraw/zinc/57/53/14/982575314.db2.gz XDPZZOLKMXTTQC-UHFFFAOYSA-N -1 3 412.795 3.663 20 0 HHADHM CNC(=O)Cn1ccc2ccc([N-]S(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)cc21 ZINC000460825416 982577058 /nfs/dbraw/zinc/57/70/58/982577058.db2.gz UVSPVACRPFPGCJ-UHFFFAOYSA-N -1 3 413.543 3.730 20 0 HHADHM Cc1cc(C(C)(C)NC(=O)NCc2nc(C(F)(F)F)n[n-]2)ccc1Br ZINC000460835653 982585629 /nfs/dbraw/zinc/58/56/29/982585629.db2.gz GBRHGNPCERIGOH-UHFFFAOYSA-N -1 3 420.233 3.629 20 0 HHADHM CC1(C)CN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)[C@H]1C1CC1 ZINC000460959230 982691446 /nfs/dbraw/zinc/69/14/46/982691446.db2.gz CRPGVQDXLNZAGK-IBGZPJMESA-N -1 3 402.491 3.887 20 0 HHADHM CC1(C)CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)[C@@H]1C1CC1 ZINC000460965641 982695490 /nfs/dbraw/zinc/69/54/90/982695490.db2.gz SXQHJJLRFPLLLX-LJQANCHMSA-N -1 3 402.491 3.887 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@H]3[C@H](C)C3(F)F)ccc2C)cc1 ZINC000460992813 982713072 /nfs/dbraw/zinc/71/30/72/982713072.db2.gz PUFCDQIRFJEMAK-YVEFUNNKSA-N -1 3 410.442 3.644 20 0 HHADHM CC(C)C(C)(C)CNC(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000438381221 982755508 /nfs/dbraw/zinc/75/55/08/982755508.db2.gz AAGWCLJVXUWHLX-UHFFFAOYSA-N -1 3 412.271 3.545 20 0 HHADHM COC(=O)c1cc(Br)ccc1S(=O)(=O)[N-]c1c(C)cccc1Cl ZINC000461117382 982810509 /nfs/dbraw/zinc/81/05/09/982810509.db2.gz UDJSNBIVMVSGFH-UHFFFAOYSA-N -1 3 418.696 3.998 20 0 HHADHM O=C(c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)N1CCC2(C1)CCCCC2 ZINC000461160941 982871217 /nfs/dbraw/zinc/87/12/17/982871217.db2.gz MZDCBUICTGCZHV-UHFFFAOYSA-N -1 3 405.495 3.751 20 0 HHADHM Cc1sc([N-]C(=O)c2nc3nccc(C)n3n2)c(C(=O)c2ccc(C)cc2)c1C ZINC000461191123 982908243 /nfs/dbraw/zinc/90/82/43/982908243.db2.gz XFADSUACPPRSKP-UHFFFAOYSA-N -1 3 405.483 3.903 20 0 HHADHM O=C(CCCC(=O)c1ccc(Br)cc1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000438777323 983064732 /nfs/dbraw/zinc/06/47/32/983064732.db2.gz XSAIPWKMRBDLCM-UHFFFAOYSA-N -1 3 405.174 3.578 20 0 HHADHM O=C(CCCC(=O)c1ccc(Br)cc1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000438777323 983064741 /nfs/dbraw/zinc/06/47/41/983064741.db2.gz XSAIPWKMRBDLCM-UHFFFAOYSA-N -1 3 405.174 3.578 20 0 HHADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2Cl)c(Br)c1 ZINC000438805718 983082502 /nfs/dbraw/zinc/08/25/02/983082502.db2.gz BTVJJLJMVSVBNG-UHFFFAOYSA-N -1 3 422.659 3.829 20 0 HHADHM CCC(=O)NCc1cc(S(=O)(=O)[N-]c2c(CC)cccc2CC)ccc1OC ZINC000461420511 983083395 /nfs/dbraw/zinc/08/33/95/983083395.db2.gz GJRRLMOYJGPXEL-UHFFFAOYSA-N -1 3 404.532 3.647 20 0 HHADHM O=C(N[C@H]1COc2c1ccc(Cl)c2Cl)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000439057927 983231029 /nfs/dbraw/zinc/23/10/29/983231029.db2.gz LUFHOICOQVZSPB-GJZGRUSLSA-N -1 3 421.280 3.554 20 0 HHADHM CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2ccc([O-])c(Cl)c2)CC1 ZINC000439059274 983232264 /nfs/dbraw/zinc/23/22/64/983232264.db2.gz NAMBMLATUOIMRY-AWEZNQCLSA-N -1 3 405.901 3.818 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1ccc2[nH]cnc2c1 ZINC000439060917 983232932 /nfs/dbraw/zinc/23/29/32/983232932.db2.gz QUNWPOQHJJTHLU-HXUWFJFHSA-N -1 3 400.438 3.768 20 0 HHADHM Cc1ccc(CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c(OC(C)(C)C)c1 ZINC000439062233 983233143 /nfs/dbraw/zinc/23/31/43/983233143.db2.gz XDQYAPADXSVQPP-LJQANCHMSA-N -1 3 410.514 3.799 20 0 HHADHM Cc1cc2occ(CC(=O)Nc3cc4c(cc3[O-])n(C)c(=O)n4C)c2cc1C(C)C ZINC000461611548 983238109 /nfs/dbraw/zinc/23/81/09/983238109.db2.gz DDJPTXTWHKYHBW-UHFFFAOYSA-N -1 3 407.470 3.942 20 0 HHADHM Cn1c2cc([O-])c(NC(=O)[C@H]3C[C@H]3c3cccc(Cl)c3Cl)cc2n(C)c1=O ZINC000461612914 983239065 /nfs/dbraw/zinc/23/90/65/983239065.db2.gz YPALSHDJNHSQSS-QWRGUYRKSA-N -1 3 406.269 3.632 20 0 HHADHM Cc1cnc([C@H]([N-]S(=O)(=O)c2ccc(F)c(Br)c2)C2CC2)s1 ZINC000439235607 983323299 /nfs/dbraw/zinc/32/32/99/983323299.db2.gz KGYAAGCOEPYZOL-CYBMUJFWSA-N -1 3 405.314 3.783 20 0 HHADHM CC(C)c1nnc2n1CCN(Cc1nc(=O)c3c(-c4ccco4)csc3[n-]1)[C@H]2C ZINC000439292961 983348834 /nfs/dbraw/zinc/34/88/34/983348834.db2.gz HLSPOYREWQGCLY-LBPRGKRZSA-N -1 3 410.503 3.949 20 0 HHADHM CC(C)(C)Nc1ccccc1NC(=O)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000440084561 983638050 /nfs/dbraw/zinc/63/80/50/983638050.db2.gz XANAHTGUMRMHTQ-UHFFFAOYSA-N -1 3 420.307 3.620 20 0 HHADHM COC(=O)CSCc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)c1 ZINC000440281461 983705781 /nfs/dbraw/zinc/70/57/81/983705781.db2.gz HEVHEXYXONXFAC-UHFFFAOYSA-N -1 3 421.540 3.607 20 0 HHADHM CC(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc4c(c3)CC(C)(C)O4)ccc21 ZINC000440291701 983708523 /nfs/dbraw/zinc/70/85/23/983708523.db2.gz OGAYCYMHQFXQEG-UHFFFAOYSA-N -1 3 400.500 3.500 20 0 HHADHM CC1(C)Cc2cc(S(=O)(=O)[N-]c3ccc(OC[C@H]4CCCO4)cc3)ccc2O1 ZINC000440296854 983710314 /nfs/dbraw/zinc/71/03/14/983710314.db2.gz UTYFHXNUWRAVTE-GOSISDBHSA-N -1 3 403.500 3.759 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N3[C@H](C)C[C@@H]4CCCC[C@H]43)c2)n1 ZINC000440332795 983726090 /nfs/dbraw/zinc/72/60/90/983726090.db2.gz DNYVYRRNCKPUQT-ZRGWGRIASA-N -1 3 408.502 3.530 20 0 HHADHM Cc1ccc(CCN(CC(F)(F)F)C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000440706399 983861426 /nfs/dbraw/zinc/86/14/26/983861426.db2.gz STDAEBDEKDRBCM-UHFFFAOYSA-N -1 3 405.376 3.518 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N(C)C3CCC(C)(C)CC3)c2)n1 ZINC000440927139 983981460 /nfs/dbraw/zinc/98/14/60/983981460.db2.gz SBCXFWNZVNXYBU-UHFFFAOYSA-N -1 3 410.518 3.777 20 0 HHADHM O=C(CSc1nnnn1C1CC1)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000440941069 983991045 /nfs/dbraw/zinc/99/10/45/983991045.db2.gz ISVGWSGBJWRKCS-UHFFFAOYSA-N -1 3 424.511 3.721 20 0 HHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CCc4ccc(F)cc4C3)nc(=O)c2c1C ZINC000441019890 984025698 /nfs/dbraw/zinc/02/56/98/984025698.db2.gz YLVZKHACPOKAHF-LBPRGKRZSA-N -1 3 415.490 3.728 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N(CC(C)C)CC(C)(C)C)c2)n1 ZINC000441659058 984379103 /nfs/dbraw/zinc/37/91/03/984379103.db2.gz XNUUYQSVALIBRS-UHFFFAOYSA-N -1 3 412.534 3.881 20 0 HHADHM Cc1nc(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)sc1Cc1ccc(C)cc1 ZINC000441914492 984536339 /nfs/dbraw/zinc/53/63/39/984536339.db2.gz KVVADKMBPXQYJZ-UHFFFAOYSA-N -1 3 410.425 3.809 20 0 HHADHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H]2CCCC[C@@H]2C(F)(F)F)cc1Cl ZINC000441988250 984581252 /nfs/dbraw/zinc/58/12/52/984581252.db2.gz DRKXMBGOBANKMO-MFKMUULPSA-N -1 3 413.845 3.774 20 0 HHADHM Cn1c2cc([O-])c(NC(=O)[C@@H]3C[C@H]3c3cc(Cl)cc(Cl)c3)cc2n(C)c1=O ZINC000461631588 984652115 /nfs/dbraw/zinc/65/21/15/984652115.db2.gz MIXJTGFTCPXUJO-QWHCGFSZSA-N -1 3 406.269 3.632 20 0 HHADHM CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-n3cnc4ccccc43)cc2)cc1 ZINC000442324411 984825988 /nfs/dbraw/zinc/82/59/88/984825988.db2.gz NHYJMNMJDBJIFY-UHFFFAOYSA-N -1 3 420.494 3.528 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)Nc3ccc(CC)c(C)c3)c2)n1 ZINC000442381091 984887850 /nfs/dbraw/zinc/88/78/50/984887850.db2.gz RLLPKAFEEQQWDE-UHFFFAOYSA-N -1 3 404.470 3.860 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(-c4n[nH]c(C)n4)cc3)c2)n1 ZINC000461876811 984901472 /nfs/dbraw/zinc/90/14/72/984901472.db2.gz KEFUHYWQUJTYJV-UHFFFAOYSA-N -1 3 400.442 3.757 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N3C[C@H](C)[C@@H]3c3ccccc3)c2)n1 ZINC000442565558 985055979 /nfs/dbraw/zinc/05/59/79/985055979.db2.gz ILGXKMVIQPCPJY-YCRPNKLZSA-N -1 3 416.481 3.570 20 0 HHADHM Cn1ccnc1[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)c1ccccc1F ZINC000462112962 985083319 /nfs/dbraw/zinc/08/33/19/985083319.db2.gz QGSXBXLPUUQMDU-AWEZNQCLSA-N -1 3 419.425 3.707 20 0 HHADHM COc1ccc(-c2nc([N-]C(=O)c3cc(-c4ccccc4)ns3)n[nH]2)c(OC)c1 ZINC000462121254 985091299 /nfs/dbraw/zinc/09/12/99/985091299.db2.gz NBOXLBHGGHPUIQ-UHFFFAOYSA-N -1 3 407.455 3.865 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)NCCCCC3CCCC3)c2)n1 ZINC000442699264 985169637 /nfs/dbraw/zinc/16/96/37/985169637.db2.gz KBNRURKYOIQJRE-UHFFFAOYSA-N -1 3 410.518 3.827 20 0 HHADHM O=S(=O)([N-][C@H]1CCCN(c2ccccc2Cl)C1)c1cnccc1C(F)(F)F ZINC000442738290 985195266 /nfs/dbraw/zinc/19/52/66/985195266.db2.gz PYIWFGVRAMDGFL-LBPRGKRZSA-N -1 3 419.856 3.701 20 0 HHADHM COc1ccccc1SC[C@H](C)C[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000442743357 985198791 /nfs/dbraw/zinc/19/87/91/985198791.db2.gz JZSTYDZCGSIFJZ-GFCCVEGCSA-N -1 3 420.478 3.816 20 0 HHADHM C[C@@H](Cc1cccc(Br)c1)[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000442806650 985221111 /nfs/dbraw/zinc/22/11/11/985221111.db2.gz CNJUDCCNPRQOBI-JTQLQIEISA-N -1 3 423.254 3.772 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCCOc2ccc(F)cc2)s1 ZINC000462270662 985260400 /nfs/dbraw/zinc/26/04/00/985260400.db2.gz UXCKMJXYIFJNED-UHFFFAOYSA-N -1 3 408.314 3.706 20 0 HHADHM O=S(=O)([N-]Cc1cccc(OCC(F)(F)F)c1)c1cnccc1C(F)(F)F ZINC000442915155 985278010 /nfs/dbraw/zinc/27/80/10/985278010.db2.gz PAUNZSCUTHAXOG-UHFFFAOYSA-N -1 3 414.327 3.520 20 0 HHADHM C[C@@H](c1ccccc1Cl)N(C)S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000442932101 985286582 /nfs/dbraw/zinc/28/65/82/985286582.db2.gz WYTRBLMDUGLJKY-JTQLQIEISA-N -1 3 412.302 3.555 20 0 HHADHM C[C@@H](c1ccccc1Cl)N(C)S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000442932101 985286592 /nfs/dbraw/zinc/28/65/92/985286592.db2.gz WYTRBLMDUGLJKY-JTQLQIEISA-N -1 3 412.302 3.555 20 0 HHADHM O=S(=O)([N-]CCOc1ncc(C(F)(F)F)cc1Cl)c1ccc(Cl)s1 ZINC000462307118 985293143 /nfs/dbraw/zinc/29/31/43/985293143.db2.gz DEGYGZBWDLKANS-UHFFFAOYSA-N -1 3 421.249 3.826 20 0 HHADHM CN1CCC[C@H](C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)[C@@H]1c1cccs1 ZINC000462310547 985297590 /nfs/dbraw/zinc/29/75/90/985297590.db2.gz CSOOVAWPWXJKFZ-PIGZYNQJSA-N -1 3 404.479 3.527 20 0 HHADHM CCSc1ccc([C@@H](C)NS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC000442955632 985300404 /nfs/dbraw/zinc/30/04/04/985300404.db2.gz YGHGXCQHLUJTBJ-LLVKDONJSA-N -1 3 423.951 3.672 20 0 HHADHM CCSc1ccc([C@@H](C)NS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC000442955632 985300411 /nfs/dbraw/zinc/30/04/11/985300411.db2.gz YGHGXCQHLUJTBJ-LLVKDONJSA-N -1 3 423.951 3.672 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@H]2CCCO[C@@H]2C(C)(C)C)s1 ZINC000462331889 985322335 /nfs/dbraw/zinc/32/23/35/985322335.db2.gz DONFJSLAZVEFCK-AAEUAGOBSA-N -1 3 410.399 3.939 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H]1CCc2c1cccc2F ZINC000443014783 985337566 /nfs/dbraw/zinc/33/75/66/985337566.db2.gz QCCRTKKPUJBJSH-OAHLLOKOSA-N -1 3 405.472 3.793 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]Cc1ccc(Cl)s1 ZINC000443032009 985345767 /nfs/dbraw/zinc/34/57/67/985345767.db2.gz ZHNUYFWCLYDZIY-UHFFFAOYSA-N -1 3 401.918 3.881 20 0 HHADHM O=C1Cc2cc(S(=O)(=O)[N-]c3ccc(Oc4ccccn4)cc3)cc3c2N1CCC3 ZINC000462359626 985347923 /nfs/dbraw/zinc/34/79/23/985347923.db2.gz MZSMNSOMELXCLI-UHFFFAOYSA-N -1 3 421.478 3.510 20 0 HHADHM C[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c2ccccc21 ZINC000443048118 985352209 /nfs/dbraw/zinc/35/22/09/985352209.db2.gz LXWSXTSKFCREDJ-GFCCVEGCSA-N -1 3 403.895 3.613 20 0 HHADHM C[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c2ccccc21 ZINC000443048118 985352219 /nfs/dbraw/zinc/35/22/19/985352219.db2.gz LXWSXTSKFCREDJ-GFCCVEGCSA-N -1 3 403.895 3.613 20 0 HHADHM COCCOc1ccc(S(=O)(=O)[N-]c2cccc3c2CN([C@@H](C)C(C)C)C3)cc1 ZINC000462370130 985356041 /nfs/dbraw/zinc/35/60/41/985356041.db2.gz MSUNTXFWGQHUCM-KRWDZBQOSA-N -1 3 418.559 3.873 20 0 HHADHM CC[C@@H](Cc1ccc(Cl)cc1Cl)[N-]S(=O)(=O)c1csnc1C(=O)OC ZINC000443076831 985364264 /nfs/dbraw/zinc/36/42/64/985364264.db2.gz DENUCMWZMDBEOH-NSHDSACASA-N -1 3 423.343 3.536 20 0 HHADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@@H](C)c1ccccc1Oc1ccccc1 ZINC000443089383 985369540 /nfs/dbraw/zinc/36/95/40/985369540.db2.gz UOHBKHFJJJOWCN-ZDUSSCGKSA-N -1 3 418.496 3.762 20 0 HHADHM Cc1csc([C@@H]([N-]S(=O)(=O)c2ccc(Br)c(F)c2)C2CC2)n1 ZINC000462390194 985371093 /nfs/dbraw/zinc/37/10/93/985371093.db2.gz GBCSMGIGACCJDA-ZDUSSCGKSA-N -1 3 405.314 3.783 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]CCCOC1CCCCC1 ZINC000443097529 985373713 /nfs/dbraw/zinc/37/37/13/985373713.db2.gz VGRYOCOBWBQNED-UHFFFAOYSA-N -1 3 411.545 3.706 20 0 HHADHM C[C@H](CCc1cccn1C)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000462394654 985374663 /nfs/dbraw/zinc/37/46/63/985374663.db2.gz FZLDCLXBBOGKEU-LLVKDONJSA-N -1 3 405.745 3.741 20 0 HHADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000443107403 985378522 /nfs/dbraw/zinc/37/85/22/985378522.db2.gz ZVBJZLGPCTWBCN-CYBMUJFWSA-N -1 3 400.497 3.525 20 0 HHADHM COc1cccc([C@@H]2[C@@H](NC(=O)c3cc(Cl)c([O-])c(OC)c3)CCN2C2CC2)c1 ZINC000443139418 985401108 /nfs/dbraw/zinc/40/11/08/985401108.db2.gz WTNNRSGQTNNGTQ-AZUAARDMSA-N -1 3 416.905 3.771 20 0 HHADHM COc1ccc([C@@H](CN2CCCC2)NC(=O)c2cc(Cl)c([O-])c(OC)c2)cc1 ZINC000443140137 985401807 /nfs/dbraw/zinc/40/18/07/985401807.db2.gz XTWYLAITLQNPMH-GOSISDBHSA-N -1 3 404.894 3.630 20 0 HHADHM Cc1ccc(OCc2ccccc2)c(NC(=O)c2cncc([N-]S(C)(=O)=O)c2)c1 ZINC000443182928 985431631 /nfs/dbraw/zinc/43/16/31/985431631.db2.gz IFPWKOMCLYAODQ-UHFFFAOYSA-N -1 3 411.483 3.593 20 0 HHADHM O=S(=O)([N-]C1(c2ccc(Br)cc2)CC1)c1cc(F)c(F)c(F)c1 ZINC000462541815 985489503 /nfs/dbraw/zinc/48/95/03/985489503.db2.gz IDQGEMUNURNWCJ-UHFFFAOYSA-N -1 3 406.223 3.834 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCCOCCc2ccccc2)s1 ZINC000462541281 985489610 /nfs/dbraw/zinc/48/96/10/985489610.db2.gz AOAVTVUZVFVINU-UHFFFAOYSA-N -1 3 418.378 3.747 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000443333441 985501454 /nfs/dbraw/zinc/50/14/54/985501454.db2.gz QHEHZCIFGFQYEH-AWEZNQCLSA-N -1 3 414.458 3.714 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]CCCc1ccc(Cl)cc1Cl ZINC000443351498 985515347 /nfs/dbraw/zinc/51/53/47/985515347.db2.gz LXYTWWLVYRMMBH-UHFFFAOYSA-N -1 3 420.289 3.830 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](c1ccccc1)c1cccc(F)c1 ZINC000443366907 985528427 /nfs/dbraw/zinc/52/84/27/985528427.db2.gz VCWUHZVDEYTIES-HXUWFJFHSA-N -1 3 417.433 3.819 20 0 HHADHM C[C@@H](C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)Oc1ccc(Br)cc1 ZINC000462593721 985538988 /nfs/dbraw/zinc/53/89/88/985538988.db2.gz MEZPVZJLZSSYJO-VIFPVBQESA-N -1 3 424.238 3.612 20 0 HHADHM CC1(C)CN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC(C)(C)O1 ZINC000443380291 985540206 /nfs/dbraw/zinc/54/02/06/985540206.db2.gz HXEKCAPEVUDVPZ-FQEVSTJZSA-N -1 3 410.514 3.669 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@H](C)c1cc2ccccc2o1 ZINC000443388627 985545359 /nfs/dbraw/zinc/54/53/59/985545359.db2.gz PWRHELTVAMTHMI-OAHLLOKOSA-N -1 3 402.454 3.697 20 0 HHADHM CC[C@H]([N-]S(=O)(=O)c1cc(Br)c(F)cc1F)c1c(C)nn(C)c1C ZINC000462612939 985556155 /nfs/dbraw/zinc/55/61/55/985556155.db2.gz HHMPXOOKGVVKPF-ZDUSSCGKSA-N -1 3 422.295 3.507 20 0 HHADHM COC(=O)c1cc(F)cc([N-]S(=O)(=O)c2cccc(-c3nc(C)cs3)c2)c1F ZINC000443403899 985558069 /nfs/dbraw/zinc/55/80/69/985558069.db2.gz CPIALSMOASJUOS-UHFFFAOYSA-N -1 3 424.450 3.984 20 0 HHADHM O=C(NCc1ncccc1[O-])Nc1ncc(Cc2cccc(Br)c2)s1 ZINC000467942623 985577132 /nfs/dbraw/zinc/57/71/32/985577132.db2.gz QZZXKRNXLXNTBX-UHFFFAOYSA-N -1 3 419.304 3.919 20 0 HHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H]2O[C@@H](C)C[C@H]2C)cc1 ZINC000443420352 985577241 /nfs/dbraw/zinc/57/72/41/985577241.db2.gz YNDFAAOUSMZBQM-GQIGUUNPSA-N -1 3 402.516 3.856 20 0 HHADHM COc1cccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3cccc4cc(C)cnc43)n2)c1 ZINC000462677191 985615754 /nfs/dbraw/zinc/61/57/54/985615754.db2.gz LHTRLGWEXXKCSB-CQSZACIVSA-N -1 3 424.482 3.641 20 0 HHADHM CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)[N-]c3cccc(CSCC)c3)ccc2O1 ZINC000443456157 985625350 /nfs/dbraw/zinc/62/53/50/985625350.db2.gz UWKARRKMCCNZPY-LJQANCHMSA-N -1 3 421.540 3.607 20 0 HHADHM C[C@H](C[N-]S(=O)(=O)c1ccc(Br)s1)Oc1ccccc1Cl ZINC000462699159 985641003 /nfs/dbraw/zinc/64/10/03/985641003.db2.gz DLJAYUHXSOLCOA-SECBINFHSA-N -1 3 410.742 3.910 20 0 HHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2C[C@H](C)N(c3ccccc3)C2=O)c1Cl ZINC000462699757 985641780 /nfs/dbraw/zinc/64/17/80/985641780.db2.gz HHPXUUMRWCMXHB-WFASDCNBSA-N -1 3 413.326 3.774 20 0 HHADHM O=S(=O)([N-]CCC[C@H]1CCCC[C@H]1O)c1cc(Br)ccc1Cl ZINC000443488587 985663335 /nfs/dbraw/zinc/66/33/35/985663335.db2.gz MGHQDPNROGUIJO-BXUZGUMPSA-N -1 3 410.761 3.712 20 0 HHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@H](c1ccccc1)C(C)(C)CO ZINC000443492278 985667247 /nfs/dbraw/zinc/66/72/47/985667247.db2.gz SVWULDPZCNKEPC-GOSISDBHSA-N -1 3 405.491 3.961 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@H](C)Oc2ccccc2C)s1 ZINC000462723466 985670946 /nfs/dbraw/zinc/67/09/46/985670946.db2.gz ZYTLJIHPRGPOCZ-LLVKDONJSA-N -1 3 404.351 3.873 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](c1ccc(F)cc1F)C(C)(C)C ZINC000443501312 985673736 /nfs/dbraw/zinc/67/37/36/985673736.db2.gz OQPSSYVZWAUGFJ-QGZVFWFLSA-N -1 3 415.433 3.956 20 0 HHADHM O=S(=O)(Cc1cc(Cl)ccc1F)NCc1ccc([O-])c(Br)c1 ZINC000443505710 985677633 /nfs/dbraw/zinc/67/76/33/985677633.db2.gz BTPRADGGSDIQGZ-UHFFFAOYSA-N -1 3 408.676 3.567 20 0 HHADHM COCCCn1c(=O)[n-]nc1SCc1cc(C)nc(-c2ccc(Cl)cc2)n1 ZINC000443527023 985697940 /nfs/dbraw/zinc/69/79/40/985697940.db2.gz GAVAFTULPDXMFN-UHFFFAOYSA-N -1 3 405.911 3.731 20 0 HHADHM Cc1cc2nc(-c3ccc(CNC(=O)Cc4c(C)nc(C)[n-]c4=O)cc3)[nH]c2cc1C ZINC000443665048 985869122 /nfs/dbraw/zinc/86/91/22/985869122.db2.gz OOVJAVNCUDJJKY-UHFFFAOYSA-N -1 3 415.497 3.818 20 0 HHADHM CS[C@H](C)C[N-]S(=O)(=O)c1c(Br)cc(C)cc1Br ZINC000443740678 985955103 /nfs/dbraw/zinc/95/51/03/985955103.db2.gz BOOZLABUKZCRLG-MRVPVSSYSA-N -1 3 417.188 3.550 20 0 HHADHM CCc1cc(=O)[n-]c(CN2CCC[C@H]2c2ccccc2I)n1 ZINC000468276580 985976577 /nfs/dbraw/zinc/97/65/77/985976577.db2.gz DKOPQXYGNAAKFN-HNNXBMFYSA-N -1 3 409.271 3.686 20 0 HHADHM COCCCOc1cccc(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)c1 ZINC000443776114 985983523 /nfs/dbraw/zinc/98/35/23/985983523.db2.gz DYLMRQFAFPYHLN-UHFFFAOYSA-N -1 3 410.344 3.949 20 0 HHADHM CN(C)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)c(F)c1 ZINC000443800007 985999679 /nfs/dbraw/zinc/99/96/79/985999679.db2.gz RMFIROWXJMPYQD-UHFFFAOYSA-N -1 3 419.400 3.534 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@H]1c2ccccc2CCC[C@H]1C ZINC000463043467 986002626 /nfs/dbraw/zinc/00/26/26/986002626.db2.gz KCTFHTRSXLPPNZ-MWTRTKDXSA-N -1 3 416.525 3.903 20 0 HHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H](c1ccc(F)cc1F)C(C)C ZINC000468355127 986051550 /nfs/dbraw/zinc/05/15/50/986051550.db2.gz CJAOTXZQSYAZRO-HXUWFJFHSA-N -1 3 412.440 3.887 20 0 HHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NCc1ccc(-c2ccco2)cc1F ZINC000468398905 986097638 /nfs/dbraw/zinc/09/76/38/986097638.db2.gz ZFLYREQOGHFFLM-UHFFFAOYSA-N -1 3 418.428 3.811 20 0 HHADHM O=C([N-]c1c(F)cc(F)cc1F)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O ZINC000443921000 986125689 /nfs/dbraw/zinc/12/56/89/986125689.db2.gz MNXQZWANLZEQPE-UHFFFAOYSA-N -1 3 417.364 3.733 20 0 HHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nc(-c2ncsc2Cl)no1 ZINC000463180311 986153061 /nfs/dbraw/zinc/15/30/61/986153061.db2.gz KSSLKQSIDJLRFI-SSDOTTSWSA-N -1 3 405.288 3.539 20 0 HHADHM Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(F)c2)c1 ZINC000444051911 986250738 /nfs/dbraw/zinc/25/07/38/986250738.db2.gz PDIMZIIDRDIDGA-UHFFFAOYSA-N -1 3 410.268 3.883 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@@]2(C)CCc3ccccc3C2)cc1OC ZINC000463284305 986251715 /nfs/dbraw/zinc/25/17/15/986251715.db2.gz QHQQGDYIFONXGJ-NRFANRHFSA-N -1 3 402.516 3.591 20 0 HHADHM O=C([N-]c1c2ccccc2oc1C(=O)N1CCOCC1)c1ccoc1C(F)(F)F ZINC000463296981 986264876 /nfs/dbraw/zinc/26/48/76/986264876.db2.gz HZYYIOQICVNPEX-UHFFFAOYSA-N -1 3 408.332 3.769 20 0 HHADHM CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000468580582 986287775 /nfs/dbraw/zinc/28/77/75/986287775.db2.gz VHIIRUNCPNGLRY-UHFFFAOYSA-N -1 3 408.495 3.570 20 0 HHADHM C[C@@H](C(=O)Nc1ccccc1[N-]S(C)(=O)=O)c1ccc(Br)s1 ZINC000463330783 986298387 /nfs/dbraw/zinc/29/83/87/986298387.db2.gz YDLZRUOIRIDDFX-SECBINFHSA-N -1 3 403.323 3.624 20 0 HHADHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(-n2cccc2)cc1)c1nc(-c2cccnc2)no1 ZINC000463345498 986312675 /nfs/dbraw/zinc/31/26/75/986312675.db2.gz QGLXQZNYOBCVEM-LJQANCHMSA-N -1 3 423.498 3.598 20 0 HHADHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(-n2cccc2)cc1)c1nc(-c2cccnc2)no1 ZINC000463345497 986313075 /nfs/dbraw/zinc/31/30/75/986313075.db2.gz QGLXQZNYOBCVEM-IBGZPJMESA-N -1 3 423.498 3.598 20 0 HHADHM COc1cc(NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)ccc1OC(C)C ZINC000468626153 986342620 /nfs/dbraw/zinc/34/26/20/986342620.db2.gz ZZTBSDRBVXQSJA-UHFFFAOYSA-N -1 3 422.485 3.507 20 0 HHADHM C[C@@H]1CN(Cc2cccc([N-]S(=O)(=O)c3ccc4c(c3)CCC4)c2)C[C@H](C)O1 ZINC000444214826 986398194 /nfs/dbraw/zinc/39/81/94/986398194.db2.gz SFMXDSNTZREEAY-CALCHBBNSA-N -1 3 400.544 3.585 20 0 HHADHM C[C@H]1C(=O)CC[C@H](C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)C1(C)C ZINC000444234938 986424055 /nfs/dbraw/zinc/42/40/55/986424055.db2.gz WRAUVLUKGQLBHO-XJKSGUPXSA-N -1 3 420.937 3.864 20 0 HHADHM O=c1nc(CN2CC[C@@](CO)(c3ccccc3)C2)[n-]c2scc(-c3ccco3)c21 ZINC000463449967 986430128 /nfs/dbraw/zinc/43/01/28/986430128.db2.gz MFLYUCNUVYYAJN-JOCHJYFZSA-N -1 3 407.495 3.793 20 0 HHADHM COC[C@H](C)[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000463465266 986443925 /nfs/dbraw/zinc/44/39/25/986443925.db2.gz VZCAJSRTXKLRSC-DLBZAZTESA-N -1 3 404.532 3.961 20 0 HHADHM O=C(c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)N1CCC[C@@H]1[C@@H]1CCCCC1=O ZINC000444302797 986487354 /nfs/dbraw/zinc/48/73/54/986487354.db2.gz KNQNAUATYGYZOT-SWLSCSKDSA-N -1 3 422.403 3.791 20 0 HHADHM O=C(c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)N1CCC[C@H]1[C@@H]1CCCCC1=O ZINC000444302798 986487431 /nfs/dbraw/zinc/48/74/31/986487431.db2.gz KNQNAUATYGYZOT-WFASDCNBSA-N -1 3 422.403 3.791 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@H]3CC[C@@H](C)C3)c2)cc1 ZINC000444312635 986494975 /nfs/dbraw/zinc/49/49/75/986494975.db2.gz CJKRFUCWFWTXMP-PBHICJAKSA-N -1 3 402.516 3.723 20 0 HHADHM Cc1ccc(NC(=O)[C@@H]2CCOC[C@H]2C)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000444339952 986518888 /nfs/dbraw/zinc/51/88/88/986518888.db2.gz HFJOETRUYGLEPO-GDBMZVCRSA-N -1 3 406.479 3.546 20 0 HHADHM O=C(c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)N1CCCCC[C@H]1c1ncon1 ZINC000444369849 986546587 /nfs/dbraw/zinc/54/65/87/986546587.db2.gz VFNRJSTVHIZCSH-ZDUSSCGKSA-N -1 3 422.363 3.567 20 0 HHADHM C[S@](=O)Cc1ccccc1NC(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC000444370265 986547291 /nfs/dbraw/zinc/54/72/91/986547291.db2.gz XNIBOWMDBADUNM-LJAQVGFWSA-N -1 3 424.400 3.558 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1ccc(-n2ncc3ccccc32)cc1Cl ZINC000444371599 986548701 /nfs/dbraw/zinc/54/87/01/986548701.db2.gz MXHOYUKMEBCYQX-UHFFFAOYSA-N -1 3 420.782 3.746 20 0 HHADHM CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000468867111 986576125 /nfs/dbraw/zinc/57/61/25/986576125.db2.gz GXOXTQUXJBKXAW-OAHLLOKOSA-N -1 3 422.522 3.711 20 0 HHADHM COC(=O)[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccc(Br)cc1 ZINC000468883667 986590490 /nfs/dbraw/zinc/59/04/90/986590490.db2.gz IZGSQJFTFJUETM-SFHVURJKSA-N -1 3 424.266 3.647 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)NCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000468910038 986617448 /nfs/dbraw/zinc/61/74/48/986617448.db2.gz KLMHCSKKEKXWEG-UHFFFAOYSA-N -1 3 403.841 3.916 20 0 HHADHM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000468917874 986625389 /nfs/dbraw/zinc/62/53/89/986625389.db2.gz IKJWFNOKLQHKLM-HNNXBMFYSA-N -1 3 415.964 3.901 20 0 HHADHM O=C(Nc1cccc(C[N-]S(=O)(=O)c2c(F)cccc2Cl)c1)c1ccccn1 ZINC000463678192 986661818 /nfs/dbraw/zinc/66/18/18/986661818.db2.gz IXSUAYZRLAUOSA-UHFFFAOYSA-N -1 3 419.865 3.605 20 0 HHADHM C[C@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000468970260 986674280 /nfs/dbraw/zinc/67/42/80/986674280.db2.gz NWZFNFDHASWWEL-LJQANCHMSA-N 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CCOC(=O)c1nc(C2CCN(C(=O)c3ccc(-c4ccc(CC)cc4)o3)CC2)n[n-]1 ZINC000444663153 986845300 /nfs/dbraw/zinc/84/53/00/986845300.db2.gz XSPBHJLNVIUTJG-UHFFFAOYSA-N -1 3 422.485 3.824 20 0 HHADHM CCOC(=O)c1nnc(C2CCN(C(=O)c3ccc(-c4ccc(CC)cc4)o3)CC2)[n-]1 ZINC000444663153 986845314 /nfs/dbraw/zinc/84/53/14/986845314.db2.gz XSPBHJLNVIUTJG-UHFFFAOYSA-N -1 3 422.485 3.824 20 0 HHADHM CCOC(=O)c1nc(C2CCN(C(=O)[C@@H]3C[C@@H]3c3cccc4ccccc43)CC2)n[n-]1 ZINC000444755910 986918050 /nfs/dbraw/zinc/91/80/50/986918050.db2.gz GQUNMUHKRJTRTB-WOJBJXKFSA-N -1 3 418.497 3.644 20 0 HHADHM CCOC(=O)c1nnc(C2CCN(C(=O)[C@@H]3C[C@@H]3c3cccc4ccccc43)CC2)[n-]1 ZINC000444755910 986918073 /nfs/dbraw/zinc/91/80/73/986918073.db2.gz GQUNMUHKRJTRTB-WOJBJXKFSA-N -1 3 418.497 3.644 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccc(C)c(Cl)c2F)cc1OC ZINC000469197323 986921331 /nfs/dbraw/zinc/92/13/31/986921331.db2.gz SBFOWNJPKKHPCF-UHFFFAOYSA-N -1 3 400.859 3.810 20 0 HHADHM COc1cccc(Cc2nnc(NC(=O)CCCc3ccc([O-])c(F)c3)s2)c1 ZINC000469198901 986922990 /nfs/dbraw/zinc/92/29/90/986922990.db2.gz IRICYPIOPQUKII-UHFFFAOYSA-N -1 3 401.463 3.944 20 0 HHADHM CCCNc1ccc(C(F)(F)F)cc1NC(=O)c1cc(S(=O)(=O)[N-]C)oc1C ZINC000469283043 987001075 /nfs/dbraw/zinc/00/10/75/987001075.db2.gz BXLCSJHLZWGFBD-UHFFFAOYSA-N -1 3 419.425 3.589 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccc(Cl)c(N)c2Cl)cc1OC ZINC000469574553 987241804 /nfs/dbraw/zinc/24/18/04/987241804.db2.gz MELJJDOJKKMBCZ-UHFFFAOYSA-N -1 3 418.302 3.598 20 0 HHADHM COc1cc(-c2nc(CC(=O)Nc3c(Cl)cccc3Cl)no2)cc(OC)c1[O-] ZINC000445374596 987431089 /nfs/dbraw/zinc/43/10/89/987431089.db2.gz XCMSDZQXZWFNLQ-UHFFFAOYSA-N -1 3 424.240 3.947 20 0 HHADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2nnc(-c3cccs3)n2C[C@H]2CCCO2)n1 ZINC000469804136 987445020 /nfs/dbraw/zinc/44/50/20/987445020.db2.gz KCBHRIVDPVMFBU-CHWSQXEVSA-N -1 3 403.533 3.843 20 0 HHADHM CSc1cccnc1-c1noc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000445621750 987693345 /nfs/dbraw/zinc/69/33/45/987693345.db2.gz SUVNRSYFXWSFPI-SNVBAGLBSA-N -1 3 410.908 3.546 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)C[C@H](C)COC)ccc2C)cc1 ZINC000445643157 987717399 /nfs/dbraw/zinc/71/73/99/987717399.db2.gz SWWIYPCDBFPKIA-HNNXBMFYSA-N -1 3 420.531 3.806 20 0 HHADHM COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(C)C ZINC000445702065 987768043 /nfs/dbraw/zinc/76/80/43/987768043.db2.gz KXIGESOJYQPWNS-NSHDSACASA-N -1 3 421.359 3.747 20 0 HHADHM CCO[C@@H](c1noc([C@H](C)[N-]S(=O)(=O)c2ccc(C)cc2)n1)c1ccccc1 ZINC000445785581 987847164 /nfs/dbraw/zinc/84/71/64/987847164.db2.gz XICMLFXYDJTCIO-MAUKXSAKSA-N -1 3 401.488 3.543 20 0 HHADHM Cc1ccc(C(=O)NCCc2nc(-c3ccc(C)c(N4CCCC4)c3)no2)c([O-])c1 ZINC000445816646 987878757 /nfs/dbraw/zinc/87/87/57/987878757.db2.gz BKZVEOVDXYSSOK-UHFFFAOYSA-N -1 3 406.486 3.632 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N(C)Cc1nccs1 ZINC000470254622 988198721 /nfs/dbraw/zinc/19/87/21/988198721.db2.gz KYOKJKHEWQYJAS-UHFFFAOYSA-N -1 3 419.503 3.664 20 0 HHADHM O=C([N-]c1nnc(-c2cc3ccccc3o2)s1)c1cn(Cc2cccc(F)c2)nn1 ZINC000470384923 988344752 /nfs/dbraw/zinc/34/47/52/988344752.db2.gz ZDSHJGINNZJALZ-UHFFFAOYSA-N -1 3 420.429 3.983 20 0 HHADHM CC(C)Oc1ccc2ccccc2c1CNC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000464413458 988583407 /nfs/dbraw/zinc/58/34/07/988583407.db2.gz DCHLVCPTEWAENJ-UHFFFAOYSA-N -1 3 403.438 3.832 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)Nc1cccc(CC(F)(F)F)c1 ZINC000464418824 988590212 /nfs/dbraw/zinc/59/02/12/988590212.db2.gz LSEVFBGBQIODPL-UHFFFAOYSA-N -1 3 416.403 3.816 20 0 HHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CCCc1nnc2n1CCCCC2 ZINC000470605482 988625202 /nfs/dbraw/zinc/62/52/02/988625202.db2.gz IIONTICRUSKEQT-UHFFFAOYSA-N -1 3 422.938 3.624 20 0 HHADHM C[C@H]1CN(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)[C@H]1c1ccccc1 ZINC000464520653 988696564 /nfs/dbraw/zinc/69/65/64/988696564.db2.gz NONCBCUBRMPGCS-VBKZILBWSA-N -1 3 413.474 3.788 20 0 HHADHM CCN(CC(C)(C)C)C(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000464628006 988802718 /nfs/dbraw/zinc/80/27/18/988802718.db2.gz HSWZDQBCMBZULD-UHFFFAOYSA-N -1 3 412.271 3.641 20 0 HHADHM O=C([N-]c1nc2cc(Cl)ccn2n1)c1csc(-c2ccc3c(c2)OCCO3)n1 ZINC000464651776 988838950 /nfs/dbraw/zinc/83/89/50/988838950.db2.gz WPAZNIRSBDMJRQ-UHFFFAOYSA-N -1 3 413.846 3.530 20 0 HHADHM Cc1nn(Cc2ccccc2)c2sc(C(=O)[N-]c3nc4cc(Cl)ccn4n3)cc12 ZINC000464653958 988844298 /nfs/dbraw/zinc/84/42/98/988844298.db2.gz ZAEOFFMHNQJAPE-UHFFFAOYSA-N -1 3 422.901 4.403 20 0 HHADHM CCCOc1cc(F)ccc1NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000470881941 988952131 /nfs/dbraw/zinc/95/21/31/988952131.db2.gz ZBSYDWNPFJRZBC-UHFFFAOYSA-N -1 3 410.449 3.640 20 0 HHADHM CC[C@@H]1CN([C@H]2CC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)CC[C@@H]1c1ccccc1 ZINC000470897639 988971151 /nfs/dbraw/zinc/97/11/51/988971151.db2.gz OOFUVBWUSMIHGA-CZAAIQMYSA-N -1 3 406.482 3.532 20 0 HHADHM O=c1[n-]c(CN2CCN(c3ccc4ccccc4n3)CC2)nc2c3ccccc3oc21 ZINC000471208750 989350969 /nfs/dbraw/zinc/35/09/69/989350969.db2.gz WEMXQFLXNOEBBC-UHFFFAOYSA-N -1 3 411.465 3.952 20 0 HHADHM Cc1nc(C)c(CC(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)c(=O)[n-]1 ZINC000465048079 989374275 /nfs/dbraw/zinc/37/42/75/989374275.db2.gz NPUIYFDWUDYWBB-UHFFFAOYSA-N -1 3 406.216 3.566 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3C[C@@H]4CCC[C@@H]4C3)ccc2C)cc1 ZINC000465082025 989402358 /nfs/dbraw/zinc/40/23/58/989402358.db2.gz BUGPBVPXEKZKMY-HDICACEKSA-N -1 3 414.527 3.677 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccnc3C)ccc2C)cc1 ZINC000465300446 989660368 /nfs/dbraw/zinc/66/03/68/989660368.db2.gz KLCNEVNBEJJNBR-UHFFFAOYSA-N -1 3 411.483 3.760 20 0 HHADHM COc1ccc([C@@H](CNC(=O)NCc2ncccc2[O-])c2c[nH]c3ccccc32)cc1 ZINC000471488034 989685036 /nfs/dbraw/zinc/68/50/36/989685036.db2.gz KJNLBDATCWBHNI-LJQANCHMSA-N -1 3 416.481 3.908 20 0 HHADHM CCC(O)(CC)CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000471667849 989872524 /nfs/dbraw/zinc/87/25/24/989872524.db2.gz HTZWPKXBCUSQST-UHFFFAOYSA-N -1 3 422.522 3.606 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)CCSCc2ccccc2)cc1OC ZINC000471797336 989982352 /nfs/dbraw/zinc/98/23/52/989982352.db2.gz GNMDNCDNJODWTB-UHFFFAOYSA-N -1 3 408.545 3.719 20 0 HHADHM C[C@H]([N-]S(=O)(=O)c1ccccc1OC(F)(F)F)c1noc(-c2ccccc2)n1 ZINC000471869861 990041530 /nfs/dbraw/zinc/04/15/30/990041530.db2.gz ILTOIDLLIZAGTM-NSHDSACASA-N -1 3 413.377 3.675 20 0 HHADHM CCc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccc(OC)c(C)c3)n2)cc1 ZINC000471872008 990043903 /nfs/dbraw/zinc/04/39/03/990043903.db2.gz RUQIGYPFAUKPEO-AWEZNQCLSA-N -1 3 401.488 3.656 20 0 HHADHM CCc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccc4ncccc4c3)n2)cc1 ZINC000471873055 990044446 /nfs/dbraw/zinc/04/44/46/990044446.db2.gz BGQLFGWOKFTKFR-AWEZNQCLSA-N -1 3 408.483 3.887 20 0 HHADHM Cc1cc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccc4c(c3)C[C@@H](C)O4)n2)ccc1F ZINC000471875181 990046968 /nfs/dbraw/zinc/04/69/68/990046968.db2.gz WHAZJZIHWRUBJG-OLZOCXBDSA-N -1 3 417.462 3.547 20 0 HHADHM CCc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3ccc(OC)cc3C)n2)cc1 ZINC000471877427 990049817 /nfs/dbraw/zinc/04/98/17/990049817.db2.gz RDKVFHUTJYNIOR-CQSZACIVSA-N -1 3 401.488 3.656 20 0 HHADHM CCc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccccc3OC(F)F)n2)cc1 ZINC000471879670 990052495 /nfs/dbraw/zinc/05/24/95/990052495.db2.gz FSRCMTWCBCUSDZ-LBPRGKRZSA-N -1 3 423.441 3.940 20 0 HHADHM COC(=O)c1cc(F)c(C)c(S(=O)(=O)[N-]c2ccc(Br)cc2F)c1 ZINC000471923120 990089792 /nfs/dbraw/zinc/08/97/92/990089792.db2.gz OHEKIVXRQVQDKF-UHFFFAOYSA-N -1 3 420.231 3.623 20 0 HHADHM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1ccc(O[C@H]2CCOC2)cc1 ZINC000471930806 990096433 /nfs/dbraw/zinc/09/64/33/990096433.db2.gz JBSUYEKJQMDMET-INIZCTEOSA-N -1 3 412.305 3.726 20 0 HHADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(Br)c(F)cc2F)c(C)c1 ZINC000466484139 991774876 /nfs/dbraw/zinc/77/48/76/991774876.db2.gz ZVWXPHWQZPTPCG-UHFFFAOYSA-N -1 3 420.231 3.623 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)N3[C@@H](C)CC[C@@H]3C)c2)cc1 ZINC000466575508 991890580 /nfs/dbraw/zinc/89/05/80/991890580.db2.gz FXVMTPKKIGDSGA-HOTGVXAUSA-N -1 3 417.531 3.578 20 0 HHADHM CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)ccc1C)c1nc(C(F)(F)F)cs1 ZINC000466881547 992202492 /nfs/dbraw/zinc/20/24/92/992202492.db2.gz HINPEJFYHWPEGS-LLVKDONJSA-N -1 3 422.450 3.687 20 0 HHADHM CC(C)(C)OC(=O)CCC[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000466929132 992241692 /nfs/dbraw/zinc/24/16/92/992241692.db2.gz NWSJAUYKYLFHNH-UHFFFAOYSA-N -1 3 401.834 3.759 20 0 HHADHM O=S(=O)([N-]c1ccc(OC(F)F)cc1)c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC000466961242 992271450 /nfs/dbraw/zinc/27/14/50/992271450.db2.gz HWEBHWXJSQYKEB-GFCCVEGCSA-N -1 3 417.405 3.643 20 0 HHADHM CCCOc1ccc([N-]S(=O)(=O)c2ccc(OC[C@H]3CCOC3)c(F)c2)cc1 ZINC000466965127 992275545 /nfs/dbraw/zinc/27/55/45/992275545.db2.gz SSMWYCTWDIZYLU-HNNXBMFYSA-N -1 3 409.479 3.831 20 0 HHADHM Cc1cc(N(C)C)cc(C)c1[N-]S(=O)(=O)c1ccc(OC[C@H]2CCOC2)c(F)c1 ZINC000467026502 992334395 /nfs/dbraw/zinc/33/43/95/992334395.db2.gz ZQKXEGTXDUCJCH-INIZCTEOSA-N -1 3 422.522 3.725 20 0 HHADHM O=S(=O)([N-]c1cncc(Cl)c1Cl)c1ccc(OC[C@H]2CCOC2)c(F)c1 ZINC000467037379 992346056 /nfs/dbraw/zinc/34/60/56/992346056.db2.gz ZYESIGZOPQYZSD-JTQLQIEISA-N -1 3 421.277 3.744 20 0 HHADHM O=S(=O)([N-][C@@H]1CCN(c2ncccc2Cl)C1)c1cc(Cl)ccc1Cl ZINC000467121298 992434976 /nfs/dbraw/zinc/43/49/76/992434976.db2.gz WLKSFHWPXIROJB-LLVKDONJSA-N -1 3 406.722 3.599 20 0 HHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CCCC[C@H](CCOC)C3)nc(=O)c2c1C ZINC000467271456 992592361 /nfs/dbraw/zinc/59/23/61/992592361.db2.gz OBCSNFHDHONRGH-LSDHHAIUSA-N -1 3 421.563 3.669 20 0 HHADHM CN(CCC1CCOCC1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000467273753 992595031 /nfs/dbraw/zinc/59/50/31/992595031.db2.gz BQVSULLMSYXUPQ-UHFFFAOYSA-N -1 3 420.506 3.515 20 0 HHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc3nc(C4CCCCC4)[nH]c3c2)cn1C ZINC000467422461 992723425 /nfs/dbraw/zinc/72/34/25/992723425.db2.gz CDIMBXMEVRTXRP-UHFFFAOYSA-N -1 3 416.503 3.537 20 0 HHADHM Cc1cc(N2CCCC[C@@H]2C)ccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000467425732 992725562 /nfs/dbraw/zinc/72/55/62/992725562.db2.gz RMNVOUZROMEWGC-INIZCTEOSA-N -1 3 402.516 3.946 20 0 HHADHM CCCCCOc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CN(C)C)cc2)cc1 ZINC000467437151 992734464 /nfs/dbraw/zinc/73/44/64/992734464.db2.gz UOLTXJXVBXRHKC-UHFFFAOYSA-N -1 3 419.547 3.557 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3[C@H](C)CC[C@@H]3C)ccc2C)cc1 ZINC000467501795 992785530 /nfs/dbraw/zinc/78/55/30/992785530.db2.gz KVIXZTBKMIFTDV-IYBDPMFKSA-N -1 3 402.516 3.817 20 0 HHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CCc3cccc(OC(C)(C)C)n3)cc2)n1 ZINC000467809100 993042816 /nfs/dbraw/zinc/04/28/16/993042816.db2.gz LVMNYIOHTCOVET-UHFFFAOYSA-N -1 3 406.486 3.889 20 0 HHADHM Cc1nc(C)c(CC(=O)N2CCC(c3cccc(Br)c3)CC2)c(=O)[n-]1 ZINC000467837510 993068893 /nfs/dbraw/zinc/06/88/93/993068893.db2.gz CKKYWLGOTZGIFG-UHFFFAOYSA-N -1 3 404.308 3.510 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CC[C@@H](c2ccccc2)C[C@@H]1C ZINC000467862294 993093203 /nfs/dbraw/zinc/09/32/03/993093203.db2.gz KGGUYXJLDPXNEF-LAUBAEHRSA-N -1 3 416.525 3.868 20 0 HHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000472104783 993155383 /nfs/dbraw/zinc/15/53/83/993155383.db2.gz VQBWSSXRRMJRKD-OAHLLOKOSA-N -1 3 422.865 3.618 20 0 HHADHM O=C(NCc1ncccc1[O-])N[C@@H](Cc1cccc(Br)c1)CC1CC1 ZINC000472188775 993228664 /nfs/dbraw/zinc/22/86/64/993228664.db2.gz MPAJAIMZWCRITE-MRXNPFEDSA-N -1 3 404.308 3.760 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H](OC)C(C)C)ccc2C)cc1 ZINC000472243370 993271236 /nfs/dbraw/zinc/27/12/36/993271236.db2.gz RSUJYUMOPZKYDJ-FQEVSTJZSA-N -1 3 420.531 3.804 20 0 HHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCN(C(=O)C3CCCCC3)C2)c1Cl ZINC000472313461 993325501 /nfs/dbraw/zinc/32/55/01/993325501.db2.gz KPUPYUXPTMOWTE-CQSZACIVSA-N -1 3 419.374 3.761 20 0 HHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000472319127 993330337 /nfs/dbraw/zinc/33/03/37/993330337.db2.gz ZTCTZHMLKOZQIY-MRXNPFEDSA-N -1 3 424.950 3.854 20 0 HHADHM CCOC(=O)c1sc([C@H](C)[N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)nc1C ZINC000472337158 993345198 /nfs/dbraw/zinc/34/51/98/993345198.db2.gz OVVPVTVOUKMOEE-JTQLQIEISA-N -1 3 420.915 3.769 20 0 HHADHM O=C(Cc1csc2ccc(Br)cc12)NCc1nc(C(F)(F)F)n[n-]1 ZINC000472582521 993547157 /nfs/dbraw/zinc/54/71/57/993547157.db2.gz XEIBXUSKPHEYBH-UHFFFAOYSA-N -1 3 419.226 3.660 20 0 HHADHM CC(C)OC(=O)CC[C@@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000480744344 993611690 /nfs/dbraw/zinc/61/16/90/993611690.db2.gz KOSIXFJQUMIOKM-SNVBAGLBSA-N -1 3 412.733 3.501 20 0 HHADHM CCc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)Cc3ccc(C)cc3F)n2)cc1 ZINC000480798091 993668023 /nfs/dbraw/zinc/66/80/23/993668023.db2.gz SWNDMTYMRXECSQ-AWEZNQCLSA-N -1 3 403.479 3.927 20 0 HHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCCc3ccc(F)cc32)cc1Cl ZINC000480980115 993820810 /nfs/dbraw/zinc/82/08/10/993820810.db2.gz MCIBPTGFGYQVBA-MRXNPFEDSA-N -1 3 414.861 3.933 20 0 HHADHM CN(C)c1cc([N-]S(=O)(=O)c2ccc(OCC(F)F)c3ccccc32)ccn1 ZINC000481031999 993877468 /nfs/dbraw/zinc/87/74/68/993877468.db2.gz DLOVKLVGCYQJJM-UHFFFAOYSA-N -1 3 407.442 3.746 20 0 HHADHM O=C(NCc1ncccc1[O-])C(=O)Nc1ccc(Sc2ccccc2Cl)cc1 ZINC000473049178 993969196 /nfs/dbraw/zinc/96/91/96/993969196.db2.gz MYVWJJIFAHMUOH-UHFFFAOYSA-N -1 3 413.886 3.847 20 0 HHADHM CCCc1ccc(-c2nc(NC(=O)c3[nH]c(=O)[n-]c(=O)c3OC)sc2C)cc1 ZINC000473351638 994214073 /nfs/dbraw/zinc/21/40/73/994214073.db2.gz RFMRONVCRKSILD-UHFFFAOYSA-N -1 3 400.460 3.533 20 0 HHADHM COc1ccc(-c2cc3[n-]c(CN(C)C[C@@H]4CCCC[C@@H]4O)nc(=O)c3s2)cc1 ZINC000481441188 994276931 /nfs/dbraw/zinc/27/69/31/994276931.db2.gz LRJFLLGIHKXXGC-YJBOKZPZSA-N -1 3 413.543 3.643 20 0 HHADHM O=S(=O)([N-][C@H](CO)c1ccc(Cl)cc1C(F)(F)F)c1ccc(F)c(F)c1 ZINC000481470837 994305195 /nfs/dbraw/zinc/30/51/95/994305195.db2.gz DATBSDBLUUVGJD-CQSZACIVSA-N -1 3 415.767 3.649 20 0 HHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]Cc1ccc(NC(=O)N(C)C)cc1 ZINC000481476792 994310535 /nfs/dbraw/zinc/31/05/35/994310535.db2.gz FRRAYDDPGASXIY-UHFFFAOYSA-N -1 3 421.906 3.967 20 0 HHADHM CN(Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1)C[C@@H]1CCCC[C@@H]1O ZINC000481538623 994369616 /nfs/dbraw/zinc/36/96/16/994369616.db2.gz DZLLHJHAWFWRJR-YOEHRIQHSA-N -1 3 401.507 3.774 20 0 HHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C1CC(F)(c2cccc(Cl)c2)C1 ZINC000481573585 994410781 /nfs/dbraw/zinc/41/07/81/994410781.db2.gz RDJPEAOGOCGYKH-UHFFFAOYSA-N -1 3 415.845 3.571 20 0 HHADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(-c3ncco3)c2)cc1 ZINC000481616056 994474352 /nfs/dbraw/zinc/47/43/52/994474352.db2.gz OUOAOMZQWZNMOX-UHFFFAOYSA-N -1 3 402.472 3.866 20 0 HHADHM O=C(NCc1ccc([O-])c(F)c1)c1cc(I)ccc1Cl ZINC000473605370 994486023 /nfs/dbraw/zinc/48/60/23/994486023.db2.gz COCOUNPUQUJHFU-UHFFFAOYSA-N -1 3 405.594 3.719 20 0 HHADHM O=C(Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)NCc1ncccc1[O-] ZINC000473639214 994520810 /nfs/dbraw/zinc/52/08/10/994520810.db2.gz OVWYOJXEJXYFIJ-UHFFFAOYSA-N -1 3 422.872 3.686 20 0 HHADHM CCOc1cc(C(=O)NCc2ncccc2[O-])ccc1OCCOc1ccccc1 ZINC000473643549 994527009 /nfs/dbraw/zinc/52/70/09/994527009.db2.gz PHZFDFLPMSWMID-UHFFFAOYSA-N -1 3 408.454 3.574 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000473655546 994541429 /nfs/dbraw/zinc/54/14/29/994541429.db2.gz DHGINNXOAAEHQE-ICSRJNTNSA-N -1 3 420.488 3.665 20 0 HHADHM CCOC(=O)c1cc([N-]C(=O)c2c(F)c(F)cc(F)c2F)cc(C(=O)OCC)c1 ZINC000481743759 994598079 /nfs/dbraw/zinc/59/80/79/994598079.db2.gz NJXAOBGQIMFPOP-UHFFFAOYSA-N -1 3 413.323 3.849 20 0 HHADHM Cc1ccc(F)c(OCC(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)c1 ZINC000481803815 994651969 /nfs/dbraw/zinc/65/19/69/994651969.db2.gz WZCPSPGPLRJEEW-UHFFFAOYSA-N -1 3 420.384 3.542 20 0 HHADHM Cc1ccsc1-c1nc(=NC(=O)NCCCN2CCc3ccccc3C2)s[n-]1 ZINC000473830363 994761935 /nfs/dbraw/zinc/76/19/35/994761935.db2.gz PMBDDCOFXCCYHX-UHFFFAOYSA-N -1 3 413.572 3.567 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]Cc2cccc(COC3CCOCC3)c2)sc1Cl ZINC000473859214 994796376 /nfs/dbraw/zinc/79/63/76/994796376.db2.gz YYYVSKGMGHFVTE-UHFFFAOYSA-N -1 3 415.964 3.884 20 0 HHADHM CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCc1ncccc1[O-] ZINC000473862808 994800445 /nfs/dbraw/zinc/80/04/45/994800445.db2.gz MRLVWHKKEINMBD-OAHLLOKOSA-N -1 3 410.301 3.555 20 0 HHADHM O=C(CCCOc1ccc(Cl)cc1Cl)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000473893281 994847150 /nfs/dbraw/zinc/84/71/50/994847150.db2.gz GOSFDQZPOIDIJD-UHFFFAOYSA-N -1 3 406.273 3.895 20 0 HHADHM O=C(CCCOc1ccc(Cl)cc1Cl)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000473893281 994847156 /nfs/dbraw/zinc/84/71/56/994847156.db2.gz GOSFDQZPOIDIJD-UHFFFAOYSA-N -1 3 406.273 3.895 20 0 HHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1cccc(NC(=O)C2CCCCC2)c1 ZINC000473894218 994849268 /nfs/dbraw/zinc/84/92/68/994849268.db2.gz DJTHBZSAQUWVHU-UHFFFAOYSA-N -1 3 404.474 3.562 20 0 HHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1cccc(NC(=O)C2CCCCC2)c1 ZINC000473894218 994849274 /nfs/dbraw/zinc/84/92/74/994849274.db2.gz DJTHBZSAQUWVHU-UHFFFAOYSA-N -1 3 404.474 3.562 20 0 HHADHM Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000473895245 994850570 /nfs/dbraw/zinc/85/05/70/994850570.db2.gz IDRCEFQZWZROKP-UHFFFAOYSA-N -1 3 412.812 3.799 20 0 HHADHM Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000473895245 994850581 /nfs/dbraw/zinc/85/05/81/994850581.db2.gz IDRCEFQZWZROKP-UHFFFAOYSA-N -1 3 412.812 3.799 20 0 HHADHM NC(=O)c1ccccc1Oc1ccc([N-]S(=O)(=O)c2ccc3ncccc3c2)cc1 ZINC000481969351 994858984 /nfs/dbraw/zinc/85/89/84/994858984.db2.gz GPWASULHDDGOLW-UHFFFAOYSA-N -1 3 419.462 3.927 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]Cc2cn3cc(Br)ccc3n2)sc1Cl ZINC000473905867 994868021 /nfs/dbraw/zinc/86/80/21/994868021.db2.gz ZVIZWWHCFDCQJP-UHFFFAOYSA-N -1 3 420.741 3.599 20 0 HHADHM COc1ccccc1N1CC[C@@H](C[N-]S(=O)(=O)c2cc(C)c(Cl)s2)C1 ZINC000473906029 994868208 /nfs/dbraw/zinc/86/82/08/994868208.db2.gz HFDTYDXJNDGGDP-ZDUSSCGKSA-N -1 3 400.953 3.523 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]C2CCN(Cc3ccc(F)cc3)CC2)sc1Cl ZINC000473908330 994871134 /nfs/dbraw/zinc/87/11/34/994871134.db2.gz DJZISRQOCPTMFA-UHFFFAOYSA-N -1 3 402.944 3.792 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(COC3CCOCC3)cc2)sc1Cl ZINC000473941034 994915615 /nfs/dbraw/zinc/91/56/15/994915615.db2.gz BEGCTDODPDOJJR-UHFFFAOYSA-N -1 3 415.964 3.884 20 0 HHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCC[C@@H](C(F)(F)F)[C@@H]1C ZINC000482015294 994924141 /nfs/dbraw/zinc/92/41/41/994924141.db2.gz JAFGHYNIYVWEDW-XJKSGUPXSA-N -1 3 408.424 3.675 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]CCc2ccc(OCC(F)(F)F)nc2)sc1Cl ZINC000473952225 994929770 /nfs/dbraw/zinc/92/97/70/994929770.db2.gz QGNXEIKWAPKCAU-UHFFFAOYSA-N -1 3 414.858 3.567 20 0 HHADHM CCCc1nnc([N-]C(=O)c2cc(C(=O)OC(C)(C)C)n(-c3ccccc3)n2)s1 ZINC000482037460 994957499 /nfs/dbraw/zinc/95/74/99/994957499.db2.gz IKXFNKPYDCDTRZ-UHFFFAOYSA-N -1 3 413.503 3.884 20 0 HHADHM C[C@@H](NC(=O)c1[nH]c(=O)[n-]c(=O)c1N)c1ccc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000482146654 995097476 /nfs/dbraw/zinc/09/74/76/995097476.db2.gz VUMJSVWLUPYELU-MRVPVSSYSA-N -1 3 424.404 3.708 20 0 HHADHM COC(=O)CCc1nnc([N-]C(=O)c2sc(C3CC3)nc2-c2ccccc2)s1 ZINC000482188316 995161687 /nfs/dbraw/zinc/16/16/87/995161687.db2.gz YXRZFUVCHRSJGT-UHFFFAOYSA-N -1 3 414.512 3.897 20 0 HHADHM O=C(CCC(=O)c1ccc(-c2ccccc2)cc1)NCc1nc(C(F)(F)F)n[n-]1 ZINC000482213075 995197261 /nfs/dbraw/zinc/19/72/61/995197261.db2.gz OPAWXVROSGAUGK-UHFFFAOYSA-N -1 3 402.376 3.770 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000482221212 995205651 /nfs/dbraw/zinc/20/56/51/995205651.db2.gz ZNNAAMWMMXDCHU-UHFFFAOYSA-N -1 3 412.375 3.606 20 0 HHADHM Cc1cc(C(=O)NCc2nc(C(F)(F)F)n[n-]2)nn1-c1ccc(Cl)cc1Cl ZINC000482228180 995212214 /nfs/dbraw/zinc/21/22/14/995212214.db2.gz JJNMIHLRONGGJX-UHFFFAOYSA-N -1 3 419.194 3.554 20 0 HHADHM Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000482232833 995215813 /nfs/dbraw/zinc/21/58/13/995215813.db2.gz CLAJUZAUINKCMW-UHFFFAOYSA-N -1 3 401.801 3.839 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1csc(-c2cccc(C(F)(F)F)c2)n1 ZINC000482249606 995229911 /nfs/dbraw/zinc/22/99/11/995229911.db2.gz ZECBFKYDEQUCMH-UHFFFAOYSA-N -1 3 421.326 3.896 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)NCC1(c2ccccc2)CCOCC1 ZINC000482270680 995247642 /nfs/dbraw/zinc/24/76/42/995247642.db2.gz UPWDBIDSRLJDRV-UHFFFAOYSA-N -1 3 419.319 3.702 20 0 HHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)c2cc(=O)[nH]c(C3CC3)c2)CC1 ZINC000474273129 995269625 /nfs/dbraw/zinc/26/96/25/995269625.db2.gz VDKFTEYCAAFLJM-UHFFFAOYSA-N -1 3 415.877 3.515 20 0 HHADHM COc1c2ccccc2oc1C[N-]S(=O)(=O)c1cc(C)ccc1Br ZINC000474389761 995364630 /nfs/dbraw/zinc/36/46/30/995364630.db2.gz OFSYWOAIZLKSEA-UHFFFAOYSA-N -1 3 410.289 3.991 20 0 HHADHM Cc1nc(C)c(CCC(=O)Nc2ccc(-n3cccn3)cc2C(F)(F)F)c(=O)[n-]1 ZINC000482394288 995378732 /nfs/dbraw/zinc/37/87/32/995378732.db2.gz QFHMUUDBRXDWOU-UHFFFAOYSA-N -1 3 405.380 3.575 20 0 HHADHM NC(=O)CSc1ccccc1[N-]C(=O)c1cc2sc(N3CCCC3)nc2s1 ZINC000474433230 995395556 /nfs/dbraw/zinc/39/55/56/995395556.db2.gz OGVCBIBVRYFKSV-UHFFFAOYSA-N -1 3 418.569 3.788 20 0 HHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCO[C@@H](C(C)C)C3)c2)cc1 ZINC000482444170 995440372 /nfs/dbraw/zinc/44/03/72/995440372.db2.gz GKSPLRGGPBUHNC-OAQYLSRUSA-N -1 3 416.543 3.601 20 0 HHADHM CC(C)(C)c1csc(CCNC(=O)NCc2ccc([O-])c(Br)c2)n1 ZINC000482462395 995466149 /nfs/dbraw/zinc/46/61/49/995466149.db2.gz JXQZIHCOHNHFJS-UHFFFAOYSA-N -1 3 412.353 3.951 20 0 HHADHM COc1ccc(C[C@@H](C)NC(=O)NCc2ccc([O-])c(Br)c2)cc1OC ZINC000482476413 995481789 /nfs/dbraw/zinc/48/17/89/995481789.db2.gz KVWMOVXQRTZEEL-GFCCVEGCSA-N -1 3 423.307 3.602 20 0 HHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1 ZINC000474539542 995506736 /nfs/dbraw/zinc/50/67/36/995506736.db2.gz KWGJRQVTWXILKG-UHFFFAOYSA-N -1 3 417.560 3.784 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)Nc1cc(F)ccc1OCC1CC1 ZINC000482505625 995515050 /nfs/dbraw/zinc/51/50/50/995515050.db2.gz HWSBRYSGJJRZPX-UHFFFAOYSA-N -1 3 422.460 3.640 20 0 HHADHM C[C@@H](NC(=O)NCc1ccc([O-])c(Br)c1)c1ccc(-n2cccn2)cc1 ZINC000482613661 995610810 /nfs/dbraw/zinc/61/08/10/995610810.db2.gz CWTYHIQCAABYAD-CYBMUJFWSA-N -1 3 415.291 3.901 20 0 HHADHM CC(C)c1c(NC(=O)c2cnc3c(cnn3C)c2[O-])cnn1-c1ccccc1Cl ZINC000482715615 995702709 /nfs/dbraw/zinc/70/27/09/995702709.db2.gz GXZJRVGUPKBTSE-UHFFFAOYSA-N -1 3 410.865 3.889 20 0 HHADHM CC(C)n1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)n1 ZINC000482728520 995711532 /nfs/dbraw/zinc/71/15/32/995711532.db2.gz FFNHUYUUBSXKEN-UHFFFAOYSA-N -1 3 402.451 3.656 20 0 HHADHM Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000482869417 995804858 /nfs/dbraw/zinc/80/48/58/995804858.db2.gz NHOHWZVHQXMYKN-JTQLQIEISA-N -1 3 410.425 3.816 20 0 HHADHM CC(C)Oc1ccc2ccccc2c1CNC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483312427 996092448 /nfs/dbraw/zinc/09/24/48/996092448.db2.gz VVXMGTVJOSITPO-UHFFFAOYSA-N -1 3 407.396 3.763 20 0 HHADHM C[C@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483539721 996240116 /nfs/dbraw/zinc/24/01/16/996240116.db2.gz FIBKWESZKDDGKD-ZETCQYMHSA-N -1 3 408.211 3.959 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000483547909 996244137 /nfs/dbraw/zinc/24/41/37/996244137.db2.gz YQWRRXASSITVOJ-JTQLQIEISA-N -1 3 407.318 3.541 20 0 HHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cc(Br)ccc1Br ZINC000475615059 996249258 /nfs/dbraw/zinc/24/92/58/996249258.db2.gz YHVQWNYURCWUPF-UHFFFAOYSA-N -1 3 413.979 3.601 20 0 HHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cc(Br)ccc1Br ZINC000475615059 996249262 /nfs/dbraw/zinc/24/92/62/996249262.db2.gz YHVQWNYURCWUPF-UHFFFAOYSA-N -1 3 413.979 3.601 20 0 HHADHM CCN(Cc1cccc(-c2ccncc2)c1)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483557684 996249554 /nfs/dbraw/zinc/24/95/54/996249554.db2.gz JZFVKPDUPRCPNI-UHFFFAOYSA-N -1 3 404.396 3.617 20 0 HHADHM CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483571359 996258439 /nfs/dbraw/zinc/25/84/39/996258439.db2.gz HGJRODYXMQVONR-UHFFFAOYSA-N -1 3 409.334 3.963 20 0 HHADHM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)c1cn[nH]c1C1CC1 ZINC000476024542 996549904 /nfs/dbraw/zinc/54/99/04/996549904.db2.gz PIRWXJPKZQJLMO-UHFFFAOYSA-N -1 3 418.425 3.618 20 0 HHADHM CC[C@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000484080177 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406.486 3.746 20 0 HHADHM Cc1nc(C)c(CCC(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)c(=O)[n-]1 ZINC000509808278 1004113246 /nfs/dbraw/zinc/11/32/46/1004113246.db2.gz AZHVLQGJMJKGBO-HNNXBMFYSA-N -1 3 405.882 3.582 20 0 HHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NCc3ccccc3Cl)cs2)c1 ZINC000509816885 1004119481 /nfs/dbraw/zinc/11/94/81/1004119481.db2.gz BYRCEEJALYNVJO-UHFFFAOYSA-N -1 3 415.902 3.922 20 0 HHADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N1CCC[C@H]1c1cccc(Cl)c1 ZINC000512253009 1004155148 /nfs/dbraw/zinc/15/51/48/1004155148.db2.gz YDQTWYBDLDCBMJ-ZDUSSCGKSA-N -1 3 419.355 3.697 20 0 HHADHM Cc1ccccc1N1CCN(C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)CC1 ZINC000509885750 1004180081 /nfs/dbraw/zinc/18/00/81/1004180081.db2.gz MBGDQXPUEIGNJL-UHFFFAOYSA-N -1 3 403.486 3.820 20 0 HHADHM CNC(=O)c1ccc(S(=O)(=O)[N-][C@H](c2cccc3ccccc32)C(F)(F)F)cc1 ZINC000512431661 1004297480 /nfs/dbraw/zinc/29/74/80/1004297480.db2.gz ITXJYOSLBIQLNO-GOSISDBHSA-N -1 3 422.428 3.781 20 0 HHADHM CC(C)(C)CNC(=O)C(C)(C)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000510060902 1004297993 /nfs/dbraw/zinc/29/79/93/1004297993.db2.gz WKRXWNWJLKDZMR-UHFFFAOYSA-N -1 3 414.877 3.578 20 0 HHADHM CCN(C(=O)CS(=O)(=O)[N-]c1ccc(OC(C)C)cc1)c1cccc(C)c1C ZINC000510094521 1004319231 /nfs/dbraw/zinc/31/92/31/1004319231.db2.gz WZACIKVUHBNFJJ-UHFFFAOYSA-N -1 3 404.532 3.885 20 0 HHADHM COc1ccc(C[C@@H](C)C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)cc1OC ZINC000510146511 1004356459 /nfs/dbraw/zinc/35/64/59/1004356459.db2.gz AVXSEMYSEAEUDI-CQSZACIVSA-N -1 3 407.470 3.580 20 0 HHADHM O=C(NCc1ccsc1Br)NCc1ccc([O-])c(Br)c1 ZINC000512628594 1004442180 /nfs/dbraw/zinc/44/21/80/1004442180.db2.gz FWBRHHVHNBMROD-UHFFFAOYSA-N -1 3 420.126 3.978 20 0 HHADHM O=S(=O)([N-][C@@H](CCO)C1CCCCC1)c1c(Cl)cccc1Br ZINC000510323006 1004480349 /nfs/dbraw/zinc/48/03/49/1004480349.db2.gz LNNHLTCLUGVUOM-AWEZNQCLSA-N -1 3 410.761 3.712 20 0 HHADHM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cc(F)c(Br)cc3F)ccc2O1 ZINC000512762025 1004543723 /nfs/dbraw/zinc/54/37/23/1004543723.db2.gz MIGJPKAYZHJBGS-MRVPVSSYSA-N -1 3 404.232 3.852 20 0 HHADHM O=S(=O)([N-]C[C@H](NCc1ccccc1)c1ccco1)c1cc(F)ccc1Cl ZINC000510441789 1004570074 /nfs/dbraw/zinc/57/00/74/1004570074.db2.gz HNXYLCMAOFMXLR-KRWDZBQOSA-N -1 3 408.882 3.882 20 0 HHADHM CCSc1ccc(CC(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)cc1 ZINC000501785387 1004726115 /nfs/dbraw/zinc/72/61/15/1004726115.db2.gz PLXKYMOTGNQSOO-UHFFFAOYSA-N -1 3 408.545 3.750 20 0 HHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cnoc3C)cc2)c(C)c1 ZINC000501792290 1004735620 /nfs/dbraw/zinc/73/56/20/1004735620.db2.gz HTMSSKPUEUYFRH-UHFFFAOYSA-N -1 3 415.471 3.743 20 0 HHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000512984716 1004744339 /nfs/dbraw/zinc/74/43/39/1004744339.db2.gz JFFZHQVBFOFCBY-RDTXWAMCSA-N -1 3 423.918 3.573 20 0 HHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)CSc2nc3ccccc3[nH]2)[nH][n-]1 ZINC000501839485 1004769595 /nfs/dbraw/zinc/76/95/95/1004769595.db2.gz PTBVBFXAVUSXQO-UHFFFAOYSA-N -1 3 413.890 3.768 20 0 HHADHM O=S(=O)(C[C@H]1CCCO1)[N-]C1(c2noc(C3CCCCC3)n2)CCCCCC1 ZINC000513079443 1004794908 /nfs/dbraw/zinc/79/49/08/1004794908.db2.gz FRJUBAGEPNBDQJ-QGZVFWFLSA-N -1 3 411.568 3.765 20 0 HHADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000510736360 1004824588 /nfs/dbraw/zinc/82/45/88/1004824588.db2.gz NBMHOYFHPVAYQM-UHFFFAOYSA-N -1 3 419.355 3.524 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N(C)[C@H](C)c1cc(F)ccc1F ZINC000510761666 1004837351 /nfs/dbraw/zinc/83/73/51/1004837351.db2.gz IEYNMQGWEBDQRR-CQSZACIVSA-N -1 3 412.440 3.571 20 0 HHADHM O=C(Nc1ccccc1)N1CC[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000510774047 1004844905 /nfs/dbraw/zinc/84/49/05/1004844905.db2.gz MUWVHFFBGALTLW-CYBMUJFWSA-N -1 3 414.314 3.578 20 0 HHADHM COC(=O)[C@H](CNC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)c1ccc(C)cc1 ZINC000502069600 1004888533 /nfs/dbraw/zinc/88/85/33/1004888533.db2.gz UMCAFPQNNUUWGM-LJQANCHMSA-N -1 3 420.469 3.544 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC[C@H](C)SC)c2)cc1 ZINC000502075225 1004891019 /nfs/dbraw/zinc/89/10/19/1004891019.db2.gz BRLAECSULOYKQC-HNNXBMFYSA-N -1 3 422.572 3.676 20 0 HHADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1ccc(Br)c(OC(F)(F)F)c1 ZINC000513424626 1004960014 /nfs/dbraw/zinc/96/00/14/1004960014.db2.gz YYNJMVWPQWYMGM-UHFFFAOYSA-N -1 3 417.141 3.978 20 0 HHADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H](c2ccccc2)c2ccc(C)cc2)c1 ZINC000502211977 1004960502 /nfs/dbraw/zinc/96/05/02/1004960502.db2.gz XKGGHALJRRCJJZ-LJQANCHMSA-N -1 3 401.509 3.911 20 0 HHADHM C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1cncc([N-]S(C)(=O)=O)c1 ZINC000502220440 1004964628 /nfs/dbraw/zinc/96/46/28/1004964628.db2.gz SBNLJORHLQTLHP-SNVBAGLBSA-N -1 3 402.303 3.593 20 0 HHADHM CS(=O)(=O)[N-]c1cncc(C(=O)N[C@@H](c2cc3ccccc3o2)c2ccccc2)c1 ZINC000502252683 1004978610 /nfs/dbraw/zinc/97/86/10/1004978610.db2.gz JKNNSFGRMVRNES-OAQYLSRUSA-N -1 3 421.478 3.719 20 0 HHADHM C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)c1c(F)cncc1F ZINC000511030924 1004988216 /nfs/dbraw/zinc/98/82/16/1004988216.db2.gz PSDYXDOJSDWHRR-ZETCQYMHSA-N -1 3 411.655 3.815 20 0 HHADHM C[C@@H](c1ccc(F)cc1)N1CCC[C@@H](NC(=O)CCCc2ccc([O-])c(F)c2)C1=O ZINC000513511833 1004998052 /nfs/dbraw/zinc/99/80/52/1004998052.db2.gz HIJULUXXFBACPR-MGPUTAFESA-N -1 3 416.468 3.862 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)Cn3cnc4ccccc43)cc2)cc1 ZINC000511082960 1005010536 /nfs/dbraw/zinc/01/05/36/1005010536.db2.gz VYHZJNSWKNRHHZ-UHFFFAOYSA-N -1 3 420.494 3.784 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2c(C)cc(Br)cc2C)cc1OC ZINC000511223837 1005080959 /nfs/dbraw/zinc/08/09/59/1005080959.db2.gz SJHIYIMEVKQDKF-UHFFFAOYSA-N -1 3 400.294 3.884 20 0 HHADHM Cc1cc(Br)cc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)CCC(=O)N2 ZINC000511244382 1005088351 /nfs/dbraw/zinc/08/83/51/1005088351.db2.gz SZLWUQVAFIOJOX-UHFFFAOYSA-N -1 3 409.305 3.751 20 0 HHADHM Cc1cc(-c2csc([N-]c3ncnc4c3cnn4C)n2)c(C)n1C[C@@H]1CCCO1 ZINC000502725915 1005192723 /nfs/dbraw/zinc/19/27/23/1005192723.db2.gz IWDKKXVFCSKISE-AWEZNQCLSA-N -1 3 409.519 3.828 20 0 HHADHM COc1cc(C(=O)NCCCOc2ccc(Cl)cc2Cl)cc(OC)c1[O-] ZINC000513963129 1005204362 /nfs/dbraw/zinc/20/43/62/1005204362.db2.gz LREAOYOOXZHZCS-UHFFFAOYSA-N -1 3 400.258 3.915 20 0 HHADHM CCCCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)OC)cc2)c(C)c1 ZINC000511507247 1005204781 /nfs/dbraw/zinc/20/47/81/1005204781.db2.gz OJAUMHKKNSGDKH-UHFFFAOYSA-N -1 3 407.488 3.527 20 0 HHADHM Cc1ccc(CNC(=O)c2cncc([N-]S(C)(=O)=O)c2)c(O[C@H](C)CC(C)C)c1 ZINC000502818275 1005230760 /nfs/dbraw/zinc/23/07/60/1005230760.db2.gz STNYOCLSEJHKDZ-MRXNPFEDSA-N -1 3 419.547 3.505 20 0 HHADHM CS(=O)(=O)[N-]c1cncc(C(=O)Nc2cccc(CSC3CCCC3)c2)c1 ZINC000502836347 1005238817 /nfs/dbraw/zinc/23/88/17/1005238817.db2.gz RTHSUUPZLHQTPJ-UHFFFAOYSA-N -1 3 405.545 3.881 20 0 HHADHM CCN(C(=O)c1cncc([N-]S(C)(=O)=O)c1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000502841816 1005240511 /nfs/dbraw/zinc/24/05/11/1005240511.db2.gz LZLGXEYYCWWOLN-LBPRGKRZSA-N -1 3 415.437 3.695 20 0 HHADHM CS(=O)(=O)[N-]c1cncc(C(=O)N[C@@H](CC2CCCCC2)c2ccccc2)c1 ZINC000502921148 1005275401 /nfs/dbraw/zinc/27/54/01/1005275401.db2.gz NHFCWMHRCSUURJ-FQEVSTJZSA-N -1 3 401.532 3.895 20 0 HHADHM CS(=O)(=O)[N-]c1cncc(C(=O)NC2(c3ccc(Cl)cc3)CCCCC2)c1 ZINC000502945416 1005286332 /nfs/dbraw/zinc/28/63/32/1005286332.db2.gz ONHZSOVVWSUZPQ-UHFFFAOYSA-N -1 3 407.923 3.696 20 0 HHADHM CS(=O)(=O)[N-]c1cncc(C(=O)Nc2ccc(F)cc2-c2ccc(F)cc2)c1 ZINC000502976659 1005300174 /nfs/dbraw/zinc/30/01/74/1005300174.db2.gz UBRBUDZTEDCVEQ-UHFFFAOYSA-N -1 3 403.410 3.651 20 0 HHADHM CCOC(=O)CSc1nnc([N-]C(=O)c2cnccc2Oc2ccccc2)s1 ZINC000503149109 1005357457 /nfs/dbraw/zinc/35/74/57/1005357457.db2.gz KOYMZXCDWCFPLX-UHFFFAOYSA-N -1 3 416.484 3.633 20 0 HHADHM CS(=O)(=O)[N-]c1cncc(C(=O)Nc2nc(-c3cccc4ccccc43)cs2)c1 ZINC000503312752 1005388400 /nfs/dbraw/zinc/38/84/00/1005388400.db2.gz GYLVXLWFJKIWEB-UHFFFAOYSA-N -1 3 424.507 3.982 20 0 HHADHM CS(=O)(=O)[N-]c1cncc(C(=O)Nc2c(F)cccc2Oc2ccccc2)c1 ZINC000503345703 1005394968 /nfs/dbraw/zinc/39/49/68/1005394968.db2.gz PMYGSWQKRVHATF-UHFFFAOYSA-N -1 3 401.419 3.637 20 0 HHADHM CCCOc1ccccc1[C@@H](CC(C)C)NC(=O)c1cncc([N-]S(C)(=O)=O)c1 ZINC000503561056 1005452742 /nfs/dbraw/zinc/45/27/42/1005452742.db2.gz GJHAFDOYMDJBQK-LJQANCHMSA-N -1 3 419.547 3.759 20 0 HHADHM COC(=O)c1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)nc1C1CC1 ZINC000503852435 1005500346 /nfs/dbraw/zinc/50/03/46/1005500346.db2.gz CGHKYJNNDBPEIT-UHFFFAOYSA-N -1 3 415.298 3.531 20 0 HHADHM Cc1sc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)nc1-c1c[nH]c2ncccc12 ZINC000503897553 1005506821 /nfs/dbraw/zinc/50/68/21/1005506821.db2.gz NJAMOIBJXIBMHD-UHFFFAOYSA-N -1 3 408.487 3.679 20 0 HHADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)Nc1ccc2c3c(cccc31)CC2 ZINC000504050095 1005540987 /nfs/dbraw/zinc/54/09/87/1005540987.db2.gz HPFQRCABSKHEEO-UHFFFAOYSA-N -1 3 406.916 3.570 20 0 HHADHM CCOC[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)C1 ZINC000504164962 1005565540 /nfs/dbraw/zinc/56/55/40/1005565540.db2.gz MLJTYEDVIXQJHS-MRXNPFEDSA-N -1 3 420.506 3.515 20 0 HHADHM O=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1ccc(Br)cc1[O-] ZINC000514820260 1006152010 /nfs/dbraw/zinc/15/20/10/1006152010.db2.gz CQMDICQYKSDSFW-UHFFFAOYSA-N -1 3 411.683 3.957 20 0 HHADHM CC1(C)CC(=O)c2cc(C(=O)Nc3cc(Br)ccc3[O-])c(=O)[nH]c2C1 ZINC000531393934 1006171223 /nfs/dbraw/zinc/17/12/23/1006171223.db2.gz IKWHBFUYZAAOCX-UHFFFAOYSA-N -1 3 405.248 3.663 20 0 HHADHM COc1cccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3cccc4ccc(C)nc43)n2)c1 ZINC000531486843 1006225865 /nfs/dbraw/zinc/22/58/65/1006225865.db2.gz WLNDNXIKGHBMKZ-AWEZNQCLSA-N -1 3 424.482 3.641 20 0 HHADHM O=C(NCc1ccc([O-])c(F)c1)NC1CCN(c2nc3ccccc3s2)CC1 ZINC000531687057 1006353978 /nfs/dbraw/zinc/35/39/78/1006353978.db2.gz XTJUPSPVJCTLPM-UHFFFAOYSA-N -1 3 400.479 3.609 20 0 HHADHM CCOc1ccccc1N(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000534391620 1006365665 /nfs/dbraw/zinc/36/56/65/1006365665.db2.gz VNXIQLFBCBSPKD-UHFFFAOYSA-N -1 3 417.462 3.630 20 0 HHADHM CC[C@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C)[C@@H]1CCCO1 ZINC000534406511 1006381533 /nfs/dbraw/zinc/38/15/33/1006381533.db2.gz VMJPUACREXMKAX-SFTDATJTSA-N -1 3 416.543 3.792 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N(C)[C@H]1CCSC1 ZINC000534458456 1006441876 /nfs/dbraw/zinc/44/18/76/1006441876.db2.gz WKIVSVXDIFWAHX-AWEZNQCLSA-N -1 3 408.520 3.512 20 0 HHADHM Cc1cccc(C(C)C)c1NC(=O)C[S@](=O)Cc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000534500452 1006499710 /nfs/dbraw/zinc/49/97/10/1006499710.db2.gz FGGTUBSVAKRHHX-MUUNZHRXSA-N -1 3 415.437 3.520 20 0 HHADHM COC[C@@H]([N-]S(=O)(=O)c1cc(F)c(Br)cc1F)c1ccc(F)cc1 ZINC000534513211 1006509358 /nfs/dbraw/zinc/50/93/58/1006509358.db2.gz LOVJVAFBUSPAFP-CQSZACIVSA-N -1 3 424.238 3.532 20 0 HHADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(-c3ncco3)c2)cc1C ZINC000531951812 1006540987 /nfs/dbraw/zinc/54/09/87/1006540987.db2.gz IGLSLWWVKAKGNT-UHFFFAOYSA-N -1 3 402.472 3.784 20 0 HHADHM CCCOc1ccc([N-]S(=O)(=O)c2ccc(O)c(C(=O)OC)c2)cc1OCCC ZINC000515623752 1006563492 /nfs/dbraw/zinc/56/34/92/1006563492.db2.gz CCFNKXMOHCUFMV-UHFFFAOYSA-N -1 3 423.487 3.557 20 0 HHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(S(=O)(=O)N(C)C(C)C)ccc2C)c(C)c1 ZINC000515629892 1006567986 /nfs/dbraw/zinc/56/79/86/1006567986.db2.gz QOEITCLXBBYRLE-UHFFFAOYSA-N -1 3 424.588 3.750 20 0 HHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)CCc2ccc(OC(C)C)cc2)s1 ZINC000515707177 1006603891 /nfs/dbraw/zinc/60/38/91/1006603891.db2.gz JPOMVBXDJGZTSF-CQSZACIVSA-N -1 3 411.545 3.622 20 0 HHADHM CCc1ccc([C@@H](C[N-]S(=O)(=O)c2sccc2Br)N(C)C)cc1 ZINC000515729584 1006626276 /nfs/dbraw/zinc/62/62/76/1006626276.db2.gz JJRQSQRSYKFIHU-OAHLLOKOSA-N -1 3 417.394 3.654 20 0 HHADHM O=S(=O)([N-]CCCNc1ccc(C(F)(F)F)cn1)c1ccc(Cl)cc1F ZINC000515737895 1006631265 /nfs/dbraw/zinc/63/12/65/1006631265.db2.gz UINQSAJQTSMVMS-UHFFFAOYSA-N -1 3 411.808 3.673 20 0 HHADHM O=C(N[C@@H](c1cccs1)C1CC1)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000515749355 1006637857 /nfs/dbraw/zinc/63/78/57/1006637857.db2.gz MYIORCYAZFOYJL-GOSISDBHSA-N -1 3 419.503 3.897 20 0 HHADHM COc1cc(C)c(Br)cc1S(=O)(=O)[N-]c1ccc2nc(C)[nH]c2c1 ZINC000534682574 1006661170 /nfs/dbraw/zinc/66/11/70/1006661170.db2.gz ZTODCAVROLIDEU-UHFFFAOYSA-N -1 3 410.293 3.752 20 0 HHADHM O=C(Nc1cc(Br)ccc1[O-])[C@@]12CCC(=O)N1c1ccccc1S2 ZINC000534701455 1006687540 /nfs/dbraw/zinc/68/75/40/1006687540.db2.gz UBVMPHOXSNMRNB-KRWDZBQOSA-N -1 3 405.273 3.722 20 0 HHADHM Cc1cc(C)n(-c2ccc(CC(=O)NCc3ccc([O-])c(Br)c3)cc2)n1 ZINC000532273657 1006762387 /nfs/dbraw/zinc/76/23/87/1006762387.db2.gz NPMOAWOXPJAHQL-UHFFFAOYSA-N -1 3 414.303 3.816 20 0 HHADHM CCC[C@@H]1CN(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)ccc2C)CCO1 ZINC000534783085 1006783481 /nfs/dbraw/zinc/78/34/81/1006783481.db2.gz ITPAHKHKIXQPTM-MRXNPFEDSA-N -1 3 420.506 3.576 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N(C)Cc3ccc(Cl)cc3)c2)n1 ZINC000515963731 1006793077 /nfs/dbraw/zinc/79/30/77/1006793077.db2.gz DAJPYNYBPIQGQZ-UHFFFAOYSA-N -1 3 424.888 3.662 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1OC ZINC000515998084 1006819530 /nfs/dbraw/zinc/81/95/30/1006819530.db2.gz QRPNNAOMZXUTLU-NWDGAFQWSA-N -1 3 408.442 3.764 20 0 HHADHM CC(C)C[C@@H]1C[C@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CCO1 ZINC000538600277 1006869816 /nfs/dbraw/zinc/86/98/16/1006869816.db2.gz WFCOCBRNICYCSF-ZIAGYGMSSA-N -1 3 407.308 3.614 20 0 HHADHM O=C(Cn1c2ccccc2nc1C1CCCCC1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000534874860 1006902458 /nfs/dbraw/zinc/90/24/58/1006902458.db2.gz GFTBPUKJBNQALK-UHFFFAOYSA-N -1 3 401.474 3.903 20 0 HHADHM O=C(Cn1c2ccccc2nc1C1CCCCC1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000534874860 1006902475 /nfs/dbraw/zinc/90/24/75/1006902475.db2.gz GFTBPUKJBNQALK-UHFFFAOYSA-N -1 3 401.474 3.903 20 0 HHADHM CSc1nc(C)c(CCC(=O)Nc2ccc3nc(-c4ccco4)[nH]c3c2)c(=O)[n-]1 ZINC000516130048 1006903868 /nfs/dbraw/zinc/90/38/68/1006903868.db2.gz OEPBTVDIQBQDQJ-UHFFFAOYSA-N -1 3 409.471 3.920 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C2(c3cc(C)cc(C)c3)CC2)cc1OC ZINC000516130999 1006904953 /nfs/dbraw/zinc/90/49/53/1006904953.db2.gz GAKIZSBMNSCIBH-UHFFFAOYSA-N -1 3 402.516 3.744 20 0 HHADHM CC[C@H](C)n1ncc(C(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)c1C1CC1 ZINC000534877892 1006906011 /nfs/dbraw/zinc/90/60/11/1006906011.db2.gz KETQMXUUQVPPIQ-ZDUSSCGKSA-N -1 3 420.535 3.754 20 0 HHADHM O=C(c1ccc(F)cc1)N1CCCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)CC1 ZINC000532555439 1006987396 /nfs/dbraw/zinc/98/73/96/1006987396.db2.gz LLCYVYHZLVZBGB-UHFFFAOYSA-N -1 3 420.444 3.569 20 0 HHADHM CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2cccc([O-])c2F)cc1 ZINC000534945319 1006987597 /nfs/dbraw/zinc/98/75/97/1006987597.db2.gz JDFMISPPCXRIHV-UHFFFAOYSA-N -1 3 406.479 3.737 20 0 HHADHM CCCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)cc1F ZINC000534971838 1007029365 /nfs/dbraw/zinc/02/93/65/1007029365.db2.gz IJXSKRPVLCAHOP-UHFFFAOYSA-N -1 3 420.915 3.740 20 0 HHADHM COC(=O)c1cccc2[n-]c(NC(=O)CCn3c4ccccc4nc3C3CC3)nc21 ZINC000538764874 1007049688 /nfs/dbraw/zinc/04/96/88/1007049688.db2.gz HBNHMXQASGWJFM-UHFFFAOYSA-N -1 3 403.442 3.605 20 0 HHADHM COc1cc(F)c([N-]C(=O)c2cc(COc3cccc(C(C)=O)c3)on2)cc1F ZINC000538861273 1007137844 /nfs/dbraw/zinc/13/78/44/1007137844.db2.gz CQKVEXYKMVXLPE-UHFFFAOYSA-N -1 3 402.353 3.995 20 0 HHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535129480 1007166245 /nfs/dbraw/zinc/16/62/45/1007166245.db2.gz KSXZWDWSVITJAB-RDJZCZTQSA-N -1 3 420.916 3.756 20 0 HHADHM O=S(=O)(Cc1ccc(F)c(Cl)c1)NCc1ccc([O-])c(Br)c1 ZINC000535141040 1007179643 /nfs/dbraw/zinc/17/96/43/1007179643.db2.gz GGQHMSGWIWGDKJ-UHFFFAOYSA-N -1 3 408.676 3.567 20 0 HHADHM Cc1cnc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)c(Br)c1 ZINC000532800609 1007189639 /nfs/dbraw/zinc/18/96/39/1007189639.db2.gz WHJKRCAOBVKVPS-UHFFFAOYSA-N -1 3 411.199 3.852 20 0 HHADHM CC(C)(C)[S@@](=O)Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)c1 ZINC000538938788 1007222671 /nfs/dbraw/zinc/22/26/71/1007222671.db2.gz IUYKBNWMIQIXEB-SANMLTNESA-N -1 3 407.557 3.860 20 0 HHADHM CC[C@@H]1CCCC[C@@H]1NC(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000532886579 1007267342 /nfs/dbraw/zinc/26/73/42/1007267342.db2.gz CCIYHQCXCLPWDP-ABAIWWIYSA-N -1 3 424.282 3.831 20 0 HHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cc(OCC(F)(F)F)c2ccccc2n1 ZINC000539038698 1007336685 /nfs/dbraw/zinc/33/66/85/1007336685.db2.gz KBUILYVZSQZZDP-UHFFFAOYSA-N -1 3 414.347 3.608 20 0 HHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cc(OCC(F)(F)F)c2ccccc2n1 ZINC000539038698 1007336694 /nfs/dbraw/zinc/33/66/94/1007336694.db2.gz KBUILYVZSQZZDP-UHFFFAOYSA-N -1 3 414.347 3.608 20 0 HHADHM C[C@@H](CC(=O)c1ccccc1)[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000535331402 1007383955 /nfs/dbraw/zinc/38/39/55/1007383955.db2.gz GPEXEWBHVRNRCL-NSHDSACASA-N -1 3 400.269 3.528 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)Cc2cccc(C(=O)OC)c2)c(C(F)(F)F)c1 ZINC000539111165 1007397985 /nfs/dbraw/zinc/39/79/85/1007397985.db2.gz JLBZTGBKZWFYBF-UHFFFAOYSA-N -1 3 417.405 3.833 20 0 HHADHM COC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)c1ccc(F)c(F)c1 ZINC000539117522 1007405805 /nfs/dbraw/zinc/40/58/05/1007405805.db2.gz QCNUATWIPBBWSK-AWEZNQCLSA-N -1 3 424.238 3.532 20 0 HHADHM COc1ccc(-n2c(C)nnc2SCC(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000533081849 1007444725 /nfs/dbraw/zinc/44/47/25/1007444725.db2.gz HNKUMQSKTJWTHR-UHFFFAOYSA-N -1 3 404.879 3.674 20 0 HHADHM O=S(=O)([N-]CCNCc1csc(-c2ccsc2)n1)c1ccc(Cl)s1 ZINC000533104004 1007456446 /nfs/dbraw/zinc/45/64/46/1007456446.db2.gz DWXQTEXDBZLSJS-UHFFFAOYSA-N -1 3 420.006 3.655 20 0 HHADHM COC(=O)[C@@H](c1ccccc1)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000533148118 1007485504 /nfs/dbraw/zinc/48/55/04/1007485504.db2.gz SGVHWIUJRBLNBI-LJQANCHMSA-N -1 3 402.878 3.610 20 0 HHADHM O=C(Nc1ccc(Cl)cc1[O-])c1cccc(S(=O)(=O)NCc2cccs2)c1 ZINC000533159816 1007498181 /nfs/dbraw/zinc/49/81/81/1007498181.db2.gz YRRLKEYXSLZCLS-UHFFFAOYSA-N -1 3 422.915 3.838 20 0 HHADHM COc1ccccc1[C@H]([N-]S(=O)(=O)c1c(C)nn(C(C)C)c1C)c1ccco1 ZINC000533188256 1007526448 /nfs/dbraw/zinc/52/64/48/1007526448.db2.gz FRWWKZAZNIELSF-IBGZPJMESA-N -1 3 403.504 3.750 20 0 HHADHM COC(=O)c1sc2[n-]c(CN(C)[C@@H](C)c3cc(F)ccc3F)nc(=O)c2c1C ZINC000533240617 1007560859 /nfs/dbraw/zinc/56/08/59/1007560859.db2.gz WOFZIXDPLNZCFI-JTQLQIEISA-N -1 3 407.442 3.551 20 0 HHADHM C[C@H](c1cccnc1)N1CCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)CC1 ZINC000533292853 1007607622 /nfs/dbraw/zinc/60/76/22/1007607622.db2.gz FQIDNMCQJQQXLD-OAHLLOKOSA-N -1 3 421.526 3.931 20 0 HHADHM CN(Cc1nc2c3ccccc3oc2c(=O)[n-]1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000533297809 1007613094 /nfs/dbraw/zinc/61/30/94/1007613094.db2.gz FPNZKFSBVKHIMN-KRWDZBQOSA-N -1 3 402.454 3.709 20 0 HHADHM C[C@@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000517427177 1007650040 /nfs/dbraw/zinc/65/00/40/1007650040.db2.gz AURGSJOULDVICT-VFZGTOFNSA-N -1 3 402.697 3.903 20 0 HHADHM Cc1c(C(=O)[N-]c2c(F)cc(Cl)cc2F)nnn1-c1ccc2c(c1)OCCO2 ZINC000539351628 1007652907 /nfs/dbraw/zinc/65/29/07/1007652907.db2.gz YTOMEWMCZRBOQS-UHFFFAOYSA-N -1 3 406.776 3.531 20 0 HHADHM COc1ccc(CC(=O)NCc2ccc(C(=O)Nc3cccc([O-])c3F)cc2)cc1 ZINC000535657891 1007672455 /nfs/dbraw/zinc/67/24/55/1007672455.db2.gz GNSGZDWLPPYPJL-UHFFFAOYSA-N -1 3 408.429 3.651 20 0 HHADHM Cn1ccnc1[C@H](NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)C1CC1 ZINC000539396737 1007703120 /nfs/dbraw/zinc/70/31/20/1007703120.db2.gz NZQLRVROVSYYOF-HXUWFJFHSA-N -1 3 414.506 3.601 20 0 HHADHM Cc1cc(F)ccc1-n1cc(C(=O)[N-]c2nnc(Cc3ccc(F)cc3)s2)nn1 ZINC000535765490 1007778441 /nfs/dbraw/zinc/77/84/41/1007778441.db2.gz YOIRPVBFIBYILK-UHFFFAOYSA-N -1 3 412.425 3.549 20 0 HHADHM O=C(N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1)c1cc(=O)c2ccccc2[n-]1 ZINC000517700045 1007914297 /nfs/dbraw/zinc/91/42/97/1007914297.db2.gz LNPYMWKYBMCOIC-MRXNPFEDSA-N -1 3 413.880 3.715 20 0 HHADHM COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000533618744 1007919841 /nfs/dbraw/zinc/91/98/41/1007919841.db2.gz FQEMUZPTWOSRCT-OAHLLOKOSA-N -1 3 409.269 3.951 20 0 HHADHM O=C(COc1ccccc1Cl)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000533618334 1007920432 /nfs/dbraw/zinc/92/04/32/1007920432.db2.gz DRCHDVYVWAFFDF-UHFFFAOYSA-N -1 3 423.296 3.955 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H]3CCO[C@@H](C)C3)ccc2C)cc1 ZINC000539610144 1007926652 /nfs/dbraw/zinc/92/66/52/1007926652.db2.gz QWVFDSBIUPQYTE-JKSUJKDBSA-N -1 3 418.515 3.558 20 0 HHADHM CC(C)(C)NS(=O)(=O)c1ccccc1[N-]C(=O)c1cc(-c2cccc(F)c2)no1 ZINC000517736993 1007938299 /nfs/dbraw/zinc/93/82/99/1007938299.db2.gz FHVSZUUTQAGCAY-UHFFFAOYSA-N -1 3 417.462 3.810 20 0 HHADHM C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)[C@@H]1COc2ccccc21 ZINC000533636613 1007943235 /nfs/dbraw/zinc/94/32/35/1007943235.db2.gz CJCWUXOKBVXQOG-GWCFXTLKSA-N -1 3 416.724 3.946 20 0 HHADHM CC(=O)Nc1ccc([O-])c(C(=O)NC(C)(C)Cc2ccc(Br)cc2)c1 ZINC000533650953 1007963817 /nfs/dbraw/zinc/96/38/17/1007963817.db2.gz LHKZYYAZIVJIKW-UHFFFAOYSA-N -1 3 405.292 3.864 20 0 HHADHM COc1ccc(-c2nc(C)c(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)s2)cc1OC ZINC000517814553 1007987817 /nfs/dbraw/zinc/98/78/17/1007987817.db2.gz RPXPKKLDWPRPFY-UHFFFAOYSA-N -1 3 422.470 3.568 20 0 HHADHM COc1ccc(-c2nc(C)c(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)s2)cc1OC ZINC000517814553 1007987832 /nfs/dbraw/zinc/98/78/32/1007987832.db2.gz RPXPKKLDWPRPFY-UHFFFAOYSA-N -1 3 422.470 3.568 20 0 HHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1Cc2ccccc2S1 ZINC000517836489 1008002484 /nfs/dbraw/zinc/00/24/84/1008002484.db2.gz WRFFOVSKFCHFBM-HNNXBMFYSA-N -1 3 416.446 3.732 20 0 HHADHM O=S(=O)([N-]C[C@@H](CO)Cc1ccc(C(F)(F)F)cc1)c1ccc(Cl)s1 ZINC000533693497 1008017659 /nfs/dbraw/zinc/01/76/59/1008017659.db2.gz JBZVYAUAAJCHPG-NSHDSACASA-N -1 3 413.870 3.550 20 0 HHADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(CS(=O)(=O)C(C)C)cc2)cc1CC ZINC000533787462 1008110490 /nfs/dbraw/zinc/11/04/90/1008110490.db2.gz XXKUKSJSXVNAAI-UHFFFAOYSA-N -1 3 409.573 3.935 20 0 HHADHM O=c1cc(C(F)(F)F)nc(C[S@@](=O)Cc2ncc(-c3cccc(Cl)c3)o2)[n-]1 ZINC000533787417 1008110538 /nfs/dbraw/zinc/11/05/38/1008110538.db2.gz FIPPEMPNRDJWNG-HHHXNRCGSA-N -1 3 417.796 3.958 20 0 HHADHM O=c1cc(C(F)(F)F)nc(C[S@@](=O)Cc2coc(-c3cccc(Cl)c3)n2)[n-]1 ZINC000533788486 1008111892 /nfs/dbraw/zinc/11/18/92/1008111892.db2.gz KCGRMFIONUHMIQ-MHZLTWQESA-N -1 3 417.796 3.958 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)[C@H](C)C(C)C)c2)cc1 ZINC000518044360 1008124374 /nfs/dbraw/zinc/12/43/74/1008124374.db2.gz CIJRMOISSITQHK-MRXNPFEDSA-N -1 3 404.532 3.921 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(CCc2cccc(F)c2)C2CC2)c1 ZINC000539936095 1008193001 /nfs/dbraw/zinc/19/30/01/1008193001.db2.gz WEDOAMCQSHQCDL-UHFFFAOYSA-N -1 3 423.444 3.927 20 0 HHADHM O=S(=O)([N-][C@@H](c1cccnc1)C1CC1)c1cc(Br)ccc1Cl ZINC000533913663 1008201076 /nfs/dbraw/zinc/20/10/76/1008201076.db2.gz GTDWFDSVKKCRGX-OAHLLOKOSA-N -1 3 401.713 3.927 20 0 HHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OCc3nccn3C)cc2)c(C)c1 ZINC000518198464 1008202941 /nfs/dbraw/zinc/20/29/41/1008202941.db2.gz PAUFLEHMIYMGJB-UHFFFAOYSA-N -1 3 401.488 3.507 20 0 HHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H]1CCSc2c(F)cccc21 ZINC000518216674 1008208484 /nfs/dbraw/zinc/20/84/84/1008208484.db2.gz 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ZINC000545460783 1008571747 /nfs/dbraw/zinc/57/17/47/1008571747.db2.gz WIEMBVGHMXWEMM-UHFFFAOYSA-N -1 3 411.483 3.913 20 0 HHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@@H]3CCc4ccccc4C3)cs2)c1 ZINC000545461982 1008572329 /nfs/dbraw/zinc/57/23/29/1008572329.db2.gz COKFEUXEUUYBCC-QGZVFWFLSA-N -1 3 421.522 3.626 20 0 HHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)Nc3nc(C4CC4)cs3)cs2)c1 ZINC000545479458 1008585331 /nfs/dbraw/zinc/58/53/31/1008585331.db2.gz MOOPXOSRKOSKTC-UHFFFAOYSA-N -1 3 414.512 3.925 20 0 HHADHM CCN(C(=O)c1cccc(Br)c1[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000545491305 1008594594 /nfs/dbraw/zinc/59/45/94/1008594594.db2.gz GIYUHELAGCAYNG-MRXNPFEDSA-N -1 3 403.320 3.891 20 0 HHADHM COC(=O)CCc1ccc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)cc1 ZINC000519215268 1008619639 /nfs/dbraw/zinc/61/96/39/1008619639.db2.gz BECMCLLHKGTMIF-UHFFFAOYSA-N -1 3 417.405 3.534 20 0 HHADHM CC(C)Oc1ccc([N-]S(=O)(=O)Cc2nc(Cc3ccccc3F)no2)cc1 ZINC000545547222 1008646026 /nfs/dbraw/zinc/64/60/26/1008646026.db2.gz 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/nfs/dbraw/zinc/19/89/39/1009198939.db2.gz LBBQOHBCRHCVGR-UHFFFAOYSA-N -1 3 411.458 3.680 20 0 HHADHM CC[C@@H]([N-]S(=O)(=O)Cc1noc2ccccc12)c1nc(C(F)(F)F)cs1 ZINC000546177045 1009206864 /nfs/dbraw/zinc/20/68/64/1009206864.db2.gz QYENONIQGGVQKT-SNVBAGLBSA-N -1 3 405.423 3.874 20 0 HHADHM COc1cccc(-c2nc(=NC(=O)N[C@H]3CCN([C@@H](C)c4ccccc4)C3)s[n-]2)c1 ZINC000543614102 1009219063 /nfs/dbraw/zinc/21/90/63/1009219063.db2.gz JBFNWCCMUCRSHR-YJBOKZPZSA-N -1 3 423.542 3.593 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000546197836 1009224516 /nfs/dbraw/zinc/22/45/16/1009224516.db2.gz SPDIPFBLMFEXJZ-MRXNPFEDSA-N -1 3 416.525 3.829 20 0 HHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3ccc(N(C)C)cn3)c2)cc1 ZINC000520126108 1009279747 /nfs/dbraw/zinc/27/97/47/1009279747.db2.gz LHIQSPYQSFVFOS-UHFFFAOYSA-N -1 3 424.526 3.818 20 0 HHADHM CCc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)C[C@@H](C)COC3CCCC3)n2)cc1 ZINC000549778733 1009388786 /nfs/dbraw/zinc/38/87/86/1009388786.db2.gz QLJKRQKSEZQTEK-HOTGVXAUSA-N -1 3 421.563 3.875 20 0 HHADHM C[C@@H]1C[C@@H](c2noc(-c3ccc(S(=O)(=O)[N-]c4ccccc4F)cc3)n2)CCO1 ZINC000546512054 1009534700 /nfs/dbraw/zinc/53/47/00/1009534700.db2.gz JXXDUGWGLZNBGE-HIFRSBDPSA-N -1 3 417.462 3.959 20 0 HHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCc1nc(-c2ccc(N(C)C)cc2F)no1 ZINC000546533638 1009555581 /nfs/dbraw/zinc/55/55/81/1009555581.db2.gz PDMUHZNCASDXNK-UHFFFAOYSA-N -1 3 420.448 3.593 20 0 HHADHM COc1ccc(NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)cc1NC(C)=O ZINC000520467915 1009576535 /nfs/dbraw/zinc/57/65/35/1009576535.db2.gz UBODUWQTPNEFMY-UHFFFAOYSA-N -1 3 407.430 3.769 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)N3CCC[C@@H](OCC(F)(F)F)C3)cc2)cc(=O)[n-]1 ZINC000520469893 1009578562 /nfs/dbraw/zinc/57/85/62/1009578562.db2.gz WQQUNWFMQQPNAS-OAHLLOKOSA-N -1 3 410.396 3.733 20 0 HHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)N[C@H](C)C[C@@H](C)O)ccc2C)c(C)c1 ZINC000544027680 1009627968 /nfs/dbraw/zinc/62/79/68/1009627968.db2.gz HVPZWFLOJAKBBV-QZTJIDSGSA-N -1 3 418.559 3.610 20 0 HHADHM Cc1cnc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)c(Br)c1 ZINC000544078480 1009684002 /nfs/dbraw/zinc/68/40/02/1009684002.db2.gz JEQZITGWVSULFD-UHFFFAOYSA-N -1 3 407.236 3.597 20 0 HHADHM Cc1ccc(C(=O)CC(C)(C)CC(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000546773846 1009741350 /nfs/dbraw/zinc/74/13/50/1009741350.db2.gz DSLHXYFLBXJEOI-UHFFFAOYSA-N -1 3 402.516 3.994 20 0 HHADHM CCC[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O)c1ccccn1 ZINC000550163616 1009744179 /nfs/dbraw/zinc/74/41/79/1009744179.db2.gz SWRJMOKRHDTTDB-ZDUSSCGKSA-N -1 3 415.437 3.994 20 0 HHADHM O=S(=O)([N-]Cc1nc2ccccc2n1C1CC1)c1csc(-c2ccccc2)n1 ZINC000546783571 1009748333 /nfs/dbraw/zinc/74/83/33/1009748333.db2.gz HBJYZOHVNIBRJT-UHFFFAOYSA-N -1 3 410.524 3.973 20 0 HHADHM COCCC(C)(C)CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000546858450 1009820386 /nfs/dbraw/zinc/82/03/86/1009820386.db2.gz BPJYQUGIQOIZBO-UHFFFAOYSA-N -1 3 422.522 3.727 20 0 HHADHM O=C([N-]c1ncn(C2CCCCC2)n1)c1cn(-c2cccc(C(F)(F)F)c2)nn1 ZINC000544246406 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CC(=O)Nc1ccc([O-])c(C(=O)NC[C@H](OCC2CC2)c2ccc(Cl)cc2)c1 ZINC000552679852 1012687271 /nfs/dbraw/zinc/68/72/71/1012687271.db2.gz UQJSLMSFIQPGDS-FQEVSTJZSA-N -1 3 402.878 3.902 20 0 HHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(Cl)c(C)c2)cc1Cl ZINC000541812544 1012698677 /nfs/dbraw/zinc/69/86/77/1012698677.db2.gz WLMVEOPDABGWBG-UHFFFAOYSA-N -1 3 405.278 3.878 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]c2cc(NC(=O)c3cnoc3C)ccc2Cl)c(C)o1 ZINC000537349467 1012815364 /nfs/dbraw/zinc/81/53/64/1012815364.db2.gz OGLPCYVDNVNFNU-UHFFFAOYSA-N -1 3 409.851 3.899 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)NCC3(C)CCCCCC3)c2)n1 ZINC000537381637 1012858959 /nfs/dbraw/zinc/85/89/59/1012858959.db2.gz IVIVJQBQIMFRML-UHFFFAOYSA-N -1 3 410.518 3.827 20 0 HHADHM COc1cccc([C@H]2[C@@H](C(=O)Nc3cc(Cl)ccc3[O-])CC(=O)N2C2CC2)c1 ZINC000537387028 1012866108 /nfs/dbraw/zinc/86/61/08/1012866108.db2.gz XHOFOAHSZSLIRV-JXFKEZNVSA-N -1 3 400.862 3.745 20 0 HHADHM Fc1ccc(-n2cc(C[N-]c3nnc([C@H]4Cc5ccccc5O4)o3)nn2)cc1Cl ZINC000542090043 1013013009 /nfs/dbraw/zinc/01/30/09/1013013009.db2.gz ASUWZTPCCYBPRY-QGZVFWFLSA-N -1 3 412.812 3.731 20 0 HHADHM O=C([N-]c1cccc(Cl)c1F)c1sccc1S(=O)(=O)N1CCSCC1 ZINC000553050358 1013024799 /nfs/dbraw/zinc/02/47/99/1013024799.db2.gz KUKOARQPRDGFIH-UHFFFAOYSA-N -1 3 420.940 3.530 20 0 HHADHM O=c1ccc2cc(S(=O)(=O)[N-]c3ccc(OCc4ccncc4)cc3)ccc2o1 ZINC000729665309 1071776532 /nfs/dbraw/zinc/77/65/32/1071776532.db2.gz IBAYRHUETODTNF-UHFFFAOYSA-N -1 3 408.435 3.568 20 0 HHADHM CC(=O)Nc1ccc(C)c(C(=O)Nc2cc(I)ccc2[O-])c1 ZINC000614860186 1071784063 /nfs/dbraw/zinc/78/40/63/1071784063.db2.gz FFZITSFKYXGGNY-UHFFFAOYSA-N -1 3 410.211 3.516 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]CCc2cnc(SC3CCCC3)nc2)c(F)c1F ZINC001211996727 1071861720 /nfs/dbraw/zinc/86/17/20/1071861720.db2.gz VQQCVZUGHLVNKJ-UHFFFAOYSA-N -1 3 413.515 3.619 20 0 HHADHM CSCC[C@@H]([N-]S(=O)(=O)c1ccccc1)c1nc(Cc2cccc(F)c2)no1 ZINC000904731796 1071871477 /nfs/dbraw/zinc/87/14/77/1071871477.db2.gz KEIFOYLNYATBSH-QGZVFWFLSA-N -1 3 421.519 3.572 20 0 HHADHM CC(C)(C)Nc1cc(F)c(S(=O)(=O)[N-]CC(F)(F)c2ccccc2)cc1N ZINC001212042356 1071926148 /nfs/dbraw/zinc/92/61/48/1071926148.db2.gz DVHXREXCPVEKKM-UHFFFAOYSA-N -1 3 401.454 3.689 20 0 HHADHM CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)cc1 ZINC000783806981 1071957154 /nfs/dbraw/zinc/95/71/54/1071957154.db2.gz JOBGGLPSCGNICJ-UHFFFAOYSA-N -1 3 400.403 3.700 20 0 HHADHM CCOCCN(CC)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C ZINC000488247055 1072162835 /nfs/dbraw/zinc/16/28/35/1072162835.db2.gz GHNAWXSKPCRSLB-UHFFFAOYSA-N -1 3 404.532 3.603 20 0 HHADHM O=C([N-]N1C(=O)c2ccccc2C1=O)c1ccccc1OCc1ccccc1Cl ZINC000912688722 1072264265 /nfs/dbraw/zinc/26/42/65/1072264265.db2.gz MXIIZFORYWOMJT-UHFFFAOYSA-N -1 3 406.825 3.860 20 0 HHADHM Cc1ccc(N2C(=O)c3ccccc3C(=CNc3cccc(-c4nnn[n-]4)c3)C2=O)cc1 ZINC000912745129 1072274817 /nfs/dbraw/zinc/27/48/17/1072274817.db2.gz ATPXONCNADYGQU-STZFKDTASA-N -1 3 422.448 3.815 20 0 HHADHM Cc1ccc(N2C(=O)c3ccccc3C(=CNc3cccc(-c4nn[n-]n4)c3)C2=O)cc1 ZINC000912745129 1072274825 /nfs/dbraw/zinc/27/48/25/1072274825.db2.gz ATPXONCNADYGQU-STZFKDTASA-N -1 3 422.448 3.815 20 0 HHADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl)c1nc(-c2ccccc2)no1 ZINC000760395725 1072318842 /nfs/dbraw/zinc/31/88/42/1072318842.db2.gz JQHNKMMFDBRSIZ-JTQLQIEISA-N -1 3 413.286 3.520 20 0 HHADHM CC(C)C[N-]S(=O)(=O)c1cc(C(=O)N2CCCC[C@@H]2C)c(Cl)cc1Cl ZINC000913419068 1072391387 /nfs/dbraw/zinc/39/13/87/1072391387.db2.gz KPTVQULJJLKGPP-LBPRGKRZSA-N -1 3 407.363 3.942 20 0 HHADHM CC(C)(C)CC(=O)N1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000586750304 1072414897 /nfs/dbraw/zinc/41/48/97/1072414897.db2.gz ICCDVEDOOKKXLX-UHFFFAOYSA-N -1 3 408.542 3.898 20 0 HHADHM CN(Cc1nnc2n1CCCCC2)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000586748794 1072414932 /nfs/dbraw/zinc/41/49/32/1072414932.db2.gz DLEGJUHZYHFCMM-UHFFFAOYSA-N -1 3 404.514 3.768 20 0 HHADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)CCCc2cc(-c3ccc(F)cc3)no2)c1 ZINC000586762640 1072422247 /nfs/dbraw/zinc/42/22/47/1072422247.db2.gz KFPXGRZVPDUGSV-UHFFFAOYSA-N -1 3 411.433 3.850 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CC2(CCC2)c2c1cccc2F ZINC000586825439 1072463854 /nfs/dbraw/zinc/46/38/54/1072463854.db2.gz JCTRHEOHCFQBQY-UHFFFAOYSA-N -1 3 418.472 3.681 20 0 HHADHM CCCCC1CCC(NC(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)CC1 ZINC000729843914 1072506549 /nfs/dbraw/zinc/50/65/49/1072506549.db2.gz MHZAWCZMKUZVRE-UHFFFAOYSA-N -1 3 414.518 3.884 20 0 HHADHM CCC[C@@H](Cc1ccccc1)NC(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000729843765 1072507169 /nfs/dbraw/zinc/50/71/69/1072507169.db2.gz GIBCMMHOHMBCOB-INIZCTEOSA-N -1 3 422.497 3.547 20 0 HHADHM COC(=O)c1sc2[n-]c(CN[C@@H](C)c3nc(C(C)(C)C)cs3)nc(=O)c2c1C ZINC000571686898 1072696799 /nfs/dbraw/zinc/69/67/99/1072696799.db2.gz MAHTUSLYOFSJAP-JTQLQIEISA-N -1 3 420.560 3.684 20 0 HHADHM CCC[C@@H](C)N1Cc2cccc([N-]S(=O)(=O)c3ccc(N(C)C(C)=O)cc3)c2C1 ZINC000479145433 1072766682 /nfs/dbraw/zinc/76/66/82/1072766682.db2.gz BMLMCAFPKMBIAM-MRXNPFEDSA-N -1 3 415.559 3.974 20 0 HHADHM CCOC(=O)c1sc2[n-]c([C@H](C)Sc3nnc(C(C)C)n3C)nc(=O)c2c1C ZINC000554864914 1072909683 /nfs/dbraw/zinc/90/96/83/1072909683.db2.gz FHLAXZNQAYZBTA-JTQLQIEISA-N -1 3 421.548 3.575 20 0 HHADHM CCOC(=O)c1nnc([N-]C(=O)c2cc(F)c(Br)c(Cl)c2)s1 ZINC000588677822 1073160261 /nfs/dbraw/zinc/16/02/61/1073160261.db2.gz YVEYSTGAVQHBFT-UHFFFAOYSA-N -1 3 408.636 3.522 20 0 HHADHM CCCCN(C)C(=O)c1ccccc1S(=O)(=O)[N-]CC(F)(F)c1ccccc1 ZINC000572290625 1073232951 /nfs/dbraw/zinc/23/29/51/1073232951.db2.gz APWZFOFHMMQOFW-UHFFFAOYSA-N -1 3 410.486 3.629 20 0 HHADHM CC(C)[C@H]([N-]S(=O)(=O)Cc1ccc(C(F)F)cc1)c1nc(-c2cccnc2)no1 ZINC000555297813 1073328603 /nfs/dbraw/zinc/32/86/03/1073328603.db2.gz VCUIGTFHHRTIQV-INIZCTEOSA-N -1 3 422.457 3.886 20 0 HHADHM CCc1ccc([O-])c(C(=O)N2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)c1 ZINC000588926902 1073345596 /nfs/dbraw/zinc/34/55/96/1073345596.db2.gz RJIQEQSLEDFMDO-UHFFFAOYSA-N -1 3 401.894 3.988 20 0 HHADHM CCCCN(C(=O)C[C@@H](C)[N-]S(=O)(=O)c1cccnc1Cl)c1ccccc1 ZINC000760717335 1073364092 /nfs/dbraw/zinc/36/40/92/1073364092.db2.gz XLKCSGSHQWJKFC-OAHLLOKOSA-N -1 3 409.939 3.625 20 0 HHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)N[C@H]2CC3CCC2CC3)CC1 ZINC000555364892 1073374199 /nfs/dbraw/zinc/37/41/99/1073374199.db2.gz BBZCMHSRAVAELT-KVULBXGLSA-N -1 3 405.926 3.984 20 0 HHADHM CC[C@@H](Sc1ccccc1)C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000600032315 1073419853 /nfs/dbraw/zinc/41/98/53/1073419853.db2.gz AJMYAPNXWLYLSN-GOSISDBHSA-N -1 3 408.545 3.966 20 0 HHADHM C[C@H](NC(=O)c1c[n-]c2ccc(Br)cc2c1=O)c1nc2ccccc2[nH]1 ZINC001142630785 1073430968 /nfs/dbraw/zinc/43/09/68/1073430968.db2.gz AZMOWBQAZKNGIT-JTQLQIEISA-N -1 3 411.259 3.658 20 0 HHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CCc1cc(C(F)(F)F)ccn1 ZINC000555412883 1073436350 /nfs/dbraw/zinc/43/63/50/1073436350.db2.gz RZXXUSPESDHWHV-UHFFFAOYSA-N -1 3 402.369 3.815 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)NCc3noc(-c4cccs4)n3)cc2)cc(=O)[n-]1 ZINC000555433054 1073462391 /nfs/dbraw/zinc/46/23/91/1073462391.db2.gz TUUHIOMENYGPPQ-UHFFFAOYSA-N -1 3 408.443 3.591 20 0 HHADHM CCOc1cc(Br)c(NC(=O)c2ccc(C(=O)OC)[n-]2)cc1OCC ZINC000590108189 1073556266 /nfs/dbraw/zinc/55/62/66/1073556266.db2.gz IFZZPWIVLCWNJZ-UHFFFAOYSA-N -1 3 411.252 3.614 20 0 HHADHM Cc1ccnc(NC(=O)CN(C)C(=O)c2cc(CCc3ccccc3)ccc2[O-])c1 ZINC000590109381 1073557226 /nfs/dbraw/zinc/55/72/26/1073557226.db2.gz GEKVVHXYXLYIDK-UHFFFAOYSA-N -1 3 403.482 3.592 20 0 HHADHM COc1cc2c(cc1F)[n-]cc(C(=O)Nc1cccc(C(=O)N3CCCCC3)c1)c2=O ZINC000555546507 1073605152 /nfs/dbraw/zinc/60/51/52/1073605152.db2.gz XJKYHXNKKRJHCE-UHFFFAOYSA-N -1 3 423.444 3.554 20 0 HHADHM COc1cccc2c1OC[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl)C2 ZINC000590611017 1073938177 /nfs/dbraw/zinc/93/81/77/1073938177.db2.gz QCUSHFIDCBSOLK-LBPRGKRZSA-N -1 3 402.299 3.592 20 0 HHADHM O=S(=O)([N-]CCNc1ccccc1)c1ccc(Br)cc1C(F)(F)F ZINC000760594898 1074137229 /nfs/dbraw/zinc/13/72/29/1074137229.db2.gz DZFCYNHBIDIBGS-UHFFFAOYSA-N -1 3 423.254 3.858 20 0 HHADHM CCSc1cccc(NC(=O)C[C@@H](C)[N-]S(=O)(=O)c2cccnc2Cl)c1 ZINC000760596910 1074142946 /nfs/dbraw/zinc/14/29/46/1074142946.db2.gz QLMWIXAPIDRXQG-GFCCVEGCSA-N -1 3 413.952 3.543 20 0 HHADHM CC(C)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000591177551 1074144449 /nfs/dbraw/zinc/14/44/49/1074144449.db2.gz KSMOZLNJQUFTBG-IBGZPJMESA-N -1 3 420.517 3.557 20 0 HHADHM CC(C)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000591177551 1074144452 /nfs/dbraw/zinc/14/44/52/1074144452.db2.gz KSMOZLNJQUFTBG-IBGZPJMESA-N -1 3 420.517 3.557 20 0 HHADHM O=C(COC(=O)c1ccc(I)c([O-])c1)c1cc2ccccc2o1 ZINC000760815667 1074217694 /nfs/dbraw/zinc/21/76/94/1074217694.db2.gz FSDXARJFIITVLI-UHFFFAOYSA-N -1 3 422.174 3.783 20 0 HHADHM CC(C)c1ccc(C(C)(C)NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000591300908 1074220625 /nfs/dbraw/zinc/22/06/25/1074220625.db2.gz QBPQUFPLFIJURB-UHFFFAOYSA-N -1 3 414.980 3.855 20 0 HHADHM CC[C@@H](C)[C@H](C)N(C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)C1CC1 ZINC000591318749 1074245352 /nfs/dbraw/zinc/24/53/52/1074245352.db2.gz ISOSMDIXEYMCHD-KGLIPLIRSA-N -1 3 407.511 3.994 20 0 HHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CCCSc2ccccc2)cc1Cl ZINC000591386499 1074262138 /nfs/dbraw/zinc/26/21/38/1074262138.db2.gz ASVCYSVLZHASIQ-UHFFFAOYSA-N -1 3 416.927 3.898 20 0 HHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)c1cccc(OC(F)F)c1 ZINC000591366915 1074267374 /nfs/dbraw/zinc/26/73/74/1074267374.db2.gz NSASJIGORTZKTO-UHFFFAOYSA-N -1 3 424.347 3.931 20 0 HHADHM Cc1ccc(C)c(CC(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)c1 ZINC000591368090 1074268402 /nfs/dbraw/zinc/26/84/02/1074268402.db2.gz RWHMVPKANMAYLD-UHFFFAOYSA-N -1 3 400.422 3.875 20 0 HHADHM CC(C)(CNC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1c(Cl)cccc1Cl ZINC000591402601 1074295089 /nfs/dbraw/zinc/29/50/89/1074295089.db2.gz DXQZTBGUKYYYTO-UHFFFAOYSA-N -1 3 406.269 3.976 20 0 HHADHM C[C@@]1(C[N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)OCCc2sccc21 ZINC000573369352 1074359659 /nfs/dbraw/zinc/35/96/59/1074359659.db2.gz BDOFSOHKICUJGB-INIZCTEOSA-N -1 3 406.356 3.962 20 0 HHADHM CC(C)(C)OC(=O)Nc1cccc(CN2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000760864227 1074457194 /nfs/dbraw/zinc/45/71/94/1074457194.db2.gz WSAPQCDNLHJAQM-UHFFFAOYSA-N -1 3 411.502 3.697 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2ccc(F)c(C)c2)c1 ZINC000591797432 1074545396 /nfs/dbraw/zinc/54/53/96/1074545396.db2.gz PSGFXLLKONAVEC-UHFFFAOYSA-N -1 3 407.398 3.623 20 0 HHADHM COCC[C@H](C)C[N-]S(=O)(=O)c1csnc1-c1cccc(C(F)(F)F)c1 ZINC001212169491 1074565312 /nfs/dbraw/zinc/56/53/12/1074565312.db2.gz UMHWOXPPHVMOML-NSHDSACASA-N -1 3 408.467 3.780 20 0 HHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NCc3c(C)cccc3F)cs2)c1 ZINC000760896511 1074612295 /nfs/dbraw/zinc/61/22/95/1074612295.db2.gz FYWFMUDZLGYWPX-UHFFFAOYSA-N -1 3 413.474 3.716 20 0 HHADHM COc1ccc(Br)cc1[C@H](NCc1cccc(-n2cccn2)c1)C(=O)[O-] ZINC000573778886 1074653166 /nfs/dbraw/zinc/65/31/66/1074653166.db2.gz MWGCZAAEZWMWCR-SFHVURJKSA-N -1 3 416.275 3.559 20 0 HHADHM Cn1c2cc([O-])c(NC(=O)Cc3coc4ccc5ccccc5c34)cc2n(C)c1=O ZINC000573857904 1074667237 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C[C@H]1CCCC[C@@H]1N(C)C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000031380156 965999265 /nfs/dbraw/zinc/99/92/65/965999265.db2.gz NKSBOPYXEKVLAK-WFASDCNBSA-N -1 3 407.363 3.699 20 0 HHADHM Cc1ccc2c(c1)CC[C@H]2NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000055661012 966005683 /nfs/dbraw/zinc/00/56/83/966005683.db2.gz GIXQHTQFGGFTOP-GOSISDBHSA-N -1 3 413.474 3.680 20 0 HHADHM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1C ZINC000055668581 966008536 /nfs/dbraw/zinc/00/85/36/966008536.db2.gz KYIFMQRHAFMUOA-UHFFFAOYSA-N -1 3 404.513 3.711 20 0 HHADHM COc1ccccc1-c1n[n-]c(NC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)n1 ZINC000059403675 966021920 /nfs/dbraw/zinc/02/19/20/966021920.db2.gz HSRKPUQVXOZDNX-MRXNPFEDSA-N -1 3 414.465 3.975 20 0 HHADHM O=C(Nc1cc(Cl)ccc1[O-])c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000060093501 966061054 /nfs/dbraw/zinc/06/10/54/966061054.db2.gz DBERYRVHZRNFCN-UHFFFAOYSA-N -1 3 408.907 3.863 20 0 HHADHM COc1ccccc1OCC(=O)Nc1cccc(NC(=O)c2ccc(C)cc2[O-])c1 ZINC000055772236 966063723 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419.522 3.755 20 0 HHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000032246123 966205244 /nfs/dbraw/zinc/20/52/44/966205244.db2.gz MRJLMNTUVSBCGV-CQSZACIVSA-N -1 3 417.469 3.712 20 0 HHADHM COc1cc(F)c(S(=O)(=O)[N-][C@H](CC(F)(F)F)c2ccccc2)cc1OC ZINC000056127897 966225197 /nfs/dbraw/zinc/22/51/97/966225197.db2.gz MMMRBGZUWVRMEA-CYBMUJFWSA-N -1 3 407.385 3.815 20 0 HHADHM CCOc1ccc(CC[N-]S(=O)(=O)c2cccc(Cl)c2F)cc1OCC ZINC000032402687 966242690 /nfs/dbraw/zinc/24/26/90/966242690.db2.gz AMLQWLCIOHJIJQ-UHFFFAOYSA-N -1 3 401.887 3.798 20 0 HHADHM Cc1nn(-c2ccccc2)cc1CCC[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000032435530 966252957 /nfs/dbraw/zinc/25/29/57/966252957.db2.gz RFPLNGWUQBOLIL-UHFFFAOYSA-N -1 3 407.898 3.884 20 0 HHADHM Cc1nc(C)c(CCC(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)c(=O)[n-]1 ZINC000060684432 966256583 /nfs/dbraw/zinc/25/65/83/966256583.db2.gz PFMPVGKIKDNRAW-UHFFFAOYSA-N -1 3 414.481 3.616 20 0 HHADHM Cc1ccc(C)n1-c1sccc1C(=O)N[N-]C(=O)c1ccccc1Br ZINC000060775251 966284687 /nfs/dbraw/zinc/28/46/87/966284687.db2.gz RLGGYYKGPMPNBT-UHFFFAOYSA-N -1 3 418.316 3.993 20 0 HHADHM COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)c1 ZINC000032589907 966288420 /nfs/dbraw/zinc/28/84/20/966288420.db2.gz NIDKVZHOKLJIRA-UHFFFAOYSA-N -1 3 409.769 3.668 20 0 HHADHM Cc1cc([N-]S(=O)(=O)c2ccc(OC(C)C)c3ccccc32)ccc1-n1cnnn1 ZINC000032591103 966289400 /nfs/dbraw/zinc/28/94/00/966289400.db2.gz PSTXWKYYXLTEOP-UHFFFAOYSA-N -1 3 423.498 3.712 20 0 HHADHM COc1cc[n-]c(=NNC(=O)c2cccnc2Nc2ccc(Cl)c(Cl)c2)n1 ZINC000056393932 966323982 /nfs/dbraw/zinc/32/39/82/966323982.db2.gz RELPYNJIKNVNIZ-UHFFFAOYSA-N -1 3 405.245 3.688 20 0 HHADHM COc1cc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)ccc1OC1CCCC1 ZINC000056409750 966330052 /nfs/dbraw/zinc/33/00/52/966330052.db2.gz NNLJLBUOPCSWON-UHFFFAOYSA-N -1 3 404.488 3.640 20 0 HHADHM O=C(NCc1ccco1)Nc1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1 ZINC000032938355 966349125 /nfs/dbraw/zinc/34/91/25/966349125.db2.gz QHWURIUIRRVASL-UHFFFAOYSA-N -1 3 402.410 3.695 20 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418.497 3.978 20 0 HHADHM CN(Cc1cccc(O)c1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000117675053 969962872 /nfs/dbraw/zinc/96/28/72/969962872.db2.gz HFQZTIRMFCORJA-UHFFFAOYSA-N -1 3 414.458 3.604 20 0 HHADHM COCCOC(=O)c1sc2[n-]c(C(Cl)=Cc3ccccc3)nc(=O)c2c1C ZINC000229903192 970133348 /nfs/dbraw/zinc/13/33/48/970133348.db2.gz XSLRBUWFPYMUBL-JLHYYAGUSA-N -1 3 404.875 3.833 20 0 HHADHM O=S(=O)([N-]c1ccc(Cl)cc1I)c1ccccc1F ZINC000230176235 970135060 /nfs/dbraw/zinc/13/50/60/970135060.db2.gz CEPSEIHRRJZVEC-UHFFFAOYSA-N -1 3 411.623 3.885 20 0 HHADHM CCN(C[C@@H]1CCCO1)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C ZINC000142325757 970151872 /nfs/dbraw/zinc/15/18/72/970151872.db2.gz PJOJJLDYDPKNFC-IBGZPJMESA-N -1 3 416.543 3.745 20 0 HHADHM COc1ccc(C)cc1-n1ccc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)n1 ZINC000143122031 970182842 /nfs/dbraw/zinc/18/28/42/970182842.db2.gz IKLCZLBIILTXSH-AWEZNQCLSA-N -1 3 408.845 3.804 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@@H](C)c2ccccc2Cl)cc1OC ZINC000143725096 970206457 /nfs/dbraw/zinc/20/64/57/970206457.db2.gz RJTYTIYJEWPHNB-LBPRGKRZSA-N -1 3 411.911 3.993 20 0 HHADHM CN(C)CCN(CC(=O)[O-])C(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl ZINC000237148500 970231828 /nfs/dbraw/zinc/23/18/28/970231828.db2.gz VMFPPYQFYVQKKO-UHFFFAOYSA-N -1 3 408.829 3.662 20 0 HHADHM CC[C@H](CNC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1)c1ccccc1 ZINC000144782068 970241888 /nfs/dbraw/zinc/24/18/88/970241888.db2.gz YJZVGWKVOCAURS-OAHLLOKOSA-N -1 3 405.520 3.772 20 0 HHADHM CC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)C(=O)OC(C)(C)C ZINC000554678131 1014009393 /nfs/dbraw/zinc/00/93/93/1014009393.db2.gz ZKKVDLFMIWNLQO-LLVKDONJSA-N -1 3 412.733 3.501 20 0 HHADHM COC(=O)C(C)(C)CS(=O)(=O)[N-]c1cccc(Oc2ccnc3ccccc32)c1 ZINC000554687094 1014013142 /nfs/dbraw/zinc/01/31/42/1014013142.db2.gz FHTSKSIQDYJYDN-UHFFFAOYSA-N -1 3 414.483 3.968 20 0 HHADHM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(Oc4cccnc4)cc3)cc2C[C@H]1C ZINC000554690128 1014013982 /nfs/dbraw/zinc/01/39/82/1014013982.db2.gz PLEGEQXPZROXLJ-OAHLLOKOSA-N -1 3 423.494 3.972 20 0 HHADHM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cc(C[S@@](C)=O)ccc2Cl)c1 ZINC000554736922 1014034786 /nfs/dbraw/zinc/03/47/86/1014034786.db2.gz MZUPOLPKNOXMAP-RUZDIDTESA-N -1 3 408.932 3.876 20 0 HHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1ccc(Br)cc1Br ZINC000318566868 972663887 /nfs/dbraw/zinc/66/38/87/972663887.db2.gz BKWQFLQWWTWPIZ-UHFFFAOYSA-N -1 3 423.068 3.644 20 0 HHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1ccc(Br)cc1Br ZINC000318566868 972663894 /nfs/dbraw/zinc/66/38/94/972663894.db2.gz BKWQFLQWWTWPIZ-UHFFFAOYSA-N -1 3 423.068 3.644 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]c2ccc(Br)cc2F)cc([N+](=O)[O-])c1F ZINC000321758019 972694887 /nfs/dbraw/zinc/69/48/87/972694887.db2.gz NCPOKFYPXVUUBQ-UHFFFAOYSA-N -1 3 407.192 3.745 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]CCCn2cnc3ccccc32)sc1Br ZINC000322168102 972697783 /nfs/dbraw/zinc/69/77/83/972697783.db2.gz CHOQBWOJKAYZLK-UHFFFAOYSA-N -1 3 414.350 3.537 20 0 HHADHM Cc1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc2nccnc2c1Br ZINC000323601232 972712247 /nfs/dbraw/zinc/71/22/47/972712247.db2.gz HUILAAXEEDJQNA-UHFFFAOYSA-N -1 3 413.684 3.550 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(Br)o2)sc1Br ZINC000378931860 972769601 /nfs/dbraw/zinc/76/96/01/972769601.db2.gz XGMPCXDEJVMJGR-UHFFFAOYSA-N -1 3 415.128 3.653 20 0 HHADHM O=S(=O)([N-]CC1CC(F)(F)C1)c1ccc(Br)cc1Br ZINC000383280587 972790113 /nfs/dbraw/zinc/79/01/13/972790113.db2.gz PATHWALZKMNTOU-UHFFFAOYSA-N -1 3 419.085 3.535 20 0 HHADHM CCCc1noc2nc(CC)cc(C(=O)Nc3nc4c(cccc4C(=O)OC)[n-]3)c12 ZINC000409998401 973473933 /nfs/dbraw/zinc/47/39/33/973473933.db2.gz LDPKUSXIUNKDLH-UHFFFAOYSA-N -1 3 407.430 3.653 20 0 HHADHM CCOC(=O)c1nc(C2CCN(C(=O)[C@@H](C)c3ccc(C(F)(F)F)cc3)CC2)n[n-]1 ZINC000409998469 973474054 /nfs/dbraw/zinc/47/40/54/973474054.db2.gz MIBIAXUMTHQIRT-LBPRGKRZSA-N -1 3 424.423 3.510 20 0 HHADHM CCOC(=O)c1nnc(C2CCN(C(=O)[C@@H](C)c3ccc(C(F)(F)F)cc3)CC2)[n-]1 ZINC000409998469 973474060 /nfs/dbraw/zinc/47/40/60/973474060.db2.gz MIBIAXUMTHQIRT-LBPRGKRZSA-N -1 3 424.423 3.510 20 0 HHADHM CCOc1cccc(S(=O)(=O)[N-]c2cccc(CN3CCSCC3)c2C)c1 ZINC000410330743 973903617 /nfs/dbraw/zinc/90/36/17/973903617.db2.gz ZOFVJYSIUGXHSK-UHFFFAOYSA-N -1 3 406.573 3.743 20 0 HHADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(F)F)ccc2Cl)cc1OC ZINC000410386446 973984385 /nfs/dbraw/zinc/98/43/85/973984385.db2.gz XWMQTVMZEZPAOG-UHFFFAOYSA-N -1 3 405.806 3.874 20 0 HHADHM Cc1nc(C)c(CCC(=O)N2CCC(c3ccc(Br)cc3)CC2)c(=O)[n-]1 ZINC000410393352 973992025 /nfs/dbraw/zinc/99/20/25/973992025.db2.gz VXYVZURSJKNZOR-UHFFFAOYSA-N -1 3 418.335 3.900 20 0 HHADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCN(C)C3=O)cc2C)cc1CC ZINC000410407425 974006669 /nfs/dbraw/zinc/00/66/69/974006669.db2.gz KXGQTFLUEIUPIJ-OAQYLSRUSA-N -1 3 416.543 3.530 20 0 HHADHM Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1[N-]S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000410409245 974008054 /nfs/dbraw/zinc/00/80/54/974008054.db2.gz RIOZCVSIRROVOQ-HXUWFJFHSA-N -1 3 402.516 3.529 20 0 HHADHM Nc1nc(C2CCCC2)ncc1-c1noc(C(=O)[N-]c2ccc(Cl)c(F)c2)n1 ZINC000426192520 974301650 /nfs/dbraw/zinc/30/16/50/974301650.db2.gz BGUXFUCNVDJDSJ-UHFFFAOYSA-N -1 3 402.817 3.811 20 0 HHADHM COC(=O)c1ccc(-c2nc(Cc3c[nH]c4cccc(Br)c34)no2)[n-]1 ZINC000426458576 974463570 /nfs/dbraw/zinc/46/35/70/974463570.db2.gz IGDDCZZLIMNAPU-UHFFFAOYSA-N -1 3 401.220 3.686 20 0 HHADHM Cc1cncc(CCc2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)c1 ZINC000426606070 974559146 /nfs/dbraw/zinc/55/91/46/974559146.db2.gz SXHQLEGYTSZPCE-UHFFFAOYSA-N -1 3 411.263 3.773 20 0 HHADHM COc1cc(C[NH2+]CC[C@H](Cc2ccccc2)C(=O)[O-])cc(Br)c1[O-] ZINC000426630019 974571705 /nfs/dbraw/zinc/57/17/05/974571705.db2.gz SNSOKSSYVYUSGA-OAHLLOKOSA-N -1 3 408.292 3.587 20 0 HHADHM O=C([O-])[C@H](CNCc1cc2ccccc2nc1N1CCCCC1)Oc1ccc(F)cc1 ZINC000426630008 974571846 /nfs/dbraw/zinc/57/18/46/974571846.db2.gz SMWXEHRDXLBZPP-QFIPXVFZSA-N -1 3 423.488 3.986 20 0 HHADHM O=C([O-])[C@@H](CNCc1cc(Br)c(Cl)s1)Oc1ccc(F)cc1 ZINC000426653842 974584381 /nfs/dbraw/zinc/58/43/81/974584381.db2.gz GDGAKXUPUICGBF-GFCCVEGCSA-N -1 3 408.676 3.925 20 0 HHADHM O=C([O-])[C@H](CNCc1cn(-c2ccc(F)c(Cl)c2)nn1)Cc1ccc(Cl)cc1 ZINC000426707976 974608464 /nfs/dbraw/zinc/60/84/64/974608464.db2.gz FNNZDIFTXHLDCD-ZDUSSCGKSA-N -1 3 423.275 3.746 20 0 HHADHM O=C([O-])[C@@H](CNCc1cn(-c2ccc(F)cc2Cl)nn1)Cc1ccc(Cl)cc1 ZINC000426709187 974609217 /nfs/dbraw/zinc/60/92/17/974609217.db2.gz PXNOZKYXYBEBNB-CYBMUJFWSA-N -1 3 423.275 3.746 20 0 HHADHM COc1ccc(CN[C@@H](Cc2cccc(Cl)c2)C(=O)[O-])c(Br)c1O ZINC000426743216 974629050 /nfs/dbraw/zinc/62/90/50/974629050.db2.gz NHMCDUTYXVBAOQ-ZDUSSCGKSA-N -1 3 414.683 3.602 20 0 HHADHM O=C([O-])[C@@H](NCc1cc(Br)c2c(c1)OCCO2)c1cccc(Cl)c1 ZINC000426748082 974633505 /nfs/dbraw/zinc/63/35/05/974633505.db2.gz URLJEIMPRCHYII-HNNXBMFYSA-N -1 3 412.667 3.789 20 0 HHADHM Cc1c(F)cccc1-c1ccc(CN[C@H](Cn2ccc(C(F)(F)F)n2)C(=O)[O-])o1 ZINC000426762153 974641219 /nfs/dbraw/zinc/64/12/19/974641219.db2.gz HUCWUHRNJSNKPC-OAHLLOKOSA-N -1 3 411.355 3.852 20 0 HHADHM O=C([O-])[C@@H](NCc1cc(Cl)c2c(c1)OCCO2)c1ccc(Br)cc1 ZINC000426804585 974672594 /nfs/dbraw/zinc/67/25/94/974672594.db2.gz UYLSSFVJEJIIJG-HNNXBMFYSA-N -1 3 412.667 3.789 20 0 HHADHM O=C([O-])[C@H](NCc1ccc(Oc2cnccn2)cc1)c1ccc(Br)cc1 ZINC000426804770 974673284 /nfs/dbraw/zinc/67/32/84/974673284.db2.gz WOXPODYJVHOTIO-GOSISDBHSA-N -1 3 414.259 3.947 20 0 HHADHM CCOc1c(Br)cc(CN[C@H](C(=O)[O-])c2cccs2)cc1OC ZINC000426805451 974674366 /nfs/dbraw/zinc/67/43/66/974674366.db2.gz BNRCXZPCZRMKQE-AWEZNQCLSA-N -1 3 400.294 3.833 20 0 HHADHM Cc1cnc([C@H](C)NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)s1 ZINC000427050536 974857633 /nfs/dbraw/zinc/85/76/33/974857633.db2.gz ZPGIDNXJMIMORS-ZDUSSCGKSA-N -1 3 419.503 3.882 20 0 HHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)[C@H](c1ccccc1)N1CCc2ccccc21 ZINC000427066823 974872370 /nfs/dbraw/zinc/87/23/70/974872370.db2.gz IPZZWBNTMXNZAB-QHCPKHFHSA-N -1 3 410.481 3.533 20 0 HHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)[C@H](c1ccccc1)N1CCc2ccccc21 ZINC000427066823 974872375 /nfs/dbraw/zinc/87/23/75/974872375.db2.gz IPZZWBNTMXNZAB-QHCPKHFHSA-N -1 3 410.481 3.533 20 0 HHADHM C[C@H](Sc1ccc(Br)cc1)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000427088252 974893267 /nfs/dbraw/zinc/89/32/67/974893267.db2.gz IPORWEYHBHQQMZ-NSHDSACASA-N -1 3 418.320 3.672 20 0 HHADHM C[C@H](Sc1ccc(Br)cc1)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000427088252 974893271 /nfs/dbraw/zinc/89/32/71/974893271.db2.gz IPORWEYHBHQQMZ-NSHDSACASA-N -1 3 418.320 3.672 20 0 HHADHM O=C(Nc1cccn(CC(F)(F)F)c1=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000427148881 974941333 /nfs/dbraw/zinc/94/13/33/974941333.db2.gz ARQGWGSVUHATIU-UHFFFAOYSA-N -1 3 402.785 3.768 20 0 HHADHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)c(Cl)c1)c1ccncn1 ZINC000427500519 975148930 /nfs/dbraw/zinc/14/89/30/975148930.db2.gz WVBFFXDOSXFFPL-UHFFFAOYSA-N -1 3 423.281 3.837 20 0 HHADHM Cc1nc(C)c(CCC(=O)N(Cc2cccc(-c3cccnc3)c2)C2CC2)c(=O)[n-]1 ZINC000427602785 975207896 /nfs/dbraw/zinc/20/78/96/975207896.db2.gz HQIZCFGFCBDTIC-UHFFFAOYSA-N -1 3 402.498 3.985 20 0 HHADHM COCc1cccc(S(=O)(=O)[N-]c2ccnc(N3CCc4ccccc4C3)c2)c1 ZINC000427645207 975222772 /nfs/dbraw/zinc/22/27/72/975222772.db2.gz MJIQHURBCPUQNR-UHFFFAOYSA-N -1 3 409.511 3.592 20 0 HHADHM CCOc1cccc(S(=O)(=O)[N-]c2ccnc(N3CCc4ccccc4C3)c2)c1 ZINC000427648095 975223402 /nfs/dbraw/zinc/22/34/02/975223402.db2.gz YGLPZZIYOZGILU-UHFFFAOYSA-N -1 3 409.511 3.844 20 0 HHADHM Cc1ccc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)c(CN(C)C)c1 ZINC000427786647 975288007 /nfs/dbraw/zinc/28/80/07/975288007.db2.gz RYLVVPVETVNSDM-UHFFFAOYSA-N -1 3 406.401 3.895 20 0 HHADHM Cc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)C[C@H](C)c3ccccc3)n2)cc1F ZINC000427790319 975290044 /nfs/dbraw/zinc/29/00/44/975290044.db2.gz RPDPOHRXYYQMAZ-LSDHHAIUSA-N -1 3 403.479 3.968 20 0 HHADHM CCC(CC)(C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C)c1ccc(Cl)cc1 ZINC000427993056 975379184 /nfs/dbraw/zinc/37/91/84/975379184.db2.gz NVJOFOWYGDMGPZ-UHFFFAOYSA-N -1 3 401.894 3.933 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CC[C@H]4CCC[C@@H]43)c2)cc1 ZINC000428538237 975838430 /nfs/dbraw/zinc/83/84/30/975838430.db2.gz WXGUONMXOMXASP-IERDGZPVSA-N -1 3 414.527 3.819 20 0 HHADHM O=C(CSc1ccc(C(F)(F)F)cn1)NCc1ccc([O-])c(Br)c1 ZINC000428863346 976152919 /nfs/dbraw/zinc/15/29/19/976152919.db2.gz QNZGWFRYNTTXKK-UHFFFAOYSA-N -1 3 421.238 3.977 20 0 HHADHM CN(C(=O)NCc1ccc([O-])c(F)c1)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000429440487 976718936 /nfs/dbraw/zinc/71/89/36/976718936.db2.gz CJIJNIMXCYRSRB-LJQANCHMSA-N -1 3 400.841 3.906 20 0 HHADHM CC1(C)[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Br)[C@@H]2CCCO[C@H]21 ZINC000429825319 977095460 /nfs/dbraw/zinc/09/54/60/977095460.db2.gz FUJNXLNRDLFXTB-ZLKJLUDKSA-N -1 3 408.745 3.584 20 0 HHADHM CC(C)C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Br)CCO1 ZINC000429841094 977112527 /nfs/dbraw/zinc/11/25/27/977112527.db2.gz DBBZOHAJVVKUJK-CHWSQXEVSA-N -1 3 410.761 3.975 20 0 HHADHM O=S(=O)([N-][C@@H](c1cccnc1)C1CC1)c1cc(Cl)ccc1Br ZINC000429840926 977112617 /nfs/dbraw/zinc/11/26/17/977112617.db2.gz WCZGCCWHATUAKJ-OAHLLOKOSA-N -1 3 401.713 3.927 20 0 HHADHM Cc1cnc([C@@H](C)C[N-]S(=O)(=O)c2cc(Cl)ccc2Br)s1 ZINC000429889266 977165872 /nfs/dbraw/zinc/16/58/72/977165872.db2.gz HVBPPAKOXYSGRR-QMMMGPOBSA-N -1 3 409.758 3.949 20 0 HHADHM COCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)c1ccco1 ZINC000429890068 977167057 /nfs/dbraw/zinc/16/70/57/977167057.db2.gz WQJHJQOANHWFDT-GFCCVEGCSA-N -1 3 408.701 3.752 20 0 HHADHM C[C@@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)c1cccc(O)c1 ZINC000430211851 977394254 /nfs/dbraw/zinc/39/42/54/977394254.db2.gz BGXWSPNGGONGBS-CQSZACIVSA-N -1 3 414.458 3.823 20 0 HHADHM NC(=O)Cc1ccc(NC(=O)c2c[n-]c3ccc(Oc4ccccc4)cc3c2=O)cc1 ZINC000430446754 977556770 /nfs/dbraw/zinc/55/67/70/977556770.db2.gz GYPLATAINMTOPQ-UHFFFAOYSA-N -1 3 413.433 3.601 20 0 HHADHM CC(C)Cc1cc(NC(=O)c2c[n-]c3ccc(Oc4ccccc4)cc3c2=O)n[nH]1 ZINC000430549433 977626222 /nfs/dbraw/zinc/62/62/22/977626222.db2.gz XPVQQZUKFSBLJM-UHFFFAOYSA-N -1 3 402.454 4.494 20 0 HHADHM C[C@@H](NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O)[C@H]1CCCCO1 ZINC000430569831 977636931 /nfs/dbraw/zinc/63/69/31/977636931.db2.gz JDOHXJPWCLNGJI-YMTOWFKASA-N -1 3 413.699 3.631 20 0 HHADHM C[C@H]1CSCCN1C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430654396 977670393 /nfs/dbraw/zinc/67/03/93/977670393.db2.gz REYLUQCIFXNIJR-QMMMGPOBSA-N -1 3 401.713 3.522 20 0 HHADHM COc1ccc([C@H]2NC(=O)N(c3ccc(-c4cc(=O)[n-]c(C)n4)cc3)C2=O)cc1Cl ZINC000430929069 977893075 /nfs/dbraw/zinc/89/30/75/977893075.db2.gz NKBSBHRCJVEAPZ-LJQANCHMSA-N -1 3 424.844 3.617 20 0 HHADHM COC(=O)c1sc2[n-]c(CN3c4ccccc4S[C@H](C)[C@H]3C)nc(=O)c2c1C ZINC000431004938 977950095 /nfs/dbraw/zinc/95/00/95/977950095.db2.gz JGIJURQGXDUNDG-VXGBXAGGSA-N -1 3 415.540 3.969 20 0 HHADHM Cc1cc(C(=O)Nc2n[n-]c(-c3ccco3)n2)nn1-c1ccc(Br)cc1 ZINC000431025398 977962904 /nfs/dbraw/zinc/96/29/04/977962904.db2.gz SPDTXGWIQWIGJX-UHFFFAOYSA-N -1 3 413.235 3.574 20 0 HHADHM COC(=O)c1cccc([N-]S(=O)(=O)c2cccc(C)c2Br)c1Cl ZINC000431179896 978078955 /nfs/dbraw/zinc/07/89/55/978078955.db2.gz NNBIUEQCCXIMJM-UHFFFAOYSA-N -1 3 418.696 3.998 20 0 HHADHM C[C@@H](Sc1nnc(CO)n1C)c1nc(=O)c2c(-c3cccs3)csc2[n-]1 ZINC000431236711 978120395 /nfs/dbraw/zinc/12/03/95/978120395.db2.gz NSPZTYZQZWMWEW-MRVPVSSYSA-N -1 3 405.530 3.600 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@H](C[C@H](C)O)c2ccccc2)s1 ZINC000431313881 978198963 /nfs/dbraw/zinc/19/89/63/978198963.db2.gz NWHFZSBNAKVMKO-SMDDNHRTSA-N -1 3 418.378 3.652 20 0 HHADHM CCN(C(=O)Cc1ccc(NC(=O)c2ccc(C(=O)OC)[n-]2)cc1)c1ccccc1 ZINC000431347770 978225834 /nfs/dbraw/zinc/22/58/34/978225834.db2.gz CNNPSPGFDPLXFE-UHFFFAOYSA-N -1 3 405.454 3.649 20 0 HHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](CC(N)=O)c2cccc(Cl)c2)c1Cl ZINC000431881927 978574646 /nfs/dbraw/zinc/57/46/46/978574646.db2.gz KENBGRKFQSRBJC-CYBMUJFWSA-N -1 3 421.733 3.850 20 0 HHADHM COc1cc(NC(=O)c2cc([O-])ccc2Cl)c(C(=O)N2CCCCC2)cc1OC ZINC000431954297 978617224 /nfs/dbraw/zinc/61/72/24/978617224.db2.gz PTYJBURINTUVNH-UHFFFAOYSA-N -1 3 418.877 3.941 20 0 HHADHM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc3c(cc2Cl)OCCO3)c1 ZINC000432051731 978661653 /nfs/dbraw/zinc/66/16/53/978661653.db2.gz GQCJCFREKYTKFP-UHFFFAOYSA-N -1 3 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HHADHM COc1ccccc1-c1ccc(CN(C(=O)c2cc(=O)[n-]c(N(C)C)n2)C(C)C)cc1 ZINC000433985014 979735044 /nfs/dbraw/zinc/73/50/44/979735044.db2.gz TUHYEFIKMXRBKS-UHFFFAOYSA-N -1 3 420.513 3.975 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)N(Cc2ccccc2)[C@H](C)c2cccs2)c(C)o1 ZINC000434097618 979847513 /nfs/dbraw/zinc/84/75/13/979847513.db2.gz KGEGISATAULHBT-CQSZACIVSA-N -1 3 418.540 3.961 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H]3C[C@H]3C3CC3)ccc2C)cc1 ZINC000434228979 979999905 /nfs/dbraw/zinc/99/99/05/979999905.db2.gz QGNZOFLCXBWLGT-RBUKOAKNSA-N -1 3 400.500 3.789 20 0 HHADHM CCCOc1ccccc1[C@H](CC(C)C)NC(=O)c1cc(S(=O)(=O)[N-]C)oc1C ZINC000434329128 980093288 /nfs/dbraw/zinc/09/32/88/980093288.db2.gz XEUYNJMEXZMWKJ-SFHVURJKSA-N -1 3 422.547 3.802 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)NCC2(Sc3ccc(C)cc3)CCCC2)c(C)o1 ZINC000434337125 980099963 /nfs/dbraw/zinc/09/99/63/980099963.db2.gz URHAUHVVVGYIPH-UHFFFAOYSA-N -1 3 422.572 3.639 20 0 HHADHM O=C(Cc1cc(F)ccc1Br)NCc1ccc([O-])c(Br)c1 ZINC000434360876 980114757 /nfs/dbraw/zinc/11/47/57/980114757.db2.gz SYHIRUIHUQRDIF-UHFFFAOYSA-N -1 3 417.072 3.915 20 0 HHADHM Cc1nc(C)c(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)s1 ZINC000434366965 980117217 /nfs/dbraw/zinc/11/72/17/980117217.db2.gz MYPOKBKJKIBOIM-UHFFFAOYSA-N -1 3 405.476 3.952 20 0 HHADHM COC(=O)c1sc2[n-]c(CN3CC[C@](C)(c4ccc(C)cc4)C3)nc(=O)c2c1C ZINC000434738689 980372168 /nfs/dbraw/zinc/37/21/68/980372168.db2.gz SWBIZLVZRUZCJU-QFIPXVFZSA-N -1 3 411.527 3.552 20 0 HHADHM CC(C)(C)[C@@H]1OCCC[C@@H]1C[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000435225417 980733524 /nfs/dbraw/zinc/73/35/24/980733524.db2.gz JJADDSKONMBYGJ-IAQYHMDHSA-N -1 3 408.333 3.708 20 0 HHADHM COc1cc(C)c([N-]S(=O)(=O)c2ccc(OC[C@H]3CCOC3)c(F)c2)cc1C ZINC000435721371 981002232 /nfs/dbraw/zinc/00/22/32/981002232.db2.gz IFRUDWXGUDJXNC-HNNXBMFYSA-N -1 3 409.479 3.667 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@H]2C[C@H](c3ccccc3F)C2)cc1OC ZINC000435729936 981006293 /nfs/dbraw/zinc/00/62/93/981006293.db2.gz FSUNOESWWJYVAO-CTYIDZIISA-N 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COC[C@@H](NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1ccc(C)o1 ZINC000436530972 981422786 /nfs/dbraw/zinc/42/27/86/981422786.db2.gz VBEXEHXDDZNTMR-NHCUHLMSSA-N -1 3 422.481 3.659 20 0 HHADHM COC[C@H](NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1ccc(C)o1 ZINC000436530978 981422791 /nfs/dbraw/zinc/42/27/91/981422791.db2.gz VBEXEHXDDZNTMR-SFTDATJTSA-N -1 3 422.481 3.659 20 0 HHADHM Cc1nc(-c2ccccc2C)sc1C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436532210 981424279 /nfs/dbraw/zinc/42/42/79/981424279.db2.gz GOFVRGOODMMLBR-UHFFFAOYSA-N -1 3 421.522 3.731 20 0 HHADHM CCC(C)(C)NC(=O)c1ccc(NC(=O)c2cc3c(cc2[O-])OCO3)cc1Cl ZINC000436536257 981426860 /nfs/dbraw/zinc/42/68/60/981426860.db2.gz APOJUBGUJICVRZ-UHFFFAOYSA-N -1 3 404.850 3.945 20 0 HHADHM COC(=O)CCCc1nnc(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])s1 ZINC000436538495 981428173 /nfs/dbraw/zinc/42/81/73/981428173.db2.gz UDMOXCXYRJIYKN-UHFFFAOYSA-N -1 3 413.455 3.784 20 0 HHADHM CN1CCCN(C(=O)c2ccccc2NC(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000436538564 981429084 /nfs/dbraw/zinc/42/90/84/981429084.db2.gz KDAOSMMTAWMDMJ-UHFFFAOYSA-N -1 3 403.482 3.575 20 0 HHADHM O=C(NCc1ccco1)[C@H]1CCCN1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436546314 981433305 /nfs/dbraw/zinc/43/33/05/981433305.db2.gz JUFYHCJPUNUQQW-JOCHJYFZSA-N -1 3 418.493 3.691 20 0 HHADHM O=C(NCCNC(=O)c1c(F)cccc1F)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436552925 981438809 /nfs/dbraw/zinc/43/88/09/981438809.db2.gz YADYKXXJMIKFEO-UHFFFAOYSA-N -1 3 412.392 3.623 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000436553968 981439759 /nfs/dbraw/zinc/43/97/59/981439759.db2.gz FKTONPUNBWHFGT-FUPPJEDESA-N -1 3 422.525 3.529 20 0 HHADHM O=C(Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1)c1cc2c(cc1[O-])OCO2 ZINC000436554676 981440139 /nfs/dbraw/zinc/44/01/39/981440139.db2.gz LBJRFGOIJLNRSP-UHFFFAOYSA-N -1 3 402.834 3.653 20 0 HHADHM CC(C)[C@@H]1OCCC[C@H]1CNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436555169 981440181 /nfs/dbraw/zinc/44/01/81/981440181.db2.gz 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COc1ccc(C(=O)N2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)c([O-])c1 ZINC000436563389 981447006 /nfs/dbraw/zinc/44/70/06/981447006.db2.gz MVPWODZPVDQWOR-WAIKUNEKSA-N -1 3 405.454 3.645 20 0 HHADHM CC[C@H](C)n1nc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cc1C ZINC000436564723 981448004 /nfs/dbraw/zinc/44/80/04/981448004.db2.gz RWSWKBJGVZLGMQ-KKSFZXQISA-N -1 3 420.513 4.368 20 0 HHADHM COc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(C(C)C)cc2[O-])cc1 ZINC000436567098 981449108 /nfs/dbraw/zinc/44/91/08/981449108.db2.gz XTFHNCGALCHHCU-GOSISDBHSA-N -1 3 400.500 3.678 20 0 HHADHM CCc1cnccc1CNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436567228 981449350 /nfs/dbraw/zinc/44/93/50/981449350.db2.gz ZLWZXCJGKLMBFY-QFIPXVFZSA-N -1 3 403.482 3.527 20 0 HHADHM O=C(c1cccc(F)c1)N1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000436573714 981453481 /nfs/dbraw/zinc/45/34/81/981453481.db2.gz CYIJAWSFTJCGKM-UHFFFAOYSA-N -1 3 418.468 3.720 20 0 HHADHM Cc1cc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cnc1N1CCCC[C@H]1C ZINC000436576480 981454831 /nfs/dbraw/zinc/45/48/31/981454831.db2.gz LMTBCLDFDNQEPK-YLJYHZDGSA-N -1 3 422.529 3.718 20 0 HHADHM O=C(c1ccccc1[O-])N1CCC(Oc2ccccc2I)CC1 ZINC000436577646 981455746 /nfs/dbraw/zinc/45/57/46/981455746.db2.gz OTSAXGDEFNSOBZ-UHFFFAOYSA-N -1 3 423.250 3.680 20 0 HHADHM COc1ccc(C(=O)N[C@H](C)c2nc(-c3ccc(Br)cc3)no2)c([O-])c1 ZINC000436585866 981460686 /nfs/dbraw/zinc/46/06/86/981460686.db2.gz RJPCKZRBDMQJNO-SNVBAGLBSA-N -1 3 418.247 3.704 20 0 HHADHM COc1ccc(C(=O)N2CCC[C@H](NC(=O)c3ccc4ccccc4c3)C2)c([O-])c1 ZINC000436589117 981462782 /nfs/dbraw/zinc/46/27/82/981462782.db2.gz VJIOFCYNHYZXMF-IBGZPJMESA-N -1 3 404.466 3.589 20 0 HHADHM COc1ccc(-c2csc(NC(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])n2)cc1 ZINC000436604382 981469640 /nfs/dbraw/zinc/46/96/40/981469640.db2.gz IYKQKMVQYOFFHH-SFHVURJKSA-N -1 3 423.494 3.768 20 0 HHADHM O=C(Nc1ccc(OC(F)F)c(Cl)c1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436604704 981470240 /nfs/dbraw/zinc/47/02/40/981470240.db2.gz OFRJRHMEXJQFBX-AWEZNQCLSA-N -1 3 410.804 3.890 20 0 HHADHM CC(=O)c1ccc(C(=O)NCc2cccc(NC(=O)c3ccc(F)cc3)c2)cc1[O-] ZINC000436606368 981471082 /nfs/dbraw/zinc/47/10/82/981471082.db2.gz QMCXVXCPUJJZTB-UHFFFAOYSA-N -1 3 406.413 3.916 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N(Cc1ccccn1)C1CC1 ZINC000436606212 981471085 /nfs/dbraw/zinc/47/10/85/981471085.db2.gz QUOLWDBRXSJVSE-HSZRJFAPSA-N -1 3 415.493 3.840 20 0 HHADHM Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436616431 981476715 /nfs/dbraw/zinc/47/67/15/981476715.db2.gz IADVNQDYZXEPNZ-NRFANRHFSA-N -1 3 405.498 3.731 20 0 HHADHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CC[C@@H](CSc2ccccc2)C1 ZINC000436618007 981477368 /nfs/dbraw/zinc/47/73/68/981477368.db2.gz JXBFSNYMONVHEY-XLIONFOSSA-N -1 3 410.539 3.638 20 0 HHADHM CC(=O)c1ccc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccncc2)cc1[O-] ZINC000436621193 981479062 /nfs/dbraw/zinc/47/90/62/981479062.db2.gz CUSVBQZCMFUHAY-UHFFFAOYSA-N -1 3 412.449 3.773 20 0 HHADHM O=C(NCc1ccccc1N1CCOCC1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436621202 981479194 /nfs/dbraw/zinc/47/91/94/981479194.db2.gz XNJNDPVPNWTYCF-UHFFFAOYSA-N -1 3 402.494 3.750 20 0 HHADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000436623962 981480229 /nfs/dbraw/zinc/48/02/29/981480229.db2.gz IATPJYVEZDFNHV-OAQYLSRUSA-N -1 3 410.489 3.617 20 0 HHADHM O=C(NCCCOc1ccc2ccccc2c1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436622987 981480376 /nfs/dbraw/zinc/48/03/76/981480376.db2.gz FNZPQEYIOQYPDV-QFIPXVFZSA-N -1 3 418.493 3.735 20 0 HHADHM O=C(NCCCc1cccc(C(F)(F)F)c1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436624210 981480992 /nfs/dbraw/zinc/48/09/92/981480992.db2.gz AVPFAMMOFXOHAX-SFHVURJKSA-N -1 3 420.431 3.765 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCC[C@H]1[C@@H]1CCCC1=O ZINC000436627379 981481964 /nfs/dbraw/zinc/48/19/64/981481964.db2.gz VVIRFUUFBNEHJT-BDTNDASRSA-N -1 3 420.509 3.614 20 0 HHADHM CC(C)(C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(Cl)cc1 ZINC000436635417 981485865 /nfs/dbraw/zinc/48/58/65/981485865.db2.gz UQXCMUNJVYKEDP-UHFFFAOYSA-N -1 3 400.906 3.744 20 0 HHADHM CC(C)(C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccccc1Cl ZINC000436639261 981488362 /nfs/dbraw/zinc/48/83/62/981488362.db2.gz BXNNTHFSXVXOGA-UHFFFAOYSA-N -1 3 400.906 3.744 20 0 HHADHM CC(C)Cc1ccc(C(=O)CCC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000436655334 981494473 /nfs/dbraw/zinc/49/44/73/981494473.db2.gz KRJRMNVPXAHRLH-UHFFFAOYSA-N -1 3 422.525 3.538 20 0 HHADHM CC(C)(C)c1ccc2cc(C(=O)N3CCN(C(=O)c4ccc([O-])cc4)CC3)[nH]c2c1 ZINC000436655663 981494624 /nfs/dbraw/zinc/49/46/24/981494624.db2.gz JULQCKGXHMTVEO-UHFFFAOYSA-N -1 3 405.498 3.769 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)N[C@H](C)c2ccc(OCC(F)(F)F)cc2)c([O-])c1 ZINC000436660252 981496990 /nfs/dbraw/zinc/49/69/90/981496990.db2.gz CNXVZWACONTYJA-CQSZACIVSA-N -1 3 424.419 3.639 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCC(C)(C)c2cccc(C)c2)c1 ZINC000436664657 981500012 /nfs/dbraw/zinc/50/00/12/981500012.db2.gz LPFBONOACKJXGZ-UHFFFAOYSA-N -1 3 407.470 3.957 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)Cc2cc(C)cc(C)c2)c1 ZINC000436669308 981501947 /nfs/dbraw/zinc/50/19/47/981501947.db2.gz JOOHQSMAFSGKFG-HNNXBMFYSA-N -1 3 407.470 3.919 20 0 HHADHM COc1cccc(F)c1[C@H](C)NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000436669378 981502030 /nfs/dbraw/zinc/50/20/30/981502030.db2.gz KQLKXOWPXYEJJQ-NSHDSACASA-N -1 3 413.405 3.580 20 0 HHADHM CC[C@H](c1ccncc1)N(CC)C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000436669768 981502704 /nfs/dbraw/zinc/50/27/04/981502704.db2.gz NNWVRXBELKVUDM-LJQANCHMSA-N -1 3 408.458 3.949 20 0 HHADHM CC(C)Oc1ccc(CC[C@@H](C)NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000436676935 981506666 /nfs/dbraw/zinc/50/66/66/981506666.db2.gz AVBYHWPFHUFOPE-XMSQKQJNSA-N -1 3 424.541 3.922 20 0 HHADHM CCS[C@@H]1CCCC[C@H]1NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000436678574 981507346 /nfs/dbraw/zinc/50/73/46/981507346.db2.gz CQMCLRYAWFSEAQ-SJLPKXTDSA-N -1 3 403.504 3.735 20 0 HHADHM O=C(NCCNC(=O)[C@@H](Sc1ccc(F)cc1)c1ccccc1)c1ccc([O-])cc1 ZINC000436682586 981510222 /nfs/dbraw/zinc/51/02/22/981510222.db2.gz WJKSLEISGGBUSP-NRFANRHFSA-N -1 3 424.497 3.911 20 0 HHADHM O=C(NCCNC(=O)[C@@H](Sc1ccccc1F)c1ccccc1)c1ccc([O-])cc1 ZINC000436684261 981511035 /nfs/dbraw/zinc/51/10/35/981511035.db2.gz ZOBXNOJSHYYPHF-NRFANRHFSA-N -1 3 424.497 3.911 20 0 HHADHM COc1ccc(Br)cc1-c1noc(-c2cc(OC)c([O-])c(OC)c2)n1 ZINC000436687004 981512366 /nfs/dbraw/zinc/51/23/66/981512366.db2.gz GZCADCMALQLJHQ-UHFFFAOYSA-N -1 3 407.220 3.898 20 0 HHADHM CC(C)c1ccc(C(=O)NCc2cccc(N3C(=O)N[C@](C)(C4CC4)C3=O)c2)c([O-])c1 ZINC000436693640 981516624 /nfs/dbraw/zinc/51/66/24/981516624.db2.gz CFKUXOIOFVPDAZ-XMMPIXPASA-N -1 3 421.497 3.671 20 0 HHADHM CCCn1ccc2cc(NC(=O)N3CCN(C(=O)c4ccccc4[O-])CC3)ccc21 ZINC000436694368 981517247 /nfs/dbraw/zinc/51/72/47/981517247.db2.gz AOKFLZVFUUADLT-UHFFFAOYSA-N -1 3 406.486 3.747 20 0 HHADHM CC(C)(CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])c1ccc(Cl)cc1 ZINC000436694842 981517897 /nfs/dbraw/zinc/51/78/97/981517897.db2.gz CYIXNTQURLLHSK-GOSISDBHSA-N -1 3 400.906 3.744 20 0 HHADHM O=C(N[C@@H](c1ccccc1)C1CCCC1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436709764 981524224 /nfs/dbraw/zinc/52/42/24/981524224.db2.gz PEVHFZJLDJZBOJ-QFIPXVFZSA-N -1 3 407.514 3.791 20 0 HHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1cc(Oc2ccccc2)ccn1 ZINC000436710635 981524939 /nfs/dbraw/zinc/52/49/39/981524939.db2.gz WWIUUTUWJVKNGV-UHFFFAOYSA-N -1 3 417.465 3.614 20 0 HHADHM Cc1cc2cc(CNC(=O)c3cc(NC(=O)c4cnoc4C)ccc3[O-])ccc2[nH]1 ZINC000436712573 981525573 /nfs/dbraw/zinc/52/55/73/981525573.db2.gz OIXQBYOKQYMYSU-UHFFFAOYSA-N -1 3 404.426 3.661 20 0 HHADHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000436718234 981528820 /nfs/dbraw/zinc/52/88/20/981528820.db2.gz YYWPLVCQUZDYPF-QFIPXVFZSA-N -1 3 415.493 3.794 20 0 HHADHM C[C@@H](NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccccc1C(F)(F)F ZINC000436717674 981528951 /nfs/dbraw/zinc/52/89/51/981528951.db2.gz UOOZVFPCLSWNQL-CQSZACIVSA-N -1 3 421.419 3.640 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1cc2c(cn1)CCC2 ZINC000436725721 981533108 /nfs/dbraw/zinc/53/31/08/981533108.db2.gz RANXVFGJCHQSPH-OAQYLSRUSA-N -1 3 401.466 3.776 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCCCO[C@@H](C)c2ccccc2)c1 ZINC000436728364 981534988 /nfs/dbraw/zinc/53/49/88/981534988.db2.gz KRVGKAPNHQOFRV-HNNXBMFYSA-N -1 3 423.469 3.839 20 0 HHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000436731685 981536216 /nfs/dbraw/zinc/53/62/16/981536216.db2.gz QPAQFKAMNXTLMX-SIKLNZKXSA-N -1 3 404.510 3.599 20 0 HHADHM COc1cccc(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)c(C)s2)c1[O-] ZINC000436737144 981538803 /nfs/dbraw/zinc/53/88/03/981538803.db2.gz ITLFBMKVJBMORV-UHFFFAOYSA-N -1 3 409.467 3.970 20 0 HHADHM O=C(Nc1ccc2c3c(cccc31)CC2)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436738730 981539597 /nfs/dbraw/zinc/53/95/97/981539597.db2.gz MIQLHNGHWBDJLR-UHFFFAOYSA-N -1 3 401.466 3.634 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)CCOCc2ccccc2)c1 ZINC000436741551 981540667 /nfs/dbraw/zinc/54/06/67/981540667.db2.gz SYMJRFIQXLIDPK-OAHLLOKOSA-N -1 3 423.469 3.666 20 0 HHADHM CC(C)[C@@H](NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccccc1Cl ZINC000436748220 981543860 /nfs/dbraw/zinc/54/38/60/981543860.db2.gz DVRNNOUOQFPZFN-HXUWFJFHSA-N -1 3 415.921 3.910 20 0 HHADHM O=C(NCCNC(=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1)c1ccc([O-])cc1 ZINC000436748179 981544096 /nfs/dbraw/zinc/54/40/96/981544096.db2.gz RDOCYCGFTIFQRW-ZWKOTPCHSA-N -1 3 421.522 3.598 20 0 HHADHM O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436757313 981548036 /nfs/dbraw/zinc/54/80/36/981548036.db2.gz UYOPEEFGLDWXRS-UHFFFAOYSA-N -1 3 424.478 3.977 20 0 HHADHM COc1ccc(CN2CCCN(C(=O)c3ccc(Br)cc3[O-])CC2)cc1 ZINC000436759182 981549255 /nfs/dbraw/zinc/54/92/55/981549255.db2.gz URHFRUNNBUODQZ-UHFFFAOYSA-N -1 3 419.319 3.511 20 0 HHADHM O=C(Nc1ccc(Cn2cncn2)cc1)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436759809 981549762 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981606634 /nfs/dbraw/zinc/60/66/34/981606634.db2.gz BFYSSCKHHCJOLN-UHFFFAOYSA-N -1 3 414.465 3.650 20 0 HHADHM COc1cc(CNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)ccc1C ZINC000436902320 981608524 /nfs/dbraw/zinc/60/85/24/981608524.db2.gz FLQCLJQPPXRCKP-JOCHJYFZSA-N -1 3 418.493 3.887 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)Nc2cc(NC(=O)C(C)(C)C)ccc2C)c([O-])c1 ZINC000436903074 981609232 /nfs/dbraw/zinc/60/92/32/981609232.db2.gz GURPPZWEORSGNO-UHFFFAOYSA-N -1 3 411.502 3.752 20 0 HHADHM Cc1cccc(OCCNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC000436903282 981609296 /nfs/dbraw/zinc/60/92/96/981609296.db2.gz MEDMRGALNMHZMP-QHCPKHFHSA-N -1 3 418.493 3.757 20 0 HHADHM C[C@@H]1CCCC[C@H]1OCCNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436906844 981612725 /nfs/dbraw/zinc/61/27/25/981612725.db2.gz FFVJNKNUFYYTID-YFXJRYMSSA-N -1 3 424.541 3.965 20 0 HHADHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000436909207 981614667 /nfs/dbraw/zinc/61/46/67/981614667.db2.gz 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Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2CCOc3c(F)ccc(F)c32)s1 ZINC000462301944 985288180 /nfs/dbraw/zinc/28/81/80/985288180.db2.gz YYZKQRNKAMAKHB-LLVKDONJSA-N -1 3 424.288 3.899 20 0 HHADHM Cc1ccc([C@H]2CCCCCN2S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)o1 ZINC000442942200 985293354 /nfs/dbraw/zinc/29/33/54/985293354.db2.gz HPBJVLUTERTLGD-MRXNPFEDSA-N -1 3 421.910 3.728 20 0 HHADHM Cc1ccc([C@H]2CCCCCN2S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)o1 ZINC000442942200 985293363 /nfs/dbraw/zinc/29/33/63/985293363.db2.gz HPBJVLUTERTLGD-MRXNPFEDSA-N -1 3 421.910 3.728 20 0 HHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CCc2cccc(C(=O)N(C)C)c2)c1Cl ZINC000462309340 985295577 /nfs/dbraw/zinc/29/55/77/985295577.db2.gz CKJDWRUGYZMMIO-UHFFFAOYSA-N -1 3 415.342 3.525 20 0 HHADHM COc1ccccc1[C@@]1(C)C[C@H]1[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000462316674 985304542 /nfs/dbraw/zinc/30/45/42/985304542.db2.gz MNHTZBRFWJUOJI-IAGOWNOFSA-N -1 3 403.397 3.862 20 0 HHADHM Cc1ncc(CNC(=O)N[C@@H](Cc2ccccc2C(F)(F)F)C(C)(C)C)c(=O)[n-]1 ZINC000462319073 985307999 /nfs/dbraw/zinc/30/79/99/985307999.db2.gz ODGDRGKRSDOEQE-INIZCTEOSA-N -1 3 410.440 3.966 20 0 HHADHM COc1ccccc1[C@@]1(C)C[C@@H]1[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000462327573 985318414 /nfs/dbraw/zinc/31/84/14/985318414.db2.gz OUONVWHGIUNPDI-DLBZAZTESA-N -1 3 414.296 3.605 20 0 HHADHM CO[C@H](c1ccc(Cl)cc1)[C@H](C)[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000462335870 985326027 /nfs/dbraw/zinc/32/60/27/985326027.db2.gz CGCPCINXJBKJOG-BONVTDFDSA-N -1 3 419.728 3.552 20 0 HHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)C(F)(F)F)cc1C ZINC000462344861 985333996 /nfs/dbraw/zinc/33/39/96/985333996.db2.gz ZCAHFRLUTLKSEN-HNNXBMFYSA-N -1 3 405.369 3.503 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCc2c[nH]c3ccc(F)cc23)s1 ZINC000462352428 985341219 /nfs/dbraw/zinc/34/12/19/985341219.db2.gz NCODSOSDPQAORQ-UHFFFAOYSA-N -1 3 417.325 3.960 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]CCCc1ccc(OC)cc1 ZINC000443028258 985344130 /nfs/dbraw/zinc/34/41/30/985344130.db2.gz SYNWDCWASLRNPF-UHFFFAOYSA-N -1 3 419.524 3.608 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]Cc1ccccc1Oc1ccccc1 ZINC000443049502 985352805 /nfs/dbraw/zinc/35/28/05/985352805.db2.gz NIXUPCSQFVFAIZ-UHFFFAOYSA-N -1 3 415.442 3.883 20 0 HHADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc3c2CN([C@@H](C)C(C)C)C3)ccc1F ZINC000462368828 985354386 /nfs/dbraw/zinc/35/43/86/985354386.db2.gz GYTORSKKHAQYOR-AWEZNQCLSA-N -1 3 419.522 3.945 20 0 HHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](C)c1oc2ccc(OC)cc2c1C ZINC000443073384 985362485 /nfs/dbraw/zinc/36/24/85/985362485.db2.gz FXMISPONPYKULF-LBPRGKRZSA-N -1 3 421.446 3.715 20 0 HHADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000443075320 985363346 /nfs/dbraw/zinc/36/33/46/985363346.db2.gz WSDJWAZBJXSFPO-HNNXBMFYSA-N -1 3 414.936 3.793 20 0 HHADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@H](c1cccc(C(F)(F)F)c1)C(C)C ZINC000443077015 985364671 /nfs/dbraw/zinc/36/46/71/985364671.db2.gz DVTLFEYDQFSIIE-ZDUSSCGKSA-N -1 3 422.450 3.624 20 0 HHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C(c1cccs1)c1cccs1 ZINC000443122001 985389788 /nfs/dbraw/zinc/38/97/88/985389788.db2.gz ZDODQWCPMTYPDH-UHFFFAOYSA-N -1 3 411.501 3.803 20 0 HHADHM Cc1cnc([C@@H]([N-]S(=O)(=O)c2ccc(Br)c(F)c2)C2CC2)s1 ZINC000462422669 985395019 /nfs/dbraw/zinc/39/50/19/985395019.db2.gz USVYXFWBPHKQEL-ZDUSSCGKSA-N -1 3 405.314 3.783 20 0 HHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H]1CCCO[C@@H]1c1ccncc1 ZINC000443145630 985405753 /nfs/dbraw/zinc/40/57/53/985405753.db2.gz MTEBHBLSLODLHV-FUHWJXTLSA-N -1 3 406.891 3.988 20 0 HHADHM C[C@H](CC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccc(F)c(Br)c1 ZINC000462488886 985442747 /nfs/dbraw/zinc/44/27/47/985442747.db2.gz IWOPXNYNGRLHPD-SSDOTTSWSA-N -1 3 409.181 3.535 20 0 HHADHM COCc1nc(C[N-]S(=O)(=O)c2nc(C)c(C)s2)c(-c2ccccc2)s1 ZINC000443221132 985449347 /nfs/dbraw/zinc/44/93/47/985449347.db2.gz LAQZXEWWPSJELP-UHFFFAOYSA-N -1 3 409.558 3.508 20 0 HHADHM CC[C@](C)([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)OC)c1nccs1 ZINC000443257433 985460320 /nfs/dbraw/zinc/46/03/20/985460320.db2.gz YSQRCOHUKFLJLY-HNNXBMFYSA-N -1 3 422.450 3.552 20 0 HHADHM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]Cc2ccccc2C(F)(F)F)c1 ZINC000462526167 985475983 /nfs/dbraw/zinc/47/59/83/985475983.db2.gz ZFWXQPDRNGUQRJ-UHFFFAOYSA-N -1 3 407.797 3.624 20 0 HHADHM Cc1ccc(OCc2ccccc2)c(NC(=O)C(=O)NCc2ccc([O-])c(F)c2)c1 ZINC000443309562 985484378 /nfs/dbraw/zinc/48/43/78/985484378.db2.gz SEKCWSQAZOIRSV-UHFFFAOYSA-N -1 3 408.429 3.674 20 0 HHADHM CC[C@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000443327941 985496995 /nfs/dbraw/zinc/49/69/95/985496995.db2.gz OPTWKZQUHKKXHD-MWLCHTKSSA-N -1 3 418.275 3.543 20 0 HHADHM O=C(Cn1cc(Cl)c(=O)[n-]c1=O)Nc1ccc(Oc2cccc(Cl)c2)cc1 ZINC000443404105 985558020 /nfs/dbraw/zinc/55/80/20/985558020.db2.gz DAAPEXQVXLBCGD-UHFFFAOYSA-N -1 3 406.225 3.687 20 0 HHADHM COc1cccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3cccc(Cl)c3C)n2)c1 ZINC000462657920 985597715 /nfs/dbraw/zinc/59/77/15/985597715.db2.gz JEEDWEVYEXCPPF-LBPRGKRZSA-N -1 3 407.879 3.747 20 0 HHADHM COc1ccccc1-c1noc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2C)n1 ZINC000462660906 985600822 /nfs/dbraw/zinc/60/08/22/985600822.db2.gz SIKMPOPJQLJVIA-GFCCVEGCSA-N -1 3 407.879 3.747 20 0 HHADHM COc1ccccc1-c1noc([C@H](C)[N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)n1 ZINC000462665626 985604902 /nfs/dbraw/zinc/60/49/02/985604902.db2.gz JRXMEQFTFSCVIY-ZDUSSCGKSA-N -1 3 405.451 3.541 20 0 HHADHM CCC[C@@H]([N-]S(=O)(=O)c1sc(C)cc1Br)C(=O)OC(C)(C)C ZINC000462679714 985617932 /nfs/dbraw/zinc/61/79/32/985617932.db2.gz NVUPKXNKMRWABE-LLVKDONJSA-N -1 3 412.371 3.608 20 0 HHADHM COC(=O)[C@@H](C[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl)c1ccccc1 ZINC000462697631 985638830 /nfs/dbraw/zinc/63/88/30/985638830.db2.gz BCHFQYPUFLIJMH-ZDUSSCGKSA-N -1 3 402.299 3.537 20 0 HHADHM CN(C(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)CC1CCCCC1)c1ccccc1 ZINC000462710724 985656587 /nfs/dbraw/zinc/65/65/87/985656587.db2.gz MOCAKNCYLXXTPN-QFIPXVFZSA-N -1 3 414.571 3.760 20 0 HHADHM COC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C1CCCCC1 ZINC000462711327 985656753 /nfs/dbraw/zinc/65/67/53/985656753.db2.gz ZNGYHLBZHMBPHX-AWEZNQCLSA-N -1 3 411.417 3.635 20 0 HHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H](C)CCc2ccc(C)o2)cc1Cl ZINC000462712463 985657717 /nfs/dbraw/zinc/65/77/17/985657717.db2.gz XLWLNZDMSZBBOT-SNVBAGLBSA-N -1 3 402.875 3.639 20 0 HHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@@H](c1ccccc1)C(C)(C)CO ZINC000443492281 985667179 /nfs/dbraw/zinc/66/71/79/985667179.db2.gz SVWULDPZCNKEPC-SFHVURJKSA-N -1 3 405.491 3.961 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC000443498751 985671117 /nfs/dbraw/zinc/67/11/17/985671117.db2.gz MHWYXNGMZJFIAS-BPQIPLTHSA-N -1 3 413.520 3.695 20 0 HHADHM Cc1ncc(CNC(=O)N[C@@H]2CCCc3sc(-c4ccc(F)cc4)nc32)c(=O)[n-]1 ZINC000468153885 985825362 /nfs/dbraw/zinc/82/53/62/985825362.db2.gz AYXSFYTZPNFVMH-OAHLLOKOSA-N -1 3 413.478 3.630 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)NCC[C@@H](C)CC(C)(C)C)c2)n1 ZINC000443816054 986011791 /nfs/dbraw/zinc/01/17/91/986011791.db2.gz LWBHBYWQEHYOJQ-OAHLLOKOSA-N -1 3 412.534 3.929 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000468342861 986039452 /nfs/dbraw/zinc/03/94/52/986039452.db2.gz WCZOLKSONICHEW-KRWDZBQOSA-N -1 3 400.498 3.578 20 0 HHADHM COCCOc1ccc(F)cc1S(=O)(=O)[N-]c1cc(C)ccc1Br ZINC000468383875 986084041 /nfs/dbraw/zinc/08/40/41/986084041.db2.gz KQDBXWFGFKYXCF-UHFFFAOYSA-N -1 3 418.284 3.723 20 0 HHADHM CC[C@@H](C(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2cccs2)c1)N(CC)CC ZINC000468404896 986103625 /nfs/dbraw/zinc/10/36/25/986103625.db2.gz GFXRQLJDSZOQDW-INIZCTEOSA-N -1 3 413.540 3.747 20 0 HHADHM O=S(=O)([N-][C@H](c1nc[nH]n1)c1cccc(C(F)(F)F)c1)c1ccc(Cl)s1 ZINC000468425223 986123650 /nfs/dbraw/zinc/12/36/50/986123650.db2.gz HVPOWVPATTWTDF-LBPRGKRZSA-N -1 3 422.841 3.606 20 0 HHADHM O=C([N-]c1n[nH]c(-c2cc(Cl)ccc2Cl)n1)c1cn(-c2ccccc2)nn1 ZINC000463161424 986133552 /nfs/dbraw/zinc/13/35/52/986133552.db2.gz ISUSTNMMSBJTEK-UHFFFAOYSA-N -1 3 400.229 3.612 20 0 HHADHM CC(C)Oc1ccc([N-]S(=O)(=O)Cc2nc(-c3ncsc3Cl)no2)cc1 ZINC000463187127 986158256 /nfs/dbraw/zinc/15/82/56/986158256.db2.gz YSKGAKRQFVYLCB-UHFFFAOYSA-N -1 3 414.896 3.576 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(CN3CCSCC3)c2)cc1C ZINC000444034365 986230860 /nfs/dbraw/zinc/23/08/60/986230860.db2.gz TXQHCPXNTKTKJH-UHFFFAOYSA-N -1 3 406.573 3.662 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCC(c2noc(C3CC3)n2)CC1 ZINC000463311304 986279314 /nfs/dbraw/zinc/27/93/14/986279314.db2.gz WTQTWPNBPZVZGW-UHFFFAOYSA-N -1 3 421.295 3.504 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(Oc3cc(C)[nH]n3)cc2)cc1OC ZINC000468608466 986321942 /nfs/dbraw/zinc/32/19/42/986321942.db2.gz MPKBZQWOSJGBDK-UHFFFAOYSA-N -1 3 403.460 3.637 20 0 HHADHM COC(=O)c1sc2[n-]c(CN(C)CC(C)(C)c3ccc(C)cc3)nc(=O)c2c1C ZINC000444163026 986339629 /nfs/dbraw/zinc/33/96/29/986339629.db2.gz AUDXCLKNCQZHKY-UHFFFAOYSA-N -1 3 413.543 3.798 20 0 HHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCc3c(Br)ccc(Cl)c3C2)c1 ZINC000468623876 986340030 /nfs/dbraw/zinc/34/00/30/986340030.db2.gz VPERWBVHOZKLCS-UHFFFAOYSA-N -1 3 423.694 3.965 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)NCc1cn2cc(Br)ccc2n1 ZINC000468638474 986353809 /nfs/dbraw/zinc/35/38/09/986353809.db2.gz LZFQNKHKSVWPRV-UHFFFAOYSA-N -1 3 406.255 3.581 20 0 HHADHM O=S(=O)([N-]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1)c1c(Cl)cccc1Cl ZINC000444219225 986402846 /nfs/dbraw/zinc/40/28/46/986402846.db2.gz HPBGWFHZECPKIR-TVQRCGJNSA-N -1 3 406.253 3.755 20 0 HHADHM Cc1nc(S(=O)(=O)[N-][C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)cn1C ZINC000444221270 986406862 /nfs/dbraw/zinc/40/68/62/986406862.db2.gz OOOOHPAFFZOTIV-GFCCVEGCSA-N -1 3 415.359 3.719 20 0 HHADHM O=S(=O)([N-]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1)c1cccc(Cl)c1Cl ZINC000444222963 986409992 /nfs/dbraw/zinc/40/99/92/986409992.db2.gz MPDRXKJRZMLXFW-TVQRCGJNSA-N -1 3 406.253 3.755 20 0 HHADHM C[C@H](Oc1cccc2ccccc21)C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000444261465 986459023 /nfs/dbraw/zinc/45/90/23/986459023.db2.gz YCDHGOAENHFOKR-KRWDZBQOSA-N -1 3 418.493 3.734 20 0 HHADHM CC(C)N(CC1CCC1)C(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000444329407 986508590 /nfs/dbraw/zinc/50/85/90/986508590.db2.gz OVQZALGDWSQVIK-UHFFFAOYSA-N -1 3 424.282 3.783 20 0 HHADHM C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000444336426 986514261 /nfs/dbraw/zinc/51/42/61/986514261.db2.gz OCJZLICPLPBYRZ-LBPRGKRZSA-N -1 3 415.287 3.699 20 0 HHADHM Cc1cc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3F)c2)ns1 ZINC000444338746 986517484 /nfs/dbraw/zinc/51/74/84/986517484.db2.gz DWRWEUMNPUTBPR-UHFFFAOYSA-N -1 3 405.476 3.952 20 0 HHADHM Cc1ccc(F)c(CN(C)C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)c1 ZINC000444427309 986611585 /nfs/dbraw/zinc/61/15/85/986611585.db2.gz CJGZPGBFJMPSQT-UHFFFAOYSA-N -1 3 419.453 3.674 20 0 HHADHM COC(=O)CCc1nnc([N-]C(=O)c2ccc(-c3ccc(C(C)(C)C)cc3)o2)s1 ZINC000463668295 986649568 /nfs/dbraw/zinc/64/95/68/986649568.db2.gz ITYZPQMDRNCAIN-UHFFFAOYSA-N -1 3 413.499 4.454 20 0 HHADHM COC(=O)c1cccc(Cc2cnc([N-]C(=O)c3cc(-c4ccccn4)no3)s2)c1 ZINC000468962684 986666112 /nfs/dbraw/zinc/66/61/12/986666112.db2.gz JXDKIPZUWVZOPB-UHFFFAOYSA-N -1 3 420.450 3.823 20 0 HHADHM COc1ccc2c(c1)CN(C(=O)Cc1c(C)nc(C)[n-]c1=O)[C@H](C1CCCCC1)C2 ZINC000444492295 986687259 /nfs/dbraw/zinc/68/72/59/986687259.db2.gz YDLNXIQTDSWIBU-QFIPXVFZSA-N -1 3 409.530 3.884 20 0 HHADHM CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000468982173 986689013 /nfs/dbraw/zinc/68/90/13/986689013.db2.gz NTZCRHXNPSAOHZ-IBGZPJMESA-N -1 3 401.478 3.923 20 0 HHADHM Cc1cc(C(C)(C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)ccc1Br ZINC000463721511 986706821 /nfs/dbraw/zinc/70/68/21/986706821.db2.gz ISUOZHPEYYAMAH-UHFFFAOYSA-N -1 3 400.280 3.854 20 0 HHADHM Cc1cc(C(C)(C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)ccc1Br ZINC000463721511 986706824 /nfs/dbraw/zinc/70/68/24/986706824.db2.gz ISUOZHPEYYAMAH-UHFFFAOYSA-N -1 3 400.280 3.854 20 0 HHADHM Cc1cc(Oc2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCCC(=O)N4)cc2)n[nH]1 ZINC000469010458 986716803 /nfs/dbraw/zinc/71/68/03/986716803.db2.gz NMSJLWWTKHUSSD-UHFFFAOYSA-N -1 3 412.471 3.586 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC000469028249 986738544 /nfs/dbraw/zinc/73/85/44/986738544.db2.gz SXSQZFLDZOMWIC-UHFFFAOYSA-N -1 3 422.859 3.631 20 0 HHADHM CCc1ccc(CS(=O)(=O)[N-][C@H](c2noc(C)n2)c2ccc(Cl)cc2)cc1 ZINC000469040618 986750174 /nfs/dbraw/zinc/75/01/74/986750174.db2.gz VFEMOIVRVAWTMT-SFHVURJKSA-N -1 3 405.907 3.803 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CSC[C@H]1C(=O)Nc1ccc(F)cc1 ZINC000469094688 986808842 /nfs/dbraw/zinc/80/88/42/986808842.db2.gz ZCOJGCALUIIBEZ-KRWDZBQOSA-N -1 3 406.454 3.533 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)NCc1cc(Br)c2c(c1)OCCO2 ZINC000469124035 986842763 /nfs/dbraw/zinc/84/27/63/986842763.db2.gz YSWQHAZRPBZLMR-UHFFFAOYSA-N -1 3 424.266 3.704 20 0 HHADHM CCOC(=O)c1nc(C2CCN(C(=O)C[C@H](C)Cc3ccc(Cl)cc3)CC2)n[n-]1 ZINC000444761112 986922142 /nfs/dbraw/zinc/92/21/42/986922142.db2.gz MBVHIPJORVAJNS-CQSZACIVSA-N -1 3 418.925 3.610 20 0 HHADHM CCOC(=O)c1nnc(C2CCN(C(=O)C[C@H](C)Cc3ccc(Cl)cc3)CC2)[n-]1 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408.277 3.539 20 0 HHADHM O=C([N-]c1n[nH]c(-c2ccc(Br)cc2)n1)c1cc2nccnc2cc1F ZINC000471887184 990060289 /nfs/dbraw/zinc/06/02/89/990060289.db2.gz ITGMTCLUBZGIMM-UHFFFAOYSA-N -1 3 413.210 3.569 20 0 HHADHM CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000465974763 991127058 /nfs/dbraw/zinc/12/70/58/991127058.db2.gz AAAJRHHBTQXACA-LJQANCHMSA-N -1 3 407.436 3.788 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)NCC[C@@H](C)c3ccccc3)c2)[n-]1 ZINC000466396403 991688371 /nfs/dbraw/zinc/68/83/71/991688371.db2.gz QYRWMDPYLWGGNV-MRXNPFEDSA-N -1 3 421.501 3.641 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)NCC[C@@H](C)c3ccccc3)c2)n[n-]1 ZINC000466396403 991688376 /nfs/dbraw/zinc/68/83/76/991688376.db2.gz QYRWMDPYLWGGNV-MRXNPFEDSA-N -1 3 421.501 3.641 20 0 HHADHM NC(=O)CCSc1ccccc1[N-]C(=O)c1cc(COc2ccccc2F)on1 ZINC000466421195 991711865 /nfs/dbraw/zinc/71/18/65/991711865.db2.gz JOKDRAJFGRWQAM-UHFFFAOYSA-N -1 3 415.446 3.613 20 0 HHADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC=Cc3ccccc32)cc1 ZINC000466729094 992039593 /nfs/dbraw/zinc/03/95/93/992039593.db2.gz LVNBHKUYGJZERB-UHFFFAOYSA-N -1 3 420.556 3.841 20 0 HHADHM COC[C@@H]1CCCCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)C1 ZINC000466831304 992140678 /nfs/dbraw/zinc/14/06/78/992140678.db2.gz MHEKRYKOEBXARZ-MRXNPFEDSA-N -1 3 420.506 3.515 20 0 HHADHM CCn1c2ccc(S(=O)(=O)[N-]c3ccc4nc(-c5ccco5)[nH]c4c3)cc2oc1=O ZINC000466956816 992266101 /nfs/dbraw/zinc/26/61/01/992266101.db2.gz WMLWTQQCBCXISQ-UHFFFAOYSA-N -1 3 424.438 3.552 20 0 HHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)SCC(=O)OC(C)(C)C)nc(=O)c2c1C ZINC000472206595 993239973 /nfs/dbraw/zinc/23/99/73/993239973.db2.gz MGPVWNOYJOSEGH-SNVBAGLBSA-N -1 3 412.533 3.606 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CCC(=O)c3ccccn3)cc2)cc1 ZINC000472243980 993271957 /nfs/dbraw/zinc/27/19/57/993271957.db2.gz UDXDLHXFEGQLKD-UHFFFAOYSA-N -1 3 423.494 3.792 20 0 HHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CCC1CCN(CC(F)(F)F)CC1 ZINC000472315378 993326739 /nfs/dbraw/zinc/32/67/39/993326739.db2.gz 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COc1ccc(-c2cc3[n-]c(CN(C)C[C@H]4CCCC[C@H]4O)nc(=O)c3s2)cc1 ZINC000481441178 994277068 /nfs/dbraw/zinc/27/70/68/994277068.db2.gz LRJFLLGIHKXXGC-CRAIPNDOSA-N -1 3 413.543 3.643 20 0 HHADHM COC(=O)[C@H](C)[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1ccccc1 ZINC000481448694 994284784 /nfs/dbraw/zinc/28/47/84/994284784.db2.gz VIEKTWGSZUCPGN-ABAIWWIYSA-N -1 3 402.299 3.822 20 0 HHADHM COc1ccc(-c2nc(S[C@H](C)c3nc(C)cc(=O)[n-]3)n[nH]2)cc1Br ZINC000473515099 994368653 /nfs/dbraw/zinc/36/86/53/994368653.db2.gz VMXDPXJRTWDVAG-SECBINFHSA-N -1 3 422.308 3.900 20 0 HHADHM O=C(Cc1csc(-c2cccc(Br)c2)n1)NCc1ncccc1[O-] ZINC000473638764 994520186 /nfs/dbraw/zinc/52/01/86/994520186.db2.gz MZTHRHOVYISJKM-UHFFFAOYSA-N -1 3 404.289 3.532 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000473655548 994542229 /nfs/dbraw/zinc/54/22/29/994542229.db2.gz DHGINNXOAAEHQE-UYAOXDASSA-N -1 3 420.488 3.665 20 0 HHADHM CC(C)Oc1cncc(C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)c1 ZINC000481796635 994643956 /nfs/dbraw/zinc/64/39/56/994643956.db2.gz BAUZLTCFEPVYCY-UHFFFAOYSA-N -1 3 417.409 3.511 20 0 HHADHM Cc1nc([N-]C(=O)c2sccc2S(=O)(=O)NCc2cccs2)sc1C ZINC000481900527 994771554 /nfs/dbraw/zinc/77/15/54/994771554.db2.gz OKGHHZATAPNJDV-UHFFFAOYSA-N -1 3 413.571 3.614 20 0 HHADHM CC(=O)c1ccc(Oc2ccc(C(=O)NCc3nc(C(F)(F)F)n[n-]3)cc2)cc1 ZINC000481915072 994786673 /nfs/dbraw/zinc/78/66/73/994786673.db2.gz BGWIIOZKPFEZMG-UHFFFAOYSA-N -1 3 404.348 3.748 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]Cc2nc(-c3ccc(Cl)cc3)no2)sc1Cl ZINC000473861112 994798862 /nfs/dbraw/zinc/79/88/62/994798862.db2.gz IDMSKBCGQTWWAS-UHFFFAOYSA-N -1 3 404.300 3.892 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]Cc2nc(-c3cccc(Cl)c3)no2)sc1Cl ZINC000473863413 994801613 /nfs/dbraw/zinc/80/16/13/994801613.db2.gz PBLKONKKKQDGLK-UHFFFAOYSA-N -1 3 404.300 3.892 20 0 HHADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCC3)c(F)c2)cc1 ZINC000481944786 994822263 /nfs/dbraw/zinc/82/22/63/994822263.db2.gz IMXOMQGZDUTWFY-UHFFFAOYSA-N -1 3 409.479 3.973 20 0 HHADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC[C@H]3CCCO3)cc2)cc1Cl ZINC000481955060 994837818 /nfs/dbraw/zinc/83/78/18/994837818.db2.gz DNVRADBEBNNKJB-MRXNPFEDSA-N -1 3 424.906 3.657 20 0 HHADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)sc1Cl ZINC000473938549 994912834 /nfs/dbraw/zinc/91/28/34/994912834.db2.gz SNZSZCMHODVWAG-DZGCQCFKSA-N -1 3 406.907 3.712 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@H](C)c2cc3ccccc3o2)cc1OC ZINC000482122329 995071452 /nfs/dbraw/zinc/07/14/52/995071452.db2.gz PLWWOMNRBGVHEY-CYBMUJFWSA-N -1 3 402.472 3.945 20 0 HHADHM CC[C@@H]([N-]S(=O)(=O)c1cc(OC)ccc1Br)c1nc(C)cs1 ZINC000474101040 995082041 /nfs/dbraw/zinc/08/20/41/995082041.db2.gz ZUDDNDBBVCJUMN-GFCCVEGCSA-N -1 3 405.339 3.652 20 0 HHADHM O=C(Cc1cccc(OCc2cccc(Cl)c2)c1)NCc1nc(C(F)(F)F)n[n-]1 ZINC000482233713 995216709 /nfs/dbraw/zinc/21/67/09/995216709.db2.gz HXMFDILPJYFIFL-UHFFFAOYSA-N -1 3 424.810 3.915 20 0 HHADHM Cc1cc(C(=O)NCc2nc(C(F)(F)F)n[n-]2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000482233579 995216794 /nfs/dbraw/zinc/21/67/94/995216794.db2.gz GIKFORSXPSGVMA-UHFFFAOYSA-N -1 3 419.194 3.554 20 0 HHADHM O=C(NCCCCOCCc1ccccc1)NCc1ccc([O-])c(Br)c1 ZINC000482257472 995235849 /nfs/dbraw/zinc/23/58/49/995235849.db2.gz AMYXWZOSFYZUCO-UHFFFAOYSA-N -1 3 421.335 3.993 20 0 HHADHM CCOc1ccc(C(=O)CCC(=O)NCc2ccc([O-])c(Br)c2)cc1F ZINC000474255978 995254794 /nfs/dbraw/zinc/25/47/94/995254794.db2.gz ZRVMJMWSWGHUMZ-UHFFFAOYSA-N -1 3 424.266 3.972 20 0 HHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cccc(OCc2cn3ccccc3n2)c1 ZINC000474305464 995293616 /nfs/dbraw/zinc/29/36/16/995293616.db2.gz BXWCPRPSUYABAU-UHFFFAOYSA-N -1 3 421.482 3.692 20 0 HHADHM O=C(NCCc1ccc(F)cc1Cl)NCc1ccc([O-])c(Br)c1 ZINC000482321838 995300372 /nfs/dbraw/zinc/30/03/72/995300372.db2.gz CCNFFXNZGYIYFQ-UHFFFAOYSA-N -1 3 401.663 3.989 20 0 HHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H](C)Cc1cccc(Br)c1 ZINC000474556332 995521075 /nfs/dbraw/zinc/52/10/75/995521075.db2.gz JWKXGOZCPQOLDW-LLVKDONJSA-N -1 3 406.324 3.912 20 0 HHADHM Cc1ccc(SC[C@@H](C)NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)cc1 ZINC000474561930 995526115 /nfs/dbraw/zinc/52/61/15/995526115.db2.gz FXEGEBXZOZZKSE-MRXNPFEDSA-N -1 3 422.554 3.678 20 0 HHADHM C[C@H](NC(=O)NCc1ccc([O-])c(Br)c1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000482592102 995594233 /nfs/dbraw/zinc/59/42/33/995594233.db2.gz JLWVIDMWZVKLGG-FTLABTOESA-N -1 3 405.292 3.907 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1ccccc1C(=O)N1CCCC1 ZINC000482639707 995634069 /nfs/dbraw/zinc/63/40/69/995634069.db2.gz HHVKOEVIZCMKSF-UHFFFAOYSA-N -1 3 418.291 3.712 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)Nc1ccn(C(C)C)n1 ZINC000482728187 995711414 /nfs/dbraw/zinc/71/14/14/995711414.db2.gz MAZHNDYHBJWCMU-UHFFFAOYSA-N -1 3 416.478 3.965 20 0 HHADHM CCc1ccnc(-c2noc(-c3ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c3)n2)c1 ZINC000482762607 995731873 /nfs/dbraw/zinc/73/18/73/995731873.db2.gz UUHZTAWQJCISGG-UHFFFAOYSA-N -1 3 404.467 3.577 20 0 HHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1 ZINC000474831722 995737261 /nfs/dbraw/zinc/73/72/61/995737261.db2.gz PDXFCERTEUTBQM-UHFFFAOYSA-N -1 3 400.504 3.527 20 0 HHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC[C@H](C)Oc1ccccc1Br ZINC000482796978 995755210 /nfs/dbraw/zinc/75/52/10/995755210.db2.gz DPIQONPJAXYORE-NSHDSACASA-N -1 3 422.323 3.748 20 0 HHADHM COc1ccc([C@@H](NC(=O)NCc2nc(C(F)(F)F)n[n-]2)c2ccc(C)cc2)cc1 ZINC000482894829 995824766 /nfs/dbraw/zinc/82/47/66/995824766.db2.gz XMMSAWIFWXTRCS-KRWDZBQOSA-N -1 3 419.407 3.729 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1cc2c(cc1F)CCC(=O)N2 ZINC000483032034 995931214 /nfs/dbraw/zinc/93/12/14/995931214.db2.gz OZDFNEYCQDCKDM-UHFFFAOYSA-N -1 3 408.227 3.500 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N[C@@H](Cc1ccccc1)c1ccccc1F ZINC000483092911 995968463 /nfs/dbraw/zinc/96/84/63/995968463.db2.gz ANZRANDGDJRYIY-HNNXBMFYSA-N -1 3 407.371 3.746 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)Cc3ccoc3)ccc2C)cc1 ZINC000475312877 996062807 /nfs/dbraw/zinc/06/28/07/996062807.db2.gz MQEBPFXAZRWMTG-UHFFFAOYSA-N -1 3 400.456 3.579 20 0 HHADHM COc1cc(C(=O)Nc2ccc(=O)n(Cc3ccccc3Cl)c2)cc(OC)c1[O-] ZINC000483275031 996075302 /nfs/dbraw/zinc/07/53/02/996075302.db2.gz ZPRPONVYFJVGCZ-UHFFFAOYSA-N -1 3 414.845 3.525 20 0 HHADHM CCS[C@H]1CCC[C@@H](NC(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)C1 ZINC000483439232 996179705 /nfs/dbraw/zinc/17/97/05/996179705.db2.gz JZCCAXTZECMKSD-HIFRSBDPSA-N -1 3 415.581 3.643 20 0 HHADHM C[C@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483547510 996243752 /nfs/dbraw/zinc/24/37/52/996243752.db2.gz VFQQJQDYYGTRHA-ZETCQYMHSA-N -1 3 408.211 3.959 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N(Cc1c(F)cccc1F)C1CCCC1 ZINC000483569234 996256630 /nfs/dbraw/zinc/25/66/30/996256630.db2.gz SXHKDWIKIDMYBJ-UHFFFAOYSA-N -1 3 403.355 3.756 20 0 HHADHM Cc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(NC(=O)c3ccco3)cc2)cc1F ZINC000475740176 996338956 /nfs/dbraw/zinc/33/89/56/996338956.db2.gz AMMKIODPNAWROW-UHFFFAOYSA-N -1 3 406.410 3.597 20 0 HHADHM COc1cccc(Oc2ncccc2C[N-]S(=O)(=O)c2cc(F)c(C)cc2F)c1 ZINC000475775500 996363595 /nfs/dbraw/zinc/36/35/95/996363595.db2.gz YGAIEMWQTNOYKN-UHFFFAOYSA-N -1 3 420.437 3.948 20 0 HHADHM Cc1c([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)cccc1NC(=O)N(C)C ZINC000475841934 996409468 /nfs/dbraw/zinc/40/94/68/996409468.db2.gz XYMXLNXTJHJTSS-UHFFFAOYSA-N -1 3 403.504 3.603 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CC3CCC(=O)CC3)cc2)cc1 ZINC000476096720 996592581 /nfs/dbraw/zinc/59/25/81/996592581.db2.gz XFPNLTJBVHGPQZ-UHFFFAOYSA-N -1 3 400.500 3.884 20 0 HHADHM CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000476133501 996623372 /nfs/dbraw/zinc/62/33/72/996623372.db2.gz DESHJIFZHPMJKX-QGZVFWFLSA-N -1 3 423.366 3.717 20 0 HHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000476136421 996625829 /nfs/dbraw/zinc/62/58/29/996625829.db2.gz FMYCZVDYEGALSW-SECBINFHSA-N -1 3 400.303 3.681 20 0 HHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1nc2cccc(Cl)c2n1C ZINC000476195375 996669848 /nfs/dbraw/zinc/66/98/48/996669848.db2.gz QIQFYSHFJURCGT-UHFFFAOYSA-N 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/nfs/dbraw/zinc/46/89/70/1010468970.db2.gz MXNSFSZUZTXXJY-UHFFFAOYSA-N -1 3 421.478 3.649 20 0 HHADHM COc1ccc2cccc(Cc3noc(-c4ccc([N-]S(C)(=O)=O)cc4)n3)c2c1 ZINC000545023166 1010563892 /nfs/dbraw/zinc/56/38/92/1010563892.db2.gz XIGPLDZZICXUFR-UHFFFAOYSA-N -1 3 409.467 3.861 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cc(F)c(Br)cc2F)c(C)c1F ZINC000548279467 1010577589 /nfs/dbraw/zinc/57/75/89/1010577589.db2.gz ZYYVYWIWLFZPJM-UHFFFAOYSA-N -1 3 410.211 3.984 20 0 HHADHM Brc1cccc(-c2nc(-c3noc([C@@H]4OCCc5ccccc54)n3)n[n-]2)c1 ZINC000551436792 1010585242 /nfs/dbraw/zinc/58/52/42/1010585242.db2.gz YUWITUWEMKFZPD-OAHLLOKOSA-N -1 3 424.258 3.946 20 0 HHADHM COc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccc(Cl)cc3)n2)cc1C ZINC000545082478 1010601620 /nfs/dbraw/zinc/60/16/20/1010601620.db2.gz OHMKTNPXNMTVLA-LBPRGKRZSA-N -1 3 407.879 3.747 20 0 HHADHM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCN(C(C)=O)CC3)cc1 ZINC000551467014 1010603416 /nfs/dbraw/zinc/60/34/16/1010603416.db2.gz NOFCOXWQKOWORI-MRXNPFEDSA-N -1 3 416.543 3.612 20 0 HHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nc(CCCc2ccsc2)no1 ZINC000545091138 1010609349 /nfs/dbraw/zinc/60/93/49/1010609349.db2.gz FQFXZOKVTLUQAK-GFCCVEGCSA-N -1 3 411.936 3.999 20 0 HHADHM C[C@@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)Nc2cccc([O-])c2F)cc1 ZINC000551487219 1010617574 /nfs/dbraw/zinc/61/75/74/1010617574.db2.gz MVLABKIJUWDYKH-GASCZTMLSA-N -1 3 400.450 3.952 20 0 HHADHM O=S(=O)([N-]CCc1ccc2c(c1)CCO2)c1cccc(Br)c1Cl ZINC000551502952 1010626298 /nfs/dbraw/zinc/62/62/98/1010626298.db2.gz SCCTVPLUZRYWKU-UHFFFAOYSA-N -1 3 416.724 3.558 20 0 HHADHM C[C@H](CCc1cccn1C)[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000551512036 1010629994 /nfs/dbraw/zinc/62/99/94/1010629994.db2.gz DLIJWCMOIYZOGR-LLVKDONJSA-N -1 3 405.745 3.741 20 0 HHADHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(Oc2cccc(C(N)=O)c2)cc1 ZINC000521851052 1010659869 /nfs/dbraw/zinc/65/98/69/1010659869.db2.gz JVYAKWQXYGRIKT-UHFFFAOYSA-N -1 3 400.431 3.826 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CCCC[C@@H]1c1ccccc1 ZINC000545286303 1010715832 /nfs/dbraw/zinc/71/58/32/1010715832.db2.gz FZNYFWCZCVJCQY-OAQYLSRUSA-N -1 3 402.498 3.827 20 0 HHADHM COc1ccc(C2(C(=O)NCc3ccc([O-])c(Br)c3)CCOCC2)cc1 ZINC000545291858 1010718025 /nfs/dbraw/zinc/71/80/25/1010718025.db2.gz WXOUAHVXRLVTDT-UHFFFAOYSA-N -1 3 420.303 3.528 20 0 HHADHM O=S(=O)([N-]c1ccc2nc(C(F)F)[nH]c2c1)c1ccccc1Cn1ccnc1 ZINC000545382239 1010765176 /nfs/dbraw/zinc/76/51/76/1010765176.db2.gz SCXRDHCGCGIDLK-UHFFFAOYSA-N -1 3 403.414 3.546 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@H](C)C(C)(C)c1ccccc1 ZINC000522126689 1010825024 /nfs/dbraw/zinc/82/50/24/1010825024.db2.gz ILYQZFRNOOBWHP-KRWDZBQOSA-N -1 3 404.514 3.555 20 0 HHADHM COc1ccc(C)cc1-n1ccc(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)n1 ZINC000522259858 1010892865 /nfs/dbraw/zinc/89/28/65/1010892865.db2.gz NWVLYYRBZSGGJT-UHFFFAOYSA-N -1 3 415.453 3.500 20 0 HHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1 ZINC000522262721 1010894036 /nfs/dbraw/zinc/89/40/36/1010894036.db2.gz PYSINZCCUHQKNJ-CYBMUJFWSA-N -1 3 411.405 3.556 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNCc3cnn(C(C)C)c3)c2)cc1 ZINC000522369759 1010962589 /nfs/dbraw/zinc/96/25/89/1010962589.db2.gz TXINKHJUYKKZGX-UHFFFAOYSA-N -1 3 414.531 3.563 20 0 HHADHM COCCOc1ccc([N-]S(=O)(=O)c2cc(C)c(Br)cc2C)cc1 ZINC000522651021 1011138136 /nfs/dbraw/zinc/13/81/36/1011138136.db2.gz WIYBWCXUSCUSHF-UHFFFAOYSA-N -1 3 414.321 3.892 20 0 HHADHM Cc1nc(C)c(CCC(=O)Nc2cccc(C[S@@](=O)C3CCCCC3)c2)c(=O)[n-]1 ZINC000522651235 1011138600 /nfs/dbraw/zinc/13/86/00/1011138600.db2.gz FWYSLMTVBXHHHQ-GDLZYMKVSA-N -1 3 415.559 3.952 20 0 HHADHM CCOC(=O)Cn1ccc2cc([N-]S(=O)(=O)c3c(C)cc(OC)cc3C)ccc21 ZINC000522703617 1011167908 /nfs/dbraw/zinc/16/79/08/1011167908.db2.gz LBKJNCWNAPLMOE-UHFFFAOYSA-N -1 3 416.499 3.631 20 0 HHADHM O=S(=O)([N-]CCc1ccc(OC(F)F)cc1)c1cc(Br)ccc1F ZINC000522775132 1011209471 /nfs/dbraw/zinc/20/94/71/1011209471.db2.gz LQENABJOJDTOAR-UHFFFAOYSA-N -1 3 424.238 3.711 20 0 HHADHM COC(=O)c1cccc2[n-]c(NC(=O)Cc3cccc(OCc4cccnc4)c3)nc21 ZINC000536125859 1011248056 /nfs/dbraw/zinc/24/80/56/1011248056.db2.gz SFGSVVXAVWKIEQ-UHFFFAOYSA-N -1 3 416.437 3.505 20 0 HHADHM Cc1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)c[nH]c2=O)c1Br ZINC000536130542 1011254137 /nfs/dbraw/zinc/25/41/37/1011254137.db2.gz MXONOXNHGDSKCB-UHFFFAOYSA-N -1 3 411.199 3.678 20 0 HHADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)cc2C)ccc1C ZINC000522879388 1011323178 /nfs/dbraw/zinc/32/31/78/1011323178.db2.gz JTROQFZFCSZPPN-UHFFFAOYSA-N -1 3 419.572 3.616 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@H]3CC=CCC3)c2)cc1 ZINC000522911807 1011358281 /nfs/dbraw/zinc/35/82/81/1011358281.db2.gz LVKQIFSKTDLRHL-INIZCTEOSA-N -1 3 400.500 3.643 20 0 HHADHM CCCC[C@H](COC)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000522914215 1011359847 /nfs/dbraw/zinc/35/98/47/1011359847.db2.gz XQYPQQWSYWRTHJ-MRXNPFEDSA-N -1 3 422.522 3.870 20 0 HHADHM CC(C)(NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)c1cccc(F)c1 ZINC000522939300 1011381848 /nfs/dbraw/zinc/38/18/48/1011381848.db2.gz NOVSZJZUCBSFCN-UHFFFAOYSA-N -1 3 419.453 3.759 20 0 HHADHM Cc1cc(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)c2c(n1)onc2C(C)C ZINC000523032351 1011501639 /nfs/dbraw/zinc/50/16/39/1011501639.db2.gz NIYBEHWUXAXZBR-UHFFFAOYSA-N -1 3 403.442 3.966 20 0 HHADHM CC(=O)CCc1ccc(OCCC(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)cc1 ZINC000523037832 1011507401 /nfs/dbraw/zinc/50/74/01/1011507401.db2.gz XJKSJPSGDCUJCR-UHFFFAOYSA-N -1 3 419.481 3.675 20 0 HHADHM CCOC(=O)c1ccc(NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)c([O-])c1 ZINC000536335479 1011536439 /nfs/dbraw/zinc/53/64/39/1011536439.db2.gz FPWSQKKAZXXSLQ-UHFFFAOYSA-N -1 3 415.833 3.844 20 0 HHADHM CCc1cccc2c1N(C(=O)c1cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]1)CC2 ZINC000523071011 1011540732 /nfs/dbraw/zinc/54/07/32/1011540732.db2.gz CYHWASSMYIUSEW-UHFFFAOYSA-N -1 3 413.474 3.720 20 0 HHADHM COCCOc1ccc(S(=O)(=O)[N-]c2cccc3c2CN(CC(C)C)C3)cc1C ZINC000540902651 1011575841 /nfs/dbraw/zinc/57/58/41/1011575841.db2.gz GUTBKAXJDKXIDL-UHFFFAOYSA-N -1 3 418.559 3.793 20 0 HHADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(CC)c2cccc(F)c2)cc1 ZINC000523123604 1011589823 /nfs/dbraw/zinc/58/98/23/1011589823.db2.gz SKNJONUIQPXGKO-UHFFFAOYSA-N -1 3 414.524 3.583 20 0 HHADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(C)c2)ccc1F ZINC000523124037 1011590276 /nfs/dbraw/zinc/59/02/76/1011590276.db2.gz OTSPSQDHARFULC-UHFFFAOYSA-N -1 3 420.384 3.834 20 0 HHADHM C[C@@H]([N-]S(=O)(=O)Cc1noc2ccccc21)c1noc(-c2ccc(Cl)cc2)n1 ZINC000541046786 1011686234 /nfs/dbraw/zinc/68/62/34/1011686234.db2.gz JXPIYHXPISSURS-LLVKDONJSA-N -1 3 418.862 3.712 20 0 HHADHM Cc1cccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(S(C)(=O)=O)cc3)cc2)c1 ZINC000523288091 1011767630 /nfs/dbraw/zinc/76/76/30/1011767630.db2.gz VCCKORNDMRKJTH-UHFFFAOYSA-N -1 3 417.508 3.992 20 0 HHADHM CCOc1ccc(Nc2ncccc2C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000523391167 1011869044 /nfs/dbraw/zinc/86/90/44/1011869044.db2.gz RXQQPXGVTBUIFZ-UHFFFAOYSA-N -1 3 401.430 3.656 20 0 HHADHM CCOc1ccc(Nc2ncccc2C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000523391167 1011869060 /nfs/dbraw/zinc/86/90/60/1011869060.db2.gz RXQQPXGVTBUIFZ-UHFFFAOYSA-N -1 3 401.430 3.656 20 0 HHADHM Cc1ccc(C[C@H](C)NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)s1 ZINC000523405543 1011884739 /nfs/dbraw/zinc/88/47/39/1011884739.db2.gz LCXPPAVQOHMQBJ-LBPRGKRZSA-N -1 3 421.519 3.686 20 0 HHADHM CCc1c(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)cnn1Cc1ccccc1 ZINC000523417985 1011901420 /nfs/dbraw/zinc/90/14/20/1011901420.db2.gz JLTVNPICZOQVNO-UHFFFAOYSA-N -1 3 413.481 3.805 20 0 HHADHM Cc1cc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)c2cc(Br)ccc2n1 ZINC000551827584 1011984991 /nfs/dbraw/zinc/98/49/91/1011984991.db2.gz RVNIUMQPQMQWQF-UHFFFAOYSA-N -1 3 400.158 3.695 20 0 HHADHM Cc1cc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)c2cc(Br)ccc2n1 ZINC000551827584 1011985003 /nfs/dbraw/zinc/98/50/03/1011985003.db2.gz RVNIUMQPQMQWQF-UHFFFAOYSA-N -1 3 400.158 3.695 20 0 HHADHM Cc1[nH]c(=O)c(Br)cc1C(=O)Nc1ccc(Br)cc1[O-] ZINC000551918591 1012024503 /nfs/dbraw/zinc/02/45/03/1012024503.db2.gz COVWXTPEIGDFIF-UHFFFAOYSA-N -1 3 402.042 3.579 20 0 HHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CC(C(F)(F)F)C3)c2)cc1 ZINC000551989361 1012037414 /nfs/dbraw/zinc/03/74/14/1012037414.db2.gz ASMAFEZZAVNWNA-UHFFFAOYSA-N -1 3 412.433 3.739 20 0 HHADHM O=C(c1c[n-]c2ccc(I)cc2c1=O)N1CCC[C@@H]2CCC[C@H]21 ZINC000536816884 1012042180 /nfs/dbraw/zinc/04/21/80/1012042180.db2.gz OHZBFOPSAPIPCD-MEDUHNTESA-N -1 3 422.266 3.537 20 0 HHADHM O=S(=O)([N-]Cc1ccccc1OCC1CC1)c1cc(Br)ccc1F ZINC000523518552 1012043232 /nfs/dbraw/zinc/04/32/32/1012043232.db2.gz GJRZYYJKOWJRDE-UHFFFAOYSA-N -1 3 414.296 3.856 20 0 HHADHM O=S(=O)([N-][C@@H](c1ccccc1)[C@@H]1CCCO1)c1cccc(Br)c1F ZINC000541391802 1012115537 /nfs/dbraw/zinc/11/55/37/1012115537.db2.gz AXTKAPGHRRVOCC-YOEHRIQHSA-N -1 3 414.296 3.787 20 0 HHADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CCC=C(c2cccnc2)C1 ZINC000552273184 1012286459 /nfs/dbraw/zinc/28/64/59/1012286459.db2.gz WHRFQUAXBXJQLI-UHFFFAOYSA-N -1 3 410.271 3.615 20 0 HHADHM Cc1nc(C)c(CNC(=O)c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)ccc2C)o1 ZINC000552287102 1012299326 /nfs/dbraw/zinc/29/93/26/1012299326.db2.gz IOLIKERFPSRMIE-UHFFFAOYSA-N -1 3 413.499 3.639 20 0 HHADHM COC(=O)c1sc2[n-]c(CN[C@H](C)c3cccc(OC(F)F)c3)nc(=O)c2c1C ZINC000537019427 1012325541 /nfs/dbraw/zinc/32/55/41/1012325541.db2.gz YVFOIPGUIZRMFX-SNVBAGLBSA-N -1 3 423.441 3.532 20 0 HHADHM C[S@](=O)Cc1cccc([N-]S(=O)(=O)c2ccc(OCc3ccccc3)cc2)c1 ZINC000523727394 1012342063 /nfs/dbraw/zinc/34/20/63/1012342063.db2.gz RVLXAJZRTDPIEH-MHZLTWQESA-N -1 3 415.536 3.945 20 0 HHADHM CCc1ccc(NC(=O)C(=O)NCc2ccc([O-])c(Br)c2)cc1CC ZINC000537072656 1012412787 /nfs/dbraw/zinc/41/27/87/1012412787.db2.gz QKVCVBBPTHYGGK-UHFFFAOYSA-N -1 3 405.292 3.534 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@H](c2ncccc2C)C(C)C)cc1OC ZINC000523788748 1012443416 /nfs/dbraw/zinc/44/34/16/1012443416.db2.gz KSYLRVNVNZHPBA-SFHVURJKSA-N -1 3 420.535 3.679 20 0 HHADHM CSc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)nc1 ZINC000523855270 1012551095 /nfs/dbraw/zinc/55/10/95/1012551095.db2.gz GDOXOEHNSWUOOQ-UHFFFAOYSA-N -1 3 417.487 3.996 20 0 HHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000537182816 1012592071 /nfs/dbraw/zinc/59/20/71/1012592071.db2.gz FABIYHWLJCLSKE-WMZOPIPTSA-N -1 3 411.401 3.967 20 0 HHADHM Cc1cccc([C@@H](C)C(=O)NCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC000552642057 1012641851 /nfs/dbraw/zinc/64/18/51/1012641851.db2.gz WQIIJSCLDWHEMW-CYBMUJFWSA-N -1 3 415.342 3.500 20 0 HHADHM O=S(=O)([N-]c1ccc(F)cc1Cl)c1cc(Br)cc2c1OCC2 ZINC000541800107 1012677997 /nfs/dbraw/zinc/67/79/97/1012677997.db2.gz SHAMCIFGTKTSJR-UHFFFAOYSA-N -1 3 406.660 3.977 20 0 HHADHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cccc(CS(C)(=O)=O)c2C)c(C)c1C ZINC000523957158 1012699257 /nfs/dbraw/zinc/69/92/57/1012699257.db2.gz PSCAPGATFGKUEN-UHFFFAOYSA-N -1 3 409.573 3.883 20 0 HHADHM CO[C@@H](c1ccccc1F)[C@H](C)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000537267504 1012719766 /nfs/dbraw/zinc/71/97/66/1012719766.db2.gz NFTGGRROJLBGPK-APPDUMDISA-N -1 3 411.271 3.869 20 0 HHADHM CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000537267508 1012720075 /nfs/dbraw/zinc/72/00/75/1012720075.db2.gz NFTGGRROJLBGPK-PIGZYNQJSA-N -1 3 411.271 3.869 20 0 HHADHM CC(C)(O)CN(Cc1ccccc1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000537277826 1012732798 /nfs/dbraw/zinc/73/27/98/1012732798.db2.gz AUOIORLWAWWEKB-UHFFFAOYSA-N -1 3 407.308 3.637 20 0 HHADHM Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1c([O-])cccc1Cl ZINC000552779915 1012784449 /nfs/dbraw/zinc/78/44/49/1012784449.db2.gz MUJHOYHJDRUKLN-UHFFFAOYSA-N -1 3 408.907 3.781 20 0 HHADHM C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2c([O-])cccc2Cl)cc1 ZINC000552783448 1012789405 /nfs/dbraw/zinc/78/94/05/1012789405.db2.gz WTVFBNPFJZUXOY-CYBMUJFWSA-N -1 3 408.907 3.861 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N[C@H]1CCCSC1 ZINC000552850317 1012855441 /nfs/dbraw/zinc/85/54/41/1012855441.db2.gz XXQCGUCFNCLAMY-AWEZNQCLSA-N -1 3 408.520 3.560 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CC[C@@H](C)OC)ccc2C)cc1 ZINC000542019843 1012912063 /nfs/dbraw/zinc/91/20/63/1012912063.db2.gz OYFISHUOSRSJAI-MRXNPFEDSA-N -1 3 420.531 3.948 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCN(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)o1 ZINC000537436093 1012925368 /nfs/dbraw/zinc/92/53/68/1012925368.db2.gz ZEZWXPHHRIIXGM-WMZOPIPTSA-N -1 3 400.903 3.883 20 0 HHADHM CCN1CC[C@@H](NC(=O)NCc2ccc([O-])c(F)c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542044860 1012949557 /nfs/dbraw/zinc/94/95/57/1012949557.db2.gz LRKSUNNTNAAJLJ-APWZRJJASA-N -1 3 411.399 3.583 20 0 HHADHM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1)c1ccco1 ZINC000542049425 1012958119 /nfs/dbraw/zinc/95/81/19/1012958119.db2.gz GLZUIUGYTSWEJB-QGZVFWFLSA-N -1 3 412.389 3.770 20 0 HHADHM CC(C)[C@@](C)(Cc1ccccc1)C(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O ZINC001126991403 1071759831 /nfs/dbraw/zinc/75/98/31/1071759831.db2.gz GAEBZROPLHXYEQ-OAQYLSRUSA-N -1 3 406.523 3.718 20 0 HHADHM COC(=O)CCc1ccc([N-]S(=O)(=O)c2ccc(OC3CCCC3)cc2)cc1 ZINC000729667653 1071786702 /nfs/dbraw/zinc/78/67/02/1071786702.db2.gz QRJYCNVGDJEMHG-UHFFFAOYSA-N -1 3 403.500 3.914 20 0 HHADHM COc1cccc([O-])c1C(=O)N1C[C@@H]2CCCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC001648988715 1071842663 /nfs/dbraw/zinc/84/26/63/1071842663.db2.gz ARRNPTGVASZDEE-NYHFZMIOSA-N -1 3 404.507 3.558 20 0 HHADHM O=S(=O)([N-]CCc1cnc(SC2CCCC2)nc1)c1ccc(Cl)cc1F ZINC001211995672 1071859777 /nfs/dbraw/zinc/85/97/77/1071859777.db2.gz JEZHDUHWKVEXSZ-UHFFFAOYSA-N -1 3 415.943 3.825 20 0 HHADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCN(c3ccccc3F)C2)sc1Br ZINC001212046166 1071930636 /nfs/dbraw/zinc/93/06/36/1071930636.db2.gz WNOBZGIBAUYNDQ-NSHDSACASA-N -1 3 419.341 3.515 20 0 HHADHM O=C([N-]Cc1ccc2c(c1)CCS2(=O)=O)C(F)(F)c1cc(Cl)ccc1Cl ZINC001126998378 1071979767 /nfs/dbraw/zinc/97/97/67/1071979767.db2.gz ONMWAZWIORGGNG-UHFFFAOYSA-N -1 3 420.264 3.731 20 0 HHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C1CCC(O)(c2ccccc2)CC1 ZINC000760615045 1072041832 /nfs/dbraw/zinc/04/18/32/1072041832.db2.gz 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CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)Cc1cccc(Cl)c1 ZINC000591368171 1074268851 /nfs/dbraw/zinc/26/88/51/1074268851.db2.gz WFKZZJLKROTNOE-UHFFFAOYSA-N -1 3 406.813 3.912 20 0 HHADHM CC(C)(C)c1csc(CC[N-]S(=O)(=O)c2ccc(Br)s2)n1 ZINC000591398820 1074292754 /nfs/dbraw/zinc/29/27/54/1074292754.db2.gz PBPFNAWLRAUDBD-UHFFFAOYSA-N -1 3 409.396 3.786 20 0 HHADHM CS[C@@H]1CC[C@@H](NC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)C1 ZINC000760839341 1074362439 /nfs/dbraw/zinc/36/24/39/1074362439.db2.gz RJIDIDRIAGWNIX-NXEZZACHSA-N -1 3 415.740 3.958 20 0 HHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3CC=C(c4ccccc4)C3)cs2)c1 ZINC000760944566 1074698620 /nfs/dbraw/zinc/69/86/20/1074698620.db2.gz RPHPMFNJQLGWGY-UHFFFAOYSA-N -1 3 419.506 3.878 20 0 HHADHM CC[C@@H](C)Oc1cccc(NC(=O)C(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000573985910 1074748684 /nfs/dbraw/zinc/74/86/84/1074748684.db2.gz KULIMFLSBYDTRR-GFCCVEGCSA-N -1 3 421.291 3.587 20 0 HHADHM O=C(NCC1CCN(Cc2ccccc2Cl)CC1)c1cc(=O)c2ccccc2[n-]1 ZINC000592792070 1075111881 /nfs/dbraw/zinc/11/18/81/1075111881.db2.gz INPXTSTTWGDUNS-UHFFFAOYSA-N -1 3 409.917 3.824 20 0 HHADHM C[C@H]([N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2)c1nc(C(C)(C)C)cs1 ZINC000592819812 1075122770 /nfs/dbraw/zinc/12/27/70/1075122770.db2.gz AZPSNDUJUZNPAI-JTQLQIEISA-N -1 3 411.524 3.504 20 0 HHADHM COc1cc(Cl)c(S(=O)(=O)[N-]c2cc(OC)c(OC)cc2F)cc1Cl ZINC000592987022 1075154836 /nfs/dbraw/zinc/15/48/36/1075154836.db2.gz ZFLWCYZSCOAPNY-UHFFFAOYSA-N -1 3 410.250 3.959 20 0 HHADHM COc1ccc(C2=N/C(=C/c3ccc(OC)c([O-])c3Br)C(=O)O2)cc1 ZINC000761016039 1075189852 /nfs/dbraw/zinc/18/98/52/1075189852.db2.gz UDDSPKWTJCEVGX-UKTHLTGXSA-N -1 3 404.216 3.516 20 0 HHADHM COc1ccc(/C=C2/N=C(c3ccc(F)c(F)c3)OC2=O)c(Br)c1[O-] ZINC000761016152 1075191386 /nfs/dbraw/zinc/19/13/86/1075191386.db2.gz UKZRVIZVHPQDBF-KPKJPENVSA-N -1 3 410.170 3.786 20 0 HHADHM CCOCc1ccccc1CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000574543583 1075284900 /nfs/dbraw/zinc/28/49/00/1075284900.db2.gz YUOXQNGCWNAXQH-UHFFFAOYSA-N -1 3 415.287 3.757 20 0 HHADHM Cc1cc(C(=O)COC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c(Cl)cc1F ZINC000761081748 1075371628 /nfs/dbraw/zinc/37/16/28/1075371628.db2.gz XALNCIPSOSQEMD-KRWDZBQOSA-N -1 3 419.836 3.524 20 0 HHADHM COc1ccc(-c2nc(CS(=O)(=O)c3nc(CCC4CCCC4)n[n-]3)co2)cc1 ZINC000595031295 1075394243 /nfs/dbraw/zinc/39/42/43/1075394243.db2.gz BQGRIAVDWXEWBL-UHFFFAOYSA-N -1 3 416.503 3.565 20 0 HHADHM COc1ccc(-c2nc(CS(=O)(=O)c3nnc(CCC4CCCC4)[n-]3)co2)cc1 ZINC000595031295 1075394250 /nfs/dbraw/zinc/39/42/50/1075394250.db2.gz BQGRIAVDWXEWBL-UHFFFAOYSA-N -1 3 416.503 3.565 20 0 HHADHM O=S(=O)(Cc1coc(-c2ccc(F)cc2)n1)c1nc(CCC2CCCC2)n[n-]1 ZINC000595031333 1075394270 /nfs/dbraw/zinc/39/42/70/1075394270.db2.gz HBVKDSOWXVPYHN-UHFFFAOYSA-N -1 3 404.467 3.696 20 0 HHADHM O=S(=O)(Cc1coc(-c2ccc(F)cc2)n1)c1nnc(CCC2CCCC2)[n-]1 ZINC000595031333 1075394274 /nfs/dbraw/zinc/39/42/74/1075394274.db2.gz HBVKDSOWXVPYHN-UHFFFAOYSA-N -1 3 404.467 3.696 20 0 HHADHM COc1cc2nc([N-]S(=O)(=O)Cc3c(Cl)cccc3Cl)[nH]c2cc1OC ZINC000574993721 1075439828 /nfs/dbraw/zinc/43/98/28/1075439828.db2.gz TXLWUYQZLIYFME-UHFFFAOYSA-N -1 3 416.286 3.829 20 0 HHADHM Cc1ccc(C(=O)N[C@H](CC(=O)Nc2n[n-]c(-c3ccco3)n2)c2ccccc2)cc1 ZINC000596719779 1075579396 /nfs/dbraw/zinc/57/93/96/1075579396.db2.gz CZSFANJHOMXZKP-GOSISDBHSA-N -1 3 415.453 3.873 20 0 HHADHM Cc1cc(Oc2ccccc2)ccc1[N-]S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000596931298 1075605440 /nfs/dbraw/zinc/60/54/40/1075605440.db2.gz DOBQGKDUOFAMIM-UHFFFAOYSA-N -1 3 410.451 3.919 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccc(C(N)=O)c3)cc2)cc1F ZINC000597678151 1075690521 /nfs/dbraw/zinc/69/05/21/1075690521.db2.gz KFOXXSJXEGHXNY-UHFFFAOYSA-N -1 3 416.430 3.526 20 0 HHADHM O=C([O-])[C@@]1(NC(=O)CCCc2ccc(F)c(F)c2)CCCN(Cc2ccccc2)C1 ZINC001123372932 939823610 /nfs/dbraw/zinc/82/36/10/939823610.db2.gz ZMQWVNRDITXXFT-HSZRJFAPSA-N -1 3 416.468 3.523 20 0 HHADHM O=C([O-])[C@]1(NC(=O)c2ccc3ccc(Cl)cc3n2)CCCN(Cc2ccccc2)C1 ZINC001263628534 939828533 /nfs/dbraw/zinc/82/85/33/939828533.db2.gz ZSSOYZONEZKNIB-QHCPKHFHSA-N -1 3 423.900 3.737 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(NCC3CCN(C(=O)c4ccccc4)CC3)nc2)n1 ZINC000301369526 970891793 /nfs/dbraw/zinc/89/17/93/970891793.db2.gz PJLYXSLKNIWULY-UHFFFAOYSA-N -1 3 417.513 3.771 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC(n4ccc(C(F)(F)F)n4)CC3)nc2)n1 ZINC000302074273 971169361 /nfs/dbraw/zinc/16/93/61/971169361.db2.gz VNRSFNHURYMUDI-UHFFFAOYSA-N -1 3 418.423 3.863 20 0 HHADHM Cc1c([O-])ccc2c(CN3CCN(c4nc5ccccc5s4)CC3)cc(=O)oc12 ZINC000302839223 971345463 /nfs/dbraw/zinc/34/54/63/971345463.db2.gz VSCDLXJHADONRS-UHFFFAOYSA-N -1 3 407.495 3.739 20 0 HHADHM O=S(=O)([N-]CCC(F)(F)F)c1cc(C(F)(F)F)ccc1Br ZINC000542140881 1013074365 /nfs/dbraw/zinc/07/43/65/1013074365.db2.gz RPUOJSLJVQTJBW-UHFFFAOYSA-N -1 3 400.138 3.699 20 0 HHADHM CCOC(=O)[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)Cc1ccccc1 ZINC000303067459 971486387 /nfs/dbraw/zinc/48/63/87/971486387.db2.gz NPAFLCWISZKFAI-AWEZNQCLSA-N -1 3 416.326 3.694 20 0 HHADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N[C@@H](c1ccccc1)C1CCCC1 ZINC000303082706 971494872 /nfs/dbraw/zinc/49/48/72/971494872.db2.gz FHMPGBUWEFHQMG-SFHVURJKSA-N -1 3 412.964 3.728 20 0 HHADHM CC(C)(C)[C@@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000303096155 971501377 /nfs/dbraw/zinc/50/13/77/971501377.db2.gz JOHQVZRYPUYKCU-INIZCTEOSA-N -1 3 400.953 3.583 20 0 HHADHM COc1ccccc1COc1cccc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)c1C ZINC000553135289 1013094932 /nfs/dbraw/zinc/09/49/32/1013094932.db2.gz YSPKJLLVURWURC-CQSZACIVSA-N -1 3 408.376 3.960 20 0 HHADHM CC[C@@H]1CCc2nc([N-]C(=O)c3sccc3S(=O)(=O)C(F)F)sc2C1 ZINC000303318292 971625734 /nfs/dbraw/zinc/62/57/34/971625734.db2.gz STXBUHCDAQRVEF-MRVPVSSYSA-N -1 3 406.501 3.968 20 0 HHADHM CSCCc1ccc(NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)cc1 ZINC000524291204 1013098555 /nfs/dbraw/zinc/09/85/55/1013098555.db2.gz LNGWFRCQJBPRHJ-UHFFFAOYSA-N -1 3 408.527 3.617 20 0 HHADHM O=S(=O)([N-][C@@H]1CCCN(Cc2c(F)cccc2F)C1)c1ccc(Cl)s1 ZINC000303508340 971807928 /nfs/dbraw/zinc/80/79/28/971807928.db2.gz WKBGRZNYVMDBCR-LLVKDONJSA-N -1 3 406.907 3.623 20 0 HHADHM COc1cccc(N2CCC[C@@H]([N-]S(=O)(=O)c3c(Cl)cccc3Cl)C2)c1 ZINC000303696764 971969302 /nfs/dbraw/zinc/96/93/02/971969302.db2.gz QTNBXZJMPDZZJS-CYBMUJFWSA-N -1 3 415.342 3.949 20 0 HHADHM CS(=O)(=O)[N-]c1cncc(C(=O)N2CCCCC[C@H]2/C=C\c2cccs2)c1 ZINC000542182751 1013122672 /nfs/dbraw/zinc/12/26/72/1013122672.db2.gz NQVFFDGOYYDPMQ-JJEJIETFSA-N -1 3 405.545 3.613 20 0 HHADHM Cc1sc2nc(CS[C@@H](C)C(=O)NCc3ccc([O-])c(F)c3)[nH]c(=O)c2c1C ZINC000303761913 972011376 /nfs/dbraw/zinc/01/13/76/972011376.db2.gz FFZNNNBPKXRKDY-NSHDSACASA-N -1 3 421.519 3.797 20 0 HHADHM CCc1c(C(=O)[N-]c2nnc(C(F)F)s2)nnn1-c1ccc(OC(C)C)cc1 ZINC000303811606 972045284 /nfs/dbraw/zinc/04/52/84/972045284.db2.gz CTEOOASYSRPGSH-UHFFFAOYSA-N -1 3 408.434 3.658 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H]3CCCOC3)ccc2C)cc1 ZINC000524318278 1013136060 /nfs/dbraw/zinc/13/60/60/1013136060.db2.gz ANRWHFSHWAVIRF-MRXNPFEDSA-N -1 3 418.515 3.560 20 0 HHADHM Cn1c(Cc2cccs2)nc2cc(C(=O)Nc3nnc(C(F)(F)F)[n-]3)ccc21 ZINC000553212042 1013174332 /nfs/dbraw/zinc/17/43/32/1013174332.db2.gz CXNOWHSDGVACEX-UHFFFAOYSA-N -1 3 406.393 3.615 20 0 HHADHM Cn1c(Cc2cccs2)nc2cc(C(=O)Nc3nc(C(F)(F)F)n[n-]3)ccc21 ZINC000553212042 1013174338 /nfs/dbraw/zinc/17/43/38/1013174338.db2.gz CXNOWHSDGVACEX-UHFFFAOYSA-N -1 3 406.393 3.615 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccccc3)ccc2C)cc1 ZINC000003537175 960539344 /nfs/dbraw/zinc/53/93/44/960539344.db2.gz RPAURUBBKGFWOK-UHFFFAOYSA-N -1 3 410.495 3.734 20 0 HHADHM Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000537639820 1013196568 /nfs/dbraw/zinc/19/65/68/1013196568.db2.gz JPZMAZYITPHVHG-UHFFFAOYSA-N -1 3 418.526 3.888 20 0 HHADHM Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000537639820 1013196583 /nfs/dbraw/zinc/19/65/83/1013196583.db2.gz JPZMAZYITPHVHG-UHFFFAOYSA-N -1 3 418.526 3.888 20 0 HHADHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-][C@@H](c2ccccc2)C2CC2)c1 ZINC000303948673 972531035 /nfs/dbraw/zinc/53/10/35/972531035.db2.gz VDGHTBIEBCMFCS-INIZCTEOSA-N -1 3 411.277 3.787 20 0 HHADHM CC1CCC(N(C)C(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)CC1 ZINC000006972470 960963003 /nfs/dbraw/zinc/96/30/03/960963003.db2.gz YBEYUGZROQKMEQ-UHFFFAOYSA-N -1 3 411.531 3.650 20 0 HHADHM Cc1ccc(-n2nnnc2SCc2nc3c4ccccc4oc3c(=O)[n-]2)cc1C ZINC000006999916 960976158 /nfs/dbraw/zinc/97/61/58/960976158.db2.gz GPAQEHUDJKVENE-UHFFFAOYSA-N -1 3 404.455 3.966 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3nc(C)cs3)ccc2C)cc1 ZINC000010555123 961847799 /nfs/dbraw/zinc/84/77/99/961847799.db2.gz IVEIXQGMYBJUGV-UHFFFAOYSA-N -1 3 417.512 3.822 20 0 HHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)Sc3ccc(Cl)nn3)nc(=O)c2c1C ZINC000010653563 961874529 /nfs/dbraw/zinc/87/45/29/961874529.db2.gz PDTGYZMQJFJOJR-MRVPVSSYSA-N -1 3 410.908 3.766 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCC2(c3ccc(F)cc3)CCC2)c1 ZINC000537733570 1013295275 /nfs/dbraw/zinc/29/52/75/1013295275.db2.gz MCHWUBPAHGTYGN-UHFFFAOYSA-N -1 3 423.444 3.932 20 0 HHADHM COCCCOC1(CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)CCCC1 ZINC000542338899 1013296799 /nfs/dbraw/zinc/29/67/99/1013296799.db2.gz XRORBOJDPFKZPK-UHFFFAOYSA-N -1 3 414.531 3.979 20 0 HHADHM CCN(CC)C(=O)c1cccc(NC(=O)COC(=O)c2cc(Cl)c(Cl)[n-]2)c1 ZINC000011810404 962194337 /nfs/dbraw/zinc/19/43/37/962194337.db2.gz KFNXLJAJFGHZOT-UHFFFAOYSA-N -1 3 412.273 3.599 20 0 HHADHM CCOC(=O)c1sc2[n-]c([C@H](C)Sc3nccn3C3CC3)nc(=O)c2c1C ZINC000012646868 962306232 /nfs/dbraw/zinc/30/62/32/962306232.db2.gz YNIOQTYUBZXKCW-JTQLQIEISA-N -1 3 404.517 3.854 20 0 HHADHM C[C@H](OC(=O)c1ccc([N-]S(C)(=O)=O)cc1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000012991123 962358512 /nfs/dbraw/zinc/35/85/12/962358512.db2.gz NJXXKAGKEXULTB-AWEZNQCLSA-N -1 3 403.500 3.784 20 0 HHADHM COc1ccc([C@H](CNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000013191868 962375687 /nfs/dbraw/zinc/37/56/87/962375687.db2.gz SHCPFOUWVWWQQF-JVNGFTGRSA-N -1 3 411.458 3.950 20 0 HHADHM O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N[C@H]1CC12CCCCC2 ZINC000537791017 1013351552 /nfs/dbraw/zinc/35/15/52/1013351552.db2.gz PVKFTESNFIUXOQ-AWEZNQCLSA-N -1 3 405.347 3.501 20 0 HHADHM Cc1nn(C)c(C)c1NC(=O)[C@H](C)Sc1nnc([N-]c2ccccc2F)s1 ZINC000014755957 962570954 /nfs/dbraw/zinc/57/09/54/962570954.db2.gz PJVJZIGOZPGHJQ-NSHDSACASA-N -1 3 406.512 3.890 20 0 HHADHM O=C([N-]c1nc2c(s1)CCCC2)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000014800402 962579384 /nfs/dbraw/zinc/57/93/84/962579384.db2.gz FUSWDZGEKVLIGM-UHFFFAOYSA-N -1 3 411.574 3.510 20 0 HHADHM CCCc1c(NC(=O)c2c(C)[n-]c(=O)nc2SC)cnn1-c1cccc(F)c1 ZINC000542418374 1013369935 /nfs/dbraw/zinc/36/99/35/1013369935.db2.gz OGMDSQHAUADUMA-UHFFFAOYSA-N -1 3 401.467 3.742 20 0 HHADHM C=CCc1ccc(OCC(=O)N[N-]C(=O)c2ccc(Cl)cc2Cl)c(OC)c1 ZINC000015621493 962818370 /nfs/dbraw/zinc/81/83/70/962818370.db2.gz RNFXOGQLHOJTBG-UHFFFAOYSA-N -1 3 409.269 3.571 20 0 HHADHM COc1ccc(NC(=O)c2ccncc2)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000015897992 962893466 /nfs/dbraw/zinc/89/34/66/962893466.db2.gz GIIQNBGFRXMXCQ-UHFFFAOYSA-N -1 3 417.874 3.797 20 0 HHADHM COc1ccc(NC(=O)c2ccccn2)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000015897989 962893701 /nfs/dbraw/zinc/89/37/01/962893701.db2.gz OSVMAKRQLZDKFR-UHFFFAOYSA-N -1 3 417.874 3.797 20 0 HHADHM O=C(Cc1c[nH]c2ccccc12)N[N-]C(=O)c1cc(Br)ccc1Cl ZINC000016073565 962933238 /nfs/dbraw/zinc/93/32/38/962933238.db2.gz FFACBZTYFBNICA-UHFFFAOYSA-N -1 3 406.667 3.588 20 0 HHADHM C[C@@H]1CN(C(=O)c2c[n-]c3ccc(I)cc3c2=O)CC(C)(C)C1 ZINC000542439109 1013389681 /nfs/dbraw/zinc/38/96/81/1013389681.db2.gz AQYFGHMNJFAEED-NSHDSACASA-N -1 3 424.282 3.641 20 0 HHADHM CCc1cc2c(CSc3nnc(NC[C@@H]4CCCO4)s3)cc(=O)oc2cc1[O-] ZINC000016331367 963017631 /nfs/dbraw/zinc/01/76/31/963017631.db2.gz LOCWTRJVPPIJJJ-ZDUSSCGKSA-N -1 3 419.528 3.796 20 0 HHADHM Cc1ccc([C@@H]2OCCC[C@@H]2[N-]S(=O)(=O)c2cccnc2C(F)(F)F)cc1 ZINC000553488566 1013393041 /nfs/dbraw/zinc/39/30/41/1013393041.db2.gz ACWQIGURRPCLNB-HOCLYGCPSA-N -1 3 400.422 3.607 20 0 HHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N(C)Cc3ccc(F)cc3)nc(=O)c2c1C ZINC000016632687 963077270 /nfs/dbraw/zinc/07/72/70/963077270.db2.gz IKXOURLKRBUQPB-GFCCVEGCSA-N -1 3 403.479 3.802 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3nccs3)ccc2C)cc1 ZINC000016641392 963080112 /nfs/dbraw/zinc/08/01/12/963080112.db2.gz QUGCGXKIUNIXCW-UHFFFAOYSA-N -1 3 403.485 3.513 20 0 HHADHM C[C@H](CN(C)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)c1nccs1 ZINC000542447486 1013396131 /nfs/dbraw/zinc/39/61/31/1013396131.db2.gz VZTHRBDLNUJHHK-SNVBAGLBSA-N -1 3 406.305 3.623 20 0 HHADHM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)ccc1NC(=O)c1ccco1 ZINC000537837496 1013399252 /nfs/dbraw/zinc/39/92/52/1013399252.db2.gz VBWHXELFZCLUQA-UHFFFAOYSA-N -1 3 412.467 3.966 20 0 HHADHM O=C([N-]NC(=O)c1cc(-c2cccnc2)nc2ccccc21)c1ccc2ccccc2n1 ZINC000017399676 963199898 /nfs/dbraw/zinc/19/98/98/963199898.db2.gz NGRZJTWYFHEUMY-UHFFFAOYSA-N -1 3 419.444 3.920 20 0 HHADHM Cn1ccnc1[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)c1ccccc1F ZINC000017522122 963208466 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HHADHM O=C(OCc1c(Cl)ccc2cccnc21)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000046332537 967744992 /nfs/dbraw/zinc/74/49/92/967744992.db2.gz TXMFOEFNVYWNMZ-GOSISDBHSA-N -1 3 410.857 3.942 20 0 HHADHM O=C(OCc1coc(-c2ccc(F)cc2)n1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000046332971 967745796 /nfs/dbraw/zinc/74/57/96/967745796.db2.gz JNCRFCOTGXWGCJ-GOSISDBHSA-N -1 3 410.401 3.534 20 0 HHADHM COc1cc[n-]c(=NNC(=O)C=Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000046363912 967765587 /nfs/dbraw/zinc/76/55/87/967765587.db2.gz BCVVEUPLVRTGLL-NSCUHMNNSA-N -1 3 406.286 3.679 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)COc3cccc(F)c3)cc2)cc1 ZINC000046462603 967813160 /nfs/dbraw/zinc/81/31/60/967813160.db2.gz DFYGXDJFOBQVFH-UHFFFAOYSA-N -1 3 414.458 3.952 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)cc1 ZINC000046462662 967813264 /nfs/dbraw/zinc/81/32/64/967813264.db2.gz SEFDYXASDJPIJG-UHFFFAOYSA-N -1 3 410.451 3.777 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)NCCSC(C)C ZINC000554018896 1013757532 /nfs/dbraw/zinc/75/75/32/1013757532.db2.gz KYHIAEBTLJDQEP-UHFFFAOYSA-N -1 3 410.536 3.806 20 0 HHADHM CC[C@@](C)(CO)NC(=O)c1ccc(C)c([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000542921831 1013758086 /nfs/dbraw/zinc/75/80/86/1013758086.db2.gz CNANUNHGSVFWNX-QFIPXVFZSA-N -1 3 418.559 3.612 20 0 HHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1ccccc1SC(F)F ZINC000047327875 968140008 /nfs/dbraw/zinc/14/00/08/968140008.db2.gz QAGAFGGCKLTCBK-UHFFFAOYSA-N -1 3 402.426 3.636 20 0 HHADHM CC(C)c1nc2cc(NC(=O)c3ccc(F)c(S(=O)(=O)[N-]C4CC4)c3)ccc2o1 ZINC000047688693 968275523 /nfs/dbraw/zinc/27/55/23/968275523.db2.gz YAYQPQNHLWRTHN-UHFFFAOYSA-N -1 3 417.462 3.783 20 0 HHADHM Cc1ccc(-c2cc(C(=O)[N-]c3nc4ccc(S(C)(=O)=O)cc4s3)on2)cc1 ZINC000047902633 968357091 /nfs/dbraw/zinc/35/70/91/968357091.db2.gz RKVYUCGYUKTRPL-UHFFFAOYSA-N -1 3 413.480 3.916 20 0 HHADHM C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])c1cccc(C(F)(F)F)c1 ZINC000048016549 968391131 /nfs/dbraw/zinc/39/11/31/968391131.db2.gz JKPSUSOPMUQQQW-DYVFJYSZSA-N -1 3 406.404 3.893 20 0 HHADHM CC(C)CC(=O)Nc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000048031568 968394095 /nfs/dbraw/zinc/39/40/95/968394095.db2.gz PPLLPKLUXQCNNV-LJQANCHMSA-N -1 3 409.486 3.620 20 0 HHADHM Cc1nc2ccc(NC(=O)CS(=O)(=O)[N-]c3ccc(OC(C)C)cc3)cc2s1 ZINC000048244677 968498179 /nfs/dbraw/zinc/49/81/79/968498179.db2.gz RWPRRQFGZJHPCP-UHFFFAOYSA-N -1 3 419.528 3.772 20 0 HHADHM CC(C)c1ccc(C(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)c([O-])c1 ZINC000048386168 968537845 /nfs/dbraw/zinc/53/78/45/968537845.db2.gz FDQXTCHRNQPZLF-UHFFFAOYSA-N -1 3 415.921 3.566 20 0 HHADHM CC1CCC(CNC(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000065693452 968593911 /nfs/dbraw/zinc/59/39/11/968593911.db2.gz DKJQGLZOVPLBTE-UHFFFAOYSA-N -1 3 407.363 3.604 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000065741914 968620867 /nfs/dbraw/zinc/62/08/67/968620867.db2.gz TUPSVPSSYDDIHS-UHFFFAOYSA-N -1 3 416.525 3.554 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC[C@@H](c2ccccc2)C2CC2)c1 ZINC000554130155 1013813212 /nfs/dbraw/zinc/81/32/12/1013813212.db2.gz VQBVXQWHKDJLII-FQEVSTJZSA-N -1 3 405.454 3.865 20 0 HHADHM C=CCN(CCc1ccccc1)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000065776639 968636907 /nfs/dbraw/zinc/63/69/07/968636907.db2.gz HQSOMKYMOLFXRG-UHFFFAOYSA-N -1 3 418.534 3.773 20 0 HHADHM COc1cc([C@@H](C)NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)ccc1OC1CCCC1 ZINC000065799128 968649376 /nfs/dbraw/zinc/64/93/76/968649376.db2.gz XCDNRGOLOICJLO-CYBMUJFWSA-N -1 3 423.469 3.783 20 0 HHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)Nc2ccc(Cl)nc2)CC1 ZINC000065801898 968650557 /nfs/dbraw/zinc/65/05/57/968650557.db2.gz GHXHLLCQMKBMMN-UHFFFAOYSA-N -1 3 409.273 3.977 20 0 HHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)Nc1cccc(OCCc2ccccc2)c1 ZINC000065816200 968659201 /nfs/dbraw/zinc/65/92/01/968659201.db2.gz NIDUYVGLQIYZPD-UHFFFAOYSA-N -1 3 401.422 3.836 20 0 HHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)Nc1cccc(COCCc2ccccc2)c1 ZINC000065829020 968666230 /nfs/dbraw/zinc/66/62/30/968666230.db2.gz UTNJFBGROXQDBL-UHFFFAOYSA-N -1 3 415.449 3.974 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)CC(C)C)c2)cc1 ZINC000065912577 968710991 /nfs/dbraw/zinc/71/09/91/968710991.db2.gz FVIHTHNDZSGXPM-UHFFFAOYSA-N -1 3 404.532 3.923 20 0 HHADHM CC1CCN([C@H](C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)c2cccs2)CC1 ZINC000069089776 968812883 /nfs/dbraw/zinc/81/28/83/968812883.db2.gz DVKQJDUFZRBJLE-CQSZACIVSA-N -1 3 418.506 3.917 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)cc1OC ZINC000072005579 968927245 /nfs/dbraw/zinc/92/72/45/968927245.db2.gz ACTBJWBFISPTMQ-UHFFFAOYSA-N -1 3 401.488 3.807 20 0 HHADHM O=C([N-]c1ccc(Cl)cc1F)c1sccc1S(=O)(=O)N1CCSCC1 ZINC000072042716 968953521 /nfs/dbraw/zinc/95/35/21/968953521.db2.gz AGZLMJRIWAWQLM-UHFFFAOYSA-N -1 3 420.940 3.530 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)[N-]O[C@@H]1CCCCO1 ZINC000072058828 968965406 /nfs/dbraw/zinc/96/54/06/968965406.db2.gz VECAATHMFGXISX-AZUAARDMSA-N -1 3 402.878 3.776 20 0 HHADHM CCc1cc2c(CN3CCCN(C(=O)c4ccc(F)cc4)CC3)cc(=O)oc2cc1[O-] ZINC000097134389 969095604 /nfs/dbraw/zinc/09/56/04/969095604.db2.gz LZILHOBOFBCJKJ-UHFFFAOYSA-N -1 3 424.472 3.548 20 0 HHADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1c(F)cccc1F ZINC000097572927 969167652 /nfs/dbraw/zinc/16/76/52/969167652.db2.gz QWNSEVCRODBGNN-AWEZNQCLSA-N -1 3 409.285 3.853 20 0 HHADHM O=S(=O)([N-]CCc1csc(N2CCCC2)n1)c1c(Cl)cccc1Cl ZINC000097578103 969172509 /nfs/dbraw/zinc/17/25/09/969172509.db2.gz FMSAHIPTUBTAAK-UHFFFAOYSA-N -1 3 406.360 3.571 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@H](C)Oc2ccccc2Cl)cc1OC ZINC000108581701 969396753 /nfs/dbraw/zinc/39/67/53/969396753.db2.gz UDRRXPWIXLTPPG-LBPRGKRZSA-N -1 3 412.895 3.516 20 0 HHADHM CC(=O)c1cc(F)c([N-]C(=O)c2nnn(-c3cccc4cccnc43)c2C)c(F)c1 ZINC000554249393 1013873324 /nfs/dbraw/zinc/87/33/24/1013873324.db2.gz FWQJONBBUIDVIF-UHFFFAOYSA-N -1 3 407.380 3.857 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000109759848 969560562 /nfs/dbraw/zinc/56/05/62/969560562.db2.gz XBWSPCDJKIPILR-CQSZACIVSA-N -1 3 412.440 3.571 20 0 HHADHM CCc1nc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)nn1-c1c(Cl)cccc1Cl ZINC000109773754 969563699 /nfs/dbraw/zinc/56/36/99/969563699.db2.gz SZSOLTBKMLKANB-UHFFFAOYSA-N -1 3 420.182 3.526 20 0 HHADHM CCc1nc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)nn1-c1c(Cl)cccc1Cl ZINC000109773754 969563703 /nfs/dbraw/zinc/56/37/03/969563703.db2.gz SZSOLTBKMLKANB-UHFFFAOYSA-N -1 3 420.182 3.526 20 0 HHADHM CCc1nc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)nn1-c1c(Cl)cccc1Cl ZINC000109773754 969563707 /nfs/dbraw/zinc/56/37/07/969563707.db2.gz SZSOLTBKMLKANB-UHFFFAOYSA-N -1 3 420.182 3.526 20 0 HHADHM CC1(C)CN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)[C@H]1c1ccncc1 ZINC000554270427 1013886029 /nfs/dbraw/zinc/88/60/29/1013886029.db2.gz QYPYAWBJSBQBCH-SFHVURJKSA-N -1 3 412.287 3.909 20 0 HHADHM CSC[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)C1 ZINC000554278510 1013890839 /nfs/dbraw/zinc/89/08/39/1013890839.db2.gz JBEYKRMJOQQTDD-OAHLLOKOSA-N -1 3 422.547 3.842 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@@H]3c3ccc4c(c3)OCCO4)nc2)n1 ZINC000111102925 969777941 /nfs/dbraw/zinc/77/79/41/969777941.db2.gz BIYFPZIBMLDICT-GOSISDBHSA-N -1 3 404.470 3.507 20 0 HHADHM Cc1cc(NC(=O)COC(=O)c2cc(-c3ccco3)[n-]n2)ccc1Br ZINC000115646644 969845872 /nfs/dbraw/zinc/84/58/72/969845872.db2.gz RTOFNHZJSPSBBX-UHFFFAOYSA-N -1 3 404.220 3.536 20 0 HHADHM Cc1cc(NC(=O)COC(=O)c2cc(-c3ccco3)n[n-]2)ccc1Br ZINC000115646644 969845876 /nfs/dbraw/zinc/84/58/76/969845876.db2.gz RTOFNHZJSPSBBX-UHFFFAOYSA-N -1 3 404.220 3.536 20 0 HHADHM C[C@@H](NC(=O)CN1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1)c1cccs1 ZINC000195673560 969947218 /nfs/dbraw/zinc/94/72/18/969947218.db2.gz PYMVEOAVPOUCKC-CYBMUJFWSA-N -1 3 421.950 3.635 20 0 HHADHM CCO[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)ccc2C)C1 ZINC000139488774 970033272 /nfs/dbraw/zinc/03/32/72/970033272.db2.gz LNCLDOVXJCZHIK-IBGZPJMESA-N -1 3 416.543 3.745 20 0 HHADHM CSc1nc(C(=O)O[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)c2ccccn12 ZINC000140337904 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HHADHM O=[N+]([O-])c1ccc([O-])c(CNCc2cc(Br)ccc2OC(F)F)c1 ZINC000238083886 970436956 /nfs/dbraw/zinc/43/69/56/970436956.db2.gz LIWMUOJBAGIFKU-UHFFFAOYSA-N -1 3 403.179 3.954 20 0 HHADHM O=S(=O)([N-]c1ccccc1I)c1cc(F)ccc1Cl ZINC000169091313 970466195 /nfs/dbraw/zinc/46/61/95/970466195.db2.gz AEZQARJDONHFEQ-UHFFFAOYSA-N -1 3 411.623 3.885 20 0 HHADHM CCOc1cc(C=NNC(=O)COc2ccc(C)c(C)c2)cc(Br)c1[O-] ZINC000254791971 970579247 /nfs/dbraw/zinc/57/92/47/970579247.db2.gz QRTSBQILXGMNMT-UHFFFAOYSA-N -1 3 421.291 3.699 20 0 HHADHM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(Oc4cccnc4)cc3)cc2C[C@@H]1C ZINC000554690126 1014014135 /nfs/dbraw/zinc/01/41/35/1014014135.db2.gz PLEGEQXPZROXLJ-HNNXBMFYSA-N -1 3 423.494 3.972 20 0 HHADHM O=C(Nc1ccccc1)[C@@H]([N-]S(=O)(=O)c1cccc2ncccc21)c1ccccc1 ZINC000261387715 970643660 /nfs/dbraw/zinc/64/36/60/970643660.db2.gz NUIIXWGYZGCPFF-QFIPXVFZSA-N -1 3 417.490 3.893 20 0 HHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)c1 ZINC000261466550 970704299 /nfs/dbraw/zinc/70/42/99/970704299.db2.gz RZDFPZMPWMXPAF-QGZVFWFLSA-N -1 3 419.884 3.538 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H]3C[C@@H]3c3ccc4c(c3)OCCO4)c2)n1 ZINC000304020505 972575838 /nfs/dbraw/zinc/57/58/38/972575838.db2.gz LVDXBRGRFCWJNW-MOPGFXCFSA-N -1 3 417.465 3.925 20 0 HHADHM Cc1cnc(Br)c([N-]S(=O)(=O)c2ccc(F)cc2Br)c1 ZINC000312849245 972633430 /nfs/dbraw/zinc/63/34/30/972633430.db2.gz WCASDXVHVBZIAF-UHFFFAOYSA-N -1 3 424.089 3.855 20 0 HHADHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2ccc3c(c2)OCO3)sc1Br ZINC000317579509 972656312 /nfs/dbraw/zinc/65/63/12/972656312.db2.gz PMEVDFVRSJYZHE-SECBINFHSA-N -1 3 404.307 3.587 20 0 HHADHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1CC(=O)Nc1ccc(Br)cc1Cl ZINC000325707361 972733991 /nfs/dbraw/zinc/73/39/91/972733991.db2.gz QPTAFCLLAHDBBO-VQISRLSMSA-N -1 3 415.715 3.759 20 0 HHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cc(C(F)(F)F)ccc1Br ZINC000327543322 972758826 /nfs/dbraw/zinc/75/88/26/972758826.db2.gz VVQFWQBVORAREW-UHFFFAOYSA-N -1 3 412.169 3.900 20 0 HHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cc(C(F)(F)F)ccc1Br ZINC000327543322 972758836 /nfs/dbraw/zinc/75/88/36/972758836.db2.gz VVQFWQBVORAREW-UHFFFAOYSA-N -1 3 412.169 3.900 20 0 HHADHM CC(F)(F)CC[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000379240410 972771066 /nfs/dbraw/zinc/77/10/66/972771066.db2.gz WLMGBSSUXGYTJC-UHFFFAOYSA-N -1 3 407.074 3.535 20 0 HHADHM CC(C)(COCc1ccccc1)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000390284569 972821894 /nfs/dbraw/zinc/82/18/94/972821894.db2.gz LNRMUVNCOLMCFX-UHFFFAOYSA-N -1 3 404.351 3.784 20 0 HHADHM O=S(=O)([N-]c1ccc(OC(F)(F)F)c(Br)c1)c1ccc(O)cc1 ZINC000391609372 972843601 /nfs/dbraw/zinc/84/36/01/972843601.db2.gz YTOJRSNUPKIHCR-UHFFFAOYSA-N -1 3 412.183 3.854 20 0 HHADHM O=S(=O)(Nc1ccc(OC(F)(F)F)c(Br)c1)c1ccc([O-])cc1 ZINC000391609372 972843603 /nfs/dbraw/zinc/84/36/03/972843603.db2.gz YTOJRSNUPKIHCR-UHFFFAOYSA-N -1 3 412.183 3.854 20 0 HHADHM O=C(c1cncc([O-])c1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000409634349 973080643 /nfs/dbraw/zinc/08/06/43/973080643.db2.gz BHGJYSLAZHYUFZ-UHFFFAOYSA-N -1 3 409.436 3.613 20 0 HHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cccc(-c4noc(C5CC5)n4)c3)cc2)n1 ZINC000409663701 973119689 /nfs/dbraw/zinc/11/96/89/973119689.db2.gz JGCFDVFRFGWLIW-UHFFFAOYSA-N -1 3 413.437 3.925 20 0 HHADHM Cn1c(N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)nc2cccc(F)c21 ZINC000409718292 973192704 /nfs/dbraw/zinc/19/27/04/973192704.db2.gz UGKVQIIANWJPIH-UHFFFAOYSA-N -1 3 402.857 3.927 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]CC1CCC(F)(F)CC1 ZINC000409889916 973353547 /nfs/dbraw/zinc/35/35/47/973353547.db2.gz YYRPJMGNKAWUPH-UHFFFAOYSA-N -1 3 403.472 3.792 20 0 HHADHM Cc1cc(C)cc(CS(=O)(=O)[N-][C@H](c2nc(-c3cccnc3)no2)C(C)C)c1 ZINC000410102030 973577432 /nfs/dbraw/zinc/57/74/32/973577432.db2.gz ANSAQRWERKZTHP-SFHVURJKSA-N -1 3 400.504 3.565 20 0 HHADHM C[C@@H](CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)c1ccccc1 ZINC000410223034 973719091 /nfs/dbraw/zinc/71/90/91/973719091.db2.gz HWHTWEIQOKEPKE-HNNXBMFYSA-N -1 3 415.490 3.878 20 0 HHADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2F)cc1OC ZINC000410420253 974018873 /nfs/dbraw/zinc/01/88/73/974018873.db2.gz RJYVEDXGQIUQKL-UHFFFAOYSA-N -1 3 408.234 3.729 20 0 HHADHM Cc1cccc(-n2cc(C(=O)[N-]c3nnc(Cc4ccc(Cl)cc4)s3)nn2)c1 ZINC000426280840 974366783 /nfs/dbraw/zinc/36/67/83/974366783.db2.gz ODEZTBMEDTUYAG-UHFFFAOYSA-N -1 3 410.890 3.924 20 0 HHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc(Cl)c(C[S@](C)=O)c3)c[n-]c12 ZINC000426326726 974398713 /nfs/dbraw/zinc/39/87/13/974398713.db2.gz MHDMPPQPNDUWCO-MHZLTWQESA-N -1 3 406.866 3.760 20 0 HHADHM COc1cc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)ccc1Br ZINC000426627939 974570969 /nfs/dbraw/zinc/57/09/69/974570969.db2.gz IWWCYOCMZOZPOE-UHFFFAOYSA-N -1 3 405.223 3.999 20 0 HHADHM O=C([O-])[C@@H](CNCc1cc(Cl)ccc1Br)Oc1ccc(F)cc1 ZINC000426631379 974572450 /nfs/dbraw/zinc/57/24/50/974572450.db2.gz NWXQDHPKIOMSKY-OAHLLOKOSA-N -1 3 402.647 3.863 20 0 HHADHM COc1cc(C[NH2+]C[C@H](Cc2ccc(C)cc2)C(=O)[O-])cc(Br)c1[O-] ZINC000426631165 974572636 /nfs/dbraw/zinc/57/26/36/974572636.db2.gz XGKPENHGSGPUQS-HNNXBMFYSA-N -1 3 408.292 3.505 20 0 HHADHM Cc1nn(-c2ccc(Cl)cc2)cc1CNC[C@H](Oc1ccc(F)cc1)C(=O)[O-] ZINC000426658701 974587218 /nfs/dbraw/zinc/58/72/18/974587218.db2.gz XDUBBKIXFUDCFQ-IBGZPJMESA-N -1 3 403.841 3.595 20 0 HHADHM O=C([O-])[C@H](Cn1ccc(C(F)(F)F)n1)NCc1ccc(-c2c(F)cccc2F)o1 ZINC000426754775 974637140 /nfs/dbraw/zinc/63/71/40/974637140.db2.gz TWNSSAUTEMGJIP-ZDUSSCGKSA-N -1 3 415.318 3.683 20 0 HHADHM O=C([O-])[C@@H](Cc1cccc(Br)c1)NCc1coc(-c2ccccc2)n1 ZINC000426760764 974639553 /nfs/dbraw/zinc/63/95/53/974639553.db2.gz UMWJFIOUSXPBGS-QGZVFWFLSA-N -1 3 401.260 3.890 20 0 HHADHM COc1ccc([C@H](CC(=O)[O-])NCc2cc(Cl)c(OC)c(OC)c2)cc1OC ZINC000426808094 974675875 /nfs/dbraw/zinc/67/58/75/974675875.db2.gz KQRQEYJTNLVMLU-HNNXBMFYSA-N -1 3 409.866 3.680 20 0 HHADHM CCOc1c(Br)cc(CN[C@H](C(=O)[O-])c2ccsc2)cc1OC ZINC000426816188 974681627 /nfs/dbraw/zinc/68/16/27/974681627.db2.gz JETJMAATUBCBJT-AWEZNQCLSA-N -1 3 400.294 3.833 20 0 HHADHM COc1ccc(CN[C@H](C(=O)[O-])c2ccc(Br)cc2)cc1OC(F)F ZINC000426820573 974686037 /nfs/dbraw/zinc/68/60/37/974686037.db2.gz ZSSQUUVAPBROEX-HNNXBMFYSA-N -1 3 416.218 3.975 20 0 HHADHM O=C([O-])[C@@H](CCCc1ccccc1)NCc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000426836311 974700371 /nfs/dbraw/zinc/70/03/71/974700371.db2.gz TYSXQAUGUUDLOD-GOSISDBHSA-N -1 3 402.857 3.626 20 0 HHADHM O=C([O-])C[C@@H](NCc1ccc(N2CCCC2)nc1)c1cccc(Br)c1 ZINC000426835759 974700422 /nfs/dbraw/zinc/70/04/22/974700422.db2.gz SALCAOPDQZWDFT-QGZVFWFLSA-N -1 3 404.308 3.750 20 0 HHADHM COCCc1nc(=NC[C@H]2CCCN(C)[C@@H]2c2ccc(C(F)(F)F)cc2)s[n-]1 ZINC000426889181 974733485 /nfs/dbraw/zinc/73/34/85/974733485.db2.gz DFUJJMQCRULIOY-RHSMWYFYSA-N -1 3 414.497 3.663 20 0 HHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)[C@H](Oc1ccc(F)c(F)c1)c1ccccc1 ZINC000427064475 974870222 /nfs/dbraw/zinc/87/02/22/974870222.db2.gz LXFJYSZEKKDTRI-OAQYLSRUSA-N -1 3 421.407 3.828 20 0 HHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)[C@H](Oc1ccc(F)c(F)c1)c1ccccc1 ZINC000427064475 974870224 /nfs/dbraw/zinc/87/02/24/974870224.db2.gz LXFJYSZEKKDTRI-OAQYLSRUSA-N -1 3 421.407 3.828 20 0 HHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1cc(Br)cc2ccccc21 ZINC000427087573 974892604 /nfs/dbraw/zinc/89/26/04/974892604.db2.gz GZONBZMWDRRCNB-UHFFFAOYSA-N -1 3 408.259 3.959 20 0 HHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1cc(Br)cc2ccccc21 ZINC000427087573 974892609 /nfs/dbraw/zinc/89/26/09/974892609.db2.gz GZONBZMWDRRCNB-UHFFFAOYSA-N -1 3 408.259 3.959 20 0 HHADHM CCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)CC2(C(=O)OC)CCCCC2)c1 ZINC000427100864 974904146 /nfs/dbraw/zinc/90/41/46/974904146.db2.gz OSAFGIPVRCTBBB-UHFFFAOYSA-N -1 3 416.927 3.554 20 0 HHADHM CCS[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000427251665 975005458 /nfs/dbraw/zinc/00/54/58/975005458.db2.gz XQNKEOPEPFWKMJ-HIFRSBDPSA-N -1 3 408.948 3.780 20 0 HHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N(C)Cc1ccc(Br)c(F)c1 ZINC000427541570 975172492 /nfs/dbraw/zinc/17/24/92/975172492.db2.gz QMIQHCPTAQHSPE-UHFFFAOYSA-N -1 3 410.287 3.962 20 0 HHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(F)c(F)c1F ZINC000427597683 975206956 /nfs/dbraw/zinc/20/69/56/975206956.db2.gz XFBPIYWKQHUVCU-UHFFFAOYSA-N -1 3 412.311 3.747 20 0 HHADHM COCc1cccc(CC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c1 ZINC000427642092 975221318 /nfs/dbraw/zinc/22/13/18/975221318.db2.gz NBEMCTOVPSWACK-UHFFFAOYSA-N -1 3 416.905 3.612 20 0 HHADHM C[C@@H]1CCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)CC1(F)F ZINC000427657618 975228116 /nfs/dbraw/zinc/22/81/16/975228116.db2.gz QXNDNPBRRMNKOC-CYBMUJFWSA-N -1 3 412.433 3.744 20 0 HHADHM C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCCC[C@@H]1C(=O)NCc1ccc([O-])c(F)c1 ZINC000427953193 975364821 /nfs/dbraw/zinc/36/48/21/975364821.db2.gz XDRFSAPYCPIAHW-MNEFBYGVSA-N -1 3 410.489 3.932 20 0 HHADHM CC(C)(C)c1ccc(C(=O)N2CSC[C@@H]2C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000427958448 975366778 /nfs/dbraw/zinc/36/67/78/975366778.db2.gz JJHFBTSJZYERKI-GOSISDBHSA-N -1 3 416.518 3.660 20 0 HHADHM O=C1[N-][C@@](c2ccccc2)(C(F)(F)F)C(=O)N1Cc1ncccc1C(F)(F)F ZINC000428060729 975411743 /nfs/dbraw/zinc/41/17/43/975411743.db2.gz LWFXGIYFDSJSPV-OAHLLOKOSA-N -1 3 403.282 3.610 20 0 HHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cc(-c2cccc(C(F)(F)F)c2)nn1C ZINC000428293655 975606085 /nfs/dbraw/zinc/60/60/85/975606085.db2.gz CDEWOBHMFCJVER-UHFFFAOYSA-N -1 3 423.420 3.884 20 0 HHADHM CS(=O)(=O)[N-]c1cncc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cn2)c1 ZINC000428604523 975913526 /nfs/dbraw/zinc/91/35/26/975913526.db2.gz TVSQPBNQKDAMEC-UHFFFAOYSA-N -1 3 418.862 3.546 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC3CC(F)(F)C3)c2)cc1 ZINC000428762992 976034957 /nfs/dbraw/zinc/03/49/57/976034957.db2.gz UWOQCZDJNVFEHU-UHFFFAOYSA-N -1 3 424.469 3.722 20 0 HHADHM CSc1nc(C2CC2)nc(C)c1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000428860956 976151417 /nfs/dbraw/zinc/15/14/17/976151417.db2.gz IOVLWNKGXDDOSJ-UHFFFAOYSA-N -1 3 408.321 3.782 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)C1(c2ccc(F)cc2)CCOCC1 ZINC000428870903 976161284 /nfs/dbraw/zinc/16/12/84/976161284.db2.gz IWGQTFFQSUJFBE-UHFFFAOYSA-N -1 3 408.267 3.658 20 0 HHADHM CS(=O)(=O)[N-]c1cncc(C(=O)Nc2cc(Cl)ccc2OC2CCCC2)c1 ZINC000428878977 976170249 /nfs/dbraw/zinc/17/02/49/976170249.db2.gz BHGLVJRLGKTVIK-UHFFFAOYSA-N -1 3 409.895 3.680 20 0 HHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CCC[C@H](CSC)C3)nc(=O)c2c1C ZINC000429269950 976557096 /nfs/dbraw/zinc/55/70/96/976557096.db2.gz CZSGFULPSIICNO-OLZOCXBDSA-N -1 3 409.577 3.606 20 0 HHADHM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1CCN(CC(F)(F)F)CC1 ZINC000429324438 976591657 /nfs/dbraw/zinc/59/16/57/976591657.db2.gz CCHOGALJSGIYPN-SNVBAGLBSA-N -1 3 419.296 3.935 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1ccnn1Cc1ccc(F)cc1 ZINC000429580006 976852868 /nfs/dbraw/zinc/85/28/68/976852868.db2.gz YUJWRYDFTUOVQR-UHFFFAOYSA-N -1 3 419.254 3.860 20 0 HHADHM O=S(=O)([N-][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1cc(Cl)ccc1Br ZINC000429826748 977096392 /nfs/dbraw/zinc/09/63/92/977096392.db2.gz GVDKMCIEELDZQU-DFBGVHRSSA-N -1 3 420.756 3.729 20 0 HHADHM O=S(=O)([N-][C@@H]1CCOC2(CCCC2)C1)c1cc(Cl)ccc1Br ZINC000429827364 977097813 /nfs/dbraw/zinc/09/78/13/977097813.db2.gz MAIKYYOWENMQTD-GFCCVEGCSA-N -1 3 408.745 3.873 20 0 HHADHM O=S(=O)([N-][C@H](c1cccnc1)C1CC1)c1cc(Cl)ccc1Br ZINC000429840924 977112353 /nfs/dbraw/zinc/11/23/53/977112353.db2.gz WCZGCCWHATUAKJ-HNNXBMFYSA-N -1 3 401.713 3.927 20 0 HHADHM C[C@]1(C[N-]S(=O)(=O)c2cc(Cl)ccc2Br)CCO[C@H]1C1CC1 ZINC000429908843 977185035 /nfs/dbraw/zinc/18/50/35/977185035.db2.gz KFZBMPQCJDPAII-LSDHHAIUSA-N -1 3 408.745 3.586 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)NC[C@@H](CO)Cc1ccccc1Br ZINC000430125913 977333751 /nfs/dbraw/zinc/33/37/51/977333751.db2.gz UNNSEBCIXONKRJ-HNNXBMFYSA-N -1 3 424.310 3.584 20 0 HHADHM Cc1cncc(CNC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)c1 ZINC000430578125 977641538 /nfs/dbraw/zinc/64/15/38/977641538.db2.gz VXWHNKKBNCIAMN-UHFFFAOYSA-N -1 3 406.667 3.577 20 0 HHADHM Cc1ccn2c(c1)nnc2NC(=O)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430598901 977650391 /nfs/dbraw/zinc/65/03/91/977650391.db2.gz DWSCAQOLDANNKN-UHFFFAOYSA-N -1 3 411.421 3.924 20 0 HHADHM C[C@@H](C[C@@H]1CCCO1)NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430646948 977666924 /nfs/dbraw/zinc/66/69/24/977666924.db2.gz FGBBOSADZAECIF-ONGXEEELSA-N -1 3 413.699 3.631 20 0 HHADHM Cc1nc(C)c(CCC(=O)N2CCC[C@H]2c2ccc(Br)c(F)c2)c(=O)[n-]1 ZINC000431141738 978045077 /nfs/dbraw/zinc/04/50/77/978045077.db2.gz ZRERFZDQGNOCJN-KRWDZBQOSA-N -1 3 422.298 3.997 20 0 HHADHM C[C@H]([N-]S(=O)(=O)Cc1cc(Cl)ccc1F)c1noc(Cc2ccccc2)n1 ZINC000431269711 978155468 /nfs/dbraw/zinc/15/54/68/978155468.db2.gz KPJQISFGSWJYON-LBPRGKRZSA-N -1 3 409.870 3.634 20 0 HHADHM O=C(C[N-]S(=O)(=O)Cc1cc(Cl)ccc1F)Nc1cccc2ccccc21 ZINC000431311856 978196632 /nfs/dbraw/zinc/19/66/32/978196632.db2.gz HAUIFPSILBURBO-UHFFFAOYSA-N -1 3 406.866 3.690 20 0 HHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H]2C[C@H](c3ccc(F)cc3)C2)cc1Cl ZINC000431626303 978394659 /nfs/dbraw/zinc/39/46/59/978394659.db2.gz ABFMKBXEUDSGRS-MQMHXKEQSA-N -1 3 414.861 3.801 20 0 HHADHM O=C1N[C@@H](c2ccc(Cl)c(F)c2)C(=O)N1Cc1ccc([O-])c(Br)c1 ZINC000431858680 978555525 /nfs/dbraw/zinc/55/55/25/978555525.db2.gz PBDMYUQMOOREKQ-AWEZNQCLSA-N -1 3 413.630 3.740 20 0 HHADHM CCCN(C[C@@H]1COc2ccccc2O1)c1ccc(-c2nc(CC)cc(=O)[n-]2)cn1 ZINC000432132307 978689527 /nfs/dbraw/zinc/68/95/27/978689527.db2.gz BGKOAMHQBAGOCY-GOSISDBHSA-N -1 3 406.486 3.863 20 0 HHADHM CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)cc1 ZINC000432640021 978921113 /nfs/dbraw/zinc/92/11/13/978921113.db2.gz BXBGGQKUWBOQOB-UHFFFAOYSA-N -1 3 407.517 3.511 20 0 HHADHM CCc1ccccc1C(=O)NCc1cccc([N-]S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000432664427 978928855 /nfs/dbraw/zinc/92/88/55/978928855.db2.gz NQNVIRDVLJUWEZ-UHFFFAOYSA-N -1 3 424.522 3.988 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)NCCc3cccc(C(F)(F)F)n3)cc2)cc(=O)[n-]1 ZINC000432683917 978935909 /nfs/dbraw/zinc/93/59/09/978935909.db2.gz FWULAVOGZYWBBR-UHFFFAOYSA-N -1 3 417.391 3.936 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(CN3CCCCC3=O)c2)cc1Cl ZINC000432764859 978965548 /nfs/dbraw/zinc/96/55/48/978965548.db2.gz XCZXGEFWJVJACG-UHFFFAOYSA-N -1 3 422.934 3.970 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3nncn3C)cc2)cc1C(C)C ZINC000432779491 978972481 /nfs/dbraw/zinc/97/24/81/978972481.db2.gz KQNBEQIHTKOHFR-UHFFFAOYSA-N -1 3 400.504 3.723 20 0 HHADHM Cc1nc([C@H]2CCCOC2)sc1C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000432892351 979002888 /nfs/dbraw/zinc/00/28/88/979002888.db2.gz VRYAXCHTNJLTCX-HNNXBMFYSA-N -1 3 410.499 3.657 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)Nc3c(C)cc(C)cc3C)c2)[n-]1 ZINC000432901655 979005700 /nfs/dbraw/zinc/00/57/00/979005700.db2.gz AHGOVWPUNKXQTJ-UHFFFAOYSA-N -1 3 407.474 3.895 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)Nc3c(C)cc(C)cc3C)c2)n[n-]1 ZINC000432901655 979005704 /nfs/dbraw/zinc/00/57/04/979005704.db2.gz AHGOVWPUNKXQTJ-UHFFFAOYSA-N -1 3 407.474 3.895 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ncc(C)cc2Br)cc1Cl ZINC000432954716 979022633 /nfs/dbraw/zinc/02/26/33/979022633.db2.gz JBZLFPQFBZZDPA-UHFFFAOYSA-N -1 3 405.701 3.924 20 0 HHADHM Cn1[n-]c(-c2cccs2)nc1=NS(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000432959035 979024525 /nfs/dbraw/zinc/02/45/25/979024525.db2.gz JDYYDHVJOAFVDR-UHFFFAOYSA-N -1 3 410.933 3.634 20 0 HHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3cccc(Cl)c3N3CCOCC3)c[n-]c12 ZINC000433235746 979167484 /nfs/dbraw/zinc/16/74/84/979167484.db2.gz VQCGKGGJNGOLMG-UHFFFAOYSA-N -1 3 415.852 3.718 20 0 HHADHM COC(=O)COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1Cl ZINC000433620570 979430906 /nfs/dbraw/zinc/43/09/06/979430906.db2.gz YRJIUWSPMZCHOP-UHFFFAOYSA-N -1 3 409.891 3.571 20 0 HHADHM COCc1ccc(C[N-]S(=O)(=O)c2cc(Br)sc2Cl)cc1 ZINC000433623735 979433611 /nfs/dbraw/zinc/43/36/11/979433611.db2.gz WPDZTFNXTBDKRC-UHFFFAOYSA-N -1 3 410.742 3.789 20 0 HHADHM C[C@H]([N-]S(=O)(=O)c1cc(Br)sc1Cl)c1ccc2c(c1)OCO2 ZINC000433626937 979435553 /nfs/dbraw/zinc/43/55/53/979435553.db2.gz VJKPJNGWNYRCPZ-ZETCQYMHSA-N -1 3 424.725 3.932 20 0 HHADHM CSC1(CNC(=O)c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)ccc2C)CC1 ZINC000433716542 979510670 /nfs/dbraw/zinc/51/06/70/979510670.db2.gz CPZZBQBXLKJHJT-UHFFFAOYSA-N -1 3 404.557 3.730 20 0 HHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)CC[C@H]2CCOC2)cc1 ZINC000433867870 979637481 /nfs/dbraw/zinc/63/74/81/979637481.db2.gz FIXTWNQPWINZJZ-KRWDZBQOSA-N -1 3 402.516 3.859 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(C)C)c(C)o1 ZINC000433950583 979709418 /nfs/dbraw/zinc/70/94/18/979709418.db2.gz XYWVCNGAONXVMF-INIZCTEOSA-N -1 3 418.437 3.642 20 0 HHADHM CCC[C@H](NC(=O)c1cc(S(=O)(=O)[N-]C)oc1C)c1cccc(C(F)(F)F)c1 ZINC000433954597 979713575 /nfs/dbraw/zinc/71/35/75/979713575.db2.gz VIWMNODNPKKLHD-HNNXBMFYSA-N -1 3 418.437 3.786 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)N[C@@H](c3ccccc3)C3CC3)c2)[n-]1 ZINC000433991617 979740348 /nfs/dbraw/zinc/74/03/48/979740348.db2.gz XHAPGVSFIFXWRK-IBGZPJMESA-N -1 3 419.485 3.599 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)N[C@@H](c3ccccc3)C3CC3)c2)n[n-]1 ZINC000433991617 979740356 /nfs/dbraw/zinc/74/03/56/979740356.db2.gz XHAPGVSFIFXWRK-IBGZPJMESA-N -1 3 419.485 3.599 20 0 HHADHM CNS(=O)(=O)c1cc(C(=O)[N-]c2cc(Cl)ccc2SC(C)C)c(C)o1 ZINC000434012890 979758416 /nfs/dbraw/zinc/75/84/16/979758416.db2.gz RCXLDQCQKOJEAZ-UHFFFAOYSA-N -1 3 402.925 3.902 20 0 HHADHM CCC1(C(=O)NCc2cccc([N-]S(=O)(=O)c3ccc(OC)cc3)c2)CCC1 ZINC000434122384 979877879 /nfs/dbraw/zinc/87/78/79/979877879.db2.gz ASBBRWVYMJKIAO-UHFFFAOYSA-N -1 3 402.516 3.693 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2Sc2ccccc2)c(C)o1 ZINC000434228189 979998844 /nfs/dbraw/zinc/99/88/44/979998844.db2.gz MEULUXNSNKJAEI-UHFFFAOYSA-N -1 3 402.497 3.900 20 0 HHADHM C[C@@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1cccc(OCc2ccccc2)c1 ZINC000434337192 980100816 /nfs/dbraw/zinc/10/08/16/980100816.db2.gz VOGGHPCYWGOTGB-CYBMUJFWSA-N -1 3 419.407 3.963 20 0 HHADHM CC1(C)CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)CCS1 ZINC000434379150 980124995 /nfs/dbraw/zinc/12/49/95/980124995.db2.gz XAOLUZBYLBAUJH-UHFFFAOYSA-N -1 3 408.520 3.594 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N3C[C@@H](C)c4ccccc43)c2)n1 ZINC000434421181 980162008 /nfs/dbraw/zinc/16/20/08/980162008.db2.gz VDRDTUWAKSDQHH-CQSZACIVSA-N -1 3 402.454 3.500 20 0 HHADHM O=S(=O)([N-]CCc1cccc2cccnc21)c1cc(F)ccc1Br ZINC000434945457 980519954 /nfs/dbraw/zinc/51/99/54/980519954.db2.gz CULXOZHPUHOVCJ-UHFFFAOYSA-N -1 3 409.280 3.657 20 0 HHADHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(F)ccc2Br)c1 ZINC000434962113 980533485 /nfs/dbraw/zinc/53/34/85/980533485.db2.gz FCVNHTMZXVYXBF-UHFFFAOYSA-N -1 3 422.659 3.829 20 0 HHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1c(F)cccc1F)c1cc(F)ccc1Br ZINC000435209637 980723501 /nfs/dbraw/zinc/72/35/01/980723501.db2.gz CYKZTZNFRZOZBZ-NOZJJQNGSA-N -1 3 406.223 3.701 20 0 HHADHM O=S(=O)([N-][C@H](c1ccccc1)[C@@H]1CCCO1)c1cc(F)ccc1Br ZINC000435210017 980723642 /nfs/dbraw/zinc/72/36/42/980723642.db2.gz ZVBJDMZDBMIHDB-DOTOQJQBSA-N -1 3 414.296 3.787 20 0 HHADHM CC(C)[C@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)c1nnc2ccccn21 ZINC000435429994 980858661 /nfs/dbraw/zinc/85/86/61/980858661.db2.gz XGFKJCXLTMKMFL-AWEZNQCLSA-N -1 3 417.293 3.851 20 0 HHADHM CCC[C@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)c1nnc2ccccn21 ZINC000435438794 980862595 /nfs/dbraw/zinc/86/25/95/980862595.db2.gz RLRYSQZRRJDGGR-ZDUSSCGKSA-N -1 3 417.293 3.995 20 0 HHADHM CCc1ccnc(C[N-]S(=O)(=O)c2cc(Cl)c(Br)cc2F)c1 ZINC000435639658 980970986 /nfs/dbraw/zinc/97/09/86/980970986.db2.gz XAWMGKFDAFAZJR-UHFFFAOYSA-N -1 3 407.692 3.678 20 0 HHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000435742339 981011761 /nfs/dbraw/zinc/01/17/61/981011761.db2.gz UENZPKKTALGZFJ-YEORSEQZSA-N -1 3 403.360 3.657 20 0 HHADHM Cc1c(C(=O)[N-]c2nnc(Cc3ccc(C)cc3)s2)nnn1Cc1ccc(F)cc1 ZINC000435866104 981066070 /nfs/dbraw/zinc/06/60/70/981066070.db2.gz FLGGMDBEMFVXLD-UHFFFAOYSA-N -1 3 422.489 3.777 20 0 HHADHM Cc1nc(C)c(CC(=O)N2CCc3ccccc3[C@@H](c3ccccc3)[C@H]2C)c(=O)[n-]1 ZINC000435969864 981122183 /nfs/dbraw/zinc/12/21/83/981122183.db2.gz ZVBUEGZEZQBFIA-MZNJEOGPSA-N -1 3 401.510 3.947 20 0 HHADHM CC(C)Oc1ccc([N-]S(=O)(=O)Cc2nc(COc3ccccc3F)no2)cc1 ZINC000436020270 981160732 /nfs/dbraw/zinc/16/07/32/981160732.db2.gz YKZIUXWNTMVSLI-UHFFFAOYSA-N -1 3 421.450 3.517 20 0 HHADHM COC(=O)c1ccc(C(=O)CSc2nnc([N-]c3ccccc3F)s2)cc1 ZINC000436112863 981206097 /nfs/dbraw/zinc/20/60/97/981206097.db2.gz GASQXNZQBIHQDT-UHFFFAOYSA-N -1 3 403.460 4.182 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccnn3CC(F)F)cc2)cc1 ZINC000436280682 981282014 /nfs/dbraw/zinc/28/20/14/981282014.db2.gz NGEGKMJTVDSYOU-UHFFFAOYSA-N -1 3 420.441 3.510 20 0 HHADHM Cc1nc(C)c(CCC(=O)N[C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)c(=O)[n-]1 ZINC000436463273 981387810 /nfs/dbraw/zinc/38/78/10/981387810.db2.gz XPZGOEHJQJPVRJ-OAHLLOKOSA-N -1 3 405.779 3.944 20 0 HHADHM COc1cccc(Cc2nnc(NC(=O)c3ccc4c(c3[O-])OC(C)(C)C4)s2)c1 ZINC000436487840 981397448 /nfs/dbraw/zinc/39/74/48/981397448.db2.gz UNOVUBAWFUONKV-UHFFFAOYSA-N -1 3 411.483 3.809 20 0 HHADHM Cc1cc(CN2C(=O)c3ccccc3C2=O)cc(-c2nc(-c3ccco3)no2)c1[O-] ZINC000436511929 981410214 /nfs/dbraw/zinc/41/02/14/981410214.db2.gz IOAVBZTUVYDNQL-UHFFFAOYSA-N -1 3 401.378 3.807 20 0 HHADHM CC[C@H](NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C1CCOCC1 ZINC000436524852 981417433 /nfs/dbraw/zinc/41/74/33/981417433.db2.gz CELJRSSRHRQEBI-FCHUYYIVSA-N -1 3 410.514 3.575 20 0 HHADHM Cc1nc(CNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)sc1C ZINC000436525961 981418389 /nfs/dbraw/zinc/41/83/89/981418389.db2.gz HRXAWOUINQLOBF-LJQANCHMSA-N -1 3 409.511 3.643 20 0 HHADHM CCO[C@@H]1C[C@H](NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C12CCC2 ZINC000436526034 981419169 /nfs/dbraw/zinc/41/91/69/981419169.db2.gz IBSKKZRXFRRGED-FDFHNCONSA-N -1 3 422.525 3.717 20 0 HHADHM CCc1cnc(CNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)s1 ZINC000436528986 981421777 /nfs/dbraw/zinc/42/17/77/981421777.db2.gz QKQHJMSRBYIIOX-LJQANCHMSA-N -1 3 409.511 3.589 20 0 HHADHM CC(C)(C)c1cnc(CNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)o1 ZINC000436529503 981421808 /nfs/dbraw/zinc/42/18/08/981421808.db2.gz RZENIJHNBKZMKN-IBGZPJMESA-N -1 3 421.497 3.855 20 0 HHADHM CCc1cnc(CNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)s1 ZINC000436528985 981421818 /nfs/dbraw/zinc/42/18/18/981421818.db2.gz QKQHJMSRBYIIOX-IBGZPJMESA-N -1 3 409.511 3.589 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CC=C(C(F)(F)F)CC1 ZINC000436530121 981422621 /nfs/dbraw/zinc/42/26/21/981422621.db2.gz BEDRFNAHKNWQCP-LJQANCHMSA-N -1 3 418.415 3.974 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCc2c(F)cccc2C1 ZINC000436536734 981427456 /nfs/dbraw/zinc/42/74/56/981427456.db2.gz PYUKVGMWHGIYDL-HSZRJFAPSA-N -1 3 418.468 3.977 20 0 HHADHM C[C@@H]1CN(CC2CCN(C(=O)c3ccc(Cl)c(Cl)c3[O-])CC2)C[C@@H](C)O1 ZINC000436539691 981429766 /nfs/dbraw/zinc/42/97/66/981429766.db2.gz OOSANNRNAJCGTG-CHWSQXEVSA-N -1 3 401.334 3.660 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CC[C@H](C2CCOCC2)C1 ZINC000436540518 981430330 /nfs/dbraw/zinc/43/03/30/981430330.db2.gz ZMGUSNNUZWOONM-JTHBVZDNSA-N -1 3 422.525 3.529 20 0 HHADHM O=C(NCc1ccco1)[C@@H]1CCCN1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436546318 981433457 /nfs/dbraw/zinc/43/34/57/981433457.db2.gz JUFYHCJPUNUQQW-QFIPXVFZSA-N -1 3 418.493 3.691 20 0 HHADHM C[C@H](Cc1ccc(O)cc1)NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436554184 981439449 /nfs/dbraw/zinc/43/94/49/981439449.db2.gz DXAIHNSKIACGEP-HXOBKFHXSA-N -1 3 418.493 3.706 20 0 HHADHM O=C(Nc1cccc(N2CCNC2=O)c1)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436556034 981440855 /nfs/dbraw/zinc/44/08/55/981440855.db2.gz MTHBLFORCYFTJO-UHFFFAOYSA-N -1 3 403.438 3.753 20 0 HHADHM Cc1noc(C)c1[C@@H](C)CNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436556351 981441678 /nfs/dbraw/zinc/44/16/78/981441678.db2.gz NWNYBUWJSVRYQX-YCRPNKLZSA-N -1 3 421.497 3.778 20 0 HHADHM CN(C)C(=O)COc1cccc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])c1 ZINC000436560537 981444595 /nfs/dbraw/zinc/44/45/95/981444595.db2.gz BXSBQDMBFQKBEO-UHFFFAOYSA-N -1 3 420.465 3.691 20 0 HHADHM CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)c1cc(CCc3ccccc3)ccc1[O-])CC2 ZINC000436564901 981447860 /nfs/dbraw/zinc/44/78/60/981447860.db2.gz PZEMSYQXXYCLCG-DHIUTWEWSA-N -1 3 409.526 3.570 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCc1ccc(Cl)cn1 ZINC000436565746 981448620 /nfs/dbraw/zinc/44/86/20/981448620.db2.gz VSVCEYSVEBKDOA-HXUWFJFHSA-N -1 3 409.873 3.618 20 0 HHADHM O=C(c1ccsc1)N1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000436567728 981449218 /nfs/dbraw/zinc/44/92/18/981449218.db2.gz YCOMPOYEFFTIBA-UHFFFAOYSA-N -1 3 408.479 3.844 20 0 HHADHM O=C(NC1CCN(c2ccccn2)CC1)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436575197 981454126 /nfs/dbraw/zinc/45/41/26/981454126.db2.gz IAGFQLBEUDUWBP-UHFFFAOYSA-N -1 3 401.510 3.971 20 0 HHADHM CN1C(=O)COc2ccc(NC(=O)c3cc(OCc4ccccc4)ccc3[O-])cc21 ZINC000436577133 981455655 /nfs/dbraw/zinc/45/56/55/981455655.db2.gz RJPDATWQMMZGCN-UHFFFAOYSA-N -1 3 404.422 3.579 20 0 HHADHM CS(=O)(=O)Cc1cc(F)ccc1NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436585550 981460752 /nfs/dbraw/zinc/46/07/52/981460752.db2.gz QMPLQGWTEYAJQT-UHFFFAOYSA-N -1 3 413.470 3.919 20 0 HHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCN(c2ccccc2O)CC1 ZINC000436587707 981462047 /nfs/dbraw/zinc/46/20/47/981462047.db2.gz ZIQKQOAGAJURLG-UHFFFAOYSA-N -1 3 402.494 3.845 20 0 HHADHM CN(C)CC(=O)Nc1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])cc1 ZINC000436590260 981463263 /nfs/dbraw/zinc/46/32/63/981463263.db2.gz RMLCGSHDBWHSEX-UHFFFAOYSA-N -1 3 419.481 3.724 20 0 HHADHM CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC000436590484 981463403 /nfs/dbraw/zinc/46/34/03/981463403.db2.gz NDYBSRPWTGJYLR-HNNXBMFYSA-N -1 3 400.441 3.779 20 0 HHADHM CN(C)C(=O)c1ccc(CNC(=O)c2cc(CCc3ccccc3)ccc2[O-])cc1 ZINC000436591412 981463957 /nfs/dbraw/zinc/46/39/57/981463957.db2.gz WNBYQOSBFAYZFG-UHFFFAOYSA-N -1 3 402.494 3.809 20 0 HHADHM C[C@@H](c1nnc(-c2ccccc2F)s1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436593058 981464493 /nfs/dbraw/zinc/46/44/93/981464493.db2.gz BXVPTPGVBWEHKG-AWEZNQCLSA-N -1 3 412.490 3.569 20 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MGTXJQJHHVOTOV-JTHBVZDNSA-N -1 3 424.541 3.558 20 0 HHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1nc(-c2ccccc2)cs1 ZINC000436635284 981485735 /nfs/dbraw/zinc/48/57/35/981485735.db2.gz OQTWFMNBSKRHCS-UHFFFAOYSA-N -1 3 407.495 3.550 20 0 HHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3CCS[C@H](C(C)C)C3)cs2)c1 ZINC000436641166 981489035 /nfs/dbraw/zinc/48/90/35/981489035.db2.gz UJOJVPVQAHWWHD-KRWDZBQOSA-N -1 3 419.572 3.552 20 0 HHADHM O=C(CCCOc1ccccc1)Nc1ccc(CNC(=O)c2c([O-])cccc2O)cc1 ZINC000436647909 981491195 /nfs/dbraw/zinc/49/11/95/981491195.db2.gz NPVJLDYFHMWOLW-UHFFFAOYSA-N -1 3 420.465 3.826 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc3oc(C(F)(F)F)nc3c2)c([O-])c1 ZINC000436664145 981499278 /nfs/dbraw/zinc/49/92/78/981499278.db2.gz HSDQPFGXLJNJPN-UHFFFAOYSA-N -1 3 407.348 3.619 20 0 HHADHM CCOC1CC2(C1)CCN(C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C2 ZINC000436667378 981500608 /nfs/dbraw/zinc/50/06/08/981500608.db2.gz UBMFICAXYMQLRQ-YGWFNULRSA-N -1 3 422.525 3.671 20 0 HHADHM COc1ccc(-c2csc(NC(=O)CCNC(=O)c3ccc(C)cc3[O-])n2)cc1 ZINC000436668281 981501489 /nfs/dbraw/zinc/50/14/89/981501489.db2.gz XGZCGWJQVCGUET-UHFFFAOYSA-N -1 3 411.483 3.591 20 0 HHADHM CCS[C@@H]1CC[C@H](N(C)C(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])C1 ZINC000436669511 981502098 /nfs/dbraw/zinc/50/20/98/981502098.db2.gz MLVOZXNWXRUFRQ-LSDHHAIUSA-N -1 3 403.504 3.687 20 0 HHADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)CC1 ZINC000436669975 981502534 /nfs/dbraw/zinc/50/25/34/981502534.db2.gz CGBZQYXQVQUHKI-PKTZIBPZSA-N -1 3 400.478 3.634 20 0 HHADHM COc1cc(Cl)ccc1CNC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000436670020 981502686 /nfs/dbraw/zinc/50/26/86/981502686.db2.gz OGMGMKFGOQQRIJ-UHFFFAOYSA-N -1 3 415.833 3.533 20 0 HHADHM Cc1nc(-c2ccccc2)sc1CNC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000436672778 981504811 /nfs/dbraw/zinc/50/48/11/981504811.db2.gz CLAHETPUTYUBIC-UHFFFAOYSA-N -1 3 409.511 3.569 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C)Cc2nc3ccccc3s2)c1 ZINC000436675805 981506179 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HHADHM Cc1cc(CN(C)C(=O)c2cc3c(cc2[O-])OCO3)cc(C)c1OCC(F)(F)F ZINC000436690586 981514442 /nfs/dbraw/zinc/51/44/42/981514442.db2.gz ZRXRKCULVPJVBH-UHFFFAOYSA-N -1 3 411.376 3.951 20 0 HHADHM C[C@H](NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1ccncc1F ZINC000436692962 981516057 /nfs/dbraw/zinc/51/60/57/981516057.db2.gz ZGGFTNQAHISHFF-BTYIYWSLSA-N -1 3 407.445 3.665 20 0 HHADHM COc1ccc(Cc2noc(-c3cc(OC)c([O-])c(OC)c3)n2)cc1OC(F)F ZINC000436692333 981516085 /nfs/dbraw/zinc/51/60/85/981516085.db2.gz WWZUDGOXDZDBCK-UHFFFAOYSA-N -1 3 408.357 3.660 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)c([O-])c1 ZINC000436694828 981517307 /nfs/dbraw/zinc/51/73/07/981517307.db2.gz CVRAVDPYLIQXCS-INIZCTEOSA-N -1 3 412.383 3.770 20 0 HHADHM CCOc1ccc(C2=CCN(C(=O)CCNC(=O)c3ccc(C)cc3[O-])CC2)cc1 ZINC000436696335 981518628 /nfs/dbraw/zinc/51/86/28/981518628.db2.gz ORNGFJNLSYXJQK-UHFFFAOYSA-N -1 3 408.498 3.535 20 0 HHADHM Cc1nc(COc2ccc(CN3CCN(C(=O)c4ccc([O-])cc4)CC3)cc2)cs1 ZINC000436697947 981519237 /nfs/dbraw/zinc/51/92/37/981519237.db2.gz WMIAXTJFJLWPBE-UHFFFAOYSA-N -1 3 423.538 3.694 20 0 HHADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)CC1 ZINC000436699675 981519872 /nfs/dbraw/zinc/51/98/72/981519872.db2.gz RIZRRPWQVPEKFO-UHFFFAOYSA-N -1 3 412.917 3.842 20 0 HHADHM CCC1(CNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCOCC1 ZINC000436705117 981521985 /nfs/dbraw/zinc/52/19/85/981521985.db2.gz NXLFVAMLOJABQJ-OAQYLSRUSA-N -1 3 410.514 3.576 20 0 HHADHM O=C(c1cc(Cl)cc(Br)c1[O-])N1CCN(C2CCCCC2)CC1 ZINC000436724730 981532698 /nfs/dbraw/zinc/53/26/98/981532698.db2.gz UENIKEFCDJUOFL-UHFFFAOYSA-N -1 3 401.732 3.899 20 0 HHADHM CC(C)[C@@]1(CO)CCCN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000436732080 981536812 /nfs/dbraw/zinc/53/68/12/981536812.db2.gz CACADXCHJNWZBL-RDGATRHJSA-N -1 3 424.541 3.511 20 0 HHADHM Cc1cc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c(F)cc1Br ZINC000436739554 981539428 /nfs/dbraw/zinc/53/94/28/981539428.db2.gz WORWYNADORMETQ-MRXNPFEDSA-N -1 3 421.266 3.846 20 0 HHADHM Cc1c(Cl)cc(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1Cl ZINC000436746178 981542715 /nfs/dbraw/zinc/54/27/15/981542715.db2.gz GEKNIBNZCLVXKG-UHFFFAOYSA-N -1 3 408.285 3.997 20 0 HHADHM Cc1cccc(-c2cncc(C(=O)NC3CCN(C(=O)c4ccccc4[O-])CC3)c2)c1 ZINC000436746081 981542841 /nfs/dbraw/zinc/54/28/41/981542841.db2.gz CZPFPQOSYSIVEZ-UHFFFAOYSA-N -1 3 415.493 3.797 20 0 HHADHM COc1ccc2[nH]cc(C3=CCN(C(=O)c4cc(OC)c([O-])c(OC)c4)CC3)c2c1 ZINC000436748000 981543435 /nfs/dbraw/zinc/54/34/35/981543435.db2.gz DAIZLAKTHHPRBV-UHFFFAOYSA-N -1 3 408.454 3.829 20 0 HHADHM O=C(NCCNC(=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1)c1ccc([O-])cc1 ZINC000436748178 981543839 /nfs/dbraw/zinc/54/38/39/981543839.db2.gz RDOCYCGFTIFQRW-ROUUACIJSA-N -1 3 421.522 3.598 20 0 HHADHM O=C(NCCNC(=O)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1)c1ccc([O-])cc1 ZINC000436748177 981543905 /nfs/dbraw/zinc/54/39/05/981543905.db2.gz RDOCYCGFTIFQRW-QZTJIDSGSA-N -1 3 421.522 3.598 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@H](C1CC1)C(F)(F)F ZINC000436751276 981545183 /nfs/dbraw/zinc/54/51/83/981545183.db2.gz RIHZUQQCSVCYPE-IEBWSBKVSA-N -1 3 406.404 3.711 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@H](C1CC1)C(F)(F)F ZINC000436751278 981545206 /nfs/dbraw/zinc/54/52/06/981545206.db2.gz RIHZUQQCSVCYPE-PKOBYXMFSA-N -1 3 406.404 3.711 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@@H](C1CC1)C(F)(F)F ZINC000436751275 981545290 /nfs/dbraw/zinc/54/52/90/981545290.db2.gz RIHZUQQCSVCYPE-HKUYNNGSSA-N -1 3 406.404 3.711 20 0 HHADHM O=C(Nc1nccs1)[C@@H]1CCCN1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436755811 981547571 /nfs/dbraw/zinc/54/75/71/981547571.db2.gz ADXNZIYMFZGDOZ-IBGZPJMESA-N -1 3 421.522 3.877 20 0 HHADHM CC(C)N(C)c1cccc(NC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000436756541 981547582 /nfs/dbraw/zinc/54/75/82/981547582.db2.gz RZNIXXRQQIXXJN-UHFFFAOYSA-N -1 3 410.518 3.663 20 0 HHADHM CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cc(CC)ccc1[O-] ZINC000436756770 981547601 /nfs/dbraw/zinc/54/76/01/981547601.db2.gz FGYRPMDFPGFSPA-UHFFFAOYSA-N -1 3 414.502 3.841 20 0 HHADHM CC(C)c1ccc(O[C@@H](C)CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000436769576 981554102 /nfs/dbraw/zinc/55/41/02/981554102.db2.gz KEBPVXKYOUNHBI-UWJYYQICSA-N -1 3 410.514 3.704 20 0 HHADHM COc1ccc(-c2nnc(SCc3noc(-c4ccccc4[O-])n3)o2)cc1OC ZINC000436774425 981556022 /nfs/dbraw/zinc/55/60/22/981556022.db2.gz BCUAULFBVKMFQF-UHFFFAOYSA-N -1 3 412.427 3.802 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2C[C@@H](c3ccccc3C)C2)c1 ZINC000436781533 981558708 /nfs/dbraw/zinc/55/87/08/981558708.db2.gz UPWOYVMIGPLQHI-JCNLHEQBSA-N -1 3 405.454 3.925 20 0 HHADHM COc1ccc([C@H](NC(=O)c2cc(NC(C)=O)ccc2[O-])c2ccccc2OC)cc1 ZINC000436786866 981561328 /nfs/dbraw/zinc/56/13/28/981561328.db2.gz KZXSETYHRLNJLM-QHCPKHFHSA-N -1 3 420.465 3.887 20 0 HHADHM CC(C)(C)c1ccc(CCCC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000436791399 981563497 /nfs/dbraw/zinc/56/34/97/981563497.db2.gz 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/nfs/dbraw/zinc/58/63/14/981586314.db2.gz KWMGUQINBJVQSQ-FQEVSTJZSA-N -1 3 415.555 3.607 20 0 HHADHM C[C@H](c1nc2ccccc2n1C(F)F)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436846787 981587857 /nfs/dbraw/zinc/58/78/57/981587857.db2.gz YIRRCCHMOMNUOO-CQSZACIVSA-N -1 3 400.429 3.656 20 0 HHADHM C[C@]1(c2ccccc2)CCCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000436849192 981588992 /nfs/dbraw/zinc/58/89/92/981588992.db2.gz DVFHLNQKQMWQSU-OFVILXPXSA-N -1 3 406.526 3.967 20 0 HHADHM CCCc1c(NC(=O)CCNC(=O)c2ccc(C)cc2[O-])cnn1-c1ccc(F)cc1 ZINC000436871478 981598191 /nfs/dbraw/zinc/59/81/91/981598191.db2.gz UEAVKAZZIAJJMN-UHFFFAOYSA-N -1 3 424.476 3.737 20 0 HHADHM CC(C)c1ccc2c(c1)[C@@H](NC(=O)N1CCN(C(=O)c3ccc([O-])cc3)CC1)CC2 ZINC000436871893 981598215 /nfs/dbraw/zinc/59/82/15/981598215.db2.gz UJSRCPZLPIRKHT-QFIPXVFZSA-N -1 3 407.514 3.671 20 0 HHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000436889129 981602614 /nfs/dbraw/zinc/60/26/14/981602614.db2.gz PLNSUWFBGNIDNQ-REWPJTCUSA-N -1 3 418.537 3.793 20 0 HHADHM Cc1cc(Br)c(F)cc1NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436892435 981603316 /nfs/dbraw/zinc/60/33/16/981603316.db2.gz LUTBOIWKQAGZRR-INIZCTEOSA-N -1 3 421.266 3.846 20 0 HHADHM COc1ccc([C@H](NC(=O)c2cc(OC)c([O-])c(OC)c2)c2ccccc2OC)cc1 ZINC000436892984 981603543 /nfs/dbraw/zinc/60/35/43/981603543.db2.gz LHBAVGWIAJOBAQ-QFIPXVFZSA-N -1 3 423.465 3.946 20 0 HHADHM O=C(CC1(CSc2ccccc2)CC1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436901525 981607690 /nfs/dbraw/zinc/60/76/90/981607690.db2.gz RAJROEQFGAEVIK-UHFFFAOYSA-N -1 3 410.539 3.639 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@H]1C[C@H]1c1ccccc1 ZINC000436902278 981608543 /nfs/dbraw/zinc/60/85/43/981608543.db2.gz FARFDJLZBZPBOL-VABKMULXSA-N -1 3 400.478 3.926 20 0 HHADHM C[C@H](CCc1ccco1)NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436904379 981610107 /nfs/dbraw/zinc/61/01/07/981610107.db2.gz PQIOXNLIYYMGNB-VGSWGCGISA-N -1 3 406.482 3.984 20 0 HHADHM 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ZINC000436912697 981618600 /nfs/dbraw/zinc/61/86/00/981618600.db2.gz HQYWWGZMFJPFNV-QHCPKHFHSA-N -1 3 417.509 3.506 20 0 HHADHM CC(C)COC1CCN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC1 ZINC000436914315 981620413 /nfs/dbraw/zinc/62/04/13/981620413.db2.gz YUTDHTDNTNWFMB-QHCPKHFHSA-N -1 3 424.541 3.917 20 0 HHADHM Cc1nc2ccc(NC(=O)NC3CCN(C(=O)c4ccccc4[O-])CC3)cc2s1 ZINC000436916588 981622120 /nfs/dbraw/zinc/62/21/20/981622120.db2.gz AEAHDUPZPPJZSG-UHFFFAOYSA-N -1 3 410.499 3.737 20 0 HHADHM Cc1ccccc1[C@@H](NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)C(C)(C)C ZINC000436916561 981622138 /nfs/dbraw/zinc/62/21/38/981622138.db2.gz AAZSLBJLAHWGJR-OAQYLSRUSA-N -1 3 409.530 3.955 20 0 HHADHM O=C(Nc1cccc(Oc2ccncc2)c1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436916880 981622175 /nfs/dbraw/zinc/62/21/75/981622175.db2.gz BGULBBCHQBJQGV-UHFFFAOYSA-N -1 3 418.453 3.569 20 0 HHADHM O=C(Nc1ccccc1OC(F)(F)F)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436918206 981623052 /nfs/dbraw/zinc/62/30/52/981623052.db2.gz 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C[C@@H](Sc1ccc(Cl)cc1)C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436949736 981639978 /nfs/dbraw/zinc/63/99/78/981639978.db2.gz ZASGQSJGSFOWBE-CQSZACIVSA-N -1 3 418.946 3.947 20 0 HHADHM CCNC(=O)COc1ccc(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])cc1 ZINC000436951920 981642248 /nfs/dbraw/zinc/64/22/48/981642248.db2.gz HEDVHFVFJBCKBM-UHFFFAOYSA-N -1 3 406.438 3.952 20 0 HHADHM CC[C@@H](Cc1ccccc1Br)N(C)C(=O)c1cc2c(cc1[O-])OCO2 ZINC000436963662 981651028 /nfs/dbraw/zinc/65/10/28/981651028.db2.gz FBNMFRRNBNBBMG-ZDUSSCGKSA-N -1 3 406.276 3.977 20 0 HHADHM CC(C)c1nc([C@@H]2COCCN2C(=O)c2cc(Oc3ccccc3)ccc2[O-])no1 ZINC000436963929 981651150 /nfs/dbraw/zinc/65/11/50/981651150.db2.gz FMHHXTTZGLCDGJ-SFHVURJKSA-N -1 3 409.442 3.905 20 0 HHADHM CC(C)c1nc([C@H]2COCCN2C(=O)c2cc(CCc3ccccc3)ccc2[O-])no1 ZINC000436968331 981654425 /nfs/dbraw/zinc/65/44/25/981654425.db2.gz SPPPHBSQXZHQCD-HXUWFJFHSA-N -1 3 421.497 3.898 20 0 HHADHM CC(C)Oc1cc(F)ccc1NC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436970560 981656091 /nfs/dbraw/zinc/65/60/91/981656091.db2.gz DVSXGHCFJQFDJC-UHFFFAOYSA-N -1 3 415.465 3.745 20 0 HHADHM CCC1(CC)[C@@H](OC)C[C@@H]1N(C)C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000436974686 981659516 /nfs/dbraw/zinc/65/95/16/981659516.db2.gz AQYAPJFCPWHOCZ-OALUTQOASA-N -1 3 415.490 3.607 20 0 HHADHM CSc1cc(C)ccc1CNC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000436975205 981660420 /nfs/dbraw/zinc/66/04/20/981660420.db2.gz IDWQYLRWRVSWSY-UHFFFAOYSA-N -1 3 411.483 3.901 20 0 HHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NC[C@@H](C)c3ccccc3)cs2)c1 ZINC000436977018 981662099 /nfs/dbraw/zinc/66/20/99/981662099.db2.gz COGINJYIFRWNKM-OAHLLOKOSA-N -1 3 409.511 3.872 20 0 HHADHM CCOC(=O)Cc1csc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])n1 ZINC000436978033 981662678 /nfs/dbraw/zinc/66/26/78/981662678.db2.gz GGJIXITUCHVEDB-UHFFFAOYSA-N -1 3 412.467 3.786 20 0 HHADHM CCC1(CC)[C@H](NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])[C@@H](C)[C@@H]1OC ZINC000436981965 981665251 /nfs/dbraw/zinc/66/52/51/981665251.db2.gz WGXBBZQNTHMUAB-DPMMWBKBSA-N -1 3 415.490 3.510 20 0 HHADHM Cc1cnc([C@@H](C)CNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)s1 ZINC000436987641 981670363 /nfs/dbraw/zinc/67/03/63/981670363.db2.gz IQXSBKWQFVNYRE-YWZLYKJASA-N -1 3 423.538 3.938 20 0 HHADHM CCCCOc1ccc(C(=O)N[C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)c([O-])c1 ZINC000436988445 981670997 /nfs/dbraw/zinc/67/09/97/981670997.db2.gz PIKVHLMFJPNTJP-KRWDZBQOSA-N -1 3 424.476 3.714 20 0 HHADHM C[C@@H]1CN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C[C@]2(CCO[C@H](C)C2)O1 ZINC000436995607 981675368 /nfs/dbraw/zinc/67/53/68/981675368.db2.gz BIZGKQBCKMHBMF-MPCDZSKCSA-N -1 3 409.526 3.976 20 0 HHADHM O=C(Nc1ccc(F)c(C(F)(F)F)c1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000437001790 981678215 /nfs/dbraw/zinc/67/82/15/981678215.db2.gz LFMVPWUNIGSHNN-UHFFFAOYSA-N -1 3 411.355 3.540 20 0 HHADHM CC[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)CCS1 ZINC000437078192 981748914 /nfs/dbraw/zinc/74/89/14/981748914.db2.gz QFGPTVOFXYITFE-OAHLLOKOSA-N -1 3 408.520 3.594 20 0 HHADHM O=C([N-]c1ncn(Cc2cccc(Br)c2)n1)c1cc(F)c(F)cc1F ZINC000437245306 981903073 /nfs/dbraw/zinc/90/30/73/981903073.db2.gz JMCNFNLHYCCJSW-UHFFFAOYSA-N -1 3 411.181 3.759 20 0 HHADHM CCOc1ccc(NC(=O)C(=O)Nc2cccc(-c3nc(CC)cc(=O)[n-]3)c2)c(C)c1 ZINC000437252776 981910874 /nfs/dbraw/zinc/91/08/74/981910874.db2.gz RJQGTIGGGODDTI-UHFFFAOYSA-N -1 3 420.469 3.696 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(F)c2)cc1Br ZINC000437322013 981973021 /nfs/dbraw/zinc/97/30/21/981973021.db2.gz JQHZGIQYLMERPO-UHFFFAOYSA-N -1 3 410.268 3.883 20 0 HHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1cccc(Oc2ccccn2)c1 ZINC000437479557 982106987 /nfs/dbraw/zinc/10/69/87/982106987.db2.gz JMWAJPCCQJSEDE-UHFFFAOYSA-N -1 3 401.426 3.991 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2Cl)c(Cl)c1Cl ZINC000460419027 982205705 /nfs/dbraw/zinc/20/57/05/982205705.db2.gz HYFMUVZPWLUPDP-UHFFFAOYSA-N -1 3 409.678 3.555 20 0 HHADHM O=S(=O)([N-]c1ccsc1Cl)c1cc2c(cc1Br)OCCO2 ZINC000437673216 982288085 /nfs/dbraw/zinc/28/80/85/982288085.db2.gz XFGYUDMNPAIJMN-UHFFFAOYSA-N -1 3 410.698 3.736 20 0 HHADHM CCC(CC)c1cc(CNC(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)on1 ZINC000437834412 982391821 /nfs/dbraw/zinc/39/18/21/982391821.db2.gz DASZTQOWAXTGIM-UHFFFAOYSA-N -1 3 424.523 3.670 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@@H](CC(F)(F)F)C(C)C)cc1OC ZINC000437912850 982459509 /nfs/dbraw/zinc/45/95/09/982459509.db2.gz FOMOYDUWFAODCO-ZDUSSCGKSA-N -1 3 411.446 3.555 20 0 HHADHM Cc1nc(C)c(CCC(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)c(=O)[n-]1 ZINC000438172860 982632081 /nfs/dbraw/zinc/63/20/81/982632081.db2.gz JHNVPDFNJPDGLM-HDJSIYSDSA-N -1 3 422.298 3.696 20 0 HHADHM O=S(=O)([N-]Cc1ncc(-c2ccccc2)cn1)c1cc(F)ccc1Br ZINC000460907797 982643899 /nfs/dbraw/zinc/64/38/99/982643899.db2.gz MFPARMCJJUVHKI-UHFFFAOYSA-N -1 3 422.279 3.524 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@H]3[C@@H](C)C3(F)F)ccc2C)cc1 ZINC000460992812 982713185 /nfs/dbraw/zinc/71/31/85/982713185.db2.gz PUFCDQIRFJEMAK-SJKOYZFVSA-N -1 3 410.442 3.644 20 0 HHADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H](C)Oc3ccc(Br)cc3)nc21 ZINC000438350583 982738531 /nfs/dbraw/zinc/73/85/31/982738531.db2.gz WIKXEGWSSGDOTJ-SNVBAGLBSA-N -1 3 418.247 3.518 20 0 HHADHM O=C1[N-][C@](c2ccccc2)(C(F)(F)F)C(=O)N1Cc1cncc(C(F)(F)F)c1 ZINC000461064348 982761280 /nfs/dbraw/zinc/76/12/80/982761280.db2.gz JQRAJOSPPOEPSB-HNNXBMFYSA-N -1 3 403.282 3.610 20 0 HHADHM CSCc1cccc(CNC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])c1 ZINC000438394146 982763631 /nfs/dbraw/zinc/76/36/31/982763631.db2.gz HJVZGLWHHDLWNA-UHFFFAOYSA-N -1 3 411.483 3.734 20 0 HHADHM O=S(=O)([N-]c1cc(Cl)ccc1Br)c1cccc2c1OCCO2 ZINC000461129890 982830350 /nfs/dbraw/zinc/83/03/50/982830350.db2.gz ODUCULASSHWEFR-UHFFFAOYSA-N -1 3 404.669 3.675 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC000461308588 983007014 /nfs/dbraw/zinc/00/70/14/983007014.db2.gz NIPJRJKYOZGJOR-YCRPNKLZSA-N -1 3 420.488 3.822 20 0 HHADHM O=C(Nc1ccccc1)[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000438701611 983012970 /nfs/dbraw/zinc/01/29/70/983012970.db2.gz FXLQRAIJCOSBAG-HSZRJFAPSA-N -1 3 415.493 3.530 20 0 HHADHM CC[C@H](C)n1ncc([N-]S(=O)(=O)CCc2ccccc2Br)c1C ZINC000461331115 983022326 /nfs/dbraw/zinc/02/23/26/983022326.db2.gz JUEMLJWZALLSNA-LBPRGKRZSA-N -1 3 400.342 3.909 20 0 HHADHM CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)[N-]c3cccc(C4CCC4)c3)ccc2O1 ZINC000461346992 983031259 /nfs/dbraw/zinc/03/12/59/983031259.db2.gz ONICDKWCIQFHCC-HXUWFJFHSA-N -1 3 401.484 3.622 20 0 HHADHM CC[C@@H](C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)N(CC)CC ZINC000461352381 983033689 /nfs/dbraw/zinc/03/36/89/983033689.db2.gz KSCYJJRZNOGCJI-IBGZPJMESA-N -1 3 407.511 3.685 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)NCc3ncc(-c4ccccc4)cn3)cc2)cc(=O)[n-]1 ZINC000461401077 983071122 /nfs/dbraw/zinc/07/11/22/983071122.db2.gz IQLDAEKWHANCFE-UHFFFAOYSA-N -1 3 412.453 3.936 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2cccc(F)c2C)c1 ZINC000438803802 983080781 /nfs/dbraw/zinc/08/07/81/983080781.db2.gz GNTQHCBMAQQHMN-UHFFFAOYSA-N -1 3 407.398 3.623 20 0 HHADHM COc1cc(OC)c(S(=O)(=O)[N-]c2c(C)cccc2F)cc1Br ZINC000461423507 983086576 /nfs/dbraw/zinc/08/65/76/983086576.db2.gz BCHMZFQHOINTJE-UHFFFAOYSA-N -1 3 404.257 3.715 20 0 HHADHM Cc1ccccc1-c1nc(C[N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)no1 ZINC000438895709 983141280 /nfs/dbraw/zinc/14/12/80/983141280.db2.gz KSIOPTFURNLNDR-UHFFFAOYSA-N -1 3 411.405 3.683 20 0 HHADHM Cc1ccccc1CS(=O)(=O)[N-]C1(c2noc([C@@H]3CCOC3)n2)CCCCCC1 ZINC000438952476 983174737 /nfs/dbraw/zinc/17/47/37/983174737.db2.gz YAPJTORYQNBUOT-QGZVFWFLSA-N -1 3 419.547 3.551 20 0 HHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N(CCC(F)(F)F)CC1CC1 ZINC000438978612 983191623 /nfs/dbraw/zinc/19/16/23/983191623.db2.gz WHCFDGRJOVQMNH-UHFFFAOYSA-N -1 3 408.424 3.676 20 0 HHADHM CS(=O)(=O)Cc1cccc(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])c1 ZINC000439056657 983231256 /nfs/dbraw/zinc/23/12/56/983231256.db2.gz JCCIHXAEHGTGGQ-UHFFFAOYSA-N -1 3 409.507 3.974 20 0 HHADHM CN1CCN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c2ccccc21 ZINC000439061786 983232896 /nfs/dbraw/zinc/23/28/96/983232896.db2.gz VTEBIBSVGGYCTO-NRFANRHFSA-N -1 3 415.493 3.736 20 0 HHADHM Cn1c2cc([O-])c(NC(=O)C3(Cc4ccc(C(F)(F)F)cc4)CC3)cc2n(C)c1=O ZINC000461625022 983246890 /nfs/dbraw/zinc/24/68/90/983246890.db2.gz TUFCCMOELUFDKC-UHFFFAOYSA-N -1 3 419.403 3.563 20 0 HHADHM O=S(=O)([N-]Cc1noc(-c2cccc(F)c2)n1)c1cccc(Cl)c1Cl ZINC000439198155 983305585 /nfs/dbraw/zinc/30/55/85/983305585.db2.gz JTFXJGPFOLHISX-UHFFFAOYSA-N -1 3 402.234 3.661 20 0 HHADHM O=S(=O)([N-]c1cc(-c2nc[nH]n2)ccc1F)c1ccc(F)cc1C(F)(F)F ZINC000439242822 983327829 /nfs/dbraw/zinc/32/78/29/983327829.db2.gz AXDXQMAYBSGDRR-UHFFFAOYSA-N -1 3 404.320 3.570 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)Nc3cccc([C@H](C)OC)c3)c2)n1 ZINC000439553951 983447247 /nfs/dbraw/zinc/44/72/47/983447247.db2.gz ZGSGSBGTTJAUDB-AWEZNQCLSA-N -1 3 420.469 3.696 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N([C@H](C)[C@@H](C)CC)C3CC3)c2)n1 ZINC000439579102 983459275 /nfs/dbraw/zinc/45/92/75/983459275.db2.gz YSMBAQPMGGLVED-LSDHHAIUSA-N -1 3 410.518 3.776 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1cc(F)c(Br)cc1Cl ZINC000439654497 983485610 /nfs/dbraw/zinc/48/56/10/983485610.db2.gz ZJTVIRLTJUMXEC-UHFFFAOYSA-N -1 3 416.560 3.700 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](c2ccc(C(F)(F)F)cc2)C(C)C)c(C)o1 ZINC000439659780 983488357 /nfs/dbraw/zinc/48/83/57/983488357.db2.gz VNXRCAKMKHYTKM-INIZCTEOSA-N -1 3 418.437 3.642 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCC([C@@H]2CCCO2)CC1 ZINC000439893403 983573465 /nfs/dbraw/zinc/57/34/65/983573465.db2.gz KVFGBENJMPWVFF-GOTSBHOMSA-N -1 3 422.525 3.671 20 0 HHADHM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccc(CCC(F)(F)F)cc2)cc1 ZINC000440301215 983711588 /nfs/dbraw/zinc/71/15/88/983711588.db2.gz FZNRRCUODNTHNJ-UHFFFAOYSA-N -1 3 400.422 3.965 20 0 HHADHM Cc1cc(S(=O)(=O)[N-][C@@H](c2nccn2C)c2ccc(Cl)cc2)c(F)cc1F ZINC000440386994 983740779 /nfs/dbraw/zinc/74/07/79/983740779.db2.gz UKVLOBRSFZQALZ-QGZVFWFLSA-N -1 3 411.861 3.728 20 0 HHADHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2ccc(NC(=O)NC3CC3)cc2)c(F)cc1F ZINC000440395391 983743465 /nfs/dbraw/zinc/74/34/65/983743465.db2.gz CIPGMMYXEOXIAE-GFCCVEGCSA-N -1 3 409.458 3.597 20 0 HHADHM Cn1cnc2cc(NC(=O)c3ccc(S(=O)(=O)[N-]c4ccccc4F)cc3)ccc21 ZINC000440543264 983789987 /nfs/dbraw/zinc/78/99/87/983789987.db2.gz ATMANBKMDHEAMK-UHFFFAOYSA-N -1 3 424.457 3.766 20 0 HHADHM CC(C)[C@@H](C(=O)Nc1ccc([O-])c(C(F)(F)F)c1)N1C(=O)c2ccccc2C1=O ZINC000441008684 984019958 /nfs/dbraw/zinc/01/99/58/984019958.db2.gz LCSORFHQYFZKGE-INIZCTEOSA-N -1 3 406.360 3.670 20 0 HHADHM COc1cccc(C(C)(C)CNC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000441628999 984363099 /nfs/dbraw/zinc/36/30/99/984363099.db2.gz VASRZBFEGMICFR-UHFFFAOYSA-N -1 3 407.308 3.940 20 0 HHADHM CCC[C@@H](C)[C@H]1CCCN1C(=O)C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000442173999 984696821 /nfs/dbraw/zinc/69/68/21/984696821.db2.gz QTXGXTMYFPJPJV-DNVCBOLYSA-N -1 3 410.518 3.777 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2CCCN(c3ccccc3)C2)s1 ZINC000462128496 985098922 /nfs/dbraw/zinc/09/89/22/985098922.db2.gz HIZVDSSDBZERHO-CYBMUJFWSA-N -1 3 415.378 3.766 20 0 HHADHM O=S(=O)([N-][C@@H]1CCCN(c2ccccc2Cl)C1)c1cnccc1C(F)(F)F ZINC000442738289 985195232 /nfs/dbraw/zinc/19/52/32/985195232.db2.gz PYIWFGVRAMDGFL-GFCCVEGCSA-N -1 3 419.856 3.701 20 0 HHADHM O=C1[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2Cl)CCCN1C1CCCCC1 ZINC000442753674 985203731 /nfs/dbraw/zinc/20/37/31/985203731.db2.gz WHPQEQZIHLEEHX-AWEZNQCLSA-N -1 3 405.347 3.595 20 0 HHADHM O=S(=O)([N-][C@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1cnccc1C(F)(F)F ZINC000442768280 985209190 /nfs/dbraw/zinc/20/91/90/985209190.db2.gz LEVFXQFTFILEHE-MFKMUULPSA-N -1 3 410.339 3.954 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(COCCOC)cc3)c2)n1 ZINC000462258377 985245204 /nfs/dbraw/zinc/24/52/04/985245204.db2.gz PMJANLZLQOMCLI-UHFFFAOYSA-N -1 3 407.470 3.827 20 0 HHADHM CC[C@H](NS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC000442916775 985278610 /nfs/dbraw/zinc/27/86/10/985278610.db2.gz AMRFXRUUAWFLQT-HNNXBMFYSA-N -1 3 412.302 3.603 20 0 HHADHM CC[C@H](NS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC000442916775 985278623 /nfs/dbraw/zinc/27/86/23/985278623.db2.gz AMRFXRUUAWFLQT-HNNXBMFYSA-N -1 3 412.302 3.603 20 0 HHADHM COc1ccccc1[C@@]1(C)C[C@H]1[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000462312926 985300016 /nfs/dbraw/zinc/30/00/16/985300016.db2.gz HDTDPPOERHMQHB-GDBMZVCRSA-N -1 3 416.362 3.836 20 0 HHADHM COc1ccccc1[C@]1(C)C[C@@H]1[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000462312928 985300333 /nfs/dbraw/zinc/30/03/33/985300333.db2.gz HDTDPPOERHMQHB-HOCLYGCPSA-N -1 3 416.362 3.836 20 0 HHADHM CN1CCC[C@@H](C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)[C@H]1c1cccs1 ZINC000462317908 985306638 /nfs/dbraw/zinc/30/66/38/985306638.db2.gz RTCRMKJXRDSQPY-GTNSWQLSSA-N -1 3 404.479 3.527 20 0 HHADHM Cc1ncc(CNC(=O)N[C@H](Cc2ccccc2C(F)(F)F)C(C)(C)C)c(=O)[n-]1 ZINC000462319074 985307924 /nfs/dbraw/zinc/30/79/24/985307924.db2.gz ODGDRGKRSDOEQE-MRXNPFEDSA-N -1 3 410.440 3.966 20 0 HHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)c1ccc(F)c(Cl)c1 ZINC000443012941 985335885 /nfs/dbraw/zinc/33/58/85/985335885.db2.gz UKQFJYZKJIILAV-SECBINFHSA-N -1 3 406.262 3.959 20 0 HHADHM Cc1ccc([C@H]2C[C@H](C)CCN2S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)o1 ZINC000443017971 985338829 /nfs/dbraw/zinc/33/88/29/985338829.db2.gz ATYIBOCHUDXADL-BDJLRTHQSA-N -1 3 421.910 3.583 20 0 HHADHM Cc1ccc([C@H]2C[C@H](C)CCN2S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)o1 ZINC000443017971 985338838 /nfs/dbraw/zinc/33/88/38/985338838.db2.gz ATYIBOCHUDXADL-BDJLRTHQSA-N -1 3 421.910 3.583 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](C)c1nc(-c2ccccc2)cs1 ZINC000443063744 985357974 /nfs/dbraw/zinc/35/79/74/985357974.db2.gz AVHYJSVQHAOOCR-GFCCVEGCSA-N -1 3 420.487 3.775 20 0 HHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000443064836 985358601 /nfs/dbraw/zinc/35/86/01/985358601.db2.gz DDSSJKLJKURVSP-LLVKDONJSA-N -1 3 419.396 3.541 20 0 HHADHM COCCCN1Cc2cccc([N-]S(=O)(=O)c3ccc(OCC(C)C)cc3)c2C1 ZINC000462380146 985363734 /nfs/dbraw/zinc/36/37/34/985363734.db2.gz NCWQHJNUNKBHHG-UHFFFAOYSA-N -1 3 418.559 3.874 20 0 HHADHM CC[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)OC)c1nc(C)cs1 ZINC000443076035 985363791 /nfs/dbraw/zinc/36/37/91/985363791.db2.gz XWWIBUUFXBAJTM-GFCCVEGCSA-N -1 3 422.450 3.687 20 0 HHADHM CO[C@@H](C[N-]S(=O)(=O)c1cc(Br)ccc1F)c1ccc(Cl)cc1 ZINC000462406582 985382958 /nfs/dbraw/zinc/38/29/58/985382958.db2.gz AJQDEEYVFRUIPQ-AWEZNQCLSA-N -1 3 422.703 3.908 20 0 HHADHM CCOC(=O)[C@@H](C[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl)c1ccccc1 ZINC000462411989 985386778 /nfs/dbraw/zinc/38/67/78/985386778.db2.gz WQIDYHCGMCLUPD-AWEZNQCLSA-N -1 3 416.326 3.927 20 0 HHADHM Cc1nc(C2([N-]S(=O)(=O)c3ccc(C(=O)C(C)C)cc3)CCCCCC2)no1 ZINC000462437949 985404893 /nfs/dbraw/zinc/40/48/93/985404893.db2.gz QJWKRXPMPIYLQO-UHFFFAOYSA-N -1 3 405.520 3.745 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@H](c2cccc(F)c2)N(C)C)s1 ZINC000462472589 985430563 /nfs/dbraw/zinc/43/05/63/985430563.db2.gz LNNWMKPARPWYFR-AWEZNQCLSA-N -1 3 421.357 3.539 20 0 HHADHM O=S(=O)([N-]CCc1ccccc1O)c1ccc(Br)cc1C(F)(F)F ZINC000443190918 985436054 /nfs/dbraw/zinc/43/60/54/985436054.db2.gz GLOBDIQINKVDDC-UHFFFAOYSA-N -1 3 424.238 3.695 20 0 HHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]Cc1ccncc1OCC(F)F ZINC000443228558 985452767 /nfs/dbraw/zinc/45/27/67/985452767.db2.gz RWRQSOJMRBMWIJ-UHFFFAOYSA-N -1 3 416.833 3.912 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCOc2cc(C)cc(C)c2)s1 ZINC000462508650 985460335 /nfs/dbraw/zinc/46/03/35/985460335.db2.gz GEIHQICBUINDPK-UHFFFAOYSA-N -1 3 404.351 3.793 20 0 HHADHM C[C@@H](Cc1ccc(Br)cc1)[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000462516246 985466715 /nfs/dbraw/zinc/46/67/15/985466715.db2.gz HBTQXGOMJPTZBB-VIFPVBQESA-N -1 3 408.239 3.776 20 0 HHADHM CC[C@H](C)[C@](C)(O)C[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000443298976 985480134 /nfs/dbraw/zinc/48/01/34/985480134.db2.gz IHEPAEMNWMDNFI-TVQRCGJNSA-N -1 3 418.275 3.543 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@H](c2ccc(C)cc2)N(C)C)s1 ZINC000462537936 985486240 /nfs/dbraw/zinc/48/62/40/985486240.db2.gz QEPMKXVONZZISD-OAHLLOKOSA-N -1 3 417.394 3.709 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@H]2CCN(c3ccccc3)C2)s1 ZINC000462555256 985503561 /nfs/dbraw/zinc/50/35/61/985503561.db2.gz WHLZSYBBPLOWKM-ZDUSSCGKSA-N -1 3 415.378 3.624 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000443352279 985516124 /nfs/dbraw/zinc/51/61/24/985516124.db2.gz CNILLRSQRMNLPT-AWEZNQCLSA-N -1 3 414.458 3.714 20 0 HHADHM O=S(=O)([N-]C[C@@H](CO)c1ccccc1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000443360772 985523162 /nfs/dbraw/zinc/52/31/62/985523162.db2.gz SSJMUVFUVOCNFJ-HNNXBMFYSA-N -1 3 408.932 3.518 20 0 HHADHM O=S(=O)([N-]C1(c2cccc(F)c2)CCOCC1)c1ccc(F)cc1C(F)(F)F ZINC000462578476 985526020 /nfs/dbraw/zinc/52/60/20/985526020.db2.gz LRFOPSYNTWTJOR-UHFFFAOYSA-N -1 3 421.387 3.968 20 0 HHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]C(C)(C)c1ccc(F)c(F)c1 ZINC000443370654 985531420 /nfs/dbraw/zinc/53/14/20/985531420.db2.gz JDCLRNFBEMXBIM-UHFFFAOYSA-N -1 3 403.834 3.618 20 0 HHADHM CC1(C)CN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC(C)(C)O1 ZINC000443380293 985539779 /nfs/dbraw/zinc/53/97/79/985539779.db2.gz HXEKCAPEVUDVPZ-HXUWFJFHSA-N -1 3 410.514 3.669 20 0 HHADHM C[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)c1cncc([N-]S(C)(=O)=O)c1 ZINC000462646161 985586707 /nfs/dbraw/zinc/58/67/07/985586707.db2.gz VSYXIXSAKPKPMK-QGZVFWFLSA-N -1 3 409.511 3.857 20 0 HHADHM C[C@H]([N-]S(=O)(=O)c1ccccc1OC(F)F)c1nc(-c2cccc(F)c2)no1 ZINC000462659051 985598821 /nfs/dbraw/zinc/59/88/21/985598821.db2.gz PPVOIHLBTCXTRN-JTQLQIEISA-N -1 3 413.377 3.517 20 0 HHADHM COc1ccccc1-c1noc([C@@H](C)[N-]S(=O)(=O)Cc2ccccc2Cl)n1 ZINC000462659751 985599897 /nfs/dbraw/zinc/59/98/97/985599897.db2.gz QXHUSRRUBFVHIF-GFCCVEGCSA-N -1 3 407.879 3.579 20 0 HHADHM Cc1coc(-c2cccc(NC(=O)CCc3c(C)nc(-c4ccncc4)[n-]c3=O)c2)n1 ZINC000467968396 985609618 /nfs/dbraw/zinc/60/96/18/985609618.db2.gz INEPKQSUPUKSFK-UHFFFAOYSA-N -1 3 415.453 3.675 20 0 HHADHM COc1cccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccc(Cl)cc3C)n2)c1 ZINC000462677386 985615784 /nfs/dbraw/zinc/61/57/84/985615784.db2.gz KYRLVSQHZLJPNZ-LBPRGKRZSA-N -1 3 407.879 3.747 20 0 HHADHM CCC(=O)NCc1cc(S(=O)(=O)[N-]c2ccc(OC(C)(C)C)cc2)ccc1OC ZINC000443452465 985620049 /nfs/dbraw/zinc/62/00/49/985620049.db2.gz HYMNKWRVJATKKH-UHFFFAOYSA-N -1 3 420.531 3.700 20 0 HHADHM CO[C@H](C[N-]S(=O)(=O)c1cc(Br)ccc1F)c1cccc(Cl)c1 ZINC000462682057 985621121 /nfs/dbraw/zinc/62/11/21/985621121.db2.gz RGXRBWXWTKGKCV-CQSZACIVSA-N -1 3 422.703 3.908 20 0 HHADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Br)s1)Oc1ccccc1Cl ZINC000462699162 985641073 /nfs/dbraw/zinc/64/10/73/985641073.db2.gz DLJAYUHXSOLCOA-VIFPVBQESA-N -1 3 410.742 3.910 20 0 HHADHM O=S(=O)([N-]CCC[C@@H]1CCCC[C@@H]1O)c1cc(Br)ccc1Cl ZINC000443488589 985663369 /nfs/dbraw/zinc/66/33/69/985663369.db2.gz MGHQDPNROGUIJO-FZMZJTMJSA-N -1 3 410.761 3.712 20 0 HHADHM COc1ccc(S(=O)(=O)NCc2ccc([O-])c(Br)c2)c2ccccc12 ZINC000443493260 985667044 /nfs/dbraw/zinc/66/70/44/985667044.db2.gz RCAHYKQODCJNPU-UHFFFAOYSA-N -1 3 422.300 3.795 20 0 HHADHM CC(C)(CO)[C@H](C[N-]S(=O)(=O)c1ccc(Br)s1)c1ccccc1 ZINC000443494816 985668196 /nfs/dbraw/zinc/66/81/96/985668196.db2.gz DLKFUPDJZGRISJ-CYBMUJFWSA-N -1 3 418.378 3.591 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1Oc1ccccc1C ZINC000443502641 985674607 /nfs/dbraw/zinc/67/46/07/985674607.db2.gz WTCREXSWLHYATL-SJLPKXTDSA-N -1 3 421.490 3.589 20 0 HHADHM COCCC1(C[N-]S(=O)(=O)c2c3ccccc3sc2C(=O)OC)CCCC1 ZINC000443509360 985680660 /nfs/dbraw/zinc/68/06/60/985680660.db2.gz MXXRJNXAZZSLOJ-UHFFFAOYSA-N -1 3 411.545 3.563 20 0 HHADHM CC(C)(CO)[C@@H](C[N-]S(=O)(=O)c1csc(-c2ccccc2)n1)c1ccccc1 ZINC000443511507 985683093 /nfs/dbraw/zinc/68/30/93/985683093.db2.gz UBHHERNMADBPDL-SFHVURJKSA-N -1 3 416.568 3.891 20 0 HHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CCN3c4ccccc4CC[C@H]3C)cc2)n1 ZINC000468047244 985706644 /nfs/dbraw/zinc/70/66/44/985706644.db2.gz AQLMZNSSCJUUTP-QGZVFWFLSA-N -1 3 402.498 3.915 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C[C@@H](C)Cc2cccc(F)c2)cc1OC ZINC000468073169 985730953 /nfs/dbraw/zinc/73/09/53/985730953.db2.gz AHTCDGIHHFKBJT-AWEZNQCLSA-N -1 3 408.495 3.803 20 0 HHADHM COc1cc(OC)cc(-c2cccc(NC(=O)c3c[n-]c4ccccc4c3=O)n2)c1 ZINC000462850785 985776711 /nfs/dbraw/zinc/77/67/11/985776711.db2.gz GVBWYEZBRUGOTM-UHFFFAOYSA-N -1 3 401.422 3.860 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1cccc(OCC(F)F)n1 ZINC000462884638 985809704 /nfs/dbraw/zinc/80/97/04/985809704.db2.gz RAIRFAPYWXJLLA-UHFFFAOYSA-N -1 3 402.195 3.515 20 0 HHADHM O=C([N-]c1cc(N2CCNC2=O)ccc1F)c1cc(-c2cccc(Cl)c2)no1 ZINC000468212866 985905529 /nfs/dbraw/zinc/90/55/29/985905529.db2.gz ZBHKPDUIQREPEY-UHFFFAOYSA-N -1 3 400.797 3.916 20 0 HHADHM CC[C@H](CS(=O)(=O)c1ccccc1)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000443726126 985936815 /nfs/dbraw/zinc/93/68/15/985936815.db2.gz RZDIPAYLRPRMIA-GFCCVEGCSA-N -1 3 422.355 3.524 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000468342862 986039666 /nfs/dbraw/zinc/03/96/66/986039666.db2.gz WCZOLKSONICHEW-QGZVFWFLSA-N -1 3 400.498 3.578 20 0 HHADHM CC(C)c1ccccc1S(=O)(=O)[N-]c1cc(-n2nnnc2C2CC2)ccc1F ZINC000468349731 986046731 /nfs/dbraw/zinc/04/67/31/986046731.db2.gz CCFBMIYVBQZYPX-UHFFFAOYSA-N -1 3 401.467 3.603 20 0 HHADHM COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)CCCc1ccc([O-])c(F)c1)CC3 ZINC000468413639 986112691 /nfs/dbraw/zinc/11/26/91/986112691.db2.gz YDHNWTKXNINWCZ-UHFFFAOYSA-N -1 3 410.445 3.707 20 0 HHADHM Cc1cc(Cl)c(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1Cl ZINC000443938184 986146409 /nfs/dbraw/zinc/14/64/09/986146409.db2.gz AMPCYVSHPHLCGX-UHFFFAOYSA-N -1 3 408.285 3.997 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]Cc2ccc3c(n2)CCCC3)sc1Br ZINC000443940206 986148894 /nfs/dbraw/zinc/14/88/94/986148894.db2.gz ZRQXSGTYJDIMQF-UHFFFAOYSA-N -1 3 401.351 3.571 20 0 HHADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(CN3CCSCC3)c2)c(C)c1 ZINC000444034047 986230014 /nfs/dbraw/zinc/23/00/14/986230014.db2.gz URNLWXKRGOISBT-UHFFFAOYSA-N -1 3 406.573 3.743 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)NC[C@]3(O)CCC[C@@H](C(F)(F)F)C3)cc2)cc(=O)[n-]1 ZINC000444049380 986247499 /nfs/dbraw/zinc/24/74/99/986247499.db2.gz SHDJVXAHEHJTJT-KUHUBIRLSA-N -1 3 424.423 3.763 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1ccc2nc(N3CCOCC3)sc2c1 ZINC000468574756 986280000 /nfs/dbraw/zinc/28/00/00/986280000.db2.gz FHWMAXXFXHYPTO-UHFFFAOYSA-N -1 3 415.490 3.939 20 0 HHADHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccccc1SC)c1ccc(Cl)c(F)c1 ZINC000444078455 986280311 /nfs/dbraw/zinc/28/03/11/986280311.db2.gz WEJLZGSZFHWRSI-CQSZACIVSA-N -1 3 417.911 3.784 20 0 HHADHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(-n2cccc2)cc1)c1nc(-c2ccncc2)no1 ZINC000463345494 986312978 /nfs/dbraw/zinc/31/29/78/986312978.db2.gz QEZSDRGXGISDOA-IBGZPJMESA-N -1 3 423.498 3.598 20 0 HHADHM COC(=O)c1sc2[n-]c(CN3C[C@H](C)C[C@H]3c3cccc(F)c3)nc(=O)c2c1C ZINC000444174392 986352796 /nfs/dbraw/zinc/35/27/96/986352796.db2.gz GJDUNDXDDLENIA-ABAIWWIYSA-N -1 3 415.490 3.802 20 0 HHADHM Cc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000444196581 986375278 /nfs/dbraw/zinc/37/52/78/986375278.db2.gz QHOQBJPLXOEXNY-UHFFFAOYSA-N -1 3 419.291 3.898 20 0 HHADHM O=S(=O)([N-]C[C@]1(O)CCC[C@H](C(F)(F)F)C1)c1csc(-c2ccccc2)n1 ZINC000444229838 986416373 /nfs/dbraw/zinc/41/63/73/986416373.db2.gz XZYPXCUBQZVYTE-BBRMVZONSA-N -1 3 420.478 3.572 20 0 HHADHM Cc1ccc([O-])c(C(=O)Nc2cc(Br)cc(C(=O)N3CCCC3)c2)c1 ZINC000468744407 986457886 /nfs/dbraw/zinc/45/78/86/986457886.db2.gz MNCHBFZDGVZNEJ-UHFFFAOYSA-N -1 3 403.276 3.951 20 0 HHADHM CN(C(=O)CCCc1ccc([O-])c(F)c1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000468751365 986465808 /nfs/dbraw/zinc/46/58/08/986465808.db2.gz ABOBUOBKIDSUDE-GOSISDBHSA-N -1 3 404.869 3.771 20 0 HHADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CCC[C@H]1[C@H]1CCCCC1=O ZINC000444306315 986489954 /nfs/dbraw/zinc/48/99/54/986489954.db2.gz WEISQDPNHAFRFI-DYVFJYSZSA-N -1 3 417.303 3.655 20 0 HHADHM CN(C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)[C@@H](CCO)c1ccccc1 ZINC000444334877 986512087 /nfs/dbraw/zinc/51/20/87/986512087.db2.gz DOZGGPXPYKZQQW-INIZCTEOSA-N -1 3 420.387 3.622 20 0 HHADHM Cc1ccc(Br)cc1NC(=O)CNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000468827410 986537023 /nfs/dbraw/zinc/53/70/23/986537023.db2.gz FCXNSOHPUXQWCX-UHFFFAOYSA-N -1 3 423.282 3.680 20 0 HHADHM CCOC(C)(C)CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C ZINC000444377697 986553774 /nfs/dbraw/zinc/55/37/74/986553774.db2.gz XPOPYQJIHZMBGG-UHFFFAOYSA-N -1 3 404.532 3.649 20 0 HHADHM O=C([N-]c1ncn(Cc2ccc(Br)cc2)n1)c1ccoc1C(F)(F)F ZINC000463612202 986588675 /nfs/dbraw/zinc/58/86/75/986588675.db2.gz MXDINIUURKYMRN-UHFFFAOYSA-N -1 3 415.169 3.953 20 0 HHADHM COc1cccc([C@@H](C)N2CCN(C(=O)CCCc3ccc([O-])c(F)c3)CC2)c1 ZINC000468900589 986606914 /nfs/dbraw/zinc/60/69/14/986606914.db2.gz IXUYBEQDYJFBBE-QGZVFWFLSA-N -1 3 400.494 3.768 20 0 HHADHM CCOC(=O)C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)c1ccc(F)cc1 ZINC000463675073 986658468 /nfs/dbraw/zinc/65/84/68/986658468.db2.gz CNTQBNGMIXBBDX-OAHLLOKOSA-N -1 3 403.834 3.591 20 0 HHADHM CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000468982370 986689002 /nfs/dbraw/zinc/68/90/02/986689002.db2.gz NTZCRHXNPSAOHZ-LJQANCHMSA-N -1 3 401.478 3.923 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)NC[C@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000469000644 986705479 /nfs/dbraw/zinc/70/54/79/986705479.db2.gz NXCVMLDLJATHAS-MRXNPFEDSA-N -1 3 413.411 3.840 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)N3CCN([C@H](C)c4nccs4)CC3)cc2)cc(=O)[n-]1 ZINC000463726520 986712387 /nfs/dbraw/zinc/71/23/87/986712387.db2.gz HKLYJMIUKYWOPN-CQSZACIVSA-N -1 3 424.530 3.525 20 0 HHADHM COCCOc1ccccc1S(=O)(=O)[N-]c1cccc(C)c1Br ZINC000469018990 986726649 /nfs/dbraw/zinc/72/66/49/986726649.db2.gz RMKNBIHCGXDEKZ-UHFFFAOYSA-N -1 3 400.294 3.584 20 0 HHADHM CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)c1cccc(OC)c1[O-] ZINC000444538126 986728246 /nfs/dbraw/zinc/72/82/46/986728246.db2.gz BXDBCGZMQKEFEN-UHFFFAOYSA-N -1 3 400.475 3.667 20 0 HHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CCC(OC(C)(C)C)CC3)nc(=O)c2c1C ZINC000469055165 986766681 /nfs/dbraw/zinc/76/66/81/986766681.db2.gz QKGNUJHZTVXKJY-CYBMUJFWSA-N -1 3 421.563 3.810 20 0 HHADHM COc1cc([N-]S(=O)(=O)c2ccc(-n3cc(C)cn3)c(F)c2)ccc1OC(C)C ZINC000463786610 986776896 /nfs/dbraw/zinc/77/68/96/986776896.db2.gz HUFNMIJVNUDGQS-UHFFFAOYSA-N -1 3 419.478 3.916 20 0 HHADHM Cc1cn(-c2c(F)cccc2F)nc1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000469151387 986874425 /nfs/dbraw/zinc/87/44/25/986874425.db2.gz YZPKKIXOEAWCMH-UHFFFAOYSA-N -1 3 422.229 3.857 20 0 HHADHM CCC[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)C(=O)N1CCc2sccc2C1 ZINC000469168157 986892432 /nfs/dbraw/zinc/89/24/32/986892432.db2.gz YJDJEJAKJKKOJE-GOSISDBHSA-N -1 3 418.534 3.785 20 0 HHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N[C@@H](C)c3cccc(O)c3)nc(=O)c2c1C ZINC000444750741 986913776 /nfs/dbraw/zinc/91/37/76/986913776.db2.gz IYQXLVFWNFHYTB-NWDGAFQWSA-N -1 3 401.488 3.587 20 0 HHADHM CCOC(=O)c1nc(C2CCN(C(=O)c3ccccc3Nc3ccccc3)CC2)n[n-]1 ZINC000444754251 986915897 /nfs/dbraw/zinc/91/58/97/986915897.db2.gz BGJDWEVVOUWUCE-UHFFFAOYSA-N -1 3 419.485 3.745 20 0 HHADHM CCOC(=O)c1nnc(C2CCN(C(=O)c3ccccc3Nc3ccccc3)CC2)[n-]1 ZINC000444754251 986915906 /nfs/dbraw/zinc/91/59/06/986915906.db2.gz BGJDWEVVOUWUCE-UHFFFAOYSA-N -1 3 419.485 3.745 20 0 HHADHM CCOC(=O)c1nc(C2CCN(C(=O)[C@@H]3C[C@@H]3c3ccc4ccccc4c3)CC2)n[n-]1 ZINC000444756639 986918184 /nfs/dbraw/zinc/91/81/84/986918184.db2.gz RTCUUXOGYPUUBE-WOJBJXKFSA-N -1 3 418.497 3.644 20 0 HHADHM CCOC(=O)c1nnc(C2CCN(C(=O)[C@@H]3C[C@@H]3c3ccc4ccccc4c3)CC2)[n-]1 ZINC000444756639 986918194 /nfs/dbraw/zinc/91/81/94/986918194.db2.gz RTCUUXOGYPUUBE-WOJBJXKFSA-N -1 3 418.497 3.644 20 0 HHADHM Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000469205894 986929717 /nfs/dbraw/zinc/92/97/17/986929717.db2.gz PPGQNHLMKCHZDI-UHFFFAOYSA-N -1 3 416.518 3.990 20 0 HHADHM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC)c1nccs1 ZINC000469302534 987017522 /nfs/dbraw/zinc/01/75/22/987017522.db2.gz UBDJRDQMSGAAGN-YPMHNXCESA-N -1 3 404.941 3.640 20 0 HHADHM Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000469314642 987025786 /nfs/dbraw/zinc/02/57/86/987025786.db2.gz KMSLFWRNAFWBIA-ZDUSSCGKSA-N -1 3 405.479 3.835 20 0 HHADHM COCCNC(=O)c1ccc(NC(=O)CCCc2ccc([O-])c(F)c2)cc1Cl ZINC000469313986 987025877 /nfs/dbraw/zinc/02/58/77/987025877.db2.gz IWKZYDVPOFWVIL-UHFFFAOYSA-N -1 3 408.857 3.522 20 0 HHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)c2ccccc2)cc1F ZINC000444880230 987032638 /nfs/dbraw/zinc/03/26/38/987032638.db2.gz RPGJLMBLOGBAHM-HNNXBMFYSA-N -1 3 405.369 3.584 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCN(C(=O)c2cc3occc3s2)CC1 ZINC000469384467 987082964 /nfs/dbraw/zinc/08/29/64/987082964.db2.gz UCNVMXKMHVMERC-UHFFFAOYSA-N -1 3 416.474 3.646 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)NCc1ccc(C(=O)Nc2cccnc2)cc1 ZINC000469402739 987097950 /nfs/dbraw/zinc/09/79/50/987097950.db2.gz WUIOWRYUTQUUOY-UHFFFAOYSA-N -1 3 407.445 3.818 20 0 HHADHM C[C@H]1CN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)CC(C)(C)O1 ZINC000469629505 987289740 /nfs/dbraw/zinc/28/97/40/987289740.db2.gz BYKLSIQRWDFHMP-VIFPVBQESA-N -1 3 413.699 3.584 20 0 HHADHM Cc1cc(=O)[n-]c([C@@H](C)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n1 ZINC000469735223 987385661 /nfs/dbraw/zinc/38/56/61/987385661.db2.gz FNXQXYFNQCEHNJ-SNVBAGLBSA-N -1 3 402.804 3.794 20 0 HHADHM CC(C)[N-]S(=O)(=O)c1cc(-c2nc(-c3ccc(C(C)C)nc3)no2)ccc1F ZINC000445501289 987562613 /nfs/dbraw/zinc/56/26/13/987562613.db2.gz FRWQDFFQNKEZMG-UHFFFAOYSA-N -1 3 404.467 3.748 20 0 HHADHM Cc1ccc(C[S@@](=O)Cc2nc(C(F)(F)F)cc(=O)[n-]2)cc1Br ZINC000445545012 987602217 /nfs/dbraw/zinc/60/22/17/987602217.db2.gz VZGBAYGNOZFRKF-HSZRJFAPSA-N -1 3 409.227 3.721 20 0 HHADHM Cc1cc(CN2C(=O)c3ccccc3C2=O)cc(-c2nc(-c3cncs3)no2)c1[O-] ZINC000445578833 987644348 /nfs/dbraw/zinc/64/43/48/987644348.db2.gz FXPGSEQXRXKBGO-UHFFFAOYSA-N -1 3 418.434 3.670 20 0 HHADHM CC(C)[N-]S(=O)(=O)c1cc(-c2nc(-c3coc4ccccc34)no2)ccc1F ZINC000445581948 987647986 /nfs/dbraw/zinc/64/79/86/987647986.db2.gz FESKDJAOPGWTBB-UHFFFAOYSA-N -1 3 401.419 3.976 20 0 HHADHM CSc1cccnc1-c1noc(CS(=O)(=O)[N-]c2ccc(OC(C)C)cc2)n1 ZINC000445620840 987692682 /nfs/dbraw/zinc/69/26/82/987692682.db2.gz LIEJAYANANZINT-UHFFFAOYSA-N -1 3 420.516 3.583 20 0 HHADHM COc1ccc(NC(=O)[C@]2(C)CCCO2)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000445655886 987726967 /nfs/dbraw/zinc/72/69/67/987726967.db2.gz JIFSYXJGSJYKKO-IBGZPJMESA-N -1 3 424.906 3.657 20 0 HHADHM Cc1ccc(C(=O)NCCc2nc(Cn3c4ccccc4nc3C(C)C)no2)c([O-])c1 ZINC000445662107 987731764 /nfs/dbraw/zinc/73/17/64/987731764.db2.gz QBNXWZYLPAVQSI-UHFFFAOYSA-N -1 3 419.485 3.578 20 0 HHADHM CCO[C@H](c1noc([C@@H](C)[N-]S(=O)(=O)c2ccc(C)cc2)n1)c1ccccc1 ZINC000445785582 987847395 /nfs/dbraw/zinc/84/73/95/987847395.db2.gz XICMLFXYDJTCIO-QAPCUYQASA-N -1 3 401.488 3.543 20 0 HHADHM CCc1noc(C)c1-c1noc(-c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)n1 ZINC000445814410 987875470 /nfs/dbraw/zinc/87/54/70/987875470.db2.gz WWOXMDMYMWQDPH-UHFFFAOYSA-N -1 3 417.422 3.530 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C3=Cc4cc(OC)ccc4OC3)c2)n1 ZINC000445826111 987894815 /nfs/dbraw/zinc/89/48/15/987894815.db2.gz VGBNVTRWCWGTQS-UHFFFAOYSA-N -1 3 403.438 3.835 20 0 HHADHM O=C(Nc1cc(Br)cc(C(F)(F)F)c1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000464156284 988278450 /nfs/dbraw/zinc/27/84/50/988278450.db2.gz XKJGCLLFPIOZAN-UHFFFAOYSA-N -1 3 413.149 3.604 20 0 HHADHM C[C@@H](CC(F)(F)F)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000464268102 988384231 /nfs/dbraw/zinc/38/42/31/988384231.db2.gz RSUPHSHOJQNVLN-NSHDSACASA-N -1 3 404.385 3.697 20 0 HHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2)cc1Br ZINC000470441374 988415101 /nfs/dbraw/zinc/41/51/01/988415101.db2.gz VMEIZBUZTDJTCE-UHFFFAOYSA-N -1 3 413.293 3.607 20 0 HHADHM Cc1nn(C)c2sc(C(=O)[N-]c3nnc(Cc4cccc(Cl)c4)s3)cc12 ZINC000464330551 988466966 /nfs/dbraw/zinc/46/69/66/988466966.db2.gz BTIXKRYLQDEVLK-UHFFFAOYSA-N -1 3 403.920 4.291 20 0 HHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]Cc1ccccc1N1CCOCC1 ZINC000470607714 988626820 /nfs/dbraw/zinc/62/68/20/988626820.db2.gz RWNXXZCBFRHKOR-UHFFFAOYSA-N -1 3 420.918 3.710 20 0 HHADHM Cc1c(-c2cc(CSc3nc4c(cnn4-c4ccccc4)c(=O)[n-]3)on2)cnn1C ZINC000464558166 988736140 /nfs/dbraw/zinc/73/61/40/988736140.db2.gz YDMQJHYKEXPBNL-UHFFFAOYSA-N -1 3 419.470 3.510 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NC[C@H](Cc1ccccc1)C(C)C ZINC000470737140 988772544 /nfs/dbraw/zinc/77/25/44/988772544.db2.gz NKBABSQOXORNKQ-NRFANRHFSA-N -1 3 418.541 3.704 20 0 HHADHM COc1cc(Br)ccc1[C@@H](C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000470825192 988896832 /nfs/dbraw/zinc/89/68/32/988896832.db2.gz RMRTVARMFPPAHM-LLVKDONJSA-N -1 3 401.260 3.790 20 0 HHADHM CCSc1cccc(Br)c1[N-]C(=O)c1cn(C2CCOCC2)nn1 ZINC000464712353 988925695 /nfs/dbraw/zinc/92/56/95/988925695.db2.gz PREKDDGKLGMCCT-UHFFFAOYSA-N -1 3 411.325 3.756 20 0 HHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CCS[C@H](C(C)C)C3)nc(=O)c2c1C ZINC000464767880 988991283 /nfs/dbraw/zinc/99/12/83/988991283.db2.gz DPJWQUZHWKSLPT-OLZOCXBDSA-N -1 3 409.577 3.604 20 0 HHADHM COC(=O)c1sc2[n-]c(CN3CC[C@@H](c4ccc(C)cc4C)C3)nc(=O)c2c1C ZINC000471012523 989081501 /nfs/dbraw/zinc/08/15/01/989081501.db2.gz QPTSNIPZPVLDQH-OAHLLOKOSA-N -1 3 411.527 3.686 20 0 HHADHM COC(=O)c1ccc(CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cc1F ZINC000464896690 989166314 /nfs/dbraw/zinc/16/63/14/989166314.db2.gz DPYCPRTWVPNELX-UHFFFAOYSA-N -1 3 410.430 3.739 20 0 HHADHM COc1ccccc1N1CC[C@@H](NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)C1 ZINC000464908367 989182868 /nfs/dbraw/zinc/18/28/68/989182868.db2.gz AUEIPWQLYKBGQH-GOSISDBHSA-N -1 3 419.485 3.567 20 0 HHADHM CCSc1nnc([N-]C(=O)c2c(F)cccc2I)s1 ZINC000471092230 989187817 /nfs/dbraw/zinc/18/78/17/989187817.db2.gz ZSVNHQHITLFVNL-UHFFFAOYSA-N -1 3 409.249 3.646 20 0 HHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1cc(Cl)ccc1NC1CC1 ZINC000471138097 989248602 /nfs/dbraw/zinc/24/86/02/989248602.db2.gz VCZQZXNMLUECBH-UHFFFAOYSA-N -1 3 409.877 3.962 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3C[C@H]4CCC[C@@H]4C3)c2)cc1 ZINC000465088897 989411032 /nfs/dbraw/zinc/41/10/32/989411032.db2.gz FNDYAFJRTCAMGE-IAGOWNOFSA-N -1 3 414.527 3.677 20 0 HHADHM CO[C@H](CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C)C(C)(C)C ZINC000465204054 989550295 /nfs/dbraw/zinc/55/02/95/989550295.db2.gz MWDHMCXVBSNFSJ-LJQANCHMSA-N -1 3 422.522 3.726 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)NCC3(CC(C)C)CCC3)c2)n1 ZINC000465295930 989652317 /nfs/dbraw/zinc/65/23/17/989652317.db2.gz DEBZTVJGDOVVAV-UHFFFAOYSA-N -1 3 410.518 3.683 20 0 HHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCc1cc(Cl)ccc1OC(F)F ZINC000465298571 989657708 /nfs/dbraw/zinc/65/77/08/989657708.db2.gz WDFROCCMGKUGIQ-UHFFFAOYSA-N -1 3 422.819 3.736 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NC2(Cc3ccccc3)CCC2)cc1OC ZINC000471570940 989772225 /nfs/dbraw/zinc/77/22/25/989772225.db2.gz QMDONDIMUUCDLM-UHFFFAOYSA-N -1 3 417.531 3.744 20 0 HHADHM CCOC(=O)c1sc([C@@H](C)[N-]S(=O)(=O)c2ccccc2C(F)(F)F)nc1C ZINC000465493479 989842709 /nfs/dbraw/zinc/84/27/09/989842709.db2.gz HIQUVQWIJWONAH-SNVBAGLBSA-N -1 3 422.450 3.687 20 0 HHADHM CCc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3cccc4cccnc43)n2)cc1 ZINC000471868654 990040468 /nfs/dbraw/zinc/04/04/68/990040468.db2.gz DEWHUFKINDUMPO-AWEZNQCLSA-N -1 3 408.483 3.887 20 0 HHADHM COc1ccc(Cl)cc1CS(=O)(=O)[N-][C@@H](C)c1noc(-c2ccccc2)n1 ZINC000471889621 990063772 /nfs/dbraw/zinc/06/37/72/990063772.db2.gz UWOMJIQWYFPQEV-LBPRGKRZSA-N -1 3 407.879 3.579 20 0 HHADHM Cc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccc4c(c3)C[C@H](C)O4)n2)cc1F ZINC000471895552 990067053 /nfs/dbraw/zinc/06/70/53/990067053.db2.gz MCWUFPKTGWFRNK-STQMWFEESA-N -1 3 417.462 3.547 20 0 HHADHM COC(=O)[C@H](NC(=O)c1cc([O-])c2ccccc2c1)c1ccc(Br)cc1 ZINC000471943800 990108032 /nfs/dbraw/zinc/10/80/32/990108032.db2.gz OLCGPMOBEBUCJR-GOSISDBHSA-N -1 3 414.255 3.952 20 0 HHADHM Cc1nc(C)c(CCC(=O)NCc2nc3c(s2)C[C@@H](c2ccccc2)CC3)c(=O)[n-]1 ZINC000466236756 991465327 /nfs/dbraw/zinc/46/53/27/991465327.db2.gz AGKVWROYSOAHCQ-KRWDZBQOSA-N -1 3 422.554 3.777 20 0 HHADHM O=S(=O)(Cc1ccc(Cl)cc1Br)[N-][C@@H]1COc2ccc(F)cc21 ZINC000466546417 991854770 /nfs/dbraw/zinc/85/47/70/991854770.db2.gz SSZAAIIDDGLECK-CQSZACIVSA-N -1 3 420.687 3.795 20 0 HHADHM COc1ccc2c(c1)[C@@H](NC(=O)Nc1ccc(-c3cc(=O)[n-]c(C)n3)cc1)CCO2 ZINC000466717441 992029172 /nfs/dbraw/zinc/02/91/72/992029172.db2.gz DZBGHJJBHUAHGH-SFHVURJKSA-N -1 3 406.442 3.812 20 0 HHADHM O=S(=O)([N-]c1ccc(OC(F)F)cc1)c1ccc(OC[C@H]2CCOC2)c(F)c1 ZINC000466961243 992271306 /nfs/dbraw/zinc/27/13/06/992271306.db2.gz HWEBHWXJSQYKEB-LBPRGKRZSA-N -1 3 417.405 3.643 20 0 HHADHM O=S(=O)([N-]c1cncc(Cl)c1Cl)c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC000467037380 992346823 /nfs/dbraw/zinc/34/68/23/992346823.db2.gz ZYESIGZOPQYZSD-SNVBAGLBSA-N -1 3 421.277 3.744 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(-n3nnnc3C3CC3)c2)c(C)c1 ZINC000467073893 992379614 /nfs/dbraw/zinc/37/96/14/992379614.db2.gz ILLZJYSGDQUSRH-UHFFFAOYSA-N -1 3 403.895 3.611 20 0 HHADHM CCOCCOCc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)c1C ZINC000467077398 992383219 /nfs/dbraw/zinc/38/32/19/992383219.db2.gz ANIZYWUSLVUTBC-HNNXBMFYSA-N -1 3 405.516 3.672 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H]2C=CCCC2)c(Br)c1 ZINC000467132740 992449546 /nfs/dbraw/zinc/44/95/46/992449546.db2.gz ZLCNFKYSJMJMEO-JTQLQIEISA-N -1 3 409.143 3.907 20 0 HHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CCCC[C@@H](CCOC)C3)nc(=O)c2c1C ZINC000467271453 992592945 /nfs/dbraw/zinc/59/29/45/992592945.db2.gz OBCSNFHDHONRGH-CABCVRRESA-N -1 3 421.563 3.669 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H]3C=CCCC3)ccc2C)cc1 ZINC000467273038 992595338 /nfs/dbraw/zinc/59/53/38/992595338.db2.gz LDNPANFPWYDVBC-QGZVFWFLSA-N -1 3 400.500 3.643 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)Nc1ccccc1NC(C)(C)C ZINC000467653400 992913651 /nfs/dbraw/zinc/91/36/51/992913651.db2.gz NMAOHPPOOHRQHG-UHFFFAOYSA-N -1 3 405.502 3.922 20 0 HHADHM O=S(=O)([N-]CCCc1ccc2c(c1)OCCO2)c1ccc(F)cc1C(F)(F)F ZINC000467765496 993008101 /nfs/dbraw/zinc/00/81/01/993008101.db2.gz UCYIGABGZOKADO-UHFFFAOYSA-N -1 3 419.396 3.527 20 0 HHADHM Cc1ccc(-n2cc(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)c(C(C)(C)C)n2)cc1 ZINC000467819006 993052645 /nfs/dbraw/zinc/05/26/45/993052645.db2.gz KBUFNFQPITXCNV-UHFFFAOYSA-N -1 3 401.474 3.911 20 0 HHADHM Cc1ccc(-n2cc(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)c(C(C)(C)C)n2)cc1 ZINC000467819006 993052647 /nfs/dbraw/zinc/05/26/47/993052647.db2.gz KBUFNFQPITXCNV-UHFFFAOYSA-N -1 3 401.474 3.911 20 0 HHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000472093890 993143753 /nfs/dbraw/zinc/14/37/53/993143753.db2.gz JTOLZJYNWXWXHA-AWEZNQCLSA-N -1 3 406.454 3.824 20 0 HHADHM COc1ccc(C[C@@H](C)[N-]S(=O)(=O)c2oc3ccc(F)cc3c2C)cc1OC ZINC000472112047 993162410 /nfs/dbraw/zinc/16/24/10/993162410.db2.gz DBDVYVFUTMZVTN-GFCCVEGCSA-N -1 3 407.463 3.807 20 0 HHADHM O=S(=O)([N-]CCc1ccccc1OC(F)F)c1cc(F)ccc1Br ZINC000472192090 993230483 /nfs/dbraw/zinc/23/04/83/993230483.db2.gz NHVXRVDRPPPSKD-UHFFFAOYSA-N -1 3 424.238 3.711 20 0 HHADHM CC(C)(O)CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)c(Cl)c1 ZINC000472206710 993240798 /nfs/dbraw/zinc/24/07/98/993240798.db2.gz QDTTXCZYXNUMSR-UHFFFAOYSA-N -1 3 417.314 3.894 20 0 HHADHM CSc1cccc(C)c1[N-]C(=O)c1cc(Cn2cc(Br)cn2)on1 ZINC000472232140 993260997 /nfs/dbraw/zinc/26/09/97/993260997.db2.gz SOPQVVFJHMXFLM-UHFFFAOYSA-N -1 3 407.293 3.965 20 0 HHADHM C[C@H](Oc1cnc2ccccc2c1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000472362422 993360360 /nfs/dbraw/zinc/36/03/60/993360360.db2.gz WKMRRBCLSQMWJD-LBPRGKRZSA-N -1 3 401.260 3.787 20 0 HHADHM COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)c1 ZINC000472456124 993458539 /nfs/dbraw/zinc/45/85/39/993458539.db2.gz RAZGDNHIWJFDAB-MJGOQNOKSA-N -1 3 405.454 3.505 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCCC4(CC4)C3)ccc2C)cc1 ZINC000472758118 993695529 /nfs/dbraw/zinc/69/55/29/993695529.db2.gz WWTOTQKZZCGFHC-UHFFFAOYSA-N -1 3 414.527 3.821 20 0 HHADHM Cc1nc(C)c(CC(=O)NCCc2cccc(OCCCc3ccccc3)c2)c(=O)[n-]1 ZINC000480843903 993718635 /nfs/dbraw/zinc/71/86/35/993718635.db2.gz SDNFHYNFCZISQX-UHFFFAOYSA-N -1 3 419.525 3.712 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)c3ccc(F)c4ccccc34)c2)[n-]1 ZINC000481151687 993985506 /nfs/dbraw/zinc/98/55/06/993985506.db2.gz CJGMKYZHNIVZHQ-UHFFFAOYSA-N -1 3 418.428 3.871 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)c3ccc(F)c4ccccc34)c2)n[n-]1 ZINC000481151687 993985519 /nfs/dbraw/zinc/98/55/19/993985519.db2.gz CJGMKYZHNIVZHQ-UHFFFAOYSA-N -1 3 418.428 3.871 20 0 HHADHM CC(C)Sc1ccccc1NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000473077512 993994694 /nfs/dbraw/zinc/99/46/94/993994694.db2.gz UVBJHXBCOAYLGU-UHFFFAOYSA-N -1 3 404.966 3.819 20 0 HHADHM C[C@H]1CN(Cc2csc([N-]C(=O)c3c(F)c(F)cc(F)c3F)n2)C[C@H](C)O1 ZINC000481308218 994125283 /nfs/dbraw/zinc/12/52/83/994125283.db2.gz FWSGILFIXBIAJK-IUCAKERBSA-N -1 3 403.401 3.561 20 0 HHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCC3(C(F)F)CC3)c2)cc1 ZINC000473289790 994141011 /nfs/dbraw/zinc/14/10/11/994141011.db2.gz ZQRBBPJVDHSDCK-UHFFFAOYSA-N -1 3 408.470 3.879 20 0 HHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCCc3cccc(C)n3)c2)cc1 ZINC000473297402 994151750 /nfs/dbraw/zinc/15/17/50/994151750.db2.gz BTFGCQJECXIQFK-UHFFFAOYSA-N -1 3 423.538 3.780 20 0 HHADHM Cc1ccc(NC(=O)C(=O)c2ccccc2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000473398505 994252679 /nfs/dbraw/zinc/25/26/79/994252679.db2.gz KWOHAXZJYZYCAK-UHFFFAOYSA-N -1 3 412.442 3.756 20 0 HHADHM O=S(=O)(Cc1ccc(Cl)c(F)c1)[N-][C@H](CO)c1c(Cl)cccc1Cl ZINC000481489491 994322821 /nfs/dbraw/zinc/32/28/21/994322821.db2.gz FXBDZDFUSRQNEQ-CQSZACIVSA-N -1 3 412.697 3.939 20 0 HHADHM Cc1nc(C)c(CCC(=O)NCCc2c[nH]c3cc(Cl)cc(Cl)c23)c(=O)[n-]1 ZINC000481642506 994507789 /nfs/dbraw/zinc/50/77/89/994507789.db2.gz PDURJJQPEGOJHR-UHFFFAOYSA-N -1 3 407.301 3.879 20 0 HHADHM O=C(CCCCCc1ccc(I)cc1)NCc1ncccc1[O-] ZINC000473635096 994516287 /nfs/dbraw/zinc/51/62/87/994516287.db2.gz FFAMFYRDDUFBMI-UHFFFAOYSA-N -1 3 424.282 3.811 20 0 HHADHM Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)NCc1ncccc1[O-] ZINC000473635958 994516779 /nfs/dbraw/zinc/51/67/79/994516779.db2.gz MHQQIVBBZPYUGO-UHFFFAOYSA-N -1 3 401.875 3.993 20 0 HHADHM CC(C)c1nc(C(=O)NCc2ncccc2[O-])nn1-c1c(Cl)cccc1Cl ZINC000473645563 994529397 /nfs/dbraw/zinc/52/93/97/994529397.db2.gz VDLUBXLPGKMLGB-UHFFFAOYSA-N -1 3 406.273 3.728 20 0 HHADHM Cc1nc(C)c(C(=O)[N-]c2nnc(SCC(=O)Nc3ccc(C)cc3C)s2)o1 ZINC000481763785 994616678 /nfs/dbraw/zinc/61/66/78/994616678.db2.gz OUIIYNRZBUMMCE-UHFFFAOYSA-N -1 3 417.516 3.743 20 0 HHADHM C[C@H](Sc1ccnc2cc(Cl)ccc21)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000481911986 994784246 /nfs/dbraw/zinc/78/42/46/994784246.db2.gz HRHUTNMOOZRGTQ-QMMMGPOBSA-N -1 3 415.828 3.822 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]CCc2nc3ccccc3n2C(F)F)sc1Cl ZINC000473851445 994788419 /nfs/dbraw/zinc/78/84/19/994788419.db2.gz BJHOSGHHEJRSMO-UHFFFAOYSA-N -1 3 405.879 3.976 20 0 HHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)c1cn(-c2ccccc2)nn1 ZINC000473865754 994804391 /nfs/dbraw/zinc/80/43/91/994804391.db2.gz XYVOMCQODGRLEV-SNVBAGLBSA-N -1 3 415.277 3.753 20 0 HHADHM Cc1ccc(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)cc1NC(=O)c1ccccc1 ZINC000473895719 994851836 /nfs/dbraw/zinc/85/18/36/994851836.db2.gz JJAZCEUOHJYNTE-UHFFFAOYSA-N -1 3 412.453 3.604 20 0 HHADHM Cc1ccc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)cc1NC(=O)c1ccccc1 ZINC000473895719 994851846 /nfs/dbraw/zinc/85/18/46/994851846.db2.gz JJAZCEUOHJYNTE-UHFFFAOYSA-N -1 3 412.453 3.604 20 0 HHADHM O=C(Nc1ccc(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)s1)Nc1ccccc1 ZINC000473939383 994914002 /nfs/dbraw/zinc/91/40/02/994914002.db2.gz IFKHYUBVIRYOKK-UHFFFAOYSA-N -1 3 419.470 3.748 20 0 HHADHM O=C(Nc1ccc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)s1)Nc1ccccc1 ZINC000473939383 994914011 /nfs/dbraw/zinc/91/40/11/994914011.db2.gz IFKHYUBVIRYOKK-UHFFFAOYSA-N -1 3 419.470 3.748 20 0 HHADHM CCCCCOC1CN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)C1 ZINC000473968744 994950572 /nfs/dbraw/zinc/95/05/72/994950572.db2.gz WJYREDRUPBMBCE-UHFFFAOYSA-N -1 3 420.506 3.658 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1OCC(F)(F)F ZINC000482043683 994965492 /nfs/dbraw/zinc/96/54/92/994965492.db2.gz QQRIZNNWJLYKLT-UHFFFAOYSA-N -1 3 401.406 3.926 20 0 HHADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H](C)[C@H](C)c2ccccc2)cc1 ZINC000474197928 995191610 /nfs/dbraw/zinc/19/16/10/995191610.db2.gz MKOGPTITVGQIOI-DLBZAZTESA-N -1 3 424.588 3.699 20 0 HHADHM CCOC(=O)[C@H](Cc1cccc2ccccc21)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000482215692 995200895 /nfs/dbraw/zinc/20/08/95/995200895.db2.gz WEUBDNMJEVXRJQ-QFIPXVFZSA-N -1 3 414.461 3.586 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NC[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000482217140 995201840 /nfs/dbraw/zinc/20/18/40/995201840.db2.gz SXGLFOVQPFOKGO-DOTOQJQBSA-N -1 3 422.451 3.558 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NC[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000482217143 995202391 /nfs/dbraw/zinc/20/23/91/995202391.db2.gz SXGLFOVQPFOKGO-WBVHZDCISA-N -1 3 422.451 3.558 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000482231247 995214410 /nfs/dbraw/zinc/21/44/10/995214410.db2.gz VLVFKGLVLDLXGS-MNOVXSKESA-N -1 3 407.421 3.799 20 0 HHADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H](C)c2ccc(-c3cccnc3)cc2)c1 ZINC000474220721 995215265 /nfs/dbraw/zinc/21/52/65/995215265.db2.gz WTCRHIQDJTUGQH-CYBMUJFWSA-N -1 3 402.497 3.636 20 0 HHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@H](CC(C)(C)C)C(F)(F)F ZINC000482248466 995229027 /nfs/dbraw/zinc/22/90/27/995229027.db2.gz YWSNOVDWRNZSHP-OAHLLOKOSA-N -1 3 410.440 3.969 20 0 HHADHM CO[C@@H]1CCN(C(=O)c2ccc(C)c([N-]S(=O)(=O)c3c(C)cc(C)cc3C)c2)C1 ZINC000482262038 995240565 /nfs/dbraw/zinc/24/05/65/995240565.db2.gz XRALOWYEIFRBQG-LJQANCHMSA-N -1 3 416.543 3.582 20 0 HHADHM C[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F)C1CCOCC1 ZINC000474303635 995292272 /nfs/dbraw/zinc/29/22/72/995292272.db2.gz PQPYUTBKYFMTKS-VIFPVBQESA-N -1 3 416.259 3.561 20 0 HHADHM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cc(CN(C)C)ccn3)c2)c1 ZINC000482334917 995314390 /nfs/dbraw/zinc/31/43/90/995314390.db2.gz SEJAPXSBAGJKRC-UHFFFAOYSA-N -1 3 424.526 3.505 20 0 HHADHM CC(C)[C@@H]1CC[C@H](NC(=O)c2[nH]c(=O)[n-]c(=O)c2N)[C@@H](Cc2ccc(Cl)cc2)C1 ZINC000482344592 995323377 /nfs/dbraw/zinc/32/33/77/995323377.db2.gz SKPPHWHWOKFYPS-YCPHGPKFSA-N -1 3 418.925 3.537 20 0 HHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cc2sc(N3CCCC3)nc2s1 ZINC000474592029 995550809 /nfs/dbraw/zinc/55/08/09/995550809.db2.gz DRFODFDSARCMKO-UHFFFAOYSA-N -1 3 422.557 3.582 20 0 HHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000474625918 995574493 /nfs/dbraw/zinc/57/44/93/995574493.db2.gz AGDVRPZNZWEHPX-HNNXBMFYSA-N -1 3 407.873 3.794 20 0 HHADHM O=S(=O)([N-]c1ccccc1F)c1ccc(-c2nc(Cc3cncs3)no2)cc1 ZINC000482755789 995727464 /nfs/dbraw/zinc/72/74/64/995727464.db2.gz TWCAYIIXECMLCW-UHFFFAOYSA-N -1 3 416.459 3.724 20 0 HHADHM CCCCOc1ccc([C@H](C)NC(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1OC ZINC000482854910 995794705 /nfs/dbraw/zinc/79/47/05/995794705.db2.gz GUCFJLDSGXAEIC-NSHDSACASA-N -1 3 415.416 3.571 20 0 HHADHM COC(=O)C[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccc(C(F)(F)F)cc1 ZINC000482879910 995812962 /nfs/dbraw/zinc/81/29/62/995812962.db2.gz IXQXLVKYCJKWLV-MRXNPFEDSA-N -1 3 418.371 3.581 20 0 HHADHM CC(C)(CNC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1c(Cl)cccc1Cl ZINC000482984798 995901493 /nfs/dbraw/zinc/90/14/93/995901493.db2.gz ARMUMCMGFHJTQI-UHFFFAOYSA-N -1 3 410.227 3.907 20 0 HHADHM CCC[C@@H](O)CNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000475159363 995959904 /nfs/dbraw/zinc/95/99/04/995959904.db2.gz XJADXRYTRMJBRF-LJQANCHMSA-N -1 3 418.559 3.612 20 0 HHADHM COc1ccc(-c2csc(CNC(=O)NCc3nc(C(F)(F)F)n[n-]3)c2)cc1 ZINC000483139616 995998885 /nfs/dbraw/zinc/99/88/85/995998885.db2.gz CDPJAEVIMSMWCV-UHFFFAOYSA-N -1 3 411.409 3.560 20 0 HHADHM COc1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1[O-] ZINC000483190554 996028738 /nfs/dbraw/zinc/02/87/38/996028738.db2.gz DYDQRMOMGJGSGD-LBPRGKRZSA-N -1 3 411.285 3.725 20 0 HHADHM Cc1nc(-c2ccc(C)c(NC(=O)NCc3ccc([O-])c(Br)c3)c2)n[nH]1 ZINC000483288611 996082361 /nfs/dbraw/zinc/08/23/61/996082361.db2.gz ZNFCVVUCUQUHTD-UHFFFAOYSA-N -1 3 416.279 3.878 20 0 HHADHM Cc1ccc(CCC(=O)Nc2ccccc2[N-]S(C)(=O)=O)c(Br)c1 ZINC000475484373 996169755 /nfs/dbraw/zinc/16/97/55/996169755.db2.gz DCUNACVNHKHMAK-UHFFFAOYSA-N -1 3 411.321 3.700 20 0 HHADHM O=S(=O)([N-]C1CCN(c2ccccc2)CC1)c1ccc(Br)cc1F ZINC000475575497 996227041 /nfs/dbraw/zinc/22/70/41/996227041.db2.gz ZZWSIARZAMFDMW-UHFFFAOYSA-N -1 3 413.312 3.536 20 0 HHADHM CCc1cccc2c(C3CCN(C(=O)NCc4nc(C(F)(F)F)n[n-]4)CC3)c[nH]c21 ZINC000483552049 996246451 /nfs/dbraw/zinc/24/64/51/996246451.db2.gz MSONOQLOYVTIMD-UHFFFAOYSA-N -1 3 420.439 3.956 20 0 HHADHM Cc1cc(F)c(S(=O)(=O)[N-]Cc2cccc(NC(=O)C3CCCC3)c2)cc1F ZINC000475745970 996344240 /nfs/dbraw/zinc/34/42/40/996344240.db2.gz HIFNQNNDUAORHE-UHFFFAOYSA-N -1 3 408.470 3.880 20 0 HHADHM O=C1[N-]C(=O)c2cc(S(=O)(=O)Nc3cc(-c4ccccc4)ccc3Cl)ccc21 ZINC000475840462 996408192 /nfs/dbraw/zinc/40/81/92/996408192.db2.gz UXALRGXXMNXWIJ-UHFFFAOYSA-N -1 3 412.854 3.691 20 0 HHADHM Cc1nc(CC(C)C)oc1C(=O)[N-]c1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000475984872 996515945 /nfs/dbraw/zinc/51/59/45/996515945.db2.gz LJRFJUYQMOXWEE-UHFFFAOYSA-N -1 3 404.268 3.981 20 0 HHADHM Cc1nc(CC2CC2)oc1C(=O)[N-]c1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000475987587 996518134 /nfs/dbraw/zinc/51/81/34/996518134.db2.gz SAJXNWFEVIRAGL-UHFFFAOYSA-N -1 3 402.252 3.735 20 0 HHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1cccc(Oc2ccncc2)c1 ZINC000484083830 996560714 /nfs/dbraw/zinc/56/07/14/996560714.db2.gz VZQYBUWQRBZPIU-UHFFFAOYSA-N -1 3 401.426 3.991 20 0 HHADHM O=C(Cc1csc(NC(=O)c2ccco2)n1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000476129767 996620138 /nfs/dbraw/zinc/62/01/38/996620138.db2.gz BUUFRRVIMXXHON-UHFFFAOYSA-N -1 3 411.361 3.894 20 0 HHADHM O=S(=O)([N-]c1ccc2nc(-c3ccccn3)[nH]c2c1)c1cccc2ncccc21 ZINC000484187769 996624834 /nfs/dbraw/zinc/62/48/34/996624834.db2.gz HNJRXHJJODGSNP-UHFFFAOYSA-N -1 3 401.451 3.974 20 0 HHADHM CCOc1ccccc1C(=O)NCCCC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000476147775 996634735 /nfs/dbraw/zinc/63/47/35/996634735.db2.gz JKLDKUOEMQIVFF-UHFFFAOYSA-N -1 3 410.392 3.958 20 0 HHADHM CCCOC[C@H](Cc1cccc(Br)c1)[N-]S(=O)(=O)c1ccc(C)o1 ZINC000476205358 996676038 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CC[C@@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)c(OC)cc2Cl)n[nH]1 ZINC000486647716 998874539 /nfs/dbraw/zinc/87/45/39/998874539.db2.gz CDCDMJGCPBOFIH-RKDXNWHRSA-N -1 3 407.323 3.673 20 0 HHADHM CCCN(C(=O)NCc1ccc([O-])c(Br)c1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000486647692 998874594 /nfs/dbraw/zinc/87/45/94/998874594.db2.gz BXGXVWNZAOWXKA-IAOVAPTHSA-N -1 3 411.340 3.890 20 0 HHADHM CC(C)C1CCC(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)CC1 ZINC000478304672 998875999 /nfs/dbraw/zinc/87/59/99/998875999.db2.gz MNNKUFFRFMUJEV-UHFFFAOYSA-N -1 3 407.511 3.899 20 0 HHADHM COc1cc(Br)c(S(=O)(=O)[N-][C@H]2CCCC(F)(F)C2)cc1Cl ZINC000486691459 998894066 /nfs/dbraw/zinc/89/40/66/998894066.db2.gz XTBXLUNSQOIDDL-QMMMGPOBSA-N -1 3 418.687 3.967 20 0 HHADHM O=S(=O)([N-]Cc1nc(-c2cccc(F)c2)no1)c1cc(C(F)(F)F)ccc1F ZINC000486819002 998954296 /nfs/dbraw/zinc/95/42/96/998954296.db2.gz CIWSVUCCYMVUCD-UHFFFAOYSA-N -1 3 419.331 3.512 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2[C@@H]3CCC[C@@H]32)c(Br)c1 ZINC000486823902 998956934 /nfs/dbraw/zinc/95/69/34/998956934.db2.gz LRTVSZIKGXEFCP-BZBKMWRSSA-N -1 3 409.143 3.597 20 0 HHADHM Cc1nc(C)c(CCC(=O)NC2(c3cccc(C(F)(F)F)c3)CCOCC2)c(=O)[n-]1 ZINC000486896333 998996391 /nfs/dbraw/zinc/99/63/91/998996391.db2.gz HOBRDOJENFYCAE-UHFFFAOYSA-N -1 3 423.435 3.573 20 0 HHADHM Cc1nc(C)c(CCC(=O)Nc2ccc(Oc3cccc(F)c3F)nc2)c(=O)[n-]1 ZINC000487100408 999062813 /nfs/dbraw/zinc/06/28/13/999062813.db2.gz XONURIDUOBCAKI-UHFFFAOYSA-N -1 3 400.385 3.836 20 0 HHADHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)C1(CC)CC ZINC000487143768 999079648 /nfs/dbraw/zinc/07/96/48/999079648.db2.gz XKNQKJYWEPCYOP-DLBZAZTESA-N -1 3 420.934 3.700 20 0 HHADHM COC(=O)c1cc(F)cc([N-]S(=O)(=O)c2ccc(OC)c3ccccc32)c1F ZINC000478701485 999096212 /nfs/dbraw/zinc/09/62/12/999096212.db2.gz IIARMXRYIDKTEY-UHFFFAOYSA-N -1 3 407.394 3.714 20 0 HHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N1CCC(c2c(F)cccc2F)CC1 ZINC000487332774 999137581 /nfs/dbraw/zinc/13/75/81/999137581.db2.gz 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Cc1ccc(-c2nc(NC(=O)c3nn(-c4ccc(C)cc4F)c4c3CCC4)n[n-]2)o1 ZINC000479443792 999420581 /nfs/dbraw/zinc/42/05/81/999420581.db2.gz HGJSWBRGWPNMFF-UHFFFAOYSA-N -1 3 406.421 3.747 20 0 HHADHM CCCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cc(OC)ccc2OC)c1 ZINC000479459225 999426860 /nfs/dbraw/zinc/42/68/60/999426860.db2.gz RITPSYSELLNGGX-UHFFFAOYSA-N -1 3 412.895 3.897 20 0 HHADHM Cc1ccc(-c2nc(NC(=O)c3cc(C)ccc3I)n[n-]2)o1 ZINC000479468708 999430578 /nfs/dbraw/zinc/43/05/78/999430578.db2.gz COXHSOKWARAJIK-UHFFFAOYSA-N -1 3 408.199 3.538 20 0 HHADHM O=S(=O)([N-]c1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1ccc2ncsc2c1 ZINC000479485942 999439441 /nfs/dbraw/zinc/43/94/41/999439441.db2.gz BTLSMGDKGOHTRP-MRXNPFEDSA-N -1 3 400.485 3.825 20 0 HHADHM Cc1cc(Br)cc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)CN(C)C(=O)N2 ZINC000479544901 999470294 /nfs/dbraw/zinc/47/02/94/999470294.db2.gz NNOGASZQARVXMI-UHFFFAOYSA-N -1 3 424.320 3.844 20 0 HHADHM O=C(c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2F)cc1F)N1CCCC1 ZINC000479563413 999479472 /nfs/dbraw/zinc/47/94/72/999479472.db2.gz BRSKTOBUSMGMNC-UHFFFAOYSA-N -1 3 400.834 3.655 20 0 HHADHM COc1ccc(Cl)cc1NCCC(=O)NCc1ccc([O-])c(Br)c1 ZINC000488668950 999565421 /nfs/dbraw/zinc/56/54/21/999565421.db2.gz BDBDOPNCFNYVDP-UHFFFAOYSA-N -1 3 413.699 3.935 20 0 HHADHM O=C(NC1CCC(C(=O)NCc2ccc([O-])c(Br)c2)CC1)C1CCCC1 ZINC000488668910 999565611 /nfs/dbraw/zinc/56/56/11/999565611.db2.gz UBXDNSXFMXMBGT-UHFFFAOYSA-N -1 3 423.351 3.636 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccc(F)c(Br)c1 ZINC000488672611 999566799 /nfs/dbraw/zinc/56/67/99/999566799.db2.gz FOILZWWMCKWCRD-UHFFFAOYSA-N -1 3 403.045 3.986 20 0 HHADHM C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000488681541 999569969 /nfs/dbraw/zinc/56/99/69/999569969.db2.gz UWFINIVTUVHYCQ-ABAIWWIYSA-N -1 3 403.276 3.679 20 0 HHADHM CCOc1ccc(C(=O)CCC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000488683878 999571259 /nfs/dbraw/zinc/57/12/59/999571259.db2.gz AOPNBBDOKOJAID-UHFFFAOYSA-N -1 3 406.276 3.833 20 0 HHADHM 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999774163 /nfs/dbraw/zinc/77/41/63/999774163.db2.gz OZFBAEKCTGJFQK-UHFFFAOYSA-N -1 3 414.506 3.716 20 0 HHADHM Cc1csc(C2([N-]S(=O)(=O)c3cccc(OC(F)(F)F)c3F)CCC2)n1 ZINC000489522306 999783480 /nfs/dbraw/zinc/78/34/80/999783480.db2.gz ZELRPLSFQPWOFH-UHFFFAOYSA-N -1 3 410.414 3.847 20 0 HHADHM O=S(=O)([N-]CC1(C(F)F)CC1)c1ccc(Br)cc1Br ZINC000480414836 999793394 /nfs/dbraw/zinc/79/33/94/999793394.db2.gz RWDHXGWFHHEGNB-UHFFFAOYSA-N -1 3 419.085 3.535 20 0 HHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]Cc2c(C)c3ccccc3n2C)cc1Cl ZINC000480447645 999801407 /nfs/dbraw/zinc/80/14/07/999801407.db2.gz VKIDWPNJKVCVTE-UHFFFAOYSA-N -1 3 423.897 3.716 20 0 HHADHM COc1ccc(-n2c(S[C@H](C)c3nc(C)cc(=O)[n-]3)nnc2-c2ccccn2)cc1 ZINC000489672552 999814810 /nfs/dbraw/zinc/81/48/10/999814810.db2.gz LXDFMYQOKQWFDE-CQSZACIVSA-N -1 3 420.498 3.995 20 0 HHADHM CC[C@@H](c1nnc(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)s1)c1ccccc1 ZINC000480556215 999825860 /nfs/dbraw/zinc/82/58/60/999825860.db2.gz PZNPZRNPZKFXFC-SNVBAGLBSA-N -1 3 411.413 3.539 20 0 HHADHM CC[C@@H](C)n1nc(C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)cc1C ZINC000480628316 999844757 /nfs/dbraw/zinc/84/47/57/999844757.db2.gz YIKSHZAPQBIGDK-SNVBAGLBSA-N -1 3 418.441 3.805 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N(C)CC(F)(F)F ZINC000480697217 999861986 /nfs/dbraw/zinc/86/19/86/999861986.db2.gz AGHYLLQHBFTVCM-UHFFFAOYSA-N -1 3 404.385 3.569 20 0 HHADHM C/C=C\c1ccc(NC(=O)C2([N-]S(=O)(=O)c3c(C)noc3C)CCCC2)cc1 ZINC000489955388 999869030 /nfs/dbraw/zinc/86/90/30/999869030.db2.gz RCYQUIZVJSXMOV-DAXSKMNVSA-N -1 3 403.504 3.554 20 0 HHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]Cc1cc2ccccc2n(C)c1=O ZINC000490293803 999930285 /nfs/dbraw/zinc/93/02/85/999930285.db2.gz OGLITMWYINJWLY-UHFFFAOYSA-N -1 3 416.886 3.725 20 0 HHADHM Cc1nc(S(=O)(=O)CC(=O)Nc2cccc(Cl)c2C)[n-]c1-c1ccccc1 ZINC000490421238 999955148 /nfs/dbraw/zinc/95/51/48/999955148.db2.gz XMHRQIQUKXWRNE-UHFFFAOYSA-N -1 3 403.891 3.759 20 0 HHADHM Cc1[n-]c(S(=O)(=O)CC(=O)Nc2cccc(Cl)c2C)nc1-c1ccccc1 ZINC000490421238 999955150 /nfs/dbraw/zinc/95/51/50/999955150.db2.gz XMHRQIQUKXWRNE-UHFFFAOYSA-N -1 3 403.891 3.759 20 0 HHADHM Cc1nc(S(=O)(=O)[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)[n-]c1-c1ccccc1 ZINC000490444606 999958835 /nfs/dbraw/zinc/95/88/35/999958835.db2.gz FBAHJIGQBFTYMF-LBPRGKRZSA-N -1 3 421.881 3.979 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCCc2sc(Cl)cc21 ZINC000490451388 999959597 /nfs/dbraw/zinc/95/95/97/999959597.db2.gz DKYZYIYUNJZVMO-LLVKDONJSA-N -1 3 403.884 3.683 20 0 HHADHM Cc1nc(S(=O)(=O)[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)[n-]c1-c1ccccc1 ZINC000490452754 999959743 /nfs/dbraw/zinc/95/97/43/999959743.db2.gz RFKYOYWZABRHFY-ZBFHGGJFSA-N -1 3 409.511 3.525 20 0 HHADHM Cc1nc(S(=O)(=O)[C@H](C)C(=O)Nc2ccc(C)c(F)c2)[n-]c1-c1ccccc1 ZINC000490453894 999959963 /nfs/dbraw/zinc/95/99/63/999959963.db2.gz ZOQVVMWIRSQAER-CQSZACIVSA-N -1 3 401.463 3.634 20 0 HHADHM Cc1cc(S(=O)(=O)[N-][C@H](C)[C@H]2OCCc3sccc32)sc1Br ZINC000490501848 999968046 /nfs/dbraw/zinc/96/80/46/999968046.db2.gz VKGLURGIWCCGJM-NOZJJQNGSA-N -1 3 422.391 3.861 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)CCC(=O)c2ccc(Cl)cc2)cc1OC ZINC000490540242 999974635 /nfs/dbraw/zinc/97/46/35/999974635.db2.gz HGPRWUHKMLDFAT-UHFFFAOYSA-N -1 3 424.906 3.712 20 0 HHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C2CCN(C(=O)CC(C)C)CC2)c1Cl ZINC000491753220 1000094040 /nfs/dbraw/zinc/09/40/40/1000094040.db2.gz VWJNLBKOUMZSLC-UHFFFAOYSA-N -1 3 407.363 3.617 20 0 HHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1nc2cc(Cl)ccc2n1C ZINC000492378232 1000124452 /nfs/dbraw/zinc/12/44/52/1000124452.db2.gz RSNVLNLFUUHLJZ-UHFFFAOYSA-N -1 3 407.854 3.899 20 0 HHADHM CC(C)c1noc(CCC[N-]S(=O)(=O)c2cccc(Cl)c2Br)n1 ZINC000493265997 1000166348 /nfs/dbraw/zinc/16/63/48/1000166348.db2.gz YXBGXUQTAMWKEW-UHFFFAOYSA-N -1 3 422.732 3.520 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)Nc2nc3ccccc3s2)cc1OC ZINC000493354174 1000170206 /nfs/dbraw/zinc/17/02/06/1000170206.db2.gz BVNBKMUUISXKAQ-UHFFFAOYSA-N -1 3 406.489 3.711 20 0 HHADHM Cc1nc(C)c(CCC(=O)N[C@@H](c2ccccc2OC(F)F)C(F)(F)F)c(=O)[n-]1 ZINC000493536911 1000177995 /nfs/dbraw/zinc/17/79/95/1000177995.db2.gz NTCSXYPKHFXRIQ-HNNXBMFYSA-N -1 3 419.350 3.753 20 0 HHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H](C)C(F)(F)F)c2)cc1 ZINC000493736846 1000189158 /nfs/dbraw/zinc/18/91/58/1000189158.db2.gz LHGDNSMWHXIAND-ZDUSSCGKSA-N -1 3 400.422 3.785 20 0 HHADHM COc1ccccc1N1CC[C@@H](C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000504538125 1000257023 /nfs/dbraw/zinc/25/70/23/1000257023.db2.gz GLBVOKQFKKHUDS-ZDUSSCGKSA-N -1 3 415.342 3.807 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)CC3CC3)ccc2C)cc1 ZINC000494011464 1000266365 /nfs/dbraw/zinc/26/63/65/1000266365.db2.gz JJTXVUVDRXIGQW-HNNXBMFYSA-N -1 3 402.516 3.723 20 0 HHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cccc(CSc4nccn4C)c3)nc21 ZINC000494074130 1000295540 /nfs/dbraw/zinc/29/55/40/1000295540.db2.gz VGPURCZXWMITPH-UHFFFAOYSA-N -1 3 421.482 3.628 20 0 HHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(OCc4ccccn4)cc3)nc21 ZINC000494089986 1000303564 /nfs/dbraw/zinc/30/35/64/1000303564.db2.gz UHHBPOPCFVVEAE-UHFFFAOYSA-N -1 3 402.410 3.576 20 0 HHADHM CC(C)N1CC[C@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)[C@@H]1c1ccc(F)c(F)c1 ZINC000494111132 1000312771 /nfs/dbraw/zinc/31/27/71/1000312771.db2.gz FBNPUXYRAGENCX-UGKGYDQZSA-N -1 3 411.452 3.760 20 0 HHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3c[nH]c4cccc(Br)c34)nc21 ZINC000494126951 1000319827 /nfs/dbraw/zinc/31/98/27/1000319827.db2.gz GCVCIIGTWDGSRT-UHFFFAOYSA-N -1 3 413.231 3.846 20 0 HHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(C(=O)Nc4ccccc4)cc3)nc21 ZINC000494127536 1000320034 /nfs/dbraw/zinc/32/00/34/1000320034.db2.gz LPSADAVNGCBFJB-UHFFFAOYSA-N -1 3 414.421 3.854 20 0 HHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(NC(=O)CC(C)C)c(F)c3)nc21 ZINC000494128180 1000320704 /nfs/dbraw/zinc/32/07/04/1000320704.db2.gz TYZTVPNKZCYSAD-UHFFFAOYSA-N -1 3 412.421 3.726 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)N[C@H]3CCN(c4ccccc4F)C3)cc2)cc(=O)[n-]1 ZINC000494378436 1000464035 /nfs/dbraw/zinc/46/40/35/1000464035.db2.gz QVCWGHSCSPYWRP-KRWDZBQOSA-N -1 3 407.449 3.697 20 0 HHADHM CC[C@@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2cccc(Cl)c2Br)n[nH]1 ZINC000494415526 1000481223 /nfs/dbraw/zinc/48/12/23/1000481223.db2.gz RNGMTSPJYLRYAB-RKDXNWHRSA-N -1 3 421.748 3.774 20 0 HHADHM CCOC(=O)c1c2ccccc2sc1[N-]C(=O)c1cc(S(C)(=O)=O)cs1 ZINC000505128023 1000565135 /nfs/dbraw/zinc/56/51/35/1000565135.db2.gz ANQPNRVETHYVSH-UHFFFAOYSA-N -1 3 409.510 3.795 20 0 HHADHM O=S(=O)([N-]c1ccc(Cn2cccn2)cc1)c1ccc(OCC(F)(F)F)cc1 ZINC000494618113 1000576618 /nfs/dbraw/zinc/57/66/18/1000576618.db2.gz QJQWALTVBRALKD-UHFFFAOYSA-N -1 3 411.405 3.673 20 0 HHADHM Cc1nc(C)c(CCC(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)c(=O)[n-]1 ZINC000505225530 1000630590 /nfs/dbraw/zinc/63/05/90/1000630590.db2.gz NCOUNXAZDKPFTQ-UHFFFAOYSA-N -1 3 405.380 3.575 20 0 HHADHM C[C@H](c1ccccc1F)N1CCC[C@@H](NC(=O)CCCc2ccc([O-])c(F)c2)C1=O ZINC000505413835 1000756181 /nfs/dbraw/zinc/75/61/81/1000756181.db2.gz HWQGIQMZGXHQJO-FOIQADDNSA-N -1 3 416.468 3.862 20 0 HHADHM COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000505524015 1000868474 /nfs/dbraw/zinc/86/84/74/1000868474.db2.gz OHLMAJJUPNPGBF-UHFFFAOYSA-N -1 3 402.389 3.901 20 0 HHADHM O=C(NCc1ccc([O-])c(F)c1)C(=O)Nc1ccccc1Nc1c(F)cccc1F ZINC000495339649 1000973503 /nfs/dbraw/zinc/97/35/03/1000973503.db2.gz ZSWJXHQWPFRHHG-UHFFFAOYSA-N -1 3 415.371 3.808 20 0 HHADHM O=C(NC[C@H]1CCCC(F)(F)C1)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000505685585 1000974825 /nfs/dbraw/zinc/97/48/25/1000974825.db2.gz CMPKVWOGPZELFX-LBPRGKRZSA-N -1 3 415.437 3.510 20 0 HHADHM O=C(Nc1cc(Cl)ccc1OC[C@H]1CCCCO1)c1cc(F)cc2n[n-]nc21 ZINC000505979573 1001140648 /nfs/dbraw/zinc/14/06/48/1001140648.db2.gz RVZQTZZAIVKEAP-CYBMUJFWSA-N -1 3 404.829 3.951 20 0 HHADHM CCOC(=O)c1cc(C)cc(Br)c1[N-]S(=O)(=O)c1ccsc1 ZINC000506646207 1001481931 /nfs/dbraw/zinc/48/19/31/1001481931.db2.gz BGMLMORVUBSUKJ-UHFFFAOYSA-N -1 3 404.307 3.797 20 0 HHADHM 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3.987 20 0 HHADHM O=S(=O)([N-][C@@H]1CCCC[C@H]1n1cccn1)c1c(Cl)cccc1Br ZINC000510355781 1004503857 /nfs/dbraw/zinc/50/38/57/1004503857.db2.gz CBMBBKMABFERFH-ZIAGYGMSSA-N -1 3 418.744 3.761 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2c(C)onc2-c2ccccc2)cc1OC ZINC000512707438 1004508111 /nfs/dbraw/zinc/50/81/11/1004508111.db2.gz HBUMQFLXBBGFCG-UHFFFAOYSA-N -1 3 415.471 3.673 20 0 HHADHM O=S(=O)([N-]C[C@H](NCc1ccccc1)c1ccco1)c1cc(F)c(F)c(F)c1 ZINC000510368777 1004514149 /nfs/dbraw/zinc/51/41/49/1004514149.db2.gz GCUHHGLJUHPWEZ-KRWDZBQOSA-N -1 3 410.417 3.506 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C1(c2cccc(OC)c2)CC1 ZINC000510368257 1004514230 /nfs/dbraw/zinc/51/42/30/1004514230.db2.gz BJMSHJKSUCTQOP-UHFFFAOYSA-N -1 3 417.508 3.664 20 0 HHADHM O=C(c1cc([O-])ccc1Cl)N1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000510487642 1004605452 /nfs/dbraw/zinc/60/54/52/1004605452.db2.gz CASDIPGGBUYQEC-UHFFFAOYSA-N -1 3 410.857 3.504 20 0 HHADHM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)[C@H](C)C2CCCCC2)cc1F ZINC000510565180 1004709560 /nfs/dbraw/zinc/70/95/60/1004709560.db2.gz OMMAITDGPDTIPF-CQSZACIVSA-N -1 3 420.572 3.567 20 0 HHADHM CCOc1ccc(S(=O)(=O)[N-]c2cc(S(C)(=O)=O)ccc2F)c2ccccc12 ZINC000512958089 1004727979 /nfs/dbraw/zinc/72/79/79/1004727979.db2.gz AVQFXJNLHJQPLT-UHFFFAOYSA-N -1 3 423.487 3.582 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CC[C@H](c3ccccc3C)C2)cc1OC ZINC000510585181 1004732693 /nfs/dbraw/zinc/73/26/93/1004732693.db2.gz SGWGLYXRBIYIDO-INIZCTEOSA-N -1 3 417.531 3.787 20 0 HHADHM O=C(Nc1ccccc1)N1CC[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000510767542 1004840728 /nfs/dbraw/zinc/84/07/28/1004840728.db2.gz WUKOGYPHKLRFHF-CYBMUJFWSA-N -1 3 414.314 3.578 20 0 HHADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccccc1C(F)(F)F ZINC000513173568 1004845135 /nfs/dbraw/zinc/84/51/35/1004845135.db2.gz ZXAXSAHSEFXKQM-UHFFFAOYSA-N -1 3 407.797 3.624 20 0 HHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N[C@H](C)c3c(F)cncc3F)nc(=O)c2c1C ZINC000513247575 1004879048 /nfs/dbraw/zinc/87/90/48/1004879048.db2.gz RYEQYVANDSWZDI-ZJUUUORDSA-N -1 3 422.457 3.555 20 0 HHADHM Cc1cccc(S(=O)(=O)[N-]c2ccc(=O)n(Cc3ccccc3Cl)c2)c1F ZINC000513452884 1004973532 /nfs/dbraw/zinc/97/35/32/1004973532.db2.gz PEOVFIJYIHFYFF-UHFFFAOYSA-N -1 3 406.866 3.798 20 0 HHADHM Cc1ccc(NC(=O)NCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)c(C)c1 ZINC000513543211 1005014574 /nfs/dbraw/zinc/01/45/74/1005014574.db2.gz PYSFYSWFKIECSY-UHFFFAOYSA-N -1 3 416.330 3.710 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@H](CC(C)C)c1ccccc1 ZINC000511099360 1005018736 /nfs/dbraw/zinc/01/87/36/1005018736.db2.gz CQAGYESKMLSVEW-OAQYLSRUSA-N -1 3 404.514 3.977 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(C(=O)NC(C)C)cc3)c2)n1 ZINC000502356276 1005032066 /nfs/dbraw/zinc/03/20/66/1005032066.db2.gz FHYVKMVCRDTDCC-UHFFFAOYSA-N -1 3 404.470 3.802 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@H](c1ccco1)c1ccccc1 ZINC000511136906 1005038883 /nfs/dbraw/zinc/03/88/83/1005038883.db2.gz PCJBUFVEFMPLTE-JOCHJYFZSA-N -1 3 414.465 3.572 20 0 HHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1ccc(OC2CCN(C)CC2)nc1 ZINC000513786440 1005126180 /nfs/dbraw/zinc/12/61/80/1005126180.db2.gz GSYHUUSDDJNYKZ-UHFFFAOYSA-N -1 3 419.478 3.549 20 0 HHADHM O=C(Nc1ccc2nc[nH]c2c1)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000511334562 1005129074 /nfs/dbraw/zinc/12/90/74/1005129074.db2.gz PZKPNBZQSUMZBA-UHFFFAOYSA-N -1 3 410.430 3.755 20 0 HHADHM COC(=O)c1cc(C)ccc1S(=O)(=O)[N-]c1ccc(Cl)cc1Br ZINC000513813845 1005140049 /nfs/dbraw/zinc/14/00/49/1005140049.db2.gz MPFPAILZRTWJDZ-UHFFFAOYSA-N -1 3 418.696 3.998 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@H](OC(C)(C)C)c2ccccc2)cc1OC ZINC000513851222 1005158473 /nfs/dbraw/zinc/15/84/73/1005158473.db2.gz KUZGOACTOVLMDK-LJQANCHMSA-N -1 3 420.531 3.952 20 0 HHADHM COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]CC1(C(F)(F)F)CCC1 ZINC000511400998 1005158639 /nfs/dbraw/zinc/15/86/39/1005158639.db2.gz XTNLYVDRSIMSTK-UHFFFAOYSA-N -1 3 419.343 3.503 20 0 HHADHM COc1cc(C(=O)NCCc2ccc(OCc3ccccc3)cc2)cc(OC)c1[O-] ZINC000513953532 1005200551 /nfs/dbraw/zinc/20/05/51/1005200551.db2.gz PTBKNTIMKSIIAB-UHFFFAOYSA-N -1 3 407.466 3.961 20 0 HHADHM COc1cc(C(=O)N(C)Cc2c(C)nn(-c3ccccc3C)c2C)cc(OC)c1[O-] ZINC000513956755 1005201971 /nfs/dbraw/zinc/20/19/71/1005201971.db2.gz IUAMZPQFLZTDCY-UHFFFAOYSA-N -1 3 409.486 3.793 20 0 HHADHM C[C@H](Nc1ccc(NC(=O)c2cncc([N-]S(C)(=O)=O)c2)cc1)c1ccccc1 ZINC000502943675 1005285975 /nfs/dbraw/zinc/28/59/75/1005285975.db2.gz BHSGPRPKAWYFEY-HNNXBMFYSA-N -1 3 410.499 3.879 20 0 HHADHM CC(C)Cc1ccc([C@H](NC(=O)c2cncc([N-]S(C)(=O)=O)c2)C2CC2)cc1 ZINC000502946183 1005286827 /nfs/dbraw/zinc/28/68/27/1005286827.db2.gz JPVNLMQCHFLPFG-FQEVSTJZSA-N -1 3 401.532 3.533 20 0 HHADHM COc1cccc(C(NC(=O)c2cc(F)cc3n[n-]nc32)c2cccc(OC)c2)c1 ZINC000503027114 1005319644 /nfs/dbraw/zinc/31/96/44/1005319644.db2.gz ZALLMGCCAFCKGC-UHFFFAOYSA-N -1 3 406.417 3.634 20 0 HHADHM CCN(C(=O)Cc1ccc(NC(=O)c2cc(F)cc3n[n-]nc32)cc1)c1ccccc1 ZINC000503175626 1005362421 /nfs/dbraw/zinc/36/24/21/1005362421.db2.gz FEXYEUXACCLVHJ-UHFFFAOYSA-N -1 3 417.444 3.945 20 0 HHADHM CC(C)(C)Oc1cccc(C[N-]S(=O)(=O)c2sccc2Br)n1 ZINC000503220572 1005370965 /nfs/dbraw/zinc/37/09/65/1005370965.db2.gz PRABVYBRCYQIMH-UHFFFAOYSA-N -1 3 405.339 3.561 20 0 HHADHM Cc1c2ccccc2oc1[C@@H](NC(=O)c1cncc([N-]S(C)(=O)=O)c1)C(C)C ZINC000503328322 1005391245 /nfs/dbraw/zinc/39/12/45/1005391245.db2.gz KAZVCAYMGSUYBS-SFHVURJKSA-N -1 3 401.488 3.635 20 0 HHADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]C1(c2ccc(F)cc2)CC1 ZINC000503435607 1005419573 /nfs/dbraw/zinc/41/95/73/1005419573.db2.gz OMTDPOCWSZKIRM-UHFFFAOYSA-N -1 3 418.259 3.704 20 0 HHADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]C/C=C\c1ccccc1 ZINC000503445242 1005422388 /nfs/dbraw/zinc/42/23/88/1005422388.db2.gz CFQQHRAOPVRBRS-YVMONPNESA-N -1 3 400.269 3.589 20 0 HHADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000503463885 1005428286 /nfs/dbraw/zinc/42/82/86/1005428286.db2.gz VLHKKYXYXBXNQH-BXUZGUMPSA-N -1 3 418.259 3.570 20 0 HHADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@H](C)c1ccc(F)cc1F ZINC000503471887 1005430781 /nfs/dbraw/zinc/43/07/81/1005430781.db2.gz SPYLVFLEGZEXHC-MRVPVSSYSA-N -1 3 424.238 3.915 20 0 HHADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]CCSc1ccccc1 ZINC000503501861 1005438660 /nfs/dbraw/zinc/43/86/60/1005438660.db2.gz CZEBUAMNMZXIQQ-UHFFFAOYSA-N -1 3 420.325 3.667 20 0 HHADHM COc1ccc([C@H](NC(=O)c2cc(F)cc3n[n-]nc32)c2ccccc2OC)cc1 ZINC000503731878 1005486677 /nfs/dbraw/zinc/48/66/77/1005486677.db2.gz VLLWUOWUBXACPE-FQEVSTJZSA-N -1 3 406.417 3.634 20 0 HHADHM COCC[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1Cl)c1ccco1 ZINC000503731391 1005486689 /nfs/dbraw/zinc/48/66/89/1005486689.db2.gz BRVHYSYDDYKTCO-GFCCVEGCSA-N -1 3 408.701 3.752 20 0 HHADHM O=S(=O)([N-]Cc1cc(Cl)ccn1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000503801571 1005495437 /nfs/dbraw/zinc/49/54/37/1005495437.db2.gz VKFCABNLJHJQMQ-UHFFFAOYSA-N -1 3 400.312 3.990 20 0 HHADHM C[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F)[C@@H]1CCCOC1 ZINC000503853585 1005500598 /nfs/dbraw/zinc/50/05/98/1005500598.db2.gz HEVICYAIXRPTOL-VHSXEESVSA-N -1 3 416.259 3.561 20 0 HHADHM CCOC(=O)c1c(C)c(C(=O)NC)sc1[N-]C(=O)c1cnc(-c2ccco2)s1 ZINC000504382312 1005613178 /nfs/dbraw/zinc/61/31/78/1005613178.db2.gz SNDZAJMSZMRWNG-UHFFFAOYSA-N -1 3 419.484 3.562 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)NC[C@@H]3CCN(c4ccccc4)C3)cc2)cc(=O)[n-]1 ZINC000504443596 1005630442 /nfs/dbraw/zinc/63/04/42/1005630442.db2.gz UHQVEHRXYPHYDD-KRWDZBQOSA-N -1 3 403.486 3.806 20 0 HHADHM CCc1cccc(C(=O)N2CCN([C@H](C)c3nc(-c4ccc(C)cc4)no3)CC2)c1[O-] ZINC000531117077 1006002380 /nfs/dbraw/zinc/00/23/80/1006002380.db2.gz TZXCNAXWIQSMIN-QGZVFWFLSA-N -1 3 420.513 3.832 20 0 HHADHM CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cc(F)ccc2[O-])cc1 ZINC000531133673 1006010072 /nfs/dbraw/zinc/01/00/72/1006010072.db2.gz QNQYBPOPNFAMFG-UHFFFAOYSA-N -1 3 400.431 3.609 20 0 HHADHM CCC[C@H]1CN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)ccc2C)CCO1 ZINC000534048128 1006016921 /nfs/dbraw/zinc/01/69/21/1006016921.db2.gz BEMHPPYQVIJYNV-IBGZPJMESA-N -1 3 416.543 3.745 20 0 HHADHM CC(=O)Nc1ccc([O-])c(C(=O)NCC2(C(=O)Nc3ccc(C)c(C)c3)CCCC2)c1 ZINC000531160336 1006022769 /nfs/dbraw/zinc/02/27/69/1006022769.db2.gz PATOOGJCTZDFDB-UHFFFAOYSA-N -1 3 423.513 3.896 20 0 HHADHM CCO[C@H]1C[C@H]1C(=O)Nc1ccc(OC)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000514573777 1006042699 /nfs/dbraw/zinc/04/26/99/1006042699.db2.gz SIUYJHDLASTXQT-DYVFJYSZSA-N -1 3 424.906 3.513 20 0 HHADHM Cc1n[nH]c(C)c1CCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000514650076 1006071511 /nfs/dbraw/zinc/07/15/11/1006071511.db2.gz HFIZJEYGQISOQQ-UHFFFAOYSA-N -1 3 412.515 3.707 20 0 HHADHM CC(C)CCOc1ccc(S(=O)(=O)[N-]c2cccc(Cn3cncn3)c2)cc1 ZINC000531382533 1006164493 /nfs/dbraw/zinc/16/44/93/1006164493.db2.gz SCWJXXNHBZGHKV-UHFFFAOYSA-N -1 3 400.504 3.552 20 0 HHADHM O=C(N[C@@H](CCCO)c1ccccc1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000534180470 1006167907 /nfs/dbraw/zinc/16/79/07/1006167907.db2.gz DXUAECCDIPYUOG-INIZCTEOSA-N -1 3 415.287 3.534 20 0 HHADHM C[C@H]1CCCN1C(=O)c1ccc(-c2nc3ccc(Br)cc3c(=O)[n-]2)cc1 ZINC000531414286 1006179962 /nfs/dbraw/zinc/17/99/62/1006179962.db2.gz NUHMMMNOBDNDKV-LBPRGKRZSA-N -1 3 412.287 3.977 20 0 HHADHM CCc1cccc(C(=O)N2CCN([C@@H](C)c3nc(-c4cccs4)no3)CC2)c1[O-] ZINC000531431972 1006192468 /nfs/dbraw/zinc/19/24/68/1006192468.db2.gz FLWFFYZEJSQYCX-AWEZNQCLSA-N -1 3 412.515 3.585 20 0 HHADHM CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)c2cccc(CC)c2[O-])C1 ZINC000531435757 1006195619 /nfs/dbraw/zinc/19/56/19/1006195619.db2.gz DYARIARZTRWSHE-OAHLLOKOSA-N -1 3 400.441 3.608 20 0 HHADHM O=C(Nc1cccc([O-])c1F)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000534211430 1006205276 /nfs/dbraw/zinc/20/52/76/1006205276.db2.gz VCQSFGYWBHKVMZ-UHFFFAOYSA-N -1 3 412.442 3.535 20 0 HHADHM Cc1cc(S(=O)(=O)[N-][C@H](c2nccs2)C(F)(F)F)ccc1Br ZINC000514952926 1006214880 /nfs/dbraw/zinc/21/48/80/1006214880.db2.gz QJUFXDBBBJHTEF-SNVBAGLBSA-N -1 3 415.256 3.796 20 0 HHADHM CC(C)(C)C(=O)Nc1nc(CC(=O)Nc2cc(Br)ccc2[O-])cs1 ZINC000531492692 1006229511 /nfs/dbraw/zinc/22/95/11/1006229511.db2.gz NNQIXXDMCVWZLI-UHFFFAOYSA-N -1 3 412.309 3.777 20 0 HHADHM CC[C@]1(C)CCCN(C(=O)c2c[n-]c3ccc(I)cc3c2=O)C1 ZINC000515006399 1006243899 /nfs/dbraw/zinc/24/38/99/1006243899.db2.gz FMCFHTAKHFRSPE-GOSISDBHSA-N -1 3 424.282 3.785 20 0 HHADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CCO[C@H](c2cccs2)C1 ZINC000531613401 1006306640 /nfs/dbraw/zinc/30/66/40/1006306640.db2.gz DHESNFVJHXXMSA-INIZCTEOSA-N -1 3 419.300 3.566 20 0 HHADHM COC(=O)C1(CS(=O)(=O)[N-]c2ccc(-c3cnc(C4CC4)o3)cc2)CCCC1 ZINC000515260729 1006368761 /nfs/dbraw/zinc/36/87/61/1006368761.db2.gz IKXWMCTWYINNRZ-UHFFFAOYSA-N -1 3 404.488 3.694 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N[C@H](c3cccs3)C3CC3)c2)n1 ZINC000515275374 1006373853 /nfs/dbraw/zinc/37/38/53/1006373853.db2.gz UUXIRFXQAKNVQP-IBGZPJMESA-N -1 3 422.510 3.679 20 0 HHADHM O=S(=O)([N-]C[C@@H](CO)Cc1ccccc1C(F)(F)F)c1ccc(Cl)s1 ZINC000534409161 1006384359 /nfs/dbraw/zinc/38/43/59/1006384359.db2.gz QBNIZYMBOZNIFW-JTQLQIEISA-N -1 3 413.870 3.550 20 0 HHADHM 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20 0 HHADHM COc1cc(Br)c(S(=O)(=O)[N-]CC(C)(C)C(F)(F)F)cc1Cl ZINC000548862227 1010747304 /nfs/dbraw/zinc/74/73/04/1010747304.db2.gz YUPQHLDFXUZPGR-UHFFFAOYSA-N -1 3 424.666 3.978 20 0 HHADHM COc1ccc(NC(=O)C2(NC(=O)c3cc([O-])ccc3Cl)CCCC2)cc1OC ZINC000551701621 1010748384 /nfs/dbraw/zinc/74/83/84/1010748384.db2.gz IMTHJMQWQJPFLZ-UHFFFAOYSA-N -1 3 418.877 3.744 20 0 HHADHM CCc1nnc(C)cc1C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000545371706 1010757605 /nfs/dbraw/zinc/75/76/05/1010757605.db2.gz KHSUGVMUXUNBGZ-UHFFFAOYSA-N -1 3 410.499 3.709 20 0 HHADHM O=S(=O)([N-]c1ccc2nc(-c3ccco3)[nH]c2c1)c1ccccc1Cn1ccnc1 ZINC000545381958 1010765292 /nfs/dbraw/zinc/76/52/92/1010765292.db2.gz ICGVPGJSTOASBM-UHFFFAOYSA-N -1 3 419.466 3.869 20 0 HHADHM CC(C)(C)c1csc(CNC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)n1 ZINC000522153195 1010836858 /nfs/dbraw/zinc/83/68/58/1010836858.db2.gz AJUOTQLBRKLKGC-UHFFFAOYSA-N -1 3 420.332 3.975 20 0 HHADHM CCOc1ccc(OCCCC(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)cc1 ZINC000522259852 1010892888 /nfs/dbraw/zinc/89/28/88/1010892888.db2.gz MHNDABZGWPDLFY-UHFFFAOYSA-N -1 3 407.470 3.942 20 0 HHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H](Oc1cccc(Cl)c1Cl)c1ccccc1 ZINC000522262386 1010894165 /nfs/dbraw/zinc/89/41/65/1010894165.db2.gz XMMNMHLOXVQSMK-RDTXWAMCSA-N -1 3 420.296 3.742 20 0 HHADHM CC[C@H]1CCCN(C(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000522677224 1011153489 /nfs/dbraw/zinc/15/34/89/1011153489.db2.gz JCGHJXFDIABLPL-ZDUSSCGKSA-N -1 3 407.363 3.701 20 0 HHADHM CO[C@@H](c1ccc(F)cc1)[C@@H](C)[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000536125894 1011248673 /nfs/dbraw/zinc/24/86/73/1011248673.db2.gz PCMMDUXWRMFXKB-QLJPJBMISA-N -1 3 420.275 3.782 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)[C@H]3CC[C@@H](C)C3)c2)cc1 ZINC000540642194 1011292511 /nfs/dbraw/zinc/29/25/11/1011292511.db2.gz TTXAPOVJQFTKKT-WBVHZDCISA-N -1 3 402.516 3.548 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)[C@H]3CC[C@H](C)C3)c2)cc1 ZINC000540642193 1011292552 /nfs/dbraw/zinc/29/25/52/1011292552.db2.gz TTXAPOVJQFTKKT-RDJZCZTQSA-N -1 3 402.516 3.548 20 0 HHADHM CCCOc1ccc([N-]S(=O)(=O)c2ccc(C3(C(=O)OC)CC3)cc2)c(C)c1 ZINC000540647909 1011298689 /nfs/dbraw/zinc/29/86/89/1011298689.db2.gz XWCCQXIXVMLWAY-UHFFFAOYSA-N -1 3 403.500 3.789 20 0 HHADHM CCOC(=O)c1ccc(NC(=O)CCCc2nc(-c3ccc(F)cc3)no2)c([O-])c1 ZINC000536199277 1011343562 /nfs/dbraw/zinc/34/35/62/1011343562.db2.gz VWTYNUVUFKKMKQ-UHFFFAOYSA-N -1 3 413.405 3.719 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N(C)c1ccc(F)c(Cl)c1 ZINC000540714184 1011364540 /nfs/dbraw/zinc/36/45/40/1011364540.db2.gz CGYWAXZWKQUJHI-UHFFFAOYSA-N -1 3 400.841 3.528 20 0 HHADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H]1CCCN1C(=O)c1ccccc1OC(F)F ZINC000536218525 1011366534 /nfs/dbraw/zinc/36/65/34/1011366534.db2.gz CPGSETDQMCSWFB-AWEZNQCLSA-N -1 3 410.804 3.890 20 0 HHADHM COC(=O)Cc1nnc(NC(=O)[C@@H](Sc2ccc(C)cc2C)c2ccccc2)[n-]1 ZINC000522925464 1011370122 /nfs/dbraw/zinc/37/01/22/1011370122.db2.gz XPHSNSFFQZEUTN-IBGZPJMESA-N -1 3 410.499 3.609 20 0 HHADHM COC(=O)Cc1nc(NC(=O)[C@@H](Sc2ccc(C)cc2C)c2ccccc2)n[n-]1 ZINC000522925464 1011370131 /nfs/dbraw/zinc/37/01/31/1011370131.db2.gz XPHSNSFFQZEUTN-IBGZPJMESA-N -1 3 410.499 3.609 20 0 HHADHM CCCC[C@@H](COC)[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000522967837 1011415603 /nfs/dbraw/zinc/41/56/03/1011415603.db2.gz NVTVASIULZSTQV-NSHDSACASA-N -1 3 418.275 3.951 20 0 HHADHM COc1cc(Br)ccc1C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000523037744 1011507191 /nfs/dbraw/zinc/50/71/91/1011507191.db2.gz AXQTVJCVIYHWFK-UHFFFAOYSA-N -1 3 414.259 3.769 20 0 HHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cc(F)cc4nc(C)c(C)nc43)cc2)n1 ZINC000523038494 1011508029 /nfs/dbraw/zinc/50/80/29/1011508029.db2.gz HKSGYCMWGSHJOD-UHFFFAOYSA-N -1 3 403.417 3.697 20 0 HHADHM COc1ccc(COCCCC(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)cc1 ZINC000536323798 1011521301 /nfs/dbraw/zinc/52/13/01/1011521301.db2.gz GNCYKZBGUILMIZ-UHFFFAOYSA-N -1 3 407.470 3.689 20 0 HHADHM CCOC(=O)c1ccc(NC(=O)[C@@H](NC(=O)c2ccccc2)c2ccccc2)c([O-])c1 ZINC000536336233 1011537437 /nfs/dbraw/zinc/53/74/37/1011537437.db2.gz ALAKCMHKUNMKLF-NRFANRHFSA-N -1 3 418.449 3.679 20 0 HHADHM COc1ccc(CNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c(C)c1 ZINC000540953782 1011598976 /nfs/dbraw/zinc/59/89/76/1011598976.db2.gz PGPVVLARDKOJBT-HSZRJFAPSA-N -1 3 418.493 3.887 20 0 HHADHM O=c1n(Cc2nc(=O)c3c(-c4ccc(Cl)cc4)csc3[n-]2)nc2ccccn21 ZINC000523224745 1011713995 /nfs/dbraw/zinc/71/39/95/1011713995.db2.gz SXMKQLHMYUKBRK-UHFFFAOYSA-N -1 3 409.858 3.575 20 0 HHADHM CC(C)NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2-c2ccno2)c1 ZINC000541078052 1011718629 /nfs/dbraw/zinc/71/86/29/1011718629.db2.gz FOFHYAKRKJCOOH-UHFFFAOYSA-N -1 3 419.890 3.934 20 0 HHADHM CCC1(CC)[C@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)[C@@H](C)[C@H]1OC ZINC000536601512 1011762748 /nfs/dbraw/zinc/76/27/48/1011762748.db2.gz KJFKQORBEPURFK-HWOJHCLVSA-N -1 3 421.335 3.860 20 0 HHADHM CCOC(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccc(NC(C)=O)cc2)c([O-])c1 ZINC000536620459 1011777677 /nfs/dbraw/zinc/77/76/77/1011777677.db2.gz VXKRTMUQODAGGI-GFCCVEGCSA-N -1 3 402.472 3.647 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CN[C@H](C)c3cscn3)c2)cc1 ZINC000536626097 1011781944 /nfs/dbraw/zinc/78/19/44/1011781944.db2.gz CLMZHLHBAYOBDS-CQSZACIVSA-N -1 3 403.529 3.803 20 0 HHADHM COCCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(F)c2C)cc1Cl ZINC000541164121 1011830914 /nfs/dbraw/zinc/83/09/14/1011830914.db2.gz GAPDXQZBLQQKAG-UHFFFAOYSA-N -1 3 403.859 3.622 20 0 HHADHM CC[C@@H](c1ccncc1)N(C)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000523401984 1011881596 /nfs/dbraw/zinc/88/15/96/1011881596.db2.gz ARZZGZGGQXPKTN-KRWDZBQOSA-N -1 3 400.276 3.909 20 0 HHADHM Cc1nc(C)c(CCC(=O)Nc2ccn(-c3cccc(C(F)(F)F)c3)n2)c(=O)[n-]1 ZINC000541228978 1011903753 /nfs/dbraw/zinc/90/37/53/1011903753.db2.gz KUZJNWPGWVZTGN-UHFFFAOYSA-N -1 3 405.380 3.575 20 0 HHADHM CCCCN1C(=O)C[C@@H](C(=O)NCc2ccc([O-])c(F)c2)[C@H]1c1ccc(OC)cc1 ZINC000523424665 1011912904 /nfs/dbraw/zinc/91/29/04/1011912904.db2.gz IQEGTPBXBKCHHY-XMSQKQJNSA-N -1 3 414.477 3.546 20 0 HHADHM COc1ccc([C@H](OC)[C@@H](C)[N-]S(=O)(=O)c2oc3ccc(F)cc3c2C)cc1 ZINC000536757760 1011950235 /nfs/dbraw/zinc/95/02/35/1011950235.db2.gz VFDIWZRBVRSAAV-BFUOFWGJSA-N -1 3 407.463 3.943 20 0 HHADHM O=C(NCc1cccc(NC(=O)c2cccc(F)c2)c1)NCc1ccc([O-])c(F)c1 ZINC000523461184 1011964192 /nfs/dbraw/zinc/96/41/92/1011964192.db2.gz CBQZFMUIHPOSAA-UHFFFAOYSA-N -1 3 411.408 3.922 20 0 HHADHM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(-n3nnnc3C(C)C)c(C)c2)cc1C ZINC000541303424 1012006825 /nfs/dbraw/zinc/00/68/25/1012006825.db2.gz SKRVRIPHFMOOAK-UHFFFAOYSA-N -1 3 415.519 3.520 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)cc1Br ZINC000541306826 1012012933 /nfs/dbraw/zinc/01/29/33/1012012933.db2.gz FTURXYXIHXLXFN-UHFFFAOYSA-N -1 3 422.247 3.902 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCc3nc(-c4ccoc4)no3)c2)n1 ZINC000523505536 1012028289 /nfs/dbraw/zinc/02/82/89/1012028289.db2.gz YRTQRZMVLMOIEQ-UHFFFAOYSA-N -1 3 405.414 3.626 20 0 HHADHM COCCCOc1ccc([N-]S(=O)(=O)c2c(C)cc(OC)cc2C)cc1OC ZINC000551943731 1012029047 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408.477 3.916 20 0 HHADHM O=C(c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)N1CCO[C@@H](c2cccs2)C1 ZINC000541562472 1012351686 /nfs/dbraw/zinc/35/16/86/1012351686.db2.gz WXCXIIYMBIGLIF-CQSZACIVSA-N -1 3 424.400 3.702 20 0 HHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1cc(F)c(Br)c(Cl)c1 ZINC000552354720 1012363441 /nfs/dbraw/zinc/36/34/41/1012363441.db2.gz MCBASXQMXPXWKI-UHFFFAOYSA-N -1 3 410.634 3.598 20 0 HHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1cc(F)c(Br)c(Cl)c1 ZINC000552354720 1012363453 /nfs/dbraw/zinc/36/34/53/1012363453.db2.gz MCBASXQMXPXWKI-UHFFFAOYSA-N -1 3 410.634 3.598 20 0 HHADHM C[C@H]1CCC[C@@H](CCNC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)C1 ZINC000523754149 1012380123 /nfs/dbraw/zinc/38/01/23/1012380123.db2.gz MEEKUJLXVMQMPI-GJZGRUSLSA-N -1 3 407.511 3.901 20 0 HHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]Cc2ccc([C@@H]3C[C@@H]3C)o2)cc1Cl ZINC000552531510 1012550497 /nfs/dbraw/zinc/55/04/97/1012550497.db2.gz GSIMMFOITIEWCK-JOYOIKCWSA-N -1 3 400.859 3.632 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(Cc2ccco2)Cc2ccco2)c1 ZINC000552560104 1012570279 /nfs/dbraw/zinc/57/02/79/1012570279.db2.gz HWRJHXZVXXOLHD-UHFFFAOYSA-N -1 3 421.409 3.970 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCC3CC(F)(F)C3)ccc2C)cc1 ZINC000552568024 1012577091 /nfs/dbraw/zinc/57/70/91/1012577091.db2.gz AZRIPDWLFOBPEM-UHFFFAOYSA-N -1 3 424.469 3.580 20 0 HHADHM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)F)c2Cl)cc1F ZINC000541792557 1012665769 /nfs/dbraw/zinc/66/57/69/1012665769.db2.gz JEOKLMOYPZPZJD-UHFFFAOYSA-N -1 3 413.826 3.621 20 0 HHADHM COc1ccccc1S(=O)(=O)[N-]c1cc(C(=O)N2CCCCC2)ccc1Cl ZINC000524019637 1012765849 /nfs/dbraw/zinc/76/58/49/1012765849.db2.gz XTXHJXDZGPSSCM-UHFFFAOYSA-N -1 3 408.907 3.776 20 0 HHADHM CCCc1cnc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)s1 ZINC000537377297 1012852835 /nfs/dbraw/zinc/85/28/35/1012852835.db2.gz RDITYTKGXLUQRS-UHFFFAOYSA-N -1 3 408.480 3.616 20 0 HHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2cnc(C)nc2C)cc1 ZINC000537425852 1012911589 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VTLSTKYPBAFYAJ-UHFFFAOYSA-N -1 3 402.892 3.886 20 0 HHADHM O=C(Cc1csc(-c2ccc(Cl)s2)n1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000591175380 1074143469 /nfs/dbraw/zinc/14/34/69/1074143469.db2.gz VTLSTKYPBAFYAJ-UHFFFAOYSA-N -1 3 402.892 3.886 20 0 HHADHM CSc1nc(NC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)n[n-]1 ZINC000591166956 1074162549 /nfs/dbraw/zinc/16/25/49/1074162549.db2.gz XWNXUHJAOOTZFF-OAHLLOKOSA-N -1 3 415.906 3.680 20 0 HHADHM CO[C@](C)(C(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21)c1ccccc1 ZINC001649005909 1074180510 /nfs/dbraw/zinc/18/05/10/1074180510.db2.gz LHBABLLNLHJOBB-BTYIYWSLSA-N -1 3 420.431 3.747 20 0 HHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)CCc1ccccc1F ZINC000591367533 1074267946 /nfs/dbraw/zinc/26/79/46/1074267946.db2.gz AXUCXLMPLYCJIO-UHFFFAOYSA-N -1 3 404.385 3.787 20 0 HHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)CCOCc1ccccc1 ZINC000591367386 1074268449 /nfs/dbraw/zinc/26/84/49/1074268449.db2.gz WYYJFTJDQIIONB-UHFFFAOYSA-N -1 3 416.421 3.622 20 0 HHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)CCOc1cccc(F)c1 ZINC000591367407 1074268479 /nfs/dbraw/zinc/26/84/79/1074268479.db2.gz YVTDYVGREXQAHJ-UHFFFAOYSA-N -1 3 420.384 3.624 20 0 HHADHM O=C(NCCNc1ccccc1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000760831534 1074308324 /nfs/dbraw/zinc/30/83/24/1074308324.db2.gz JUDRTPGODOFZCK-UHFFFAOYSA-N -1 3 420.694 3.786 20 0 HHADHM COCC[C@@H](C)C[N-]S(=O)(=O)c1csnc1-c1cccc(C(F)(F)F)c1 ZINC001212169489 1074565389 /nfs/dbraw/zinc/56/53/89/1074565389.db2.gz UMHWOXPPHVMOML-LLVKDONJSA-N -1 3 408.467 3.780 20 0 HHADHM CCOc1cc(C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)ccc1OC(F)F ZINC000591817084 1074570870 /nfs/dbraw/zinc/57/08/70/1074570870.db2.gz PIKGZGRFBIGFTO-UHFFFAOYSA-N -1 3 411.348 3.583 20 0 HHADHM O=S(=O)([N-][C@H]1CCN(c2ccc(F)cc2F)C1)c1cccc(Cl)c1Cl ZINC000592824237 1075124541 /nfs/dbraw/zinc/12/45/41/1075124541.db2.gz MUFOWXXKLNKHEN-NSHDSACASA-N -1 3 407.269 3.829 20 0 HHADHM CCc1nc(CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)cs1 ZINC000593883925 1075232371 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410.495 3.666 20 0 HHADHM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)cc2C)cc1 ZINC000050534763 964348831 /nfs/dbraw/zinc/34/88/31/964348831.db2.gz PYTWKRNXPOOSLX-UHFFFAOYSA-N -1 3 419.572 3.698 20 0 HHADHM CCCOc1ccc(S(=O)(=O)[N-]c2cccc(CN3CCCCC3=O)c2)cc1 ZINC000050534194 964349202 /nfs/dbraw/zinc/34/92/02/964349202.db2.gz WSFFHIRJRVDAST-UHFFFAOYSA-N -1 3 402.516 3.789 20 0 HHADHM O=S(=O)([N-]C1CCN(Cc2ccccc2)CC1)c1cc(Cl)sc1Cl ZINC000026319760 964523353 /nfs/dbraw/zinc/52/33/53/964523353.db2.gz LWWGTFGDMJSRSB-UHFFFAOYSA-N -1 3 405.372 3.998 20 0 HHADHM COc1ccc(C=CC(=O)O[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)cc1O ZINC000052177954 964831331 /nfs/dbraw/zinc/83/13/31/964831331.db2.gz NVLZJCGQKILJFS-IOCXFXADSA-N -1 3 400.456 3.633 20 0 HHADHM N#Cc1ccc(Cc2cnc([N-]C(=O)c3cccc[n+]3[O-])s2)c(C(F)(F)F)c1 ZINC000053283451 965117915 /nfs/dbraw/zinc/11/79/15/965117915.db2.gz OVAFIDCBCYDHTI-UHFFFAOYSA-N -1 3 404.373 3.510 20 0 HHADHM O=C([N-]c1nc2ccccc2s1)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000028928179 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20 0 HHADHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(F)c(NS(C)(=O)=O)c2)c(C)c1C ZINC000029403431 965369663 /nfs/dbraw/zinc/36/96/63/965369663.db2.gz FKPQHSQZJYGLDN-UHFFFAOYSA-N -1 3 414.524 3.540 20 0 HHADHM O=C(c1sc2ccccc2c1Cl)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000029688342 965458906 /nfs/dbraw/zinc/45/89/06/965458906.db2.gz JKGUKYTWGITXMI-UHFFFAOYSA-N -1 3 400.887 3.859 20 0 HHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2c2ccccc2)ccc1F ZINC000029782612 965497033 /nfs/dbraw/zinc/49/70/33/965497033.db2.gz QKAIZCLWRZXQGH-SFHVURJKSA-N -1 3 404.507 3.880 20 0 HHADHM CN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)[C@H]1CCc2ccccc21 ZINC000029822207 965514112 /nfs/dbraw/zinc/51/41/12/965514112.db2.gz QOUPISAOLKORKW-SFHVURJKSA-N -1 3 404.507 3.662 20 0 HHADHM O=S(=O)([N-][C@@H](CN1CCCC1)c1ccccc1)c1ccc(Br)s1 ZINC000030008191 965593957 /nfs/dbraw/zinc/59/39/57/965593957.db2.gz QIIROPHZRZUICC-AWEZNQCLSA-N -1 3 415.378 3.626 20 0 HHADHM CC(C)N(Cc1ccccc1)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000030112915 965614211 /nfs/dbraw/zinc/61/42/11/965614211.db2.gz URQMJOPGYOTIPT-UHFFFAOYSA-N -1 3 406.523 3.953 20 0 HHADHM CCOc1ccc(C=C(C#N)C(=O)Nc2cccc(-c3nc(CC)cc(=O)[n-]3)c2)cc1 ZINC000058380999 965713357 /nfs/dbraw/zinc/71/33/57/965713357.db2.gz CRLNZCLXQFHPMQ-LDADJPATSA-N -1 3 414.465 3.944 20 0 HHADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)CCN1Cc1ccccc1 ZINC000553762660 1013596342 /nfs/dbraw/zinc/59/63/42/1013596342.db2.gz OGSTYKGHTZILEK-HIFRSBDPSA-N -1 3 414.905 3.950 20 0 HHADHM O=S(=O)([N-]CCCOCC1CC1)c1ccc(Br)cc1C(F)(F)F ZINC000055221669 965788151 /nfs/dbraw/zinc/78/81/51/965788151.db2.gz VYBGFEPXIGIUHB-UHFFFAOYSA-N -1 3 416.259 3.563 20 0 HHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)c2ccc(OCc3cccnc3)cc2)c1 ZINC000055250301 965794718 /nfs/dbraw/zinc/79/47/18/965794718.db2.gz XYXMNNSPWVTEKV-HNNXBMFYSA-N -1 3 405.454 3.816 20 0 HHADHM O=C(Cc1ccc(Cl)cc1)N[N-]C(=O)c1cnc2ccccc2c1C(F)(F)F ZINC000030920803 965834287 /nfs/dbraw/zinc/83/42/87/965834287.db2.gz IJKPVKLAVMNMCE-UHFFFAOYSA-N -1 3 407.779 3.911 20 0 HHADHM CCCCc1ccc(C(=O)COC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000058721881 965860998 /nfs/dbraw/zinc/86/09/98/965860998.db2.gz AMSGGOSTSOKIID-HXUWFJFHSA-N -1 3 409.482 3.766 20 0 HHADHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2CCc2ccccc2)ccc1F ZINC000055487592 965886103 /nfs/dbraw/zinc/88/61/03/965886103.db2.gz WXOUZGMAIOLCPD-LJQANCHMSA-N -1 3 416.518 3.527 20 0 HHADHM CCOC(=O)c1sc2[n-]c(CC(=O)Nc3cccc(Cl)c3C)nc(=O)c2c1C ZINC000055494033 965890074 /nfs/dbraw/zinc/89/00/74/965890074.db2.gz QLCMFSRXKNCBSK-UHFFFAOYSA-N -1 3 419.890 3.613 20 0 HHADHM O=c1[n-]nc(SCc2nc3ccccc3n2C(F)F)n1CCc1ccccc1 ZINC000055542691 965906557 /nfs/dbraw/zinc/90/65/57/965906557.db2.gz MGUYSBOHCZRFGT-UHFFFAOYSA-N -1 3 401.442 3.851 20 0 HHADHM Cc1c([N-]S(=O)(=O)c2ccc(OCC3CCCCC3)cc2)cccc1C(N)=O ZINC000055587720 965941983 /nfs/dbraw/zinc/94/19/83/965941983.db2.gz VPKUATREVGEJFR-UHFFFAOYSA-N -1 3 402.516 3.854 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(NC(C)=O)c2)cc1Br ZINC000055615356 965962642 /nfs/dbraw/zinc/96/26/42/965962642.db2.gz QTMQFPIMPVAOBS-UHFFFAOYSA-N -1 3 413.293 3.525 20 0 HHADHM Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3ccc4oc(=O)ccc4c3)cc2F)n1 ZINC000055649442 965994566 /nfs/dbraw/zinc/99/45/66/965994566.db2.gz ADYHMTQBWZYMKP-UHFFFAOYSA-N -1 3 413.430 3.535 20 0 HHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(NC(C)=O)c2C)cc1OCC ZINC000055674318 966011646 /nfs/dbraw/zinc/01/16/46/966011646.db2.gz WJLLUSDHMQEIKO-UHFFFAOYSA-N -1 3 406.504 3.860 20 0 HHADHM O=C(N[C@@H](CO)c1ccc(Br)c(F)c1)c1cc([O-])c2ccccc2c1 ZINC000553796607 1013621858 /nfs/dbraw/zinc/62/18/58/1013621858.db2.gz UHSIHTQKCPLYRI-KRWDZBQOSA-N -1 3 404.235 3.910 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000060319168 966089147 /nfs/dbraw/zinc/08/91/47/966089147.db2.gz QVGFHTJEDZGYLY-UHFFFAOYSA-N -1 3 420.366 3.870 20 0 HHADHM O=C(c1ccccc1[O-])N1CCN(C(=S)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000060434978 966142072 /nfs/dbraw/zinc/14/20/72/966142072.db2.gz CDHHMMGBLABUAP-UHFFFAOYSA-N -1 3 409.433 3.566 20 0 HHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCCSc3ccccc32)ccc1F ZINC000031884216 966144894 /nfs/dbraw/zinc/14/48/94/966144894.db2.gz OQVLZZIUSKXTJE-UHFFFAOYSA-N -1 3 408.520 3.655 20 0 HHADHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(OCCC)cc2C)ccc1F ZINC000055990558 966173109 /nfs/dbraw/zinc/17/31/09/966173109.db2.gz YGTCPOPTGBOGRE-UHFFFAOYSA-N -1 3 406.479 3.640 20 0 HHADHM O=C(Nc1ccc2c(c1)CCO2)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000032017931 966175781 /nfs/dbraw/zinc/17/57/81/966175781.db2.gz IXABMKHCCLZOMS-UHFFFAOYSA-N -1 3 412.442 3.814 20 0 HHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCc1csc(-c2ccccc2)n1 ZINC000032057916 966185339 /nfs/dbraw/zinc/18/53/39/966185339.db2.gz MKCUFAGNQBCNEM-UHFFFAOYSA-N -1 3 405.483 3.605 20 0 HHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000032057512 966185713 /nfs/dbraw/zinc/18/57/13/966185713.db2.gz KJPHYSVGQHCYAT-UHFFFAOYSA-N -1 3 417.425 3.649 20 0 HHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cc(Br)ccc1Cl ZINC000032332223 966225203 /nfs/dbraw/zinc/22/52/03/966225203.db2.gz QYMFHRZFAIZIEV-UHFFFAOYSA-N -1 3 403.685 3.726 20 0 HHADHM O=C([N-]c1nnc(C2CC2)s1)c1ccc(C(=O)Nc2nnc(C3CC3)s2)s1 ZINC000060614490 966230328 /nfs/dbraw/zinc/23/03/28/966230328.db2.gz HJEJLANGPMJRBP-UHFFFAOYSA-N -1 3 418.529 3.711 20 0 HHADHM O=C(NCC1(c2cccc(Br)c2)CCC1)NN=c1ccc(Cl)n[n-]1 ZINC000060632313 966238084 /nfs/dbraw/zinc/23/80/84/966238084.db2.gz SOEBCMCGYHXBIY-UHFFFAOYSA-N -1 3 410.703 3.641 20 0 HHADHM COc1ccc([C@@H](C[N-]S(=O)(=O)c2cccc(Cl)c2F)N2CCCC2)cc1 ZINC000032404524 966242268 /nfs/dbraw/zinc/24/22/68/966242268.db2.gz NDBWQTQQNKUAMT-QGZVFWFLSA-N -1 3 412.914 3.603 20 0 HHADHM C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC=C2C(=O)[N-]C(=O)c3ccccc32)C1 ZINC000032585150 966286387 /nfs/dbraw/zinc/28/63/87/966286387.db2.gz QRWAEHSVFSVAOK-VTLGGBRFSA-N -1 3 403.482 3.528 20 0 HHADHM C[C@@H]1C[C@H](C)CN(C(=O)c2ccccc2NC=C2C(=O)[N-]C(=O)c3ccccc32)C1 ZINC000032585151 966286588 /nfs/dbraw/zinc/28/65/88/966286588.db2.gz QRWAEHSVFSVAOK-ZAYKHXHNSA-N -1 3 403.482 3.528 20 0 HHADHM CCOc1ccc(S(=O)(=O)NN=c2[n-]cc(C(F)(F)F)cc2Cl)cc1C ZINC000032586507 966287515 /nfs/dbraw/zinc/28/75/15/966287515.db2.gz ONJOAWMVYLTRGE-UHFFFAOYSA-N -1 3 409.817 3.766 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3nnc4n3CCCCC4)c2)cc1C ZINC000032588013 966287629 /nfs/dbraw/zinc/28/76/29/966287629.db2.gz YQHVRKKWSUBODM-UHFFFAOYSA-N -1 3 412.515 3.789 20 0 HHADHM CN(C)C(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)c1 ZINC000032592230 966289305 /nfs/dbraw/zinc/28/93/05/966289305.db2.gz KXYISRIURBUOIL-UHFFFAOYSA-N -1 3 422.812 3.741 20 0 HHADHM O=S(=O)([N-]c1cccc(Cl)c1F)c1cc2c(cc1Br)OCCO2 ZINC000060838089 966304704 /nfs/dbraw/zinc/30/47/04/966304704.db2.gz JOFZEZAVQSQMEK-UHFFFAOYSA-N -1 3 422.659 3.814 20 0 HHADHM O=C(NCCNc1nc(C2CC2)nc2sc3c(c21)CCCC3)c1ccc([O-])cc1 ZINC000060859789 966312538 /nfs/dbraw/zinc/31/25/38/966312538.db2.gz PTKFMQCVDHVDPU-UHFFFAOYSA-N -1 3 408.527 3.995 20 0 HHADHM CN(C)c1ccccc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000033121934 966374677 /nfs/dbraw/zinc/37/46/77/966374677.db2.gz VAAYKIHGCJLDGJ-UHFFFAOYSA-N -1 3 413.474 3.945 20 0 HHADHM C[C@H](Cc1ccco1)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000033206699 966391224 /nfs/dbraw/zinc/39/12/24/966391224.db2.gz BENZJKNBRJLYGZ-CQSZACIVSA-N -1 3 402.447 3.581 20 0 HHADHM Cc1cccn2cc(COc3ccc(C(=O)Nc4nnc(C(F)(F)F)[n-]4)cc3)nc12 ZINC000036714297 966443623 /nfs/dbraw/zinc/44/36/23/966443623.db2.gz RAQXLVPMQWWTEO-UHFFFAOYSA-N -1 3 416.363 3.611 20 0 HHADHM Cc1cccn2cc(COc3ccc(C(=O)Nc4nc(C(F)(F)F)n[n-]4)cc3)nc12 ZINC000036714297 966443629 /nfs/dbraw/zinc/44/36/29/966443629.db2.gz RAQXLVPMQWWTEO-UHFFFAOYSA-N -1 3 416.363 3.611 20 0 HHADHM Cc1cccn2cc(COc3ccc(C(=O)Nc4n[n-]c(C(F)(F)F)n4)cc3)nc12 ZINC000036714297 966443632 /nfs/dbraw/zinc/44/36/32/966443632.db2.gz RAQXLVPMQWWTEO-UHFFFAOYSA-N -1 3 416.363 3.611 20 0 HHADHM CCOc1ccccc1Oc1ccc(CNC(=O)c2cc3c(cc2[O-])OCO3)cn1 ZINC000056978339 966541025 /nfs/dbraw/zinc/54/10/25/966541025.db2.gz GFKMBBGRHITBAR-UHFFFAOYSA-N -1 3 408.410 3.637 20 0 HHADHM Cc1cccc(-c2noc(CSc3nc4c(cnn4-c4ccccc4)c(=O)[n-]3)n2)c1 ZINC000041702823 966615284 /nfs/dbraw/zinc/61/52/84/966615284.db2.gz LHFZIQNXUUVKOI-UHFFFAOYSA-N -1 3 416.466 3.760 20 0 HHADHM COc1cccc(CNC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c1 ZINC000043065694 966895186 /nfs/dbraw/zinc/89/51/86/966895186.db2.gz RIHMBZOKIJGZJO-UHFFFAOYSA-N -1 3 417.893 3.615 20 0 HHADHM CCCCc1cc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)n[nH]1 ZINC000064078754 967040102 /nfs/dbraw/zinc/04/01/02/967040102.db2.gz JGQNQHJPLJMAJL-UHFFFAOYSA-N -1 3 416.478 3.945 20 0 HHADHM CCCCc1cc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)n[nH]1 ZINC000064079038 967041007 /nfs/dbraw/zinc/04/10/07/967041007.db2.gz YNNISWYDUQELRU-UHFFFAOYSA-N -1 3 416.478 3.945 20 0 HHADHM CCOC(=O)c1cc(NC(=O)CCc2nc3cc(Br)ccc3s2)[n-]n1 ZINC000542832823 1013697568 /nfs/dbraw/zinc/69/75/68/1013697568.db2.gz STTMFPJEFRRXFK-UHFFFAOYSA-N -1 3 423.292 3.530 20 0 HHADHM CCOC(=O)c1cc(NC(=O)CCc2nc3cc(Br)ccc3s2)n[n-]1 ZINC000542832823 1013697571 /nfs/dbraw/zinc/69/75/71/1013697571.db2.gz STTMFPJEFRRXFK-UHFFFAOYSA-N -1 3 423.292 3.530 20 0 HHADHM O=C(c1ccc([O-])cc1)N1CCN(C(=S)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000044138155 967134728 /nfs/dbraw/zinc/13/47/28/967134728.db2.gz SSQYSZBDDJSUNE-UHFFFAOYSA-N -1 3 409.433 3.566 20 0 HHADHM C=CCOc1ccc(C=CC(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)cc1OC ZINC000064342363 967147431 /nfs/dbraw/zinc/14/74/31/967147431.db2.gz RJJIOMAXSSGAGJ-WUXMJOGZSA-N -1 3 417.465 3.971 20 0 HHADHM Cc1ccc([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1NS(C)(=O)=O ZINC000064373924 967158607 /nfs/dbraw/zinc/15/86/07/967158607.db2.gz OUGPQKVXIBXDIP-UHFFFAOYSA-N -1 3 410.561 3.709 20 0 HHADHM CCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cccc(C)c2C(=O)OC)c1 ZINC000064476303 967202270 /nfs/dbraw/zinc/20/22/70/967202270.db2.gz CFXAANQLALPWOU-UHFFFAOYSA-N -1 3 410.879 3.584 20 0 HHADHM CSc1ccc(S(=O)(=O)[N-]c2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1 ZINC000064476253 967202454 /nfs/dbraw/zinc/20/24/54/967202454.db2.gz SLJXLKFGQQJLIG-KBPBESRZSA-N -1 3 410.536 3.962 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(CC)C3CC3)ccc2C)cc1 ZINC000044545155 967236302 /nfs/dbraw/zinc/23/63/02/967236302.db2.gz QGDPYOFQSBKBNM-UHFFFAOYSA-N -1 3 402.516 3.819 20 0 HHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(OC(F)F)c2)ccc1F ZINC000044580793 967247708 /nfs/dbraw/zinc/24/77/08/967247708.db2.gz ARVXZBFPIWFWBD-UHFFFAOYSA-N -1 3 416.421 3.756 20 0 HHADHM O=C(CCCc1ccc2c(c1)-c1ccccc1C2)NCCNC(=O)c1ccc([O-])cc1 ZINC000064656605 967262810 /nfs/dbraw/zinc/26/28/10/967262810.db2.gz WHPYKDJUJRUTOJ-UHFFFAOYSA-N -1 3 414.505 3.832 20 0 HHADHM COc1ccc2oc(C)c(C(=O)N[N-]C(=O)c3ccccc3Br)c2c1 ZINC000044813225 967295513 /nfs/dbraw/zinc/29/55/13/967295513.db2.gz IMIWWFCHNYZBBF-UHFFFAOYSA-N -1 3 403.232 3.587 20 0 HHADHM Cc1cc(C)c(/C=C/C(=O)N[N-]C(=O)c2ccc(F)cc2Br)cc1C ZINC000064835736 967306317 /nfs/dbraw/zinc/30/63/17/967306317.db2.gz WQSHJUAHHFYWIO-QPJJXVBHSA-N -1 3 405.267 3.988 20 0 HHADHM C[C@@H]1c2ccsc2CCN1C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000045079577 967348393 /nfs/dbraw/zinc/34/83/93/967348393.db2.gz NEEPRUGSJLNGAJ-GFCCVEGCSA-N -1 3 419.503 3.776 20 0 HHADHM CN(c1ccccc1)c1ccccc1C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000065056226 967359308 /nfs/dbraw/zinc/35/93/08/967359308.db2.gz HEAVADIWPZRCDZ-UHFFFAOYSA-N -1 3 415.493 3.758 20 0 HHADHM O=C(NCCNC(=O)c1ccc([O-])cc1)c1cn(Cc2ccccc2)c2ccccc12 ZINC000065072348 967364984 /nfs/dbraw/zinc/36/49/84/967364984.db2.gz PWIBLLRHCHGBPV-UHFFFAOYSA-N -1 3 413.477 3.555 20 0 HHADHM CN(CCc1ccccc1)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000045179784 967370902 /nfs/dbraw/zinc/37/09/02/967370902.db2.gz JHOXZHATSICABB-UHFFFAOYSA-N -1 3 412.486 3.941 20 0 HHADHM CCOc1ccc([C@H](NC(=O)N[N-]C(=O)c2ccccc2F)C(C)C)cc1OCC ZINC000045263227 967396989 /nfs/dbraw/zinc/39/69/89/967396989.db2.gz WLSIJMDHFXLEHY-HXUWFJFHSA-N -1 3 417.481 3.964 20 0 HHADHM CC(C)c1ccc(C(=O)N2CCN(C(=O)Cc3ccccc3Cl)CC2)c([O-])c1 ZINC000065217024 967409846 /nfs/dbraw/zinc/40/98/46/967409846.db2.gz SFQQEFQAMDFOPL-UHFFFAOYSA-N -1 3 400.906 3.696 20 0 HHADHM CC[C@H](NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1cccc(Cl)c1 ZINC000046040980 967646053 /nfs/dbraw/zinc/64/60/53/967646053.db2.gz FZRZPJSRTXSZLL-IBGZPJMESA-N -1 3 401.894 3.664 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](C)Oc3ccc4c(c3)CCC4)c2)n1 ZINC000046067161 967650931 /nfs/dbraw/zinc/65/09/31/967650931.db2.gz MINYCZUJPICTGM-OAHLLOKOSA-N -1 3 403.482 3.894 20 0 HHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3ccn(-c4ccc(F)cc4)n3)nc(=O)c2c1C ZINC000046305554 967732600 /nfs/dbraw/zinc/73/26/00/967732600.db2.gz HBLGANIWNVRXEX-NSHDSACASA-N -1 3 412.446 3.844 20 0 HHADHM O=C(OCc1csc(Br)c1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000046333105 967745676 /nfs/dbraw/zinc/74/56/76/967745676.db2.gz MEWUMRQARFEEPC-CYBMUJFWSA-N -1 3 410.289 3.564 20 0 HHADHM O=S(=O)(N[C@H](c1ccc(Cl)cc1)C1CC1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000554024680 1013760824 /nfs/dbraw/zinc/76/08/24/1013760824.db2.gz GVFBNCRPXXCFIL-INIZCTEOSA-N -1 3 424.313 3.603 20 0 HHADHM O=S(=O)(N[C@H](c1ccc(Cl)cc1)C1CC1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000554024680 1013760828 /nfs/dbraw/zinc/76/08/28/1013760828.db2.gz GVFBNCRPXXCFIL-INIZCTEOSA-N -1 3 424.313 3.603 20 0 HHADHM COc1ccccc1[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)s1)N1CCCC1 ZINC000047032308 968035323 /nfs/dbraw/zinc/03/53/23/968035323.db2.gz ZIMCOLJFIRAYND-CQSZACIVSA-N -1 3 400.953 3.526 20 0 HHADHM O=C(Nc1ccccc1F)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000047156518 968069084 /nfs/dbraw/zinc/06/90/84/968069084.db2.gz YQPCBWDXCPSXTE-UHFFFAOYSA-N -1 3 403.262 3.826 20 0 HHADHM O=CN1CCc2cc(C(=O)CSc3nnc([N-]c4ccccc4F)s3)ccc21 ZINC000047221548 968092549 /nfs/dbraw/zinc/09/25/49/968092549.db2.gz NGSLGNUITYLNMS-UHFFFAOYSA-N -1 3 414.487 3.915 20 0 HHADHM Cc1cccc(NC(=O)[C@H]2CCCN(Cc3nc4c5ccccc5oc4c(=O)[n-]3)C2)n1 ZINC000047260780 968108839 /nfs/dbraw/zinc/10/88/39/968108839.db2.gz HAWNDOICLQJSBP-HNNXBMFYSA-N -1 3 417.469 3.636 20 0 HHADHM C[C@H](c1ccncc1)N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000047277738 968118155 /nfs/dbraw/zinc/11/81/55/968118155.db2.gz JOQMCQJUFBZRCN-OAHLLOKOSA-N -1 3 413.474 3.855 20 0 HHADHM COc1ccccc1NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000047321922 968138065 /nfs/dbraw/zinc/13/80/65/968138065.db2.gz GECFWPCTRCAFHH-UHFFFAOYSA-N -1 3 403.866 3.937 20 0 HHADHM CN(C)S(=O)(=O)c1ccc(C(=O)[N-]c2nc(-c3ccc(Cl)s3)cs2)o1 ZINC000047440906 968192233 /nfs/dbraw/zinc/19/22/33/968192233.db2.gz AKFZXGYCGDVANI-UHFFFAOYSA-N -1 3 417.921 3.621 20 0 HHADHM CN(C)c1ccccc1NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000047486561 968209500 /nfs/dbraw/zinc/20/95/00/968209500.db2.gz DYGUXORHPACWAU-UHFFFAOYSA-N -1 3 416.909 3.994 20 0 HHADHM COc1ccc(C(=O)N2CCC(/N=C/c3cc(Cl)ccc3[O-])CC2)c(OC)c1 ZINC000047558259 968236760 /nfs/dbraw/zinc/23/67/60/968236760.db2.gz RFXAFIYJQMDJRY-YDZHTSKRSA-N -1 3 402.878 3.787 20 0 HHADHM O=C(Nc1ccc2ccccc2n1)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000048226684 968491715 /nfs/dbraw/zinc/49/17/15/968491715.db2.gz IQFGTWJNGGFPKL-UHFFFAOYSA-N -1 3 410.430 3.755 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1OC ZINC000065770175 968635052 /nfs/dbraw/zinc/63/50/52/968635052.db2.gz HNJJPMXFQJATEL-BZUAXINKSA-N -1 3 409.552 3.937 20 0 HHADHM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)N(CC#N)C2CC2)c(Cl)cc1Cl ZINC000065894479 968703754 /nfs/dbraw/zinc/70/37/54/968703754.db2.gz AQDOBSLLVGKXFQ-LLVKDONJSA-N -1 3 418.346 3.588 20 0 HHADHM CCCCc1nc2ccc(NC(=O)c3ccccc3[N-]S(=O)(=O)CC)cc2[nH]1 ZINC000065903896 968706920 /nfs/dbraw/zinc/70/69/20/968706920.db2.gz SHKMSWHEDDCHGU-UHFFFAOYSA-N -1 3 400.504 3.919 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N[C@@H](C)c1ccccn1 ZINC000068922576 968798376 /nfs/dbraw/zinc/79/83/76/968798376.db2.gz HOBFGGODVQEQHJ-HNNXBMFYSA-N -1 3 413.474 3.821 20 0 HHADHM COc1cccc([C@@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2F)N2CCCC2)c1 ZINC000069098972 968814239 /nfs/dbraw/zinc/81/42/39/968814239.db2.gz AZWYKAOPAMSYPR-GOSISDBHSA-N -1 3 412.914 3.603 20 0 HHADHM C[C@H](CCc1ccco1)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000069569372 968839230 /nfs/dbraw/zinc/83/92/30/968839230.db2.gz WJXNFOXXGPWFQK-OAHLLOKOSA-N -1 3 416.474 3.971 20 0 HHADHM Cc1ncsc1C[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000071214142 968851965 /nfs/dbraw/zinc/85/19/65/968851965.db2.gz WVNQPIGCLKADFO-UHFFFAOYSA-N -1 3 416.149 3.999 20 0 HHADHM Cc1ccc(C(=O)C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000071836090 968869045 /nfs/dbraw/zinc/86/90/45/968869045.db2.gz HRGLPOTXPOAMFE-UHFFFAOYSA-N -1 3 408.479 3.926 20 0 HHADHM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc(-n4ncc5ccccc54)cc3)cc2o1 ZINC000538299707 1013834535 /nfs/dbraw/zinc/83/45/35/1013834535.db2.gz OONMLHIOUGLZDO-UHFFFAOYSA-N -1 3 406.423 3.673 20 0 HHADHM O=C(COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000071949413 968903937 /nfs/dbraw/zinc/90/39/37/968903937.db2.gz OETDKOUXXFLQPW-UHFFFAOYSA-N -1 3 424.766 3.725 20 0 HHADHM O=C(COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000071949413 968903948 /nfs/dbraw/zinc/90/39/48/968903948.db2.gz OETDKOUXXFLQPW-UHFFFAOYSA-N -1 3 424.766 3.725 20 0 HHADHM Cn1c(CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)nc2cc(Cl)ccc21 ZINC000071958643 968910136 /nfs/dbraw/zinc/91/01/36/968910136.db2.gz HMNBYDCZTTXDSW-UHFFFAOYSA-N -1 3 422.901 3.941 20 0 HHADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000072003793 968926431 /nfs/dbraw/zinc/92/64/31/968926431.db2.gz JCZVAMRXGNOVSA-AWEZNQCLSA-N -1 3 407.536 3.844 20 0 HHADHM O=C(NCc1cc(F)ccc1F)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000078512193 969002121 /nfs/dbraw/zinc/00/21/21/969002121.db2.gz AGMIGAYIRAMXAY-UHFFFAOYSA-N -1 3 420.412 3.835 20 0 HHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000078515311 969002720 /nfs/dbraw/zinc/00/27/20/969002720.db2.gz XSMKDONFZMYSAD-UONOGXRCSA-N -1 3 416.396 3.958 20 0 HHADHM CN1CCN(c2ccc(Cl)cc2[N-]S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000098068715 969188779 /nfs/dbraw/zinc/18/87/79/969188779.db2.gz ACVSFSKTKCUZQA-UHFFFAOYSA-N -1 3 400.331 3.546 20 0 HHADHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](C)c1nc2ccccc2n1C(F)F ZINC000104893739 969210684 /nfs/dbraw/zinc/21/06/84/969210684.db2.gz NRZNIGNIHSKRLS-CYBMUJFWSA-N -1 3 414.412 3.845 20 0 HHADHM O=c1[n-]c(SCc2nc(-c3ccsc3)no2)nc2c1cnn2-c1ccccc1 ZINC000105568158 969247393 /nfs/dbraw/zinc/24/73/93/969247393.db2.gz FVRLVTIUTMFOFV-UHFFFAOYSA-N -1 3 408.468 3.513 20 0 HHADHM COc1ccc(Br)cc1S(=O)(=O)[N-]Cc1ccccc1C(F)(F)F ZINC000107216762 969308832 /nfs/dbraw/zinc/30/88/32/969308832.db2.gz JTVXOEOTAISREI-UHFFFAOYSA-N -1 3 424.238 3.955 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccc(OC(F)(F)F)cc2)cc1OC ZINC000108548810 969393281 /nfs/dbraw/zinc/39/32/81/969393281.db2.gz CHZPIXXNRPDZIH-UHFFFAOYSA-N -1 3 418.393 3.608 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N(Cc1ccccc1)CC1CCC1 ZINC000109767546 969562051 /nfs/dbraw/zinc/56/20/51/969562051.db2.gz IGNMCEURYRZNRU-UHFFFAOYSA-N -1 3 416.525 3.902 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)Nc1nc2c(s1)CCCCCC2 ZINC000109774131 969563625 /nfs/dbraw/zinc/56/36/25/969563625.db2.gz KSZAXCTYNOHPRZ-UHFFFAOYSA-N -1 3 423.542 3.827 20 0 HHADHM CCc1ccc([O-])c(C(=O)N2CCN(Cc3ccc(Br)s3)CC2)c1 ZINC000109814146 969570900 /nfs/dbraw/zinc/57/09/00/969570900.db2.gz OSICASHOUWOFNH-UHFFFAOYSA-N -1 3 409.349 3.737 20 0 HHADHM O=c1ccc2cc(S(=O)(=O)[N-]c3ccc(-n4cnc5ccccc54)cc3)ccc2o1 ZINC000109994421 969606429 /nfs/dbraw/zinc/60/64/29/969606429.db2.gz HWAIFAGLAWRIKI-UHFFFAOYSA-N -1 3 417.446 3.933 20 0 HHADHM O=S(=O)([N-]CCCc1nc(-c2ccncc2)cs1)c1cccc(Cl)c1F ZINC000110793333 969724842 /nfs/dbraw/zinc/72/48/42/969724842.db2.gz GCVPTSDOYOEZBH-UHFFFAOYSA-N -1 3 411.911 3.909 20 0 HHADHM CCOC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000111211913 969804885 /nfs/dbraw/zinc/80/48/85/969804885.db2.gz YOYIOFYJTVBOQL-KRWDZBQOSA-N -1 3 416.326 3.587 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NC1CCC(c2ccccc2)CC1 ZINC000116346289 969887235 /nfs/dbraw/zinc/88/72/35/969887235.db2.gz UDRMCPWCPCIIOQ-UHFFFAOYSA-N -1 3 416.525 3.916 20 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HHADHM COc1ccccc1CC[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000166532116 970464821 /nfs/dbraw/zinc/46/48/21/970464821.db2.gz WXBKBUXTNRPFNU-UHFFFAOYSA-N -1 3 404.713 3.632 20 0 HHADHM O=S(=O)([N-]c1ccc(CN2CCOCC2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000195534415 970496848 /nfs/dbraw/zinc/49/68/48/970496848.db2.gz BKTIWYLNRRTLLD-UHFFFAOYSA-N -1 3 408.523 3.987 20 0 HHADHM C[C@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C(=O)N[C@H]1CCCC[C@H]1C ZINC000253619921 970568549 /nfs/dbraw/zinc/56/85/49/970568549.db2.gz BNGSYHARJUKDCM-KEYYUXOJSA-N -1 3 411.531 3.697 20 0 HHADHM O=C(Nc1ccccc1)[C@H]([N-]S(=O)(=O)c1cccc2ncccc21)c1ccccc1 ZINC000261387713 970643851 /nfs/dbraw/zinc/64/38/51/970643851.db2.gz NUIIXWGYZGCPFF-JOCHJYFZSA-N -1 3 417.490 3.893 20 0 HHADHM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000303966688 972552473 /nfs/dbraw/zinc/55/24/73/972552473.db2.gz QMHXFZZOOQAKKS-IBGZPJMESA-N -1 3 418.534 3.668 20 0 HHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1I ZINC000312303146 972630329 /nfs/dbraw/zinc/63/03/29/972630329.db2.gz UZGAVVAWBKMDON-UHFFFAOYSA-N -1 3 405.232 3.848 20 0 HHADHM O=S(=O)([N-]c1cccc(F)c1I)c1ccc(F)cc1F ZINC000312663829 972632154 /nfs/dbraw/zinc/63/21/54/972632154.db2.gz WQSIGYITOPXVAK-UHFFFAOYSA-N -1 3 413.158 3.509 20 0 HHADHM CN(C)Cc1ccccc1[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000319209447 972669679 /nfs/dbraw/zinc/66/96/79/972669679.db2.gz RFRRAZPYWDIIPE-UHFFFAOYSA-N -1 3 403.729 3.965 20 0 HHADHM C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1ccc(Br)c([O-])c1 ZINC000383110388 972789866 /nfs/dbraw/zinc/78/98/66/972789866.db2.gz NMGMEWSBIKKNTM-OAHLLOKOSA-N -1 3 403.320 3.891 20 0 HHADHM O=S(=O)([N-]Cc1ccsc1Br)c1cnc(Cl)c(Cl)c1 ZINC000388499544 972805591 /nfs/dbraw/zinc/80/55/91/972805591.db2.gz GLVAVFDOMFBLTA-UHFFFAOYSA-N -1 3 402.122 3.691 20 0 HHADHM CN(C)Cc1cccc([N-]S(=O)(=O)c2c(F)cc(F)cc2Br)c1 ZINC000390593498 972825914 /nfs/dbraw/zinc/82/59/14/972825914.db2.gz DHOKSNKWTCLPJR-UHFFFAOYSA-N -1 3 405.264 3.590 20 0 HHADHM Cc1nc(C2([N-]S(=O)(=O)c3cccc4c3OC(C)(C)C4)CCCCCC2)no1 ZINC000409554580 973010004 /nfs/dbraw/zinc/01/00/04/973010004.db2.gz GHYFOYNJJWJTBN-UHFFFAOYSA-N -1 3 405.520 3.620 20 0 HHADHM O=S(=O)([N-][C@@H]1COc2cc(F)c(Br)cc21)c1ccc(Cl)s1 ZINC000409807785 973281123 /nfs/dbraw/zinc/28/11/23/973281123.db2.gz ATSROMDBQXGPIW-SECBINFHSA-N -1 3 412.689 3.715 20 0 HHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](Cc2ccccc2)c2ccccc2)s1 ZINC000409876015 973342172 /nfs/dbraw/zinc/34/21/72/973342172.db2.gz OPSPYFCZKUASHM-QGZVFWFLSA-N -1 3 401.509 3.797 20 0 HHADHM Cc1cc(C)cc(CS(=O)(=O)[N-][C@@H](c2nc(-c3cccnc3)no2)C(C)C)c1 ZINC000410102029 973577335 /nfs/dbraw/zinc/57/73/35/973577335.db2.gz ANSAQRWERKZTHP-GOSISDBHSA-N -1 3 400.504 3.565 20 0 HHADHM O=S(=O)([N-][C@@H]1CCCC[C@H]1OC(F)F)c1ccc(Cl)cc1Br ZINC000410182333 973677355 /nfs/dbraw/zinc/67/73/55/973677355.db2.gz NDMGNVZALKKZQO-GHMZBOCLSA-N -1 3 418.687 3.931 20 0 HHADHM Cc1csc(-c2cccc(S(=O)(=O)[N-]C3(C(F)(F)F)CCOCC3)c2)n1 ZINC000410334175 973913075 /nfs/dbraw/zinc/91/30/75/973913075.db2.gz UOIGHMZIZHMKGY-UHFFFAOYSA-N -1 3 406.451 3.508 20 0 HHADHM Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000410404903 974004754 /nfs/dbraw/zinc/00/47/54/974004754.db2.gz BOQQHIHJMQFTKJ-OAQYLSRUSA-N -1 3 410.495 3.559 20 0 HHADHM O=C(NC1CC1)c1cccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2F)c1 ZINC000410418049 974015882 /nfs/dbraw/zinc/01/58/82/974015882.db2.gz MODVRQFPYMNMOP-UHFFFAOYSA-N -1 3 403.262 3.826 20 0 HHADHM O=C1Cc2cc(S(=O)(=O)[N-]c3cc(Cl)c(Cl)cc3F)cc3c2N1CCC3 ZINC000410419246 974017178 /nfs/dbraw/zinc/01/71/78/974017178.db2.gz PHVXYHZMOFWWPP-UHFFFAOYSA-N -1 3 415.273 3.769 20 0 HHADHM COC[C@@H](NC(=O)NCc1ccc([O-])c(Br)c1)c1ccc(Cl)cc1 ZINC000425953101 974057831 /nfs/dbraw/zinc/05/78/31/974057831.db2.gz RDEKRRFQOILZML-OAHLLOKOSA-N -1 3 413.699 3.995 20 0 HHADHM COC[C@H](NC(=O)NCc1ccc([O-])c(Br)c1)c1ccc(Cl)cc1 ZINC000425953097 974058336 /nfs/dbraw/zinc/05/83/36/974058336.db2.gz RDEKRRFQOILZML-HNNXBMFYSA-N -1 3 413.699 3.995 20 0 HHADHM NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC(F)F)c3ccccc32)c(F)c1 ZINC000425980508 974091131 /nfs/dbraw/zinc/09/11/31/974091131.db2.gz NUOARFUJKBNKPR-UHFFFAOYSA-N -1 3 424.400 3.523 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NCc2ccc(Cl)cc2F)cc1OC ZINC000426103128 974227479 /nfs/dbraw/zinc/22/74/79/974227479.db2.gz TVHTWGLGMBFVOK-UHFFFAOYSA-N -1 3 415.874 3.571 20 0 HHADHM COC(=O)c1ccc(-c2nc(-c3cccc(C(=O)NCc4ccc(C)cc4)c3)no2)[n-]1 ZINC000426430072 974444193 /nfs/dbraw/zinc/44/41/93/974444193.db2.gz MWRDYCPCMFEMKM-UHFFFAOYSA-N -1 3 416.437 3.757 20 0 HHADHM Cc1nsc(C)c1-c1noc(CS(=O)(=O)[N-]c2ccc(OC(C)C)cc2)n1 ZINC000426617738 974566025 /nfs/dbraw/zinc/56/60/25/974566025.db2.gz BBRBLNWLYXAPAQ-UHFFFAOYSA-N -1 3 408.505 3.539 20 0 HHADHM COc1cc(Br)c(CNC[C@H](Cc2ccc(C)cc2)C(=O)[O-])c(OC)c1 ZINC000426641075 974578142 /nfs/dbraw/zinc/57/81/42/974578142.db2.gz XSADMCVABDAZFX-HNNXBMFYSA-N -1 3 422.319 3.808 20 0 HHADHM CC(C)(C)[C@H](CNCc1ncc(Br)cc1Br)CC(=O)[O-] ZINC000426674679 974594487 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/nfs/dbraw/zinc/68/26/54/974682654.db2.gz QMMJDBQGWNSIFT-OAHLLOKOSA-N -1 3 424.291 3.781 20 0 HHADHM CCOc1cc(CN[C@H](C(=O)[O-])c2cccc(F)c2)cc(Br)c1OC ZINC000426824141 974689546 /nfs/dbraw/zinc/68/95/46/974689546.db2.gz GRKJMASFFXSQGV-INIZCTEOSA-N -1 3 412.255 3.911 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1[C@H](C)C[C@@H](c2ccccc2)[C@H]1C ZINC000426954984 974776432 /nfs/dbraw/zinc/77/64/32/974776432.db2.gz PINSUUXEOBRSPU-RADWXHQJSA-N -1 3 416.525 3.866 20 0 HHADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c21 ZINC000427141283 974935953 /nfs/dbraw/zinc/93/59/53/974935953.db2.gz AMKAIIURYGLLDU-UHFFFAOYSA-N -1 3 421.388 3.668 20 0 HHADHM CC[S@](=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000427263259 975012381 /nfs/dbraw/zinc/01/23/81/975012381.db2.gz RPEJEQGSYFEDNQ-FLXNLOQFSA-N -1 3 417.902 3.717 20 0 HHADHM CCOC(=O)c1cc(COC)cc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)c1 ZINC000427293489 975030920 /nfs/dbraw/zinc/03/09/20/975030920.db2.gz BVCHGEZYJDLRJD-UHFFFAOYSA-N -1 3 419.833 3.742 20 0 HHADHM CCC1(CNC(=O)c2cc(S(=O)(=O)[N-]c3ccc(OC)cc3)ccc2C)CC1 ZINC000427321108 975050962 /nfs/dbraw/zinc/05/09/62/975050962.db2.gz PBXGYUFAMBFYRQ-UHFFFAOYSA-N -1 3 402.516 3.724 20 0 HHADHM O=S(=O)([N-][C@H]1CCO[C@]2(CCSC2)C1)c1ccc(Cl)cc1C(F)(F)F ZINC000427774471 975281307 /nfs/dbraw/zinc/28/13/07/975281307.db2.gz ABWWCSKDEQBIEG-SMDDNHRTSA-N -1 3 415.886 3.692 20 0 HHADHM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1ccc(Br)cn1)c1ccco1 ZINC000427791782 975291173 /nfs/dbraw/zinc/29/11/73/975291173.db2.gz XVXCWPNWQUZMJA-QGZVFWFLSA-N -1 3 423.288 3.514 20 0 HHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2Cl)cnc1C ZINC000427800935 975297203 /nfs/dbraw/zinc/29/72/03/975297203.db2.gz RQWJEKJWPWMYFU-UHFFFAOYSA-N -1 3 409.678 3.938 20 0 HHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCc3c(Br)cc(C)cc3C2)c1 ZINC000428054098 975408046 /nfs/dbraw/zinc/40/80/46/975408046.db2.gz AOISNAWLZSFFAR-UHFFFAOYSA-N -1 3 403.276 3.620 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H]3[C@@H]4CCC[C@@H]43)ccc2C)cc1 ZINC000428078727 975422147 /nfs/dbraw/zinc/42/21/47/975422147.db2.gz IVXUPJXIUMSVTR-CEQLMSFQSA-N -1 3 414.527 3.723 20 0 HHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CSc3ccc(Br)cc32)c1 ZINC000428200157 975525345 /nfs/dbraw/zinc/52/53/45/975525345.db2.gz BHNXULCEAQTXJR-AWEZNQCLSA-N -1 3 407.289 3.690 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCn3c(cc4ccccc43)C2)c1 ZINC000428694455 975984598 /nfs/dbraw/zinc/98/45/98/975984598.db2.gz SRDFFWIRXSXRNK-UHFFFAOYSA-N -1 3 416.437 3.552 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)C1(c2cccc(F)c2)CCOCC1 ZINC000428855238 976145479 /nfs/dbraw/zinc/14/54/79/976145479.db2.gz CLTCKFYMGHVLGY-UHFFFAOYSA-N -1 3 408.267 3.658 20 0 HHADHM CC1(C)Cc2cccc(OCC(=O)NCc3ccc([O-])c(Br)c3)c2O1 ZINC000428872446 976163257 /nfs/dbraw/zinc/16/32/57/976163257.db2.gz NJRKYYSADWODGP-UHFFFAOYSA-N -1 3 406.276 3.563 20 0 HHADHM Cn1ncc2c1ncc(C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCCO1)c2[O-] ZINC000428879239 976170060 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FZMYAPPULSFAOS-UNMCSNQZSA-N -1 3 410.514 3.527 20 0 HHADHM CCOC(=O)C1CCN(C(=O)c2ccc(NC(=O)c3ccc(C)c(C)c3[O-])cc2)CC1 ZINC000436526111 981418969 /nfs/dbraw/zinc/41/89/69/981418969.db2.gz DMMANPDRJZLCMH-UHFFFAOYSA-N -1 3 424.497 3.677 20 0 HHADHM Cc1noc2ncc(NC(=O)C[C@H](NC(=O)c3ccc([O-])cc3)c3ccccc3)cc12 ZINC000436527586 981420384 /nfs/dbraw/zinc/42/03/84/981420384.db2.gz UHRWCOBOXKMUNC-FQEVSTJZSA-N -1 3 416.437 3.737 20 0 HHADHM CC(C)c1nnc(CNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)s1 ZINC000436529369 981421825 /nfs/dbraw/zinc/42/18/25/981421825.db2.gz QYPOYPCPAULQHW-GOSISDBHSA-N -1 3 424.526 3.545 20 0 HHADHM COc1ccc(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c([O-])c1 ZINC000436529028 981421881 /nfs/dbraw/zinc/42/18/81/981421881.db2.gz ZALRVCQWHHOXEH-UHFFFAOYSA-N -1 3 416.783 3.784 20 0 HHADHM CC1(C)[C@H](NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)[C@H]2CCCO[C@H]21 ZINC000436531182 981423600 /nfs/dbraw/zinc/42/36/00/981423600.db2.gz VRYMYRJWQMIPDX-IRMYBRCSSA-N -1 3 422.525 3.573 20 0 HHADHM CC(C)(C)C(=O)NC[C@H]1CCCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000436549352 981435500 /nfs/dbraw/zinc/43/55/00/981435500.db2.gz WJLYUVUDARPARZ-HXUWFJFHSA-N -1 3 408.542 3.998 20 0 HHADHM COC1CCC(CNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC1 ZINC000436553133 981438612 /nfs/dbraw/zinc/43/86/12/981438612.db2.gz BPMQKJVDBVCNQQ-IVXJCAOYSA-N -1 3 410.514 3.575 20 0 HHADHM O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436554440 981439504 /nfs/dbraw/zinc/43/95/04/981439504.db2.gz HXQGFDIJDZPJTH-UHFFFAOYSA-N -1 3 416.477 3.708 20 0 HHADHM C[C@H](CNc1ccccc1)NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436555371 981440965 /nfs/dbraw/zinc/44/09/65/981440965.db2.gz IHUZSBJJZUWVLY-WZONZLPQSA-N -1 3 417.509 3.870 20 0 HHADHM Cc1cnc([C@@H](C)NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)s1 ZINC000436557163 981442459 /nfs/dbraw/zinc/44/24/59/981442459.db2.gz QSBRVQYNGRFORJ-BEFAXECRSA-N -1 3 409.511 3.896 20 0 HHADHM Cc1cnc([C@H](C)NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)s1 ZINC000436557166 981442505 /nfs/dbraw/zinc/44/25/05/981442505.db2.gz QSBRVQYNGRFORJ-KXBFYZLASA-N -1 3 409.511 3.896 20 0 HHADHM CC(C)CO[C@@H]1CCN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000436558167 981443078 /nfs/dbraw/zinc/44/30/78/981443078.db2.gz UJKCLWAOBYTCTC-YADHBBJMSA-N -1 3 410.514 3.527 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H](C(F)(F)F)[C@H]2C)c1 ZINC000436560935 981444542 /nfs/dbraw/zinc/44/45/42/981444542.db2.gz DMVRCHLPUMOIJX-BMIGLBTASA-N -1 3 411.380 3.744 20 0 HHADHM C[C@@H](NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(Cl)c(Cl)c1 ZINC000436561861 981445408 /nfs/dbraw/zinc/44/54/08/981445408.db2.gz DAHFAPPHFJDZCT-CYBMUJFWSA-N -1 3 422.312 3.928 20 0 HHADHM CCO[C@@H]1C[C@H](O)C12CCN(C(=O)c1cc(CCc3ccccc3)ccc1[O-])CC2 ZINC000436564906 981447828 /nfs/dbraw/zinc/44/78/28/981447828.db2.gz PZEMSYQXXYCLCG-XZOQPEGZSA-N -1 3 409.526 3.570 20 0 HHADHM COc1cc(F)cc(CNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC000436565069 981447968 /nfs/dbraw/zinc/44/79/68/981447968.db2.gz MEJLWTQTQTZYHA-JOCHJYFZSA-N -1 3 422.456 3.718 20 0 HHADHM O=C(Nc1c(F)cc(Cl)cc1F)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436567994 981450082 /nfs/dbraw/zinc/45/00/82/981450082.db2.gz ZNLDQGIOLHLDOH-UHFFFAOYSA-N -1 3 409.820 3.750 20 0 HHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCCN(Cc2cscn2)CC1 ZINC000436572630 981451891 /nfs/dbraw/zinc/45/18/91/981451891.db2.gz ZXJHPFQSMQAZCG-UHFFFAOYSA-N -1 3 409.511 3.989 20 0 HHADHM Cc1ccc([C@@H](NC(=O)c2ccc(C)cc2[O-])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000436574757 981454012 /nfs/dbraw/zinc/45/40/12/981454012.db2.gz MJQPTKGOPWAFAS-JOCHJYFZSA-N -1 3 409.507 3.932 20 0 HHADHM Cc1noc(C)c1CN1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000436581007 981458059 /nfs/dbraw/zinc/45/80/59/981458059.db2.gz HULSJQIXFAOHIQ-UHFFFAOYSA-N -1 3 405.498 3.546 20 0 HHADHM Cc1ccc(C(=O)N2CCN(Cc3ccc(Br)c(F)c3)CC2)c([O-])c1 ZINC000436594878 981465142 /nfs/dbraw/zinc/46/51/42/981465142.db2.gz HBFKVWYBHWKHPS-UHFFFAOYSA-N -1 3 407.283 3.560 20 0 HHADHM O=C(Nc1ccc(CN2C(=O)CCC2=O)cc1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436595332 981465626 /nfs/dbraw/zinc/46/56/26/981465626.db2.gz LVPXVWVCQOELIJ-UHFFFAOYSA-N -1 3 414.461 3.884 20 0 HHADHM COC(=O)c1cccc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC000436604843 981470302 /nfs/dbraw/zinc/47/03/02/981470302.db2.gz OYNFKUDUHKYJIO-NRFANRHFSA-N -1 3 418.449 3.679 20 0 HHADHM Cc1cc(Br)ccc1NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436606265 981471090 /nfs/dbraw/zinc/47/10/90/981471090.db2.gz RBHNPJPZGCTBOQ-MRXNPFEDSA-N -1 3 403.276 3.706 20 0 HHADHM COc1ccccc1N1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000436610838 981473511 /nfs/dbraw/zinc/47/35/11/981473511.db2.gz KFZVPNDGZAJKSE-UHFFFAOYSA-N -1 3 402.494 3.954 20 0 HHADHM O=C(NCc1cc(Cl)ccc1OC(F)F)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436616307 981476662 /nfs/dbraw/zinc/47/66/62/981476662.db2.gz DRCWSZHIFRJWMB-OAHLLOKOSA-N -1 3 424.831 3.568 20 0 HHADHM Cc1cc(Oc2ncccn2)ccc1NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436618277 981477409 /nfs/dbraw/zinc/47/74/09/981477409.db2.gz KQRHUWMKNKCVIM-LJQANCHMSA-N -1 3 418.453 3.526 20 0 HHADHM Cc1cc(C)c2nc(C3CC3)cc(C(=O)Nc3cc4c(cc3[O-])n(C)c(=O)n4C)c2c1 ZINC000436619050 981477713 /nfs/dbraw/zinc/47/77/13/981477713.db2.gz NTWKCNDVCAEUIK-UHFFFAOYSA-N -1 3 416.481 3.877 20 0 HHADHM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436622464 981479650 /nfs/dbraw/zinc/47/96/50/981479650.db2.gz DELUXUDDOGHHGX-PKOBYXMFSA-N -1 3 400.906 3.788 20 0 HHADHM CCOc1ncccc1NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436623703 981480254 /nfs/dbraw/zinc/48/02/54/981480254.db2.gz IVNSMJIHHWLGQJ-HXUWFJFHSA-N -1 3 405.454 3.686 20 0 HHADHM COCCn1cc2c(n1)[C@@H](NC(=O)c1cc(Cc3ccccc3)ccc1[O-])CCC2 ZINC000436624766 981480935 /nfs/dbraw/zinc/48/09/35/981480935.db2.gz ANHSJVJFTAYHKT-NRFANRHFSA-N -1 3 405.498 3.633 20 0 HHADHM COc1ccc(C2(C(=O)NC3CCN(C(=O)c4ccccc4[O-])CC3)CCCC2)cc1 ZINC000436634055 981485024 /nfs/dbraw/zinc/48/50/24/981485024.db2.gz NDDKRHWIWQKBBV-UHFFFAOYSA-N -1 3 422.525 3.634 20 0 HHADHM CN(C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])c1cccc(OC(F)(F)F)c1 ZINC000436637675 981487116 /nfs/dbraw/zinc/48/71/16/981487116.db2.gz XZYQIMRFYJJCOX-INIZCTEOSA-N -1 3 408.376 3.558 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)N[C@@H](C)c2ccc(-c3cccnc3)cc2)c([O-])c1 ZINC000436637913 981487852 /nfs/dbraw/zinc/48/78/52/981487852.db2.gz BENBIPVXFXLJPH-KRWDZBQOSA-N -1 3 403.482 3.760 20 0 HHADHM Cc1cc(C)c(C)c(OCCC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000436640798 981488925 /nfs/dbraw/zinc/48/89/25/981488925.db2.gz JXCDXAKREJDPPM-UHFFFAOYSA-N -1 3 410.514 3.507 20 0 HHADHM CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2ccc(C(C)C)cc2[O-])s1 ZINC000436643843 981490355 /nfs/dbraw/zinc/49/03/55/981490355.db2.gz YXLPYINGGLUWHY-UHFFFAOYSA-N -1 3 410.561 3.538 20 0 HHADHM O=C(NCCCCOc1ccc(Cl)cc1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436654005 981493409 /nfs/dbraw/zinc/49/34/09/981493409.db2.gz HNQPYXSSYDEDLK-LJQANCHMSA-N -1 3 416.905 3.626 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCC2(c3ccccc3C)CC2)c1 ZINC000436667859 981500529 /nfs/dbraw/zinc/50/05/29/981500529.db2.gz ZXDIUEHAMCVXNK-UHFFFAOYSA-N -1 3 405.454 3.711 20 0 HHADHM O=C(NC[C@@H]1CCCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1)c1ccco1 ZINC000436668169 981501273 /nfs/dbraw/zinc/50/12/73/981501273.db2.gz WODZVQZHZYXSLO-FQEVSTJZSA-N -1 3 418.493 3.858 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)c2ccc(F)cc2F)c1 ZINC000436670145 981502479 /nfs/dbraw/zinc/50/24/79/981502479.db2.gz DHDRIHNMMSXUKZ-JTQLQIEISA-N -1 3 401.369 3.710 20 0 HHADHM COc1ccc([C@H]2CCCN2C(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])cc1 ZINC000436671693 981504099 /nfs/dbraw/zinc/50/40/99/981504099.db2.gz BGQQOWKQTYYIME-HXUWFJFHSA-N -1 3 421.453 3.927 20 0 HHADHM CSCc1ccc(CNC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])cc1 ZINC000436672761 981504801 /nfs/dbraw/zinc/50/48/01/981504801.db2.gz CHZSYTANIQDZLA-UHFFFAOYSA-N -1 3 411.483 3.734 20 0 HHADHM CCS[C@H]1CCCC[C@@H]1NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000436678575 981507475 /nfs/dbraw/zinc/50/74/75/981507475.db2.gz CQMCLRYAWFSEAQ-WMZOPIPTSA-N -1 3 403.504 3.735 20 0 HHADHM O=C(NCCNC(=O)c1ccc([O-])cc1)c1sc(C2CC2)nc1-c1ccccc1 ZINC000436681357 981509036 /nfs/dbraw/zinc/50/90/36/981509036.db2.gz MWZHIEPUIQMFTN-UHFFFAOYSA-N -1 3 407.495 3.553 20 0 HHADHM O=C(c1ccccc1[O-])N1CCN(Cc2nc3cc(C(F)(F)F)ccc3o2)CC1 ZINC000436682646 981510433 /nfs/dbraw/zinc/51/04/33/981510433.db2.gz WPIXZSWMOPDBAK-UHFFFAOYSA-N -1 3 405.376 3.510 20 0 HHADHM Cc1ccc(-c2noc(CN3CCN(C(=O)c4ccc(C(C)C)cc4[O-])CC3)n2)cc1 ZINC000436690031 981513740 /nfs/dbraw/zinc/51/37/40/981513740.db2.gz PZCFGFWDSUCFJX-UHFFFAOYSA-N -1 3 420.513 3.832 20 0 HHADHM Cc1ccc(C(=O)NCCc2nc(-c3cc(F)ccc3C(F)(F)F)no2)c([O-])c1 ZINC000436690298 981514592 /nfs/dbraw/zinc/51/45/92/981514592.db2.gz QCZOZPPMGNAJHX-UHFFFAOYSA-N -1 3 409.339 3.881 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1cnc(CC2CC2)nc1 ZINC000436701934 981520640 /nfs/dbraw/zinc/52/06/40/981520640.db2.gz CDMLHKCBXPGQTH-NRFANRHFSA-N -1 3 416.481 3.635 20 0 HHADHM C[C@H]1CN(C(=O)c2cc3c(cc2[O-])OCO3)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000436707811 981522895 /nfs/dbraw/zinc/52/28/95/981522895.db2.gz HHUZBUPYUSFYML-BBATYDOGSA-N -1 3 409.360 3.742 20 0 HHADHM C[C@@H]1CN(C(=O)c2cc3c(cc2[O-])OCO3)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000436707814 981523438 /nfs/dbraw/zinc/52/34/38/981523438.db2.gz HHUZBUPYUSFYML-ZMZPIMSZSA-N -1 3 409.360 3.742 20 0 HHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2C[C@H](C)O[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000436710368 981524197 /nfs/dbraw/zinc/52/41/97/981524197.db2.gz SPASASVKANSPOV-HXPMCKFVSA-N -1 3 422.403 3.972 20 0 HHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2C[C@@H](C)O[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000436710367 981524243 /nfs/dbraw/zinc/52/42/43/981524243.db2.gz SPASASVKANSPOV-CWTRNNRKSA-N -1 3 422.403 3.972 20 0 HHADHM O=C(Cc1ccccc1)N1CCc2ccc(NC(=O)c3cc4c(cc3[O-])OCO4)cc21 ZINC000436710646 981524924 /nfs/dbraw/zinc/52/49/24/981524924.db2.gz XAMLIMVFFANQGK-UHFFFAOYSA-N -1 3 416.433 3.505 20 0 HHADHM Cc1noc(C)c1C(C)(C)NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436711404 981524995 /nfs/dbraw/zinc/52/49/95/981524995.db2.gz HPIXTHCXRVWIGW-FQEVSTJZSA-N -1 3 421.497 3.910 20 0 HHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCc3c(Br)cccc3[C@H]2C)c1 ZINC000436718272 981528774 /nfs/dbraw/zinc/52/87/74/981528774.db2.gz ZFFJXLHGDCSRFW-LLVKDONJSA-N -1 3 403.276 3.873 20 0 HHADHM Cc1c2ccccc2oc1[C@H](C)NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436724247 981532400 /nfs/dbraw/zinc/53/24/00/981532400.db2.gz RURMBFNUWQWKIY-INIZCTEOSA-N -1 3 407.470 3.675 20 0 HHADHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1ccccc1Oc1cccc(F)c1 ZINC000436726702 981534256 /nfs/dbraw/zinc/53/42/56/981534256.db2.gz VUIUJTNUWGSPHR-UHFFFAOYSA-N -1 3 409.417 3.875 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCCSc2ccc(C)cc2)c1 ZINC000436730266 981535336 /nfs/dbraw/zinc/53/53/36/981535336.db2.gz WDMPFASHQZDYGZ-UHFFFAOYSA-N -1 3 411.483 3.771 20 0 HHADHM [O-]c1ccccc1-c1nc(CSc2ncnc3c2cnn3Cc2ccccc2)no1 ZINC000436729638 981535534 /nfs/dbraw/zinc/53/55/34/981535534.db2.gz HORPDJQOQUEHHO-UHFFFAOYSA-N -1 3 416.466 3.923 20 0 HHADHM Cc1nc2sc3c(c2c(N2CCN(C(=O)c4ccccc4[O-])CC2)n1)CC[C@H](C)C3 ZINC000436740849 981540116 /nfs/dbraw/zinc/54/01/16/981540116.db2.gz RPLUECZEUTYFML-AWEZNQCLSA-N -1 3 422.554 3.793 20 0 HHADHM O=C(N[C@@H]1CCCOc2c(Cl)cccc21)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436740115 981540230 /nfs/dbraw/zinc/54/02/30/981540230.db2.gz PSJJAAOUYMHEKW-QZTJIDSGSA-N -1 3 414.889 3.680 20 0 HHADHM CC(C)(C)Oc1ccccc1NC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436751191 981545191 /nfs/dbraw/zinc/54/51/91/981545191.db2.gz QNDUSUQXLQTPPX-UHFFFAOYSA-N -1 3 411.502 3.996 20 0 HHADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)c2ccc3c(c2)oc2ccccc23)CC1 ZINC000436752450 981546165 /nfs/dbraw/zinc/54/61/65/981546165.db2.gz RLGCZYBOQDTIHH-UHFFFAOYSA-N -1 3 400.434 3.890 20 0 HHADHM C[C@H]1Oc2ccc(NC(=O)c3cc(OCc4ccccc4)ccc3[O-])cc2NC1=O ZINC000436756891 981548229 /nfs/dbraw/zinc/54/82/29/981548229.db2.gz RKUPYIGJAKOZTB-CQSZACIVSA-N -1 3 404.422 3.943 20 0 HHADHM O=C(Nc1nccs1)[C@H]1CCCN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436758214 981548784 /nfs/dbraw/zinc/54/87/84/981548784.db2.gz MJNJCEGOYDSFSY-GOSISDBHSA-N -1 3 407.495 3.683 20 0 HHADHM COc1cc(NC(=O)c2ccc(C)c(C)c2[O-])c(C(=O)N2CCCCC2)cc1OC ZINC000436759973 981549756 /nfs/dbraw/zinc/54/97/56/981549756.db2.gz JOCFKZWULGBLGC-UHFFFAOYSA-N -1 3 412.486 3.905 20 0 HHADHM C[C@H](C(=O)Nc1cccc(NC(=O)c2cc3c(cc2[O-])CCCC3)c1)n1cccn1 ZINC000436761342 981550297 /nfs/dbraw/zinc/55/02/97/981550297.db2.gz YFMYRNCVRUKXDE-OAHLLOKOSA-N -1 3 404.470 3.920 20 0 HHADHM C[C@@H](C(=O)Nc1cccc(NC(=O)c2cc3c(cc2[O-])CCCC3)c1)n1cccn1 ZINC000436761341 981550363 /nfs/dbraw/zinc/55/03/63/981550363.db2.gz YFMYRNCVRUKXDE-HNNXBMFYSA-N -1 3 404.470 3.920 20 0 HHADHM Cc1cc(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)ccc1C(F)(F)F ZINC000436767707 981553320 /nfs/dbraw/zinc/55/33/20/981553320.db2.gz HIQYTYRIBRAEPD-UHFFFAOYSA-N -1 3 407.392 3.709 20 0 HHADHM Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436773517 981555571 /nfs/dbraw/zinc/55/55/71/981555571.db2.gz PMYJRYMNGXTMKC-GOSISDBHSA-N -1 3 410.514 3.576 20 0 HHADHM Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436773518 981555636 /nfs/dbraw/zinc/55/56/36/981555636.db2.gz PMYJRYMNGXTMKC-SFHVURJKSA-N -1 3 410.514 3.576 20 0 HHADHM [O-]c1ccccc1-c1nc(CSc2nnc([C@@H]3COc4ccccc4O3)o2)no1 ZINC000436776312 981556532 /nfs/dbraw/zinc/55/65/32/981556532.db2.gz IQARBPPJEPQDDG-HNNXBMFYSA-N -1 3 410.411 3.630 20 0 HHADHM CCOc1ccc(Oc2cc(CNC(=O)c3cc(NC(C)=O)ccc3[O-])ccn2)cc1 ZINC000436783141 981559503 /nfs/dbraw/zinc/55/95/03/981559503.db2.gz KTEBKVGIWOSUEJ-UHFFFAOYSA-N -1 3 421.453 3.867 20 0 HHADHM C[C@H](Cc1ccccc1)n1cccc1C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436786204 981560591 /nfs/dbraw/zinc/56/05/91/981560591.db2.gz HVVCTOIQDCUDQT-LJQANCHMSA-N -1 3 417.509 3.596 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCOC[C@H](C2CCC2)C1 ZINC000436789122 981562057 /nfs/dbraw/zinc/56/20/57/981562057.db2.gz CLKLVLDOTYXOID-FYYLOGMGSA-N -1 3 422.525 3.529 20 0 HHADHM CCc1ccc(C(=O)N2CCN([C@H](C)c3nc(-c4ccc(C)cc4)no3)CC2)c([O-])c1 ZINC000436795955 981565746 /nfs/dbraw/zinc/56/57/46/981565746.db2.gz HEYBIUXZOZKCOU-QGZVFWFLSA-N -1 3 420.513 3.832 20 0 HHADHM COCCOc1c(Cl)cc(NC(=O)c2cc3c(cc2[O-])OCO3)cc1Cl ZINC000436797778 981567068 /nfs/dbraw/zinc/56/70/68/981567068.db2.gz IAWFKGQNTOTVLC-UHFFFAOYSA-N -1 3 400.214 3.705 20 0 HHADHM O=C(NCc1ccc(-c2ccco2)cc1F)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436797337 981567166 /nfs/dbraw/zinc/56/71/66/981567166.db2.gz MRIQAVPAHCQTFU-IBGZPJMESA-N -1 3 408.429 3.712 20 0 HHADHM CC(C)[C@H](NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccc(F)cc1F ZINC000436798757 981567551 /nfs/dbraw/zinc/56/75/51/981567551.db2.gz MUSQTYSWJALYBS-FQEVSTJZSA-N -1 3 417.456 3.535 20 0 HHADHM CC(C)(C)[C@@H]1CN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCO1 ZINC000436806279 981570239 /nfs/dbraw/zinc/57/02/39/981570239.db2.gz UNGQNODZXFVTDW-SFTDATJTSA-N -1 3 410.514 3.527 20 0 HHADHM CCc1ccc(C(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)c([O-])c1 ZINC000436822030 981576601 /nfs/dbraw/zinc/57/66/01/981576601.db2.gz ZMFDFWXHCFBTSH-UHFFFAOYSA-N -1 3 407.297 3.860 20 0 HHADHM CCc1ccc(C(=O)N2CCC[C@H]3CN(C(=O)c4ccc(CC)cc4O)C[C@H]32)c([O-])c1 ZINC000436831530 981580796 /nfs/dbraw/zinc/58/07/96/981580796.db2.gz GVPQQUUXTYNPQL-GHTZIAJQSA-N -1 3 422.525 3.599 20 0 HHADHM CCc1ccc(C(=O)N2C[C@@H]3CCCN(C(=O)c4ccc(CC)cc4O)[C@@H]3C2)c([O-])c1 ZINC000436831530 981580798 /nfs/dbraw/zinc/58/07/98/981580798.db2.gz GVPQQUUXTYNPQL-GHTZIAJQSA-N -1 3 422.525 3.599 20 0 HHADHM CC(=O)N1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC12CCCCC2 ZINC000436837597 981583584 /nfs/dbraw/zinc/58/35/84/981583584.db2.gz KJPSPMUVBLXTNN-UHFFFAOYSA-N -1 3 406.526 3.990 20 0 HHADHM Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1NC(=O)C(C)(C)C ZINC000436848281 981588917 /nfs/dbraw/zinc/58/89/17/981588917.db2.gz OARMUZMPDQUJKQ-LJQANCHMSA-N -1 3 423.513 3.929 20 0 HHADHM CSC[C@@H]1CCCN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000436852029 981591440 /nfs/dbraw/zinc/59/14/40/981591440.db2.gz HIBJGEXKNCOUPZ-DYESRHJHSA-N -1 3 412.555 3.855 20 0 HHADHM CSC[C@H]1CCCN(C(=O)Cc2csc(NC(=O)c3cc(C)ccc3[O-])n2)C1 ZINC000436855002 981593007 /nfs/dbraw/zinc/59/30/07/981593007.db2.gz VWDUSLHAHNJMAC-AWEZNQCLSA-N -1 3 419.572 3.554 20 0 HHADHM O=C(c1ccccc1[O-])N1CCN(C(=O)[C@H]2C[C@@H]2c2cccc3ccccc32)CC1 ZINC000436860098 981595655 /nfs/dbraw/zinc/59/56/55/981595655.db2.gz DMFMUCBQIXWDDS-YADHBBJMSA-N -1 3 400.478 3.634 20 0 HHADHM COc1cc(Cl)c(NC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1C ZINC000436861698 981596133 /nfs/dbraw/zinc/59/61/33/981596133.db2.gz UWZJWVZQRJUTSU-UHFFFAOYSA-N -1 3 417.893 3.789 20 0 HHADHM CC[C@@H](Cc1ccccc1Br)NC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000436863574 981596386 /nfs/dbraw/zinc/59/63/86/981596386.db2.gz JIRKNXSNLIQIFY-AWEZNQCLSA-N -1 3 408.292 3.923 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)N2CCC(c3c[nH]c4cc(F)ccc43)CC2)c([O-])c1 ZINC000436862724 981596445 /nfs/dbraw/zinc/59/64/45/981596445.db2.gz HWJCQNJYCUTOPR-UHFFFAOYSA-N -1 3 423.488 3.847 20 0 HHADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)c2ccccc2OC2CCCCC2)CC1 ZINC000436869430 981597667 /nfs/dbraw/zinc/59/76/67/981597667.db2.gz AJHDWLVLJFSZFL-UHFFFAOYSA-N -1 3 408.498 3.702 20 0 HHADHM C[C@H](C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(Cl)c(Cl)c1 ZINC000436879839 981600063 /nfs/dbraw/zinc/60/00/63/981600063.db2.gz LAVJSEIUBIMWGX-ZDUSSCGKSA-N -1 3 407.297 3.787 20 0 HHADHM CC[C@H](C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1cccc(C(F)(F)F)c1 ZINC000436885579 981601391 /nfs/dbraw/zinc/60/13/91/981601391.db2.gz KPXDGUVTUDHACZ-KRWDZBQOSA-N -1 3 420.431 3.889 20 0 HHADHM C[C@H]1CCC[C@@H](OCCCCCC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)C1 ZINC000436888064 981602184 /nfs/dbraw/zinc/60/21/84/981602184.db2.gz SPOZYVIVAOUDHP-VQTJNVASSA-N -1 3 416.562 3.832 20 0 HHADHM O=C(N[C@H]1CC=C(c2ccc(F)cc2)CC1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436890442 981603111 /nfs/dbraw/zinc/60/31/11/981603111.db2.gz UDDBOFIEVBMTPT-FPOVZHCZSA-N -1 3 408.473 3.888 20 0 HHADHM O=C(N[C@@H](CC1CCC1)c1ccccc1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436894723 981604423 /nfs/dbraw/zinc/60/44/23/981604423.db2.gz RTJLNICCLOWROE-QFIPXVFZSA-N -1 3 407.514 3.791 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1cccc2c1CCO2 ZINC000436899447 981606518 /nfs/dbraw/zinc/60/65/18/981606518.db2.gz DECORGWDDUXOHO-OAQYLSRUSA-N -1 3 402.450 3.827 20 0 HHADHM [O-]c1cc2c(cc1-c1nc(Cc3ccc(OCc4ccccn4)cc3)no1)OCO2 ZINC000436900998 981607180 /nfs/dbraw/zinc/60/71/80/981607180.db2.gz KPPHSMNIGNEEEX-UHFFFAOYSA-N -1 3 403.394 3.736 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCCc1cccc(F)c1 ZINC000436902608 981608424 /nfs/dbraw/zinc/60/84/24/981608424.db2.gz KDUZDZHWUCUIBL-QFIPXVFZSA-N -1 3 406.457 3.751 20 0 HHADHM COc1ccccc1CN(C)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436903710 981609389 /nfs/dbraw/zinc/60/93/89/981609389.db2.gz NVXWFRAQYLHVHA-JOCHJYFZSA-N -1 3 418.493 3.921 20 0 HHADHM CCCCOc1ccc(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c(Cl)c1 ZINC000436904244 981610032 /nfs/dbraw/zinc/61/00/32/981610032.db2.gz YGRFRPDWZIYLPD-UHFFFAOYSA-N -1 3 416.905 3.823 20 0 HHADHM COc1ccc(CNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cc1 ZINC000436905817 981611989 /nfs/dbraw/zinc/61/19/89/981611989.db2.gz VAEIMMHBTJKGJT-JOCHJYFZSA-N -1 3 404.466 3.578 20 0 HHADHM C/C(=C/c1ccccc1OC(F)F)CN1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436907462 981613279 /nfs/dbraw/zinc/61/32/79/981613279.db2.gz GJMAOVYKLZEHGT-PEZBUJJGSA-N -1 3 402.441 3.855 20 0 HHADHM C/C(=C\c1ccccc1OC(F)F)CN1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436907461 981613324 /nfs/dbraw/zinc/61/33/24/981613324.db2.gz GJMAOVYKLZEHGT-JQIJEIRASA-N -1 3 402.441 3.855 20 0 HHADHM O=S(=O)(NC1CC1)c1ccc(-c2noc(-c3cc4ccccc4cc3[O-])n2)cc1 ZINC000436908252 981613735 /nfs/dbraw/zinc/61/37/35/981613735.db2.gz UYWFNVNSIKSELT-UHFFFAOYSA-N -1 3 407.451 3.703 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1ccc2c[nH]nc2c1 ZINC000436914110 981619987 /nfs/dbraw/zinc/61/99/87/981619987.db2.gz KNMJDWYRHVDKKW-FQEVSTJZSA-N -1 3 400.438 3.768 20 0 HHADHM COc1ccc([O-])c(-c2nc(Cc3cc4c(cc3Br)OCO4)no2)c1 ZINC000436921883 981625172 /nfs/dbraw/zinc/62/51/72/981625172.db2.gz VUPWXROQIXUEOS-UHFFFAOYSA-N -1 3 405.204 3.533 20 0 HHADHM O=C(Nc1ccc(Oc2cccnc2)cc1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436921019 981625228 /nfs/dbraw/zinc/62/52/28/981625228.db2.gz BMEVYHJUIXGIMM-FQEVSTJZSA-N -1 3 403.438 3.823 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NC[C@H]1COc2ccccc21 ZINC000436926749 981628517 /nfs/dbraw/zinc/62/85/17/981628517.db2.gz MVCHIARATUQYPH-UGKGYDQZSA-N -1 3 416.477 3.546 20 0 HHADHM Cc1ncsc1CN(C)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436929367 981629466 /nfs/dbraw/zinc/62/94/66/981629466.db2.gz VFQAEZCLOJBJCY-IBGZPJMESA-N -1 3 409.511 3.677 20 0 HHADHM O=C(N[C@H](CO)c1ccc(Br)cc1C(F)(F)F)c1ccccc1[O-] ZINC000436930923 981630287 /nfs/dbraw/zinc/63/02/87/981630287.db2.gz ICMVYHNADAIDFP-CYBMUJFWSA-N -1 3 404.182 3.637 20 0 HHADHM O=C(Nc1cccc(N2CN=NC2=O)c1)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436935217 981633195 /nfs/dbraw/zinc/63/31/95/981633195.db2.gz VWMVUJSELKXFDV-UHFFFAOYSA-N -1 3 402.410 3.510 20 0 HHADHM CCCCn1nccc1NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436936467 981634161 /nfs/dbraw/zinc/63/41/61/981634161.db2.gz YTGQXYLUXHIASY-HXUWFJFHSA-N -1 3 406.486 3.889 20 0 HHADHM O=C(NC1CCCCC1)c1ccc(NS(=O)(=O)CCc2cccs2)cc1[O-] ZINC000436937621 981634800 /nfs/dbraw/zinc/63/48/00/981634800.db2.gz GNPQHKSSWRTWRV-UHFFFAOYSA-N -1 3 408.545 3.501 20 0 HHADHM COC(=O)c1ccc(C(F)(F)F)nc1SCc1noc(-c2ccccc2[O-])n1 ZINC000436940171 981635477 /nfs/dbraw/zinc/63/54/77/981635477.db2.gz UNTFWMSXICKHEY-UHFFFAOYSA-N -1 3 411.361 3.935 20 0 HHADHM CC(C)Oc1ccc(Cl)cc1C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436942412 981636158 /nfs/dbraw/zinc/63/61/58/981636158.db2.gz HBORBPIHQUKMLY-UHFFFAOYSA-N -1 3 416.905 3.867 20 0 HHADHM O=C(CCCCC(=O)c1ccccc1)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436945717 981637763 /nfs/dbraw/zinc/63/77/63/981637763.db2.gz PXZBSZVPNDOAJX-UHFFFAOYSA-N -1 3 408.498 3.556 20 0 HHADHM COc1ccccc1CN(C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-])C1CC1 ZINC000436950556 981640583 /nfs/dbraw/zinc/64/05/83/981640583.db2.gz PBOOPDYIRDJGDB-UHFFFAOYSA-N -1 3 421.453 3.754 20 0 HHADHM CC(C)(CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])c1ccc(F)cc1Cl ZINC000436953323 981643010 /nfs/dbraw/zinc/64/30/10/981643010.db2.gz OHVRRLOXSNRQIM-GOSISDBHSA-N -1 3 418.896 3.883 20 0 HHADHM CCCS(=O)(=O)Nc1cccc(NC(=O)c2ccc3c(c2[O-])CCCC3)c1C ZINC000436954530 981644224 /nfs/dbraw/zinc/64/42/24/981644224.db2.gz WTGWOSJPLUXCLR-UHFFFAOYSA-N -1 3 402.516 3.983 20 0 HHADHM Cc1ccc(C(=O)NCCC(=O)NCC[C@H](c2ccccc2)C(F)(F)F)c([O-])c1 ZINC000436957403 981646549 /nfs/dbraw/zinc/64/65/49/981646549.db2.gz XNYCOSBNFZWIGG-QGZVFWFLSA-N -1 3 408.420 3.673 20 0 HHADHM O=C(C[C@H](c1cccs1)n1cccc1)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436967089 981653528 /nfs/dbraw/zinc/65/35/28/981653528.db2.gz XBQUPIZSAZFAKM-LJQANCHMSA-N -1 3 423.538 3.656 20 0 HHADHM O=C(Nc1nc2c(ccc(F)c2F)s1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436968235 981654501 /nfs/dbraw/zinc/65/45/01/981654501.db2.gz ZGSGEYTVQJVPOH-GFCCVEGCSA-N -1 3 403.410 3.523 20 0 HHADHM COc1cccc(C(=O)Nc2ccc(CC(=O)N3CCc4ccccc43)cc2)c1[O-] ZINC000436967681 981654596 /nfs/dbraw/zinc/65/45/96/981654596.db2.gz YCURYIHLIAMSLK-UHFFFAOYSA-N -1 3 402.450 3.785 20 0 HHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NCCCSCC(C)C)cs2)c1 ZINC000436977575 981661954 /nfs/dbraw/zinc/66/19/54/981661954.db2.gz FDQUDORRUXWODU-UHFFFAOYSA-N -1 3 421.588 3.847 20 0 HHADHM CC[C@H](CSC)N(C)C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000436976876 981662065 /nfs/dbraw/zinc/66/20/65/981662065.db2.gz CNFAUZDLYGMYON-CQSZACIVSA-N -1 3 407.561 3.552 20 0 HHADHM C[C@@H](CNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1nccs1 ZINC000436982731 981666111 /nfs/dbraw/zinc/66/61/11/981666111.db2.gz HQGXOMVSVDVJLE-HNAYVOBHSA-N -1 3 409.511 3.630 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCCC[C@H]1CCCCO1 ZINC000436984125 981666804 /nfs/dbraw/zinc/66/68/04/981666804.db2.gz YSVVMSIAZBJINI-FGZHOGPDSA-N -1 3 410.514 3.719 20 0 HHADHM CCO[C@H](CCNC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1)C(C)C ZINC000436987259 981669561 /nfs/dbraw/zinc/66/95/61/981669561.db2.gz IPOHIVDWINVAQF-GOSISDBHSA-N -1 3 419.547 3.519 20 0 HHADHM CCCCOc1ccc(C(=O)N(C)[C@@H]2CCN(c3ccccc3F)C2=O)c([O-])c1 ZINC000436989100 981670835 /nfs/dbraw/zinc/67/08/35/981670835.db2.gz NJEZHXJHMCGEME-LJQANCHMSA-N -1 3 400.450 3.588 20 0 HHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3C[C@H](C)Oc4ccccc43)cs2)c1 ZINC000436989693 981671057 /nfs/dbraw/zinc/67/10/57/981671057.db2.gz OVNAQMWWTKLRFW-AWEZNQCLSA-N -1 3 423.494 3.766 20 0 HHADHM Cc1nc(-c2ccccc2NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cs1 ZINC000436997975 981676029 /nfs/dbraw/zinc/67/60/29/981676029.db2.gz GUHAEAZBUAWMDT-UHFFFAOYSA-N -1 3 422.510 3.814 20 0 HHADHM O=C(N[C@@H]1C[C@H]1c1cccc2ccccc21)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436997489 981676057 /nfs/dbraw/zinc/67/60/57/981676057.db2.gz GFELLWJDVAXGMJ-BHDDXSALSA-N -1 3 400.478 3.822 20 0 HHADHM O=C(c1cc2c(cc1[O-])OCO2)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000437003811 981679732 /nfs/dbraw/zinc/67/97/32/981679732.db2.gz SNGAXTIQQHZNHE-ZDUSSCGKSA-N -1 3 404.260 3.588 20 0 HHADHM O=C(c1cc2c(cc1[O-])OCO2)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000437003809 981679878 /nfs/dbraw/zinc/67/98/78/981679878.db2.gz SNGAXTIQQHZNHE-CYBMUJFWSA-N -1 3 404.260 3.588 20 0 HHADHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)Nc1ccc2cc[nH]c2c1 ZINC000448519444 981846623 /nfs/dbraw/zinc/84/66/23/981846623.db2.gz JPVZIJKNYXSXML-UHFFFAOYSA-N -1 3 400.394 3.726 20 0 HHADHM O=S(=O)([N-]CCc1nc(C(F)(F)F)cs1)c1cc(Cl)ccc1Cl ZINC000437326180 981977200 /nfs/dbraw/zinc/97/72/00/981977200.db2.gz SPFWBQOUZULDRH-UHFFFAOYSA-N -1 3 405.250 3.990 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000437419856 982061121 /nfs/dbraw/zinc/06/11/21/982061121.db2.gz QLNIZXHRKUFVIE-UAPYVXQJSA-N -1 3 422.916 3.789 20 0 HHADHM COC(=O)c1cc(Br)cc(S(=O)(=O)[N-]c2ccsc2Cl)c1 ZINC000437664530 982280782 /nfs/dbraw/zinc/28/07/82/982280782.db2.gz DPGZKRPRORLKDR-UHFFFAOYSA-N -1 3 410.698 3.751 20 0 HHADHM O=C(NCCc1c[nH]c2cccc(Br)c12)NCc1ccc([O-])c(F)c1 ZINC000460517057 982304863 /nfs/dbraw/zinc/30/48/63/982304863.db2.gz FCZNBSWBXYPQOE-UHFFFAOYSA-N -1 3 406.255 3.817 20 0 HHADHM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)CC(C)(C)Cc1ccc(Cl)cc1 ZINC000438002977 982518109 /nfs/dbraw/zinc/51/81/09/982518109.db2.gz MVTLGUOQMLCJPB-UHFFFAOYSA-N -1 3 400.910 3.980 20 0 HHADHM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(F)c(-n3nnnc3C3CC3)c2)c1C ZINC000460837162 982586352 /nfs/dbraw/zinc/58/63/52/982586352.db2.gz CHPMQHVEBGNVSA-UHFFFAOYSA-N -1 3 415.494 3.713 20 0 HHADHM CC1(C)CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)[C@H]1C1CC1 ZINC000460965640 982695684 /nfs/dbraw/zinc/69/56/84/982695684.db2.gz SXQHJJLRFPLLLX-IBGZPJMESA-N -1 3 402.491 3.887 20 0 HHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(NC(=O)c4cccs4)cc3)nc21 ZINC000438351486 982739173 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CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@@H](C)CSCc2ccccc2)cc1OC ZINC000438552770 982892806 /nfs/dbraw/zinc/89/28/06/982892806.db2.gz JBZNTKBHLUTCTM-HNNXBMFYSA-N -1 3 422.572 3.965 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000461194990 982911433 /nfs/dbraw/zinc/91/14/33/982911433.db2.gz NFMXTQVTRDCVFK-UTKZUKDTSA-N -1 3 416.525 3.725 20 0 HHADHM Cc1nc(C)c(CCC(=O)NCC2(c3cccc(C(F)(F)F)c3)CCC2)c(=O)[n-]1 ZINC000461211071 982924665 /nfs/dbraw/zinc/92/46/65/982924665.db2.gz LHWPDMQFBUMGJT-UHFFFAOYSA-N -1 3 407.436 3.989 20 0 HHADHM CC(C)c1cnc(NC(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)s1 ZINC000461270422 982975773 /nfs/dbraw/zinc/97/57/73/982975773.db2.gz PILSIBOWDXLKHK-UHFFFAOYSA-N -1 3 422.359 3.880 20 0 HHADHM CC(C)c1cnc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)s1 ZINC000461275832 982978912 /nfs/dbraw/zinc/97/89/12/982978912.db2.gz IVGQFYHXUOBDFP-UHFFFAOYSA-N -1 3 408.480 3.787 20 0 HHADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2csc(CCc3ccccc3)n2)CC1 ZINC000438695097 983007808 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422.888 3.730 20 0 HHADHM C[C@H](c1ccncc1)N1CCC([N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000438956366 983177529 /nfs/dbraw/zinc/17/75/29/983177529.db2.gz HCNLRKWQOKPNPI-CYBMUJFWSA-N -1 3 414.358 3.892 20 0 HHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@@H](C1CCCC1)C(F)(F)F ZINC000439017071 983211915 /nfs/dbraw/zinc/21/19/15/983211915.db2.gz DFVZIACABGMAII-KRWDZBQOSA-N -1 3 408.424 3.723 20 0 HHADHM CN(C)c1ccccc1CNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000439053972 983230056 /nfs/dbraw/zinc/23/00/56/983230056.db2.gz GCSJIYNNVVSKRJ-QFIPXVFZSA-N -1 3 417.509 3.636 20 0 HHADHM O=C(N[C@H]1COc2c1ccc(Cl)c2Cl)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000439057930 983231870 /nfs/dbraw/zinc/23/18/70/983231870.db2.gz LUFHOICOQVZSPB-LSDHHAIUSA-N -1 3 421.280 3.554 20 0 HHADHM CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2ccc([O-])c(Cl)c2)CC1 ZINC000439059276 983232245 /nfs/dbraw/zinc/23/22/45/983232245.db2.gz NAMBMLATUOIMRY-CQSZACIVSA-N -1 3 405.901 3.818 20 0 HHADHM Cn1c2cc([O-])c(NC(=O)[C@@H]3C[C@@H]3c3ccc(Cl)c(Cl)c3)cc2n(C)c1=O ZINC000461615427 983240762 /nfs/dbraw/zinc/24/07/62/983240762.db2.gz ARTHNEYTWKQLEL-GHMZBOCLSA-N -1 3 406.269 3.632 20 0 HHADHM COc1ccc(-c2cc(C(=O)Nc3cc4c(cc3[O-])n(C)c(=O)n4C)sc2C)cc1 ZINC000461623548 983246066 /nfs/dbraw/zinc/24/60/66/983246066.db2.gz KLJBAHDVYWBBLE-UHFFFAOYSA-N -1 3 423.494 3.880 20 0 HHADHM Cn1c2cc([O-])c(NC(=O)C(C)(C)c3cccc(C(F)(F)F)c3)cc2n(C)c1=O ZINC000461629360 983250296 /nfs/dbraw/zinc/25/02/96/983250296.db2.gz FQWILVOUTJRBFH-UHFFFAOYSA-N -1 3 407.392 3.518 20 0 HHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(-c2nc([C@H]3CCC(F)(F)C3)no2)ccc1F ZINC000439577757 983458027 /nfs/dbraw/zinc/45/80/27/983458027.db2.gz WEYOIQBGFLBZTL-NSHDSACASA-N -1 3 403.426 3.855 20 0 HHADHM COC(=O)c1ccc(C(=O)[N-]c2cc(Br)cc(C(=O)OC)c2Cl)o1 ZINC000440161285 983665321 /nfs/dbraw/zinc/66/53/21/983665321.db2.gz UATPMRORHPEZPU-UHFFFAOYSA-N -1 3 416.611 3.521 20 0 HHADHM O=c1[n-]nc(SCc2csc(CCc3ccccc3)n2)n1C[C@H]1CCCO1 ZINC000440219517 983686797 /nfs/dbraw/zinc/68/67/97/983686797.db2.gz VNKBVKAEDQANJZ-MRXNPFEDSA-N -1 3 402.545 3.697 20 0 HHADHM CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000440252461 983697999 /nfs/dbraw/zinc/69/79/99/983697999.db2.gz TXMVLIWSBCASDV-KKSFZXQISA-N -1 3 414.525 3.677 20 0 HHADHM CCN(CC)C(=O)Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)cc1 ZINC000440298582 983710608 /nfs/dbraw/zinc/71/06/08/983710608.db2.gz ZESWOVIROGQWLW-UHFFFAOYSA-N -1 3 416.543 3.612 20 0 HHADHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)Nc1ncc(C(C)(C)C)s1 ZINC000440347111 983729828 /nfs/dbraw/zinc/72/98/28/983729828.db2.gz UUNZGIDAEINHSK-UHFFFAOYSA-N -1 3 424.482 3.999 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]C(C)(C)c2nc(C(F)(F)F)cs2)c(F)cc1F ZINC000440414328 983749135 /nfs/dbraw/zinc/74/91/35/983749135.db2.gz KHZSNUMEPFMPGB-UHFFFAOYSA-N -1 3 400.394 3.962 20 0 HHADHM Cc1nc(CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)sc1C ZINC000440557184 983795537 /nfs/dbraw/zinc/79/55/37/983795537.db2.gz USNJMZVUQNVJJL-UHFFFAOYSA-N -1 3 419.503 3.630 20 0 HHADHM C[C@@H](Sc1nncn1C)C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000440944552 983992572 /nfs/dbraw/zinc/99/25/72/983992572.db2.gz WSBOSBORBKDFOZ-LLVKDONJSA-N -1 3 411.512 3.917 20 0 HHADHM CN(CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)Cc1nc(=O)n(C)[n-]1 ZINC000440954555 983995749 /nfs/dbraw/zinc/99/57/49/983995749.db2.gz FCDBYFLFWXUCHM-GOSISDBHSA-N -1 3 420.435 3.769 20 0 HHADHM CC(C)C[C@H](C(=O)Nc1ccc([O-])c(C(F)(F)F)c1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000440987303 984012856 /nfs/dbraw/zinc/01/28/56/984012856.db2.gz HFUHBDCJRXSTJI-OFQRWUPVSA-N -1 3 424.419 3.715 20 0 HHADHM CC(C)C[C@H](C(=O)Nc1ccc([O-])c(C(F)(F)F)c1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000440987296 984013014 /nfs/dbraw/zinc/01/30/14/984013014.db2.gz HFUHBDCJRXSTJI-IIAWOOMASA-N -1 3 424.419 3.715 20 0 HHADHM O=C(Cn1cnc2c3ccccc3oc2c1=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000440994585 984015813 /nfs/dbraw/zinc/01/58/13/984015813.db2.gz UTNBYVZYFBEZAY-UHFFFAOYSA-N -1 3 403.316 3.506 20 0 HHADHM CCC[C@H]1[C@@H](C)CCCN1C(=O)C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000441355272 984204175 /nfs/dbraw/zinc/20/41/75/984204175.db2.gz GGGRCBGNVWBEHO-KXBFYZLASA-N -1 3 410.518 3.777 20 0 HHADHM COC[C@@H](C)[C@@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000461772919 984773382 /nfs/dbraw/zinc/77/33/82/984773382.db2.gz DDODVHBNRHICHO-HUUCEWRRSA-N -1 3 408.495 3.792 20 0 HHADHM COc1ccc(-c2nc([N-]C(=O)c3sc(C(F)(F)F)nc3C)n[nH]2)c(OC)c1 ZINC000461998807 984979435 /nfs/dbraw/zinc/97/94/35/984979435.db2.gz XSSUCBDXCBFWJP-UHFFFAOYSA-N -1 3 413.381 3.525 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N3C[C@@H](C)[C@@H]3c3ccccc3)c2)n1 ZINC000442565554 985055656 /nfs/dbraw/zinc/05/56/56/985055656.db2.gz ILGXKMVIQPCPJY-QVKFZJNVSA-N -1 3 416.481 3.570 20 0 HHADHM C[C@@H]1COCC[C@H]1c1noc(-c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)n1 ZINC000442683115 985154355 /nfs/dbraw/zinc/15/43/55/985154355.db2.gz VDMVZIDAQPVAFR-CZUORRHYSA-N -1 3 417.462 3.817 20 0 HHADHM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)c1ccccn1 ZINC000442736073 985193956 /nfs/dbraw/zinc/19/39/56/985193956.db2.gz KHXBBZAAZPDTHC-GOSISDBHSA-N -1 3 423.416 3.572 20 0 HHADHM C[C@H]1OCC[C@@H]1S(=O)(=O)[N-]C1(c2noc(C3CCCCC3)n2)CCCCCC1 ZINC000442751382 985203056 /nfs/dbraw/zinc/20/30/56/985203056.db2.gz KOVYMGAEKBERTJ-WBVHZDCISA-N -1 3 411.568 3.764 20 0 HHADHM O=S(=O)([N-][C@@H]1COc2c1ccc(Cl)c2Cl)c1cnccc1C(F)(F)F ZINC000442758850 985206240 /nfs/dbraw/zinc/20/62/40/985206240.db2.gz JVVSXYWJJHYQHI-SNVBAGLBSA-N -1 3 413.204 3.819 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cn4ccnc4s3)cc2)cc1 ZINC000442903677 985271367 /nfs/dbraw/zinc/27/13/67/985271367.db2.gz YRQJGXMGQAUGGO-UHFFFAOYSA-N -1 3 412.496 3.757 20 0 HHADHM CC(C)C[C@H](NS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1cccs1 ZINC000442916831 985278679 /nfs/dbraw/zinc/27/86/79/985278679.db2.gz DODPGPGSLIKKOH-AWEZNQCLSA-N -1 3 411.940 3.647 20 0 HHADHM CC(C)C[C@H](NS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)c1cccs1 ZINC000442916831 985278688 /nfs/dbraw/zinc/27/86/88/985278688.db2.gz DODPGPGSLIKKOH-AWEZNQCLSA-N -1 3 411.940 3.647 20 0 HHADHM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2c(C)cc(Br)cc2C)o1 ZINC000462317473 985305666 /nfs/dbraw/zinc/30/56/66/985305666.db2.gz UKOBUPVGEPSNPK-OAHLLOKOSA-N -1 3 416.337 3.887 20 0 HHADHM Cc1nccn1CCCC[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000462326160 985315620 /nfs/dbraw/zinc/31/56/20/985315620.db2.gz RAOZJHZDTHJNHT-UHFFFAOYSA-N -1 3 410.952 3.727 20 0 HHADHM CC[C@](C)([N-]S(=O)(=O)c1cc(Br)ccc1F)c1nc(C)cs1 ZINC000462326652 985316027 /nfs/dbraw/zinc/31/60/27/985316027.db2.gz LTCNODNQMHOVIH-AWEZNQCLSA-N -1 3 407.330 3.957 20 0 HHADHM CSc1ccccc1[C@H](C)NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000442981485 985315915 /nfs/dbraw/zinc/31/59/15/985315915.db2.gz UUNNHCCEYGZNHE-AWEZNQCLSA-N -1 3 408.527 3.672 20 0 HHADHM Cc1c2ccccc2oc1[C@H](C)NS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000442983225 985317928 /nfs/dbraw/zinc/31/79/28/985317928.db2.gz MHHGIDPGLZKQRU-NSHDSACASA-N -1 3 417.878 3.614 20 0 HHADHM Cc1c2ccccc2oc1[C@H](C)NS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000442983225 985317939 /nfs/dbraw/zinc/31/79/39/985317939.db2.gz MHHGIDPGLZKQRU-NSHDSACASA-N -1 3 417.878 3.614 20 0 HHADHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2Cl)C12CCC2 ZINC000462329101 985318964 /nfs/dbraw/zinc/31/89/64/985318964.db2.gz VBMSMWQGBDLFQU-KBPBESRZSA-N -1 3 408.745 3.729 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@H]2CCCO[C@H]2C(C)(C)C)s1 ZINC000462331890 985322309 /nfs/dbraw/zinc/32/23/09/985322309.db2.gz DONFJSLAZVEFCK-DGCLKSJQSA-N -1 3 410.399 3.939 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H]1CCc2cc(F)ccc21 ZINC000443006789 985331692 /nfs/dbraw/zinc/33/16/92/985331692.db2.gz JOEDLWPPAGOJLP-OAHLLOKOSA-N -1 3 405.472 3.793 20 0 HHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1ccc(OC(C)C)cc1 ZINC000443018510 985338995 /nfs/dbraw/zinc/33/89/95/985338995.db2.gz CYIBYEKJVKHLDB-ZDUSSCGKSA-N -1 3 411.907 3.953 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]CCc1ccc(Cl)s1 ZINC000443024644 985341820 /nfs/dbraw/zinc/34/18/20/985341820.db2.gz ZSWLAGRXYJZSNF-UHFFFAOYSA-N -1 3 415.945 3.924 20 0 HHADHM CCc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3c[nH]c4cccc(F)c43)n2)cc1 ZINC000443030038 985344915 /nfs/dbraw/zinc/34/49/15/985344915.db2.gz YDJMPCCLNJUBNK-LBPRGKRZSA-N -1 3 414.462 3.959 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCCCF)ccc2C)cc1 ZINC000462364196 985351468 /nfs/dbraw/zinc/35/14/68/985351468.db2.gz GXEGMABKOGILNY-UHFFFAOYSA-N -1 3 408.495 3.674 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H]1CCCOc2ccccc21 ZINC000443052122 985353936 /nfs/dbraw/zinc/35/39/36/985353936.db2.gz SCMLWSQOPOKBMU-HNNXBMFYSA-N -1 3 417.508 3.880 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C1(c2ccc(F)cc2)CC1 ZINC000443067644 985359424 /nfs/dbraw/zinc/35/94/24/985359424.db2.gz FPNZGJWSDWUHFI-UHFFFAOYSA-N -1 3 405.472 3.795 20 0 HHADHM CCOc1ccc(C[N-]S(=O)(=O)c2c3ccccc3sc2C(=O)OC)cc1F ZINC000443070404 985360861 /nfs/dbraw/zinc/36/08/61/985360861.db2.gz OSZZIILFGXUZDL-UHFFFAOYSA-N -1 3 423.487 3.704 20 0 HHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H](C)c1oc2ccc(OC)cc2c1C ZINC000443073383 985362624 /nfs/dbraw/zinc/36/26/24/985362624.db2.gz FXMISPONPYKULF-GFCCVEGCSA-N -1 3 421.446 3.715 20 0 HHADHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2cccc3c2CN([C@@H](C)C(C)C)C3)c1 ZINC000462382084 985364947 /nfs/dbraw/zinc/36/49/47/985364947.db2.gz VWWQBDHMVXSUTP-AWEZNQCLSA-N -1 3 420.506 3.773 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](C)c1oc2ccc(OC)cc2c1C ZINC000443080768 985365859 /nfs/dbraw/zinc/36/58/59/985365859.db2.gz VDMKFOVJIDASMY-GFCCVEGCSA-N -1 3 421.446 3.715 20 0 HHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](c1ccco1)c1ccccc1 ZINC000443086839 985368184 /nfs/dbraw/zinc/36/81/84/985368184.db2.gz HPSGXYRUQHBYTF-SFHVURJKSA-N -1 3 405.859 3.788 20 0 HHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000443092943 985371134 /nfs/dbraw/zinc/37/11/34/985371134.db2.gz HPCUXNHAPYJOTR-JTQLQIEISA-N -1 3 419.833 3.768 20 0 HHADHM CCOC(=O)[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1ccccc1 ZINC000462397741 985376610 /nfs/dbraw/zinc/37/66/10/985376610.db2.gz RNMYEQDOCAKRFI-CYBMUJFWSA-N -1 3 402.299 3.619 20 0 HHADHM CCOC(=O)[C@H](C[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl)c1ccccc1 ZINC000462411990 985386723 /nfs/dbraw/zinc/38/67/23/985386723.db2.gz WQIDYHCGMCLUPD-CQSZACIVSA-N -1 3 416.326 3.927 20 0 HHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H](c2nc(C)cs2)C2CC2)cc1Cl ZINC000462422229 985394505 /nfs/dbraw/zinc/39/45/05/985394505.db2.gz SBCUUIHSQNNYSU-OAHLLOKOSA-N -1 3 417.915 3.632 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C(C2CC2)C2CC2)c(Br)c1 ZINC000462459731 985420766 /nfs/dbraw/zinc/42/07/66/985420766.db2.gz OAPPDFFFCAOEAM-UHFFFAOYSA-N -1 3 423.170 3.987 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2nc3ccccc3s2)s1 ZINC000462474050 985431609 /nfs/dbraw/zinc/43/16/09/985431609.db2.gz QLNZKCQDEWMBLE-UHFFFAOYSA-N -1 3 403.348 3.907 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2ccccc2)c(Br)c1 ZINC000462475519 985432384 /nfs/dbraw/zinc/43/23/84/985432384.db2.gz PTZTXWGVFJEZJW-UHFFFAOYSA-N -1 3 419.138 3.999 20 0 HHADHM CC1(C)[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2Cl)[C@H]2CCCO[C@@H]21 ZINC000462493787 985447186 /nfs/dbraw/zinc/44/71/86/985447186.db2.gz VRCMPOUEANQDTO-HONMWMINSA-N -1 3 408.745 3.584 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@H](c2ccc(C)cc2)N(C)C)s1 ZINC000462537935 985485258 /nfs/dbraw/zinc/48/52/58/985485258.db2.gz QEPMKXVONZZISD-HNNXBMFYSA-N -1 3 417.394 3.709 20 0 HHADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@H](C)[C@@H]2c2ccccc2)cc1 ZINC000462572915 985520282 /nfs/dbraw/zinc/52/02/82/985520282.db2.gz ODJIALAHQDRCCK-OXJNMPFZSA-N -1 3 422.572 3.610 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)c1cc(COc2ccccc2F)on1 ZINC000467927655 985561684 /nfs/dbraw/zinc/56/16/84/985561684.db2.gz QGGMLQKTCGHIBD-UHFFFAOYSA-N -1 3 421.222 3.791 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H](C)COCc2ccccc2)s1 ZINC000462623271 985565935 /nfs/dbraw/zinc/56/59/35/985565935.db2.gz YNMKBKCGBFBPSG-LLVKDONJSA-N -1 3 404.351 3.703 20 0 HHADHM O=c1[n-]c(=O)n(Cc2nc3cc(Cl)ccc3n2Cc2ccccc2)cc1Cl ZINC000443410430 985567171 /nfs/dbraw/zinc/56/71/71/985567171.db2.gz ZZKQMEHRQQFKEC-UHFFFAOYSA-N -1 3 401.253 3.702 20 0 HHADHM COc1ccccc1-c1noc([C@@H](C)[N-]S(=O)(=O)c2ccc(C)c3ncccc23)n1 ZINC000462666705 985605550 /nfs/dbraw/zinc/60/55/50/985605550.db2.gz XBTPGOFPOLJTMH-CQSZACIVSA-N -1 3 424.482 3.641 20 0 HHADHM O=S(=O)([N-][C@@H]1CCO[C@H](c2ccccc2)C1)c1ccc(Br)s1 ZINC000462676460 985614577 /nfs/dbraw/zinc/61/45/77/985614577.db2.gz JZTUOMFPDDLHNM-OLZOCXBDSA-N -1 3 402.335 3.709 20 0 HHADHM Cc1cc(Cl)c([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)cc1Cl ZINC000443466554 985641244 /nfs/dbraw/zinc/64/12/44/985641244.db2.gz JAFYGMQJRFKOSV-UHFFFAOYSA-N -1 3 412.291 3.645 20 0 HHADHM O=c1cc(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)c2ccccc2[nH]1 ZINC000443467915 985642540 /nfs/dbraw/zinc/64/25/40/985642540.db2.gz UDZHGCFQGAMXLW-UHFFFAOYSA-N -1 3 400.353 3.577 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](c1ccc(F)cc1F)C(C)C ZINC000443497621 985670746 /nfs/dbraw/zinc/67/07/46/985670746.db2.gz DQQRJEZWGHRCJM-KRWDZBQOSA-N -1 3 401.406 3.566 20 0 HHADHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)C[C@H](C)O)c2)cc1 ZINC000462775819 985711657 /nfs/dbraw/zinc/71/16/57/985711657.db2.gz IPJJSDYTEUVFMW-KRWDZBQOSA-N -1 3 418.559 3.591 20 0 HHADHM COC1(C)CCN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)CC1 ZINC000462780150 985715371 /nfs/dbraw/zinc/71/53/71/985715371.db2.gz UYTTXWPMZLZHHZ-UHFFFAOYSA-N -1 3 413.699 3.585 20 0 HHADHM COc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)c(O)c1 ZINC000443571226 985745589 /nfs/dbraw/zinc/74/55/89/985745589.db2.gz YNNPXHIMVYNMNP-UHFFFAOYSA-N -1 3 416.430 3.593 20 0 HHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)N3CCCCO3)ccc2C)c(C)c1 ZINC000443615774 985793658 /nfs/dbraw/zinc/79/36/58/985793658.db2.gz OWJVZHKBRXCMQK-UHFFFAOYSA-N -1 3 402.516 3.889 20 0 HHADHM CC(C)c1nccn1CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000468234249 985931633 /nfs/dbraw/zinc/93/16/33/985931633.db2.gz LZOSGBNPAKULPV-UHFFFAOYSA-N -1 3 412.515 3.836 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000463017945 985974915 /nfs/dbraw/zinc/97/49/15/985974915.db2.gz AYCQMDWYFKLSHN-QAPCUYQASA-N -1 3 405.292 3.874 20 0 HHADHM O=S(=O)([N-][C@@H](c1nc[nH]n1)c1cccc(C(F)(F)F)c1)c1ccc(Cl)s1 ZINC000468425222 986123739 /nfs/dbraw/zinc/12/37/39/986123739.db2.gz HVPOWVPATTWTDF-GFCCVEGCSA-N -1 3 422.841 3.606 20 0 HHADHM Cc1cccc(-n2cc(C(=O)[N-]c3n[nH]c(-c4cc(Cl)ccc4Cl)n3)nn2)c1 ZINC000463158124 986129698 /nfs/dbraw/zinc/12/96/98/986129698.db2.gz CGYGCFJBRDRRTB-UHFFFAOYSA-N -1 3 414.256 3.920 20 0 HHADHM O=C([N-]c1nc2ccc(F)cn2n1)c1cc(Br)sc1Br ZINC000443924675 986129896 /nfs/dbraw/zinc/12/98/96/986129896.db2.gz RXMWNCAJKOMNDB-UHFFFAOYSA-N -1 3 420.061 3.707 20 0 HHADHM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2C)C(F)(F)F ZINC000443928517 986136172 /nfs/dbraw/zinc/13/61/72/986136172.db2.gz MRDBOLSIZBCJLU-QLJPJBMISA-N -1 3 400.422 3.685 20 0 HHADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H](CC(F)(F)F)c1ccccc1C ZINC000443961069 986168552 /nfs/dbraw/zinc/16/85/52/986168552.db2.gz FBFXMOUCJRKFHW-LBPRGKRZSA-N -1 3 407.435 3.815 20 0 HHADHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@H](CC(F)(F)F)c1ccccc1C ZINC000443986994 986188821 /nfs/dbraw/zinc/18/88/21/986188821.db2.gz GWCZWSCEXNASEC-CYBMUJFWSA-N -1 3 419.421 3.909 20 0 HHADHM Cc1c(CN2CCSCC2)cccc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC000444035056 986232294 /nfs/dbraw/zinc/23/22/94/986232294.db2.gz WTYTVYHRXSKBPN-HNNXBMFYSA-N -1 3 418.584 3.668 20 0 HHADHM Cc1nc(C)c(CC(=O)N[C@H]2CCCc3sc(-c4ccc(F)cc4)nc32)c(=O)[n-]1 ZINC000468559655 986264916 /nfs/dbraw/zinc/26/49/16/986264916.db2.gz JPFUKFQQAOADTN-INIZCTEOSA-N -1 3 412.490 3.798 20 0 HHADHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(OCc3ccccc3F)cc2)c1 ZINC000468662261 986371846 /nfs/dbraw/zinc/37/18/46/986371846.db2.gz YANFXOLTSFCAJX-UHFFFAOYSA-N -1 3 408.429 3.999 20 0 HHADHM O=S(=O)([N-]C[C@@]1(O)CCC[C@@H](C(F)(F)F)C1)c1cc(Cl)ccc1Cl ZINC000444215848 986399060 /nfs/dbraw/zinc/39/90/60/986399060.db2.gz BMXPZXISABXXQL-NOZJJQNGSA-N -1 3 406.253 3.755 20 0 HHADHM O=S(=O)([N-]CC1CCN(CC(F)(F)F)CC1)c1c(Cl)cccc1Cl ZINC000444225078 986412361 /nfs/dbraw/zinc/41/23/61/986412361.db2.gz PHQMJPLTBPGNSF-UHFFFAOYSA-N -1 3 405.269 3.546 20 0 HHADHM Cc1oc(-c2ccccc2)c(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c1C ZINC000444236112 986426015 /nfs/dbraw/zinc/42/60/15/986426015.db2.gz ZKDZJTJDCJGOCR-UHFFFAOYSA-N -1 3 404.466 3.867 20 0 HHADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CC=C(C(F)(F)F)CC1 ZINC000444332973 986511499 /nfs/dbraw/zinc/51/14/99/986511499.db2.gz VVAOANXXFKSWFX-UHFFFAOYSA-N -1 3 401.182 3.625 20 0 HHADHM O=C(c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)N1CCC(c2ccncc2)CC1 ZINC000444402832 986583369 /nfs/dbraw/zinc/58/33/69/986583369.db2.gz FSNMNERQVZUGCB-UHFFFAOYSA-N -1 3 417.387 3.842 20 0 HHADHM O=C([N-]c1ncn(Cc2cccc(Br)c2)n1)c1ccoc1C(F)(F)F ZINC000463608359 986585364 /nfs/dbraw/zinc/58/53/64/986585364.db2.gz FAENBQQAHYVCTA-UHFFFAOYSA-N -1 3 415.169 3.953 20 0 HHADHM Cc1ccc(-c2nnc([N-]C(=O)c3cn(Cc4cccc(F)c4)nn3)s2)c(C)c1 ZINC000468895683 986602495 /nfs/dbraw/zinc/60/24/95/986602495.db2.gz JDOFERZCQMTDIJ-UHFFFAOYSA-N -1 3 408.462 3.853 20 0 HHADHM CC(C)(C)c1nc(CN2CCN(C(=O)CCCc3ccc([O-])c(F)c3)CC2)cs1 ZINC000468944190 986648432 /nfs/dbraw/zinc/64/84/32/986648432.db2.gz KALCTZPYBPRWLV-UHFFFAOYSA-N -1 3 419.566 3.952 20 0 HHADHM COc1cccc(C)c1NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000444466440 986649322 /nfs/dbraw/zinc/64/93/22/986649322.db2.gz NGYRCWSUQMRASC-UHFFFAOYSA-N -1 3 417.314 3.618 20 0 HHADHM Cc1ccc(NC(=O)c2cncc(O)c2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000468962925 986665996 /nfs/dbraw/zinc/66/59/96/986665996.db2.gz OIKZCQYJCOCOHI-UHFFFAOYSA-N -1 3 417.874 3.802 20 0 HHADHM C[C@@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000468970120 986674373 /nfs/dbraw/zinc/67/43/73/986674373.db2.gz NWZFNFDHASWWEL-IBGZPJMESA-N -1 3 414.521 3.604 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)Nc1ccc(OC(C)C)cc1Cl ZINC000444515871 986707977 /nfs/dbraw/zinc/70/79/77/986707977.db2.gz ZNGBNOMSMGNYPE-UHFFFAOYSA-N -1 3 412.877 3.762 20 0 HHADHM CC[C@H](C)[C@@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)C(F)(F)F ZINC000444536088 986725637 /nfs/dbraw/zinc/72/56/37/986725637.db2.gz XUNIJXMWZIHYFU-ZUZCIYMTSA-N -1 3 421.416 3.661 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)C[C@H]3CC[C@@H](C)C3)c2)cc1 ZINC000469019211 986726861 /nfs/dbraw/zinc/72/68/61/986726861.db2.gz SEHYUKMRIMKHPB-SJORKVTESA-N -1 3 416.543 3.939 20 0 HHADHM CCOC(=O)c1ccc(NC(=O)c2cc(C)n(-c3c(F)cccc3F)n2)c([O-])c1 ZINC000469023314 986732367 /nfs/dbraw/zinc/73/23/67/986732367.db2.gz RVVNSQQRNYYHEJ-UHFFFAOYSA-N -1 3 401.369 3.594 20 0 HHADHM CC[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000469031076 986741290 /nfs/dbraw/zinc/74/12/90/986741290.db2.gz SIYDZNBELYSWLQ-OFNKIYASSA-N -1 3 410.493 3.938 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(O[C@H]4CCOC4)cc3)c2)n1 ZINC000469085577 986798023 /nfs/dbraw/zinc/79/80/23/986798023.db2.gz SSLSTLSUZRWEKY-FQEVSTJZSA-N -1 3 405.454 3.832 20 0 HHADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000469110617 986827513 /nfs/dbraw/zinc/82/75/13/986827513.db2.gz VOEKQAGGAWONBA-UHFFFAOYSA-N -1 3 424.244 3.514 20 0 HHADHM CCOC(=O)c1nc(C2CCN(C(=O)C34CC5C[C@@](C)(C3)C[C@](C)(C5)C4)CC2)n[n-]1 ZINC000444658620 986839463 /nfs/dbraw/zinc/83/94/63/986839463.db2.gz BHGVHPCLFYKPGX-TURSSXEVSA-N -1 3 414.550 3.684 20 0 HHADHM CCOC(=O)c1nnc(C2CCN(C(=O)C34CC5C[C@@](C)(C3)C[C@](C)(C5)C4)CC2)[n-]1 ZINC000444658620 986839472 /nfs/dbraw/zinc/83/94/72/986839472.db2.gz BHGVHPCLFYKPGX-TURSSXEVSA-N -1 3 414.550 3.684 20 0 HHADHM C[C@@H](NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O)c1cccnc1 ZINC000469124884 986843930 /nfs/dbraw/zinc/84/39/30/986843930.db2.gz YZTYKTXQIUJIAZ-SECBINFHSA-N -1 3 406.667 3.830 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CSC[C@@H]1C(=O)Nc1ccccc1F ZINC000469126492 986846147 /nfs/dbraw/zinc/84/61/47/986846147.db2.gz RQVHPBWTYYQSDX-QGZVFWFLSA-N -1 3 406.454 3.533 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000469131659 986851485 /nfs/dbraw/zinc/85/14/85/986851485.db2.gz WEWXIGIXLGYRIV-HNNXBMFYSA-N -1 3 419.884 3.780 20 0 HHADHM CCOC(=O)c1nc(C2CCN(C(=O)[C@H](C)Sc3ccc(Cl)cc3)CC2)n[n-]1 ZINC000444756599 986918790 /nfs/dbraw/zinc/91/87/90/986918790.db2.gz RNYCFSKMNOXTRA-LBPRGKRZSA-N -1 3 422.938 3.522 20 0 HHADHM CCOC(=O)c1nnc(C2CCN(C(=O)[C@H](C)Sc3ccc(Cl)cc3)CC2)[n-]1 ZINC000444756599 986918799 /nfs/dbraw/zinc/91/87/99/986918799.db2.gz RNYCFSKMNOXTRA-LBPRGKRZSA-N -1 3 422.938 3.522 20 0 HHADHM CO[C@H](CC[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1)C(F)(F)F ZINC000469295090 987010987 /nfs/dbraw/zinc/01/09/87/987010987.db2.gz NTOSMRFDAJXYOB-OAHLLOKOSA-N -1 3 415.861 3.765 20 0 HHADHM CCCn1ccc2cc(NC(=O)N3CCC(c4n[n-]c(C(=O)OCC)n4)CC3)ccc21 ZINC000444893796 987042456 /nfs/dbraw/zinc/04/24/56/987042456.db2.gz HUEUCAZQQOGQSN-UHFFFAOYSA-N -1 3 424.505 3.758 20 0 HHADHM CCCn1ccc2cc(NC(=O)N3CCC(c4nnc(C(=O)OCC)[n-]4)CC3)ccc21 ZINC000444893796 987042470 /nfs/dbraw/zinc/04/24/70/987042470.db2.gz HUEUCAZQQOGQSN-UHFFFAOYSA-N -1 3 424.505 3.758 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1cccc(C[S@](=O)C2CCOCC2)c1 ZINC000469383865 987082301 /nfs/dbraw/zinc/08/23/01/987082301.db2.gz MQAOZBAAEKZUHR-LJAQVGFWSA-N -1 3 419.518 3.920 20 0 HHADHM COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000469411469 987103158 /nfs/dbraw/zinc/10/31/58/987103158.db2.gz GFQNTIXBWQSYKJ-UHFFFAOYSA-N -1 3 422.884 3.969 20 0 HHADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@@H](C)c2ccc(Cl)cc2Cl)s1 ZINC000444993859 987122190 /nfs/dbraw/zinc/12/21/90/987122190.db2.gz ZUUGKQZBNRQPCW-QMMMGPOBSA-N -1 3 424.327 3.890 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](C)n3ccc4ccccc4c3=O)c2)n1 ZINC000469569134 987237941 /nfs/dbraw/zinc/23/79/41/987237941.db2.gz QIZVKOIGHMCEFH-HNNXBMFYSA-N -1 3 414.465 3.926 20 0 HHADHM O=C(NC[C@H]1CCCS1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000469717877 987371723 /nfs/dbraw/zinc/37/17/23/987371723.db2.gz PKKKRGMMPYKLAN-SECBINFHSA-N -1 3 401.713 3.569 20 0 HHADHM O=C(Cc1noc(-c2cc3c(cc2[O-])OCO3)n1)Nc1c(Cl)cccc1Cl ZINC000445365135 987420433 /nfs/dbraw/zinc/42/04/33/987420433.db2.gz KCEKRELBMDVAAV-UHFFFAOYSA-N -1 3 408.197 3.659 20 0 HHADHM COc1cc(-c2nc(CC(=O)Nc3cccc(Cl)c3Cl)no2)cc(OC)c1[O-] ZINC000445377192 987434764 /nfs/dbraw/zinc/43/47/64/987434764.db2.gz PHKJTVYIJPOMGP-UHFFFAOYSA-N -1 3 424.240 3.947 20 0 HHADHM Cc1cc(NC(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000469919103 987547653 /nfs/dbraw/zinc/54/76/53/987547653.db2.gz PZMGUWSSQGUVDZ-HNNXBMFYSA-N -1 3 421.288 3.550 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc(/C=C/c3nc(-c4cocn4)no3)cc2)cc1 ZINC000445565563 987627787 /nfs/dbraw/zinc/62/77/87/987627787.db2.gz UJOPZVJMIPUITJ-NYYWCZLTSA-N -1 3 424.438 3.704 20 0 HHADHM CCOc1cccc2[nH]cc(Cc3noc(-c4ccc([N-]S(C)(=O)=O)cc4)n3)c21 ZINC000445754312 987815463 /nfs/dbraw/zinc/81/54/63/987815463.db2.gz YIUOBNSJIIXBGP-UHFFFAOYSA-N -1 3 412.471 3.579 20 0 HHADHM CCOc1ccc(S(=O)(=O)[N-]c2cc(-c3nc[nH]n3)ccc2F)c2ccccc12 ZINC000470260282 988206906 /nfs/dbraw/zinc/20/69/06/988206906.db2.gz AQJVXGXERZLJMF-UHFFFAOYSA-N -1 3 412.446 3.964 20 0 HHADHM Cc1ccc(C[N-]S(=O)(=O)c2c(F)cccc2Cl)c(OC[C@H]2CCCO2)c1 ZINC000464186059 988307290 /nfs/dbraw/zinc/30/72/90/988307290.db2.gz JWELKLDPXIXTLE-OAHLLOKOSA-N -1 3 413.898 3.824 20 0 HHADHM CCOCCOc1cc(C)ccc1C[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000464204403 988323103 /nfs/dbraw/zinc/32/31/03/988323103.db2.gz FIDXVAGDWFUWLK-UHFFFAOYSA-N -1 3 401.887 3.681 20 0 HHADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21 ZINC000464218007 988333996 /nfs/dbraw/zinc/33/39/96/988333996.db2.gz WAJSAMSMVBALFM-CQSZACIVSA-N -1 3 407.492 3.910 20 0 HHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]Cc1ccc(N2CCCC2)nc1 ZINC000470558904 988574562 /nfs/dbraw/zinc/57/45/62/988574562.db2.gz LRPZPOZDVRLHFI-UHFFFAOYSA-N -1 3 405.907 3.868 20 0 HHADHM O=S(=O)([N-]CCc1nc2ccccc2s1)c1ccc(F)cc1C(F)(F)F ZINC000470774441 988822754 /nfs/dbraw/zinc/82/27/54/988822754.db2.gz UIISZXIKJJGOBW-UHFFFAOYSA-N -1 3 404.410 3.975 20 0 HHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CCC(C(F)(F)F)CC3)nc(=O)c2c1C ZINC000464781896 989010229 /nfs/dbraw/zinc/01/02/29/989010229.db2.gz WPZLLCZUQPNUBP-SNVBAGLBSA-N -1 3 417.453 3.805 20 0 HHADHM CC[C@@H]1CC[C@H](C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccc(OC)cc3)c2)O1 ZINC000464864077 989120469 /nfs/dbraw/zinc/12/04/69/989120469.db2.gz FPGSBWWHEVHLOS-IEBWSBKVSA-N -1 3 418.515 3.701 20 0 HHADHM Cc1cc(C)n(-c2ccc(C(F)(F)F)cc2NC(=O)NCc2ncccc2[O-])n1 ZINC000471176063 989304721 /nfs/dbraw/zinc/30/47/21/989304721.db2.gz DXSKNDLYYYTBPJ-UHFFFAOYSA-N -1 3 405.380 3.930 20 0 HHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](CN1CCCC1=O)c1ccccc1 ZINC000471327088 989486413 /nfs/dbraw/zinc/48/64/13/989486413.db2.gz HWJUDKFEKOXUQZ-SFHVURJKSA-N -1 3 416.474 3.522 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3cccnc3C)c2)cc1 ZINC000465292698 989648418 /nfs/dbraw/zinc/64/84/18/989648418.db2.gz WDNGEZIPRQAAHR-UHFFFAOYSA-N -1 3 411.483 3.760 20 0 HHADHM Cc1nc(C)c(C[N-]S(=O)(=O)c2cc(Cl)c(Br)cc2F)s1 ZINC000471611656 989816805 /nfs/dbraw/zinc/81/68/05/989816805.db2.gz CNQJWFBXYMGBOG-UHFFFAOYSA-N -1 3 413.721 3.793 20 0 HHADHM O=C(Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1)c1cc([O-])c2ccccc2c1 ZINC000471627625 989835379 /nfs/dbraw/zinc/83/53/79/989835379.db2.gz JVBFIIVJKHAKHD-UHFFFAOYSA-N -1 3 424.400 3.638 20 0 HHADHM CCCC(O)(CCC)CC(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000465537203 989900880 /nfs/dbraw/zinc/90/08/80/989900880.db2.gz CKVWWEBVFNHZKB-UHFFFAOYSA-N -1 3 410.458 3.737 20 0 HHADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1cc(I)ccc1Cl ZINC000471794481 989979911 /nfs/dbraw/zinc/97/99/11/989979911.db2.gz SODWKGJLLLJJMK-UHFFFAOYSA-N -1 3 414.590 3.575 20 0 HHADHM C[C@H]([N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)c1noc(-c2ccccc2)n1 ZINC000471870717 990043143 /nfs/dbraw/zinc/04/31/43/990043143.db2.gz JZNYVHGINYCYNY-JTQLQIEISA-N -1 3 415.368 3.934 20 0 HHADHM Cc1cc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccc4c(c3)C[C@H](C)O4)n2)ccc1F ZINC000471875183 990047415 /nfs/dbraw/zinc/04/74/15/990047415.db2.gz WHAZJZIHWRUBJG-STQMWFEESA-N -1 3 417.462 3.547 20 0 HHADHM Cc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3cccc4cccnc43)n2)cc1F ZINC000471892254 990065359 /nfs/dbraw/zinc/06/53/59/990065359.db2.gz HBHHUOOIWHZRKZ-ZDUSSCGKSA-N -1 3 412.446 3.772 20 0 HHADHM COc1ccc(NC(=O)Cn2cc(NC(=O)c3cc([O-])c4ccccc4c3)cn2)cc1 ZINC000471943418 990107999 /nfs/dbraw/zinc/10/79/99/990107999.db2.gz HIMWYLMSMOQGKX-UHFFFAOYSA-N -1 3 416.437 3.642 20 0 HHADHM CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2ccc(Br)cc2C)c1 ZINC000471949862 990113633 /nfs/dbraw/zinc/11/36/33/990113633.db2.gz ZBKOBSMDNWCNJD-UHFFFAOYSA-N -1 3 401.257 3.656 20 0 HHADHM COc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cc([O-])c3ccccc3c2)cc1 ZINC000472027231 990199900 /nfs/dbraw/zinc/19/99/00/990199900.db2.gz LLFZQJBCWPJWST-LJQANCHMSA-N -1 3 408.479 3.708 20 0 HHADHM CC[C@@H]1Cc2ccccc2CN1C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000466465287 991755910 /nfs/dbraw/zinc/75/59/10/991755910.db2.gz PLRWQOHOUCBDGT-GOSISDBHSA-N -1 3 417.531 3.826 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)N[C@H]3CCN(c4ncccc4Cl)C3)cc2)cc(=O)[n-]1 ZINC000466533126 991833778 /nfs/dbraw/zinc/83/37/78/991833778.db2.gz VHZFHFOQPOWTSZ-INIZCTEOSA-N -1 3 424.892 3.606 20 0 HHADHM O=S(=O)([N-][C@H]1COc2ccc(F)cc21)c1cc(Br)ccc1Cl ZINC000466544777 991852877 /nfs/dbraw/zinc/85/28/77/991852877.db2.gz OWOGGHBLRRNFJE-LBPRGKRZSA-N -1 3 406.660 3.654 20 0 HHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cc(COc4ccccc4F)on3)cc2)n1 ZINC000466635735 991950400 /nfs/dbraw/zinc/95/04/00/991950400.db2.gz QOKBWPQKSNEDKE-UHFFFAOYSA-N -1 3 420.400 3.704 20 0 HHADHM Cc1ccc(C[C@@H](CO)[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000466718877 992030625 /nfs/dbraw/zinc/03/06/25/992030625.db2.gz KGHRAWAXGOWOEK-AWEZNQCLSA-N -1 3 407.841 3.549 20 0 HHADHM CN(C)Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1Br ZINC000466956970 992266514 /nfs/dbraw/zinc/26/65/14/992266514.db2.gz DBUQQYSDJKWKSA-UHFFFAOYSA-N -1 3 409.349 3.800 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(CN(C)C)c(Br)c2)c(C)c1 ZINC000466958910 992268831 /nfs/dbraw/zinc/26/88/31/992268831.db2.gz ZLDOSPVVTLLXCJ-UHFFFAOYSA-N -1 3 413.337 3.629 20 0 HHADHM CN(C)C(=O)CN(Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1)c1ccccc1 ZINC000467163278 992481918 /nfs/dbraw/zinc/48/19/18/992481918.db2.gz MPPFVSTXEPBOOE-UHFFFAOYSA-N -1 3 408.483 3.752 20 0 HHADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC[C@@H]3C)cc2C)cc1 ZINC000467427057 992726809 /nfs/dbraw/zinc/72/68/09/992726809.db2.gz DIWUZRHLVHWSQP-INIZCTEOSA-N -1 3 402.516 3.961 20 0 HHADHM Cc1cc(N2CCCC[C@@H]2C)ccc1[N-]S(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000467430142 992729236 /nfs/dbraw/zinc/72/92/36/992729236.db2.gz SGAAOABUASCLSG-HNNXBMFYSA-N -1 3 415.515 3.620 20 0 HHADHM Cc1ccsc1-c1nsc(NC([O-])=C(c2ccccc2)N2CCCCC2=O)n1 ZINC000472257584 993283475 /nfs/dbraw/zinc/28/34/75/993283475.db2.gz MMEADMILXFVXQD-MRXNPFEDSA-N -1 3 412.540 3.689 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2C[C@@H](C)[C@H]2c2ccccc2)cc1OC ZINC000480821600 993697256 /nfs/dbraw/zinc/69/72/56/993697256.db2.gz NFJHBXKPPABGGB-KUHUBIRLSA-N -1 3 403.504 3.682 20 0 HHADHM CCS[C@@H]1CCCCN(C(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)C1 ZINC000480919275 993773396 /nfs/dbraw/zinc/77/33/96/993773396.db2.gz CGSZYQWAGVMCNP-OAHLLOKOSA-N -1 3 415.581 3.596 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1cccc(NC(=O)C2CCCCC2)c1 ZINC000481017425 993860929 /nfs/dbraw/zinc/86/09/29/993860929.db2.gz CRZIYANWVKJPNB-UHFFFAOYSA-N -1 3 410.400 3.664 20 0 HHADHM O=S(=O)([N-][C@@H]1CCCc2c[nH]nc21)c1ccc(Br)cc1C(F)(F)F ZINC000481074936 993914598 /nfs/dbraw/zinc/91/45/98/993914598.db2.gz OYBUQGBGKFENSS-LLVKDONJSA-N -1 3 424.242 3.547 20 0 HHADHM COc1ccc(-c2nc(CN3CCN(Cc4cc([O-])cc(F)c4)CC3)cs2)cc1 ZINC000473134259 994018293 /nfs/dbraw/zinc/01/82/93/994018293.db2.gz WZKXPSHLXPCZMI-UHFFFAOYSA-N -1 3 413.518 3.981 20 0 HHADHM COc1cc(C(=O)N[C@@H](CC(=O)OC(C)C)c2ccc(C)cc2)cc(OC)c1[O-] ZINC000481199641 994033515 /nfs/dbraw/zinc/03/35/15/994033515.db2.gz OCXWNEBFWFMQSR-KRWDZBQOSA-N -1 3 401.459 3.531 20 0 HHADHM Cc1ccc([C@@H]2CCN(C(=O)CCc3c(C)nc(-c4ccncc4)[n-]c3=O)C2)c(C)c1 ZINC000473521139 994376377 /nfs/dbraw/zinc/37/63/77/994376377.db2.gz DZZWGFBXVODLLN-HXUWFJFHSA-N -1 3 416.525 3.706 20 0 HHADHM COc1ccc(F)cc1CC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000481625485 994489340 /nfs/dbraw/zinc/48/93/40/994489340.db2.gz DFQSMVDSNGDTDH-UHFFFAOYSA-N -1 3 420.868 3.613 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@@H](C)[C@@H](C)c2ccccc2)cc1OC ZINC000473631801 994512154 /nfs/dbraw/zinc/51/21/54/994512154.db2.gz ZPLGZGDQXDTSOY-CABCVRRESA-N -1 3 405.520 3.771 20 0 HHADHM COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2ncccc2[O-])c1 ZINC000473632576 994512799 /nfs/dbraw/zinc/51/27/99/994512799.db2.gz ZPDSWBIJKVBCPG-UHFFFAOYSA-N -1 3 400.438 3.579 20 0 HHADHM O=C(NCc1ncccc1[O-])[C@H]1CCC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000473638928 994520540 /nfs/dbraw/zinc/52/05/40/994520540.db2.gz GTTXZMCPGDQXTF-GBXCKJPGSA-N -1 3 415.493 3.584 20 0 HHADHM CC(C)(C)N1C(=O)C[C@@H](C(=O)NCc2ncccc2[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000473639717 994521091 /nfs/dbraw/zinc/52/10/91/994521091.db2.gz QXONCJDDGCFPSR-BFUOFWGJSA-N -1 3 419.884 3.584 20 0 HHADHM Cc1nc(C)c(CCC(=O)N(C)Cc2ccc(Br)cc2Cl)c(=O)[n-]1 ZINC000481683106 994542874 /nfs/dbraw/zinc/54/28/74/994542874.db2.gz IBFFEAFSGSKRJJ-UHFFFAOYSA-N -1 3 412.715 3.806 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)NCC(F)(F)C(F)F ZINC000481694930 994554771 /nfs/dbraw/zinc/55/47/71/994554771.db2.gz MDHIEZKMDLJCCM-UHFFFAOYSA-N -1 3 422.375 3.565 20 0 HHADHM O=S(=O)(Cc1ccccc1F)[N-]c1nccn1Cc1ccc(Br)cc1 ZINC000481809427 994657607 /nfs/dbraw/zinc/65/76/07/994657607.db2.gz FDXIQNNFGQXHJQ-UHFFFAOYSA-N -1 3 424.295 3.775 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2CN(C)C)c(Br)c1 ZINC000481825682 994677013 /nfs/dbraw/zinc/67/70/13/994677013.db2.gz QFDNZMNCOYTPDY-UHFFFAOYSA-N -1 3 413.337 3.629 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)N3CCC[C@]3(CO)Cc3ccccc3)cc2)cc(=O)[n-]1 ZINC000473765520 994682623 /nfs/dbraw/zinc/68/26/23/994682623.db2.gz LUUJQLNDKDITCR-XMMPIXPASA-N -1 3 418.497 3.759 20 0 HHADHM COC[C@H](Cc1ccccc1)N(C)C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000473769339 994688083 /nfs/dbraw/zinc/68/80/83/994688083.db2.gz MDMOJLOBNFIKCO-FQEVSTJZSA-N -1 3 406.486 3.879 20 0 HHADHM O=S(=O)([N-]c1cc([C@H]2CCCOC2)n[nH]1)c1ccc(OCc2ccccc2)cc1 ZINC000481850172 994706505 /nfs/dbraw/zinc/70/65/05/994706505.db2.gz UUVPYGDZCFUKCV-KRWDZBQOSA-N -1 3 413.499 3.684 20 0 HHADHM CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)[N-]c3c(CC)cc(C)cc3CC)ccc2O1 ZINC000481882104 994746541 /nfs/dbraw/zinc/74/65/41/994746541.db2.gz BMJNINPCNWNOHR-HXUWFJFHSA-N -1 3 417.527 3.787 20 0 HHADHM CCCCN(C)C(=O)c1ccccc1S(=O)(=O)[N-]c1c2c(ccc1Cl)OCC2 ZINC000481895281 994765363 /nfs/dbraw/zinc/76/53/63/994765363.db2.gz XEYVACKZZLKVGP-UHFFFAOYSA-N -1 3 422.934 3.948 20 0 HHADHM CCCOc1c(Cl)cc(C(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1OCC ZINC000481895627 994765843 /nfs/dbraw/zinc/76/58/43/994765843.db2.gz PHMMFELQCJBJMT-UHFFFAOYSA-N -1 3 406.792 3.594 20 0 HHADHM O=S(=O)([N-]c1ccncc1Br)c1csc2ccc(Cl)cc21 ZINC000481900435 994771360 /nfs/dbraw/zinc/77/13/60/994771360.db2.gz NJZSHBLYIRURLR-UHFFFAOYSA-N -1 3 403.710 3.935 20 0 HHADHM COc1ccc(Nc2ccccc2C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)cc1 ZINC000473903022 994862814 /nfs/dbraw/zinc/86/28/14/994862814.db2.gz QTEVDHLRRGTZCV-UHFFFAOYSA-N -1 3 400.442 3.795 20 0 HHADHM COc1ccc(Nc2ccccc2C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)cc1 ZINC000473903022 994862825 /nfs/dbraw/zinc/86/28/25/994862825.db2.gz QTEVDHLRRGTZCV-UHFFFAOYSA-N -1 3 400.442 3.795 20 0 HHADHM NC(=O)c1ccccc1Oc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1 ZINC000481971988 994863551 /nfs/dbraw/zinc/86/35/51/994863551.db2.gz VKGNHVZAYMTYSU-UHFFFAOYSA-N -1 3 408.479 3.867 20 0 HHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000473904751 994865617 /nfs/dbraw/zinc/86/56/17/994865617.db2.gz YCQTXBJXBYTDJY-UHFFFAOYSA-N -1 3 421.464 3.896 20 0 HHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000473904751 994865626 /nfs/dbraw/zinc/86/56/26/994865626.db2.gz YCQTXBJXBYTDJY-UHFFFAOYSA-N -1 3 421.464 3.896 20 0 HHADHM Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000473925793 994896185 /nfs/dbraw/zinc/89/61/85/994896185.db2.gz AZMIHFOLVAFTLJ-UHFFFAOYSA-N -1 3 421.892 3.558 20 0 HHADHM Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000473925793 994896194 /nfs/dbraw/zinc/89/61/94/994896194.db2.gz AZMIHFOLVAFTLJ-UHFFFAOYSA-N -1 3 421.892 3.558 20 0 HHADHM Cc1nc(C)c(CC(=O)N[C@H](c2cc(F)cc(Br)c2)C2CC2)c(=O)[n-]1 ZINC000482037640 994956932 /nfs/dbraw/zinc/95/69/32/994956932.db2.gz DSLRUIXMRMKDGN-KRWDZBQOSA-N -1 3 408.271 3.511 20 0 HHADHM Cc1nc(C2([N-]S(=O)(=O)c3cccc(Br)c3C)CCCCC2)no1 ZINC000474068633 995055450 /nfs/dbraw/zinc/05/54/50/995055450.db2.gz XDNDZARPJVWLMD-UHFFFAOYSA-N -1 3 414.325 3.587 20 0 HHADHM CCCCOc1c(Cl)cc(C(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1OC ZINC000482234880 995217958 /nfs/dbraw/zinc/21/79/58/995217958.db2.gz AZOIRPNRGPAKNC-UHFFFAOYSA-N -1 3 406.792 3.594 20 0 HHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@@H](CC(C)(C)C)C(F)(F)F ZINC000482248464 995229074 /nfs/dbraw/zinc/22/90/74/995229074.db2.gz YWSNOVDWRNZSHP-HNNXBMFYSA-N -1 3 410.440 3.969 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccc2nc(C(F)(F)F)cn2c1 ZINC000474247107 995244833 /nfs/dbraw/zinc/24/48/33/995244833.db2.gz FIBUQYMLEFBFDA-UHFFFAOYSA-N -1 3 414.181 3.751 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)NCc1ccnc(N2CCCCC2)c1 ZINC000482278386 995256799 /nfs/dbraw/zinc/25/67/99/995256799.db2.gz XKIPOQJWYJSHSJ-UHFFFAOYSA-N -1 3 419.323 3.539 20 0 HHADHM C[C@@H](COc1ccc(F)cc1F)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000482329499 995308965 /nfs/dbraw/zinc/30/89/65/995308965.db2.gz TVIPTMNGIPUHLL-JTQLQIEISA-N -1 3 415.234 3.700 20 0 HHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000474328595 995311197 /nfs/dbraw/zinc/31/11/97/995311197.db2.gz KIXDSMLBKMGPGF-UHFFFAOYSA-N -1 3 416.953 3.790 20 0 HHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000474340885 995320625 /nfs/dbraw/zinc/32/06/25/995320625.db2.gz MHDAGCDAZLZMHY-UHFFFAOYSA-N -1 3 405.530 3.609 20 0 HHADHM CC(C)[C@@H]1CC[C@H](NC(=O)c2[nH]c(=O)[n-]c(=O)c2N)[C@H](Cc2ccc(Cl)cc2)C1 ZINC000482344589 995323505 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20 0 HHADHM Cc1cc(S(=O)(=O)[N-]Cc2cc(-c3ccccc3)on2)sc1Br ZINC000490035602 999882101 /nfs/dbraw/zinc/88/21/01/999882101.db2.gz PKOQEQODAIJYJD-UHFFFAOYSA-N -1 3 413.318 3.953 20 0 HHADHM COc1cc(C(=O)N[C@@H](C)c2noc(-c3ccc(Cl)cc3)n2)cc(OC)c1[O-] ZINC000490103646 999893460 /nfs/dbraw/zinc/89/34/60/999893460.db2.gz HDPCUNDDMZMOAW-JTQLQIEISA-N -1 3 403.822 3.604 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@H]1CCC[C@H](c2ccccc2)C1 ZINC000490160042 999902033 /nfs/dbraw/zinc/90/20/33/999902033.db2.gz VMGDHKUETHWXRG-LEWJYISDSA-N -1 3 416.525 3.916 20 0 HHADHM CC(C)([N-]S(=O)(=O)c1sccc1Br)c1cc(C(F)(F)F)on1 ZINC000490480784 999964563 /nfs/dbraw/zinc/96/45/63/999964563.db2.gz ZBEJUIXXCNMHOH-UHFFFAOYSA-N -1 3 419.244 3.731 20 0 HHADHM CN(C)[C@H](CNC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-])c1ccccc1 ZINC000490365540 999945350 /nfs/dbraw/zinc/94/53/50/999945350.db2.gz LFAVXUJMXXQNJC-QGZVFWFLSA-N -1 3 418.419 3.629 20 0 HHADHM Cc1nc(S(=O)(=O)CC(=O)Nc2ccccc2C(F)(F)F)[n-]c1-c1ccccc1 ZINC000490420218 999954889 /nfs/dbraw/zinc/95/48/89/999954889.db2.gz ROBUFRBDBBHYDJ-UHFFFAOYSA-N -1 3 423.416 3.816 20 0 HHADHM Cc1[n-]c(S(=O)(=O)CC(=O)Nc2ccccc2C(F)(F)F)nc1-c1ccccc1 ZINC000490420218 999954890 /nfs/dbraw/zinc/95/48/90/999954890.db2.gz ROBUFRBDBBHYDJ-UHFFFAOYSA-N -1 3 423.416 3.816 20 0 HHADHM Cc1nc(S(=O)(=O)CC(=O)N(Cc2ccc(C)cc2)C2CC2)[n-]c1-c1ccccc1 ZINC000490421168 999955054 /nfs/dbraw/zinc/95/50/54/999955054.db2.gz XFKZLYASAOJPGL-UHFFFAOYSA-N -1 3 423.538 3.658 20 0 HHADHM Cc1[n-]c(S(=O)(=O)CC(=O)N(Cc2ccc(C)cc2)C2CC2)nc1-c1ccccc1 ZINC000490421168 999955056 /nfs/dbraw/zinc/95/50/56/999955056.db2.gz XFKZLYASAOJPGL-UHFFFAOYSA-N -1 3 423.538 3.658 20 0 HHADHM Cc1nc(S(=O)(=O)Cc2ccn(-c3c(F)cccc3F)n2)[n-]c1-c1ccccc1 ZINC000490422498 999955294 /nfs/dbraw/zinc/95/52/94/999955294.db2.gz XSJCHYOKKFAJFN-UHFFFAOYSA-N -1 3 414.437 3.823 20 0 HHADHM Cc1[n-]c(S(=O)(=O)Cc2ccn(-c3c(F)cccc3F)n2)nc1-c1ccccc1 ZINC000490422498 999955296 /nfs/dbraw/zinc/95/52/96/999955296.db2.gz XSJCHYOKKFAJFN-UHFFFAOYSA-N -1 3 414.437 3.823 20 0 HHADHM CCc1ccc([C@H](C)NC(=O)CS(=O)(=O)c2nc(C)c(-c3ccccc3)[n-]2)cc1 ZINC000490433166 999956988 /nfs/dbraw/zinc/95/69/88/999956988.db2.gz BBQFSFRGJBUTAT-HNNXBMFYSA-N -1 3 411.527 3.599 20 0 HHADHM CCc1ccc([C@H](C)NC(=O)CS(=O)(=O)c2nc(-c3ccccc3)c(C)[n-]2)cc1 ZINC000490433166 999956990 /nfs/dbraw/zinc/95/69/90/999956990.db2.gz BBQFSFRGJBUTAT-HNNXBMFYSA-N -1 3 411.527 3.599 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H](O)CCc3ccccc3)cc2)cc1 ZINC000490433991 999957230 /nfs/dbraw/zinc/95/72/30/999957230.db2.gz PSKOOMGFIWMWBL-QFIPXVFZSA-N -1 3 424.522 3.728 20 0 HHADHM Cc1nc(S(=O)(=O)CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)[n-]c1-c1ccccc1 ZINC000490443588 999958656 /nfs/dbraw/zinc/95/86/56/999958656.db2.gz KIQRIAOUIOYSJD-HNNXBMFYSA-N -1 3 415.490 3.518 20 0 HHADHM Cc1[n-]c(S(=O)(=O)CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)nc1-c1ccccc1 ZINC000490443588 999958658 /nfs/dbraw/zinc/95/86/58/999958658.db2.gz KIQRIAOUIOYSJD-HNNXBMFYSA-N -1 3 415.490 3.518 20 0 HHADHM Cc1nc(S(=O)(=O)CC(=O)N(C)[C@H](C)c2ccc(F)cc2)[n-]c1-c1ccccc1 ZINC000490443936 999958664 /nfs/dbraw/zinc/95/86/64/999958664.db2.gz KIQRIAOUIOYSJD-OAHLLOKOSA-N -1 3 415.490 3.518 20 0 HHADHM Cc1[n-]c(S(=O)(=O)CC(=O)N(C)[C@H](C)c2ccc(F)cc2)nc1-c1ccccc1 ZINC000490443936 999958666 /nfs/dbraw/zinc/95/86/66/999958666.db2.gz KIQRIAOUIOYSJD-OAHLLOKOSA-N -1 3 415.490 3.518 20 0 HHADHM CCC[C@@H](NC(=O)CS(=O)(=O)c1nc(C)c(-c2ccccc2)[n-]1)c1ccccc1 ZINC000490453565 999959933 /nfs/dbraw/zinc/95/99/33/999959933.db2.gz NQDCKVWYBDPYLN-LJQANCHMSA-N -1 3 411.527 3.816 20 0 HHADHM CCC[C@@H](NC(=O)CS(=O)(=O)c1nc(-c2ccccc2)c(C)[n-]1)c1ccccc1 ZINC000490453565 999959935 /nfs/dbraw/zinc/95/99/35/999959935.db2.gz NQDCKVWYBDPYLN-LJQANCHMSA-N -1 3 411.527 3.816 20 0 HHADHM Cc1nc(S(=O)(=O)[C@H](C)C(=O)N[C@@H](C)c2ccccc2C)[n-]c1-c1ccccc1 ZINC000490454989 999960059 /nfs/dbraw/zinc/96/00/59/999960059.db2.gz SZDNWWYOYFKVOO-DOTOQJQBSA-N -1 3 411.527 3.733 20 0 HHADHM CCN(CC)C(=O)[C@H](c1ccccc1)S(=O)(=O)c1nc(C)c(-c2ccccc2)[n-]1 ZINC000490457715 999960679 /nfs/dbraw/zinc/96/06/79/999960679.db2.gz ZMMXWCQLRGLYJU-FQEVSTJZSA-N -1 3 411.527 3.769 20 0 HHADHM Cc1[n-]c(S(=O)(=O)CCC(=O)Nc2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000490465004 999961903 /nfs/dbraw/zinc/96/19/03/999961903.db2.gz RGNXTKBTYMMZNO-UHFFFAOYSA-N -1 3 403.891 3.841 20 0 HHADHM Cc1nc(S(=O)(=O)CCC(=O)Nc2ccc(Cl)cc2)[n-]c1-c1ccccc1 ZINC000490465004 999961904 /nfs/dbraw/zinc/96/19/04/999961904.db2.gz RGNXTKBTYMMZNO-UHFFFAOYSA-N -1 3 403.891 3.841 20 0 HHADHM Cc1nc(S(=O)(=O)CC(=O)N[C@@H](C)c2ccccc2Cl)[n-]c1-c1ccccc1 ZINC000490474322 999963131 /nfs/dbraw/zinc/96/31/31/999963131.db2.gz AERCZMCLMIDAHH-ZDUSSCGKSA-N -1 3 417.918 3.690 20 0 HHADHM Cc1[n-]c(S(=O)(=O)CC(=O)N[C@@H](C)c2ccccc2Cl)nc1-c1ccccc1 ZINC000490474322 999963132 /nfs/dbraw/zinc/96/31/32/999963132.db2.gz AERCZMCLMIDAHH-ZDUSSCGKSA-N -1 3 417.918 3.690 20 0 HHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)s1)[C@@H]1OCCc2sccc21 ZINC000490510669 999969651 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3.631 20 0 HHADHM Cc1cccc(O)c1NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000490683826 999993077 /nfs/dbraw/zinc/99/30/77/999993077.db2.gz JIBUXXUFEBBJOP-UHFFFAOYSA-N -1 3 414.458 3.822 20 0 HHADHM COc1cc(C(=O)N2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)cc(OC)c1[O-] ZINC000491162438 1000051355 /nfs/dbraw/zinc/05/13/55/1000051355.db2.gz OHUFOUFTTOFDLC-QGZVFWFLSA-N -1 3 411.376 3.642 20 0 HHADHM O=S(=O)([N-]CCCC(F)(F)F)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000491561714 1000083824 /nfs/dbraw/zinc/08/38/24/1000083824.db2.gz UPWKHQVXLCPAPJ-ZDUSSCGKSA-N -1 3 415.861 3.909 20 0 HHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC[C@H]3CCC(C)(C)O3)c2)cc1 ZINC000492542812 1000131683 /nfs/dbraw/zinc/13/16/83/1000131683.db2.gz XSQWVAOYKDBFSR-GOSISDBHSA-N -1 3 416.543 3.792 20 0 HHADHM COC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493792016 1000193453 /nfs/dbraw/zinc/19/34/53/1000193453.db2.gz ILQIALNGCASNSK-CYBMUJFWSA-N -1 3 418.740 3.639 20 0 HHADHM O=S(=O)([N-][C@@H](CCO)C1CCCCC1)c1cccc(Cl)c1Br ZINC000493900253 1000205092 /nfs/dbraw/zinc/20/50/92/1000205092.db2.gz KQJIXBKCWVLCGC-ZDUSSCGKSA-N -1 3 410.761 3.712 20 0 HHADHM C[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000493907677 1000208565 /nfs/dbraw/zinc/20/85/65/1000208565.db2.gz PFVDYVMVSHCYAA-YPMHNXCESA-N -1 3 415.861 3.907 20 0 HHADHM COC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)c1ccc(F)cc1 ZINC000493909791 1000209076 /nfs/dbraw/zinc/20/90/76/1000209076.db2.gz XIBJSHMXFXCPHX-CYBMUJFWSA-N -1 3 422.703 3.908 20 0 HHADHM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1)C(F)(F)F ZINC000493923239 1000216172 /nfs/dbraw/zinc/21/61/72/1000216172.db2.gz ADWWSRZLIONZRM-DGCLKSJQSA-N -1 3 415.861 3.765 20 0 HHADHM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc(OC3CCCCC3)cc2)s1 ZINC000504508898 1000241359 /nfs/dbraw/zinc/24/13/59/1000241359.db2.gz GZNMSWXAAUEFAQ-UHFFFAOYSA-N -1 3 409.529 3.725 20 0 HHADHM C[C@@]1(C[N-]S(=O)(=O)c2cccc(Cl)c2Br)CCO[C@@H]1C1CC1 ZINC000493970806 1000244176 /nfs/dbraw/zinc/24/41/76/1000244176.db2.gz ULJKUJITFMJMOH-CABCVRRESA-N -1 3 408.745 3.586 20 0 HHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cncc(-c4ccc(OC)cc4)c3)nc21 ZINC000494070477 1000294130 /nfs/dbraw/zinc/29/41/30/1000294130.db2.gz AKYQRWHXOUTKLN-UHFFFAOYSA-N -1 3 402.410 3.672 20 0 HHADHM CCCN(CCC)C(=O)c1cccc(C(=O)Nc2nc3c(cccc3C(=O)OC)[n-]2)c1 ZINC000494081387 1000299242 /nfs/dbraw/zinc/29/92/42/1000299242.db2.gz HDTHKMDLISWBBO-UHFFFAOYSA-N -1 3 422.485 3.864 20 0 HHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cnn(-c4ccc(Cl)cc4)c3C)nc21 ZINC000494103249 1000309857 /nfs/dbraw/zinc/30/98/57/1000309857.db2.gz LLWWLKDUTGAQMM-UHFFFAOYSA-N -1 3 409.833 3.749 20 0 HHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(OCc4ccncc4)cc3)nc21 ZINC000494121519 1000317589 /nfs/dbraw/zinc/31/75/89/1000317589.db2.gz CKXMFTZBCXECGX-UHFFFAOYSA-N -1 3 402.410 3.576 20 0 HHADHM CS(=O)(=O)[N-]c1cncc(C(=O)Nc2ccccc2Nc2c(F)cccc2F)c1 ZINC000494139311 1000326561 /nfs/dbraw/zinc/32/65/61/1000326561.db2.gz BKOQYGYXZWLLEW-UHFFFAOYSA-N -1 3 418.425 3.727 20 0 HHADHM CC1(C)CC[C@@H](C[N-]S(=O)(=O)c2ccc(Br)cc2C(F)(F)F)O1 ZINC000494374063 1000460789 /nfs/dbraw/zinc/46/07/89/1000460789.db2.gz HRHDWQPHRHJKIW-JTQLQIEISA-N -1 3 416.259 3.704 20 0 HHADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(CSCCC(=O)OC)c2)cc1 ZINC000504985255 1000489164 /nfs/dbraw/zinc/48/91/64/1000489164.db2.gz LZJLDIVDAFDMMU-UHFFFAOYSA-N -1 3 409.529 3.682 20 0 HHADHM Cc1ccc(CO)cc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000494801887 1000666031 /nfs/dbraw/zinc/66/60/31/1000666031.db2.gz WPHSJTJKSXOJPX-UHFFFAOYSA-N -1 3 414.458 3.680 20 0 HHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cnn(-c4ccncc4)c3C(F)F)cc2)n1 ZINC000495097739 1000839620 /nfs/dbraw/zinc/83/96/20/1000839620.db2.gz JGHDADZTGHMBGT-UHFFFAOYSA-N -1 3 422.395 3.516 20 0 HHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCCCO[C@H]1CCCc2ccccc21 ZINC000505668890 1000966002 /nfs/dbraw/zinc/96/60/02/1000966002.db2.gz LHDLTMNUUYZFFC-FQEVSTJZSA-N -1 3 420.513 3.765 20 0 HHADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N(Cc1ccco1)Cc1ccc(O)cc1 ZINC000495400737 1000999336 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ZINC000590067801 1073542694 /nfs/dbraw/zinc/54/26/94/1073542694.db2.gz FXPRMAGKXBMDGW-QGZVFWFLSA-N -1 3 409.556 3.565 20 0 HHADHM CC[C@H](C)Oc1ccccc1/C=C\C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000760762707 1073547157 /nfs/dbraw/zinc/54/71/57/1073547157.db2.gz ROGKRQBYPKHKRP-GFBZKKKVSA-N -1 3 408.498 3.567 20 0 HHADHM CC[C@@H](C)Oc1ccccc1/C=C/C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000760762712 1073547599 /nfs/dbraw/zinc/54/75/99/1073547599.db2.gz ROGKRQBYPKHKRP-LVMGUKCRSA-N -1 3 408.498 3.567 20 0 HHADHM CCCC[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000590204563 1073650578 /nfs/dbraw/zinc/65/05/78/1073650578.db2.gz FSWHRYANFCPWCP-DNVCBOLYSA-N -1 3 410.518 3.825 20 0 HHADHM O=C(Nc1cc(I)ccc1[O-])c1ccc(OC(F)F)c(F)c1 ZINC000590316229 1073746479 /nfs/dbraw/zinc/74/64/79/1073746479.db2.gz FBZZWXLDKBUBRR-UHFFFAOYSA-N -1 3 423.128 3.990 20 0 HHADHM COC(=O)c1cc(-c2csc(NC(=O)c3cc([O-])cc(C(F)(F)F)c3)n2)c[nH]1 ZINC000590416482 1073798578 /nfs/dbraw/zinc/79/85/78/1073798578.db2.gz CEDRVKGAOXSDBY-UHFFFAOYSA-N -1 3 411.361 3.902 20 0 HHADHM CCOC(=O)[C@H]1CCCc2sc([N-]C(=O)c3noc(-c4cccc(F)c4)n3)nc21 ZINC000590482486 1073853898 /nfs/dbraw/zinc/85/38/98/1073853898.db2.gz FARDCSBLMFXMOA-LBPRGKRZSA-N -1 3 416.434 3.568 20 0 HHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cccnc1Oc1ccc(Cl)cc1Cl ZINC000590496118 1073857145 /nfs/dbraw/zinc/85/71/45/1073857145.db2.gz CBNDVGJAYRAPSG-UHFFFAOYSA-N -1 3 418.162 4.570 20 0 HHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cccnc1Oc1ccc(Cl)cc1Cl ZINC000590496118 1073857149 /nfs/dbraw/zinc/85/71/49/1073857149.db2.gz CBNDVGJAYRAPSG-UHFFFAOYSA-N -1 3 418.162 4.570 20 0 HHADHM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)N1CC[C@H](c2ccco2)C1 ZINC000600417491 1073865309 /nfs/dbraw/zinc/86/53/09/1073865309.db2.gz JQJYGCURTYVDFU-INIZCTEOSA-N -1 3 414.458 3.849 20 0 HHADHM COCc1ncsc1C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000555845246 1073885955 /nfs/dbraw/zinc/88/59/55/1073885955.db2.gz WLMUXAMTJJCJTH-UHFFFAOYSA-N -1 3 417.512 3.651 20 0 HHADHM Cc1c(C(=O)[N-]c2nnc(Cc3ccccc3)s2)nnn1-c1ccccc1Cl ZINC000590883592 1074034041 /nfs/dbraw/zinc/03/40/41/1074034041.db2.gz OXZRWKFAMUDBOZ-UHFFFAOYSA-N -1 3 410.890 3.924 20 0 HHADHM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1cc(CN2CCCC2)ccc1C ZINC000573040365 1074069818 /nfs/dbraw/zinc/06/98/18/1074069818.db2.gz BWICVTHGIOENNF-UHFFFAOYSA-N -1 3 404.580 3.861 20 0 HHADHM CCOC(=O)c1c(-c2ccc(C)cc2)csc1[N-]C(=O)c1nc2nccc(C)n2n1 ZINC000904233595 1074186163 /nfs/dbraw/zinc/18/61/63/1074186163.db2.gz VJHVKMRJDDTWJK-UHFFFAOYSA-N -1 3 421.482 3.899 20 0 HHADHM COc1ccc(-c2noc([C@@H]([N-]S(=O)(=O)c3ccc(C)cc3)C(C)C)n2)cc1 ZINC000904361605 1074203635 /nfs/dbraw/zinc/20/36/35/1074203635.db2.gz PBYSPEJQLMRWAK-SFHVURJKSA-N -1 3 401.488 3.729 20 0 HHADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]C[C@H](Cc1ccccc1)C(F)(F)F ZINC000573170401 1074258663 /nfs/dbraw/zinc/25/86/63/1074258663.db2.gz XQIZBAJIDONLQU-ZDUSSCGKSA-N -1 3 421.462 3.543 20 0 HHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CCc2ccccc2Cl)cc1Cl ZINC000591390047 1074263101 /nfs/dbraw/zinc/26/31/01/1074263101.db2.gz UHNGYXPAROTNEU-UHFFFAOYSA-N -1 3 405.278 3.612 20 0 HHADHM Cc1ccccc1NCCC(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000591367093 1074268395 /nfs/dbraw/zinc/26/83/95/1074268395.db2.gz BLKACNLIAFTQJW-UHFFFAOYSA-N -1 3 415.437 3.826 20 0 HHADHM C[C@@H](Oc1ccccc1F)C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000591367271 1074268413 /nfs/dbraw/zinc/26/84/13/1074268413.db2.gz OHWJSRGSZKKDMB-SNVBAGLBSA-N -1 3 420.384 3.622 20 0 HHADHM C[C@@H](OCc1ccccc1)C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000591367298 1074268468 /nfs/dbraw/zinc/26/84/68/1074268468.db2.gz QCAPHTOMYHECNI-GFCCVEGCSA-N -1 3 416.421 3.621 20 0 HHADHM Cc1nc(NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)sc1Cc1cccc(Cl)c1 ZINC000591436790 1074298236 /nfs/dbraw/zinc/29/82/36/1074298236.db2.gz BHIBXEQJKVGTRD-UHFFFAOYSA-N -1 3 411.870 3.832 20 0 HHADHM Cc1ccoc1C(=O)Cc1nc(=O)c2c(C)c(C(=O)Nc3ccccc3)sc2[n-]1 ZINC000591725494 1074504480 /nfs/dbraw/zinc/50/44/80/1074504480.db2.gz SNUSPWGHWPLIRA-UHFFFAOYSA-N -1 3 407.451 3.872 20 0 HHADHM Cc1ccc(C(=O)N[C@@H](CC(=O)Nc2nnc(C(F)(F)F)[n-]2)c2ccccc2)cc1 ZINC000591798824 1074547842 /nfs/dbraw/zinc/54/78/42/1074547842.db2.gz XRWATCJBBVPBCO-HNNXBMFYSA-N -1 3 417.391 3.632 20 0 HHADHM Cc1ccc(C(=O)N[C@@H](CC(=O)Nc2nc(C(F)(F)F)n[n-]2)c2ccccc2)cc1 ZINC000591798824 1074547844 /nfs/dbraw/zinc/54/78/44/1074547844.db2.gz XRWATCJBBVPBCO-HNNXBMFYSA-N -1 3 417.391 3.632 20 0 HHADHM CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2c(C)ccnc2Br)cc1 ZINC000760892275 1074554026 /nfs/dbraw/zinc/55/40/26/1074554026.db2.gz ABCRUMLZZRVUJL-UHFFFAOYSA-N -1 3 413.293 3.520 20 0 HHADHM O=S(=O)([N-][C@@H]1CCN(c2ccc(F)cc2F)C1)c1c(Cl)cccc1Cl ZINC000592824816 1075115598 /nfs/dbraw/zinc/11/55/98/1075115598.db2.gz OSIQCXVQGKIFOE-LLVKDONJSA-N -1 3 407.269 3.829 20 0 HHADHM CC[C@@H]([N-]S(=O)(=O)c1csnc1-c1cccc(C(F)(F)F)c1)[C@@H](O)C(C)C ZINC001212172111 1075118082 /nfs/dbraw/zinc/11/80/82/1075118082.db2.gz VQEMEIAXKPMIMM-CJNGLKHVSA-N -1 3 422.494 3.903 20 0 HHADHM C[C@@H]([N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2)c1nc(C(C)(C)C)cs1 ZINC000592819813 1075122698 /nfs/dbraw/zinc/12/26/98/1075122698.db2.gz AZPSNDUJUZNPAI-SNVBAGLBSA-N -1 3 411.524 3.504 20 0 HHADHM COc1ccc(C[C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1OC ZINC000592822776 1075124359 /nfs/dbraw/zinc/12/43/59/1075124359.db2.gz PJFFQFPARCWNAR-LLVKDONJSA-N -1 3 404.315 3.920 20 0 HHADHM O=S(=O)([N-][C@H]1CCN(c2ccc(F)cc2F)C1)c1cc(Cl)ccc1Cl ZINC000592824167 1075124883 /nfs/dbraw/zinc/12/48/83/1075124883.db2.gz KGDUFVFBTOSAST-LBPRGKRZSA-N -1 3 407.269 3.829 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Oc1cccc2c1OCCO2 ZINC000761012827 1075172984 /nfs/dbraw/zinc/17/29/84/1075172984.db2.gz WSDLQXYQJRDCRU-IBGZPJMESA-N -1 3 419.433 3.630 20 0 HHADHM COc1ccc(/C=C2/N=C(c3ccccc3OC)OC2=O)c(Br)c1[O-] ZINC000761015893 1075189894 /nfs/dbraw/zinc/18/98/94/1075189894.db2.gz RWGJIHHBLGHAIU-FMIVXFBMSA-N -1 3 404.216 3.516 20 0 HHADHM Cc1ccc(C(=O)NCc2cocn2)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000593983204 1075241782 /nfs/dbraw/zinc/24/17/82/1075241782.db2.gz LUVQPZLFHPTQAJ-UHFFFAOYSA-N -1 3 423.853 3.506 20 0 HHADHM O=S(=O)(Cc1coc(-c2ccc(F)c(F)c2)n1)c1nc(CCC2CCCC2)n[n-]1 ZINC000595031509 1075394111 /nfs/dbraw/zinc/39/41/11/1075394111.db2.gz VTECTNWQPIPJPW-UHFFFAOYSA-N -1 3 422.457 3.835 20 0 HHADHM O=S(=O)(Cc1coc(-c2ccc(F)c(F)c2)n1)c1nnc(CCC2CCCC2)[n-]1 ZINC000595031509 1075394117 /nfs/dbraw/zinc/39/41/17/1075394117.db2.gz VTECTNWQPIPJPW-UHFFFAOYSA-N -1 3 422.457 3.835 20 0 HHADHM O=C(CCCCOc1ccc(Br)cc1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000595246721 1075420583 /nfs/dbraw/zinc/42/05/83/1075420583.db2.gz NJYTZKAALCQJSQ-UHFFFAOYSA-N -1 3 416.279 3.817 20 0 HHADHM O=C(CCCCOc1ccc(Br)cc1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000595246721 1075420589 /nfs/dbraw/zinc/42/05/89/1075420589.db2.gz NJYTZKAALCQJSQ-UHFFFAOYSA-N -1 3 416.279 3.817 20 0 HHADHM O=S(=O)(CCc1ccccc1)[N-]c1cc(Br)ccc1-n1cccn1 ZINC000596064584 1075535518 /nfs/dbraw/zinc/53/55/18/1075535518.db2.gz RDHHHXCFUFZINT-UHFFFAOYSA-N -1 3 406.305 3.619 20 0 HHADHM CC(C)OC[C@H](OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)c1cccc(F)c1 ZINC000761167372 1075552165 /nfs/dbraw/zinc/55/21/65/1075552165.db2.gz GRUSQHWGRCERFE-SFHVURJKSA-N -1 3 413.442 3.659 20 0 HHADHM C[C@@H](C(=O)N(C)c1ccccc1)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000597070935 1075617440 /nfs/dbraw/zinc/61/74/40/1075617440.db2.gz MICZLWXDPGDOEP-HNNXBMFYSA-N -1 3 415.921 3.748 20 0 HHADHM COCCCCCOC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000761216549 1075633031 /nfs/dbraw/zinc/63/30/31/1075633031.db2.gz UURCPPDGDBCHKF-UHFFFAOYSA-N -1 3 409.479 3.908 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCN(C/C=C\c4ccccc4)CC3)nc2)n1 ZINC000597894154 1075726053 /nfs/dbraw/zinc/72/60/53/1075726053.db2.gz VQQCPSVBSLPORI-TWGQIWQCSA-N -1 3 401.514 3.642 20 0 HHADHM CC[C@H](CC(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)c1ccc(OC)cc1 ZINC001123372427 939822199 /nfs/dbraw/zinc/82/21/99/939822199.db2.gz SQDYWZHIDHJBKD-CJFMBICVSA-N -1 3 424.541 3.815 20 0 HHADHM CCc1oc2ccccc2c1C(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001263628370 939828887 /nfs/dbraw/zinc/82/88/87/939828887.db2.gz SCNAKCLKWQHJDQ-XMMPIXPASA-N -1 3 406.482 3.844 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCN([C@H](C)c4cccc(OC)c4)CC3)nc2)n1 ZINC000301155830 970777416 /nfs/dbraw/zinc/77/74/16/970777416.db2.gz AFGXNZFKJNNOHN-QGZVFWFLSA-N -1 3 419.529 3.698 20 0 HHADHM COC(=O)[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)Cc1cccc(C)c1 ZINC000553080076 1013052009 /nfs/dbraw/zinc/05/20/09/1013052009.db2.gz RRLYBHZLCNWQOE-CQSZACIVSA-N -1 3 416.326 3.612 20 0 HHADHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)c1ccccc1 ZINC000301454035 970936802 /nfs/dbraw/zinc/93/68/02/970936802.db2.gz BCMFKADJNATLOT-OAHLLOKOSA-N -1 3 406.857 3.940 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(NCCc3ccn(-c4ccc(F)cc4)n3)nc2)n1 ZINC000301477300 970949039 /nfs/dbraw/zinc/94/90/39/970949039.db2.gz XCHAWXBZROFDRD-UHFFFAOYSA-N -1 3 404.449 3.786 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](c3nccn3C)c3ccccc3OC)nc2)n1 ZINC000301499243 970958207 /nfs/dbraw/zinc/95/82/07/970958207.db2.gz CZHHKSCTSATXDU-NRFANRHFSA-N -1 3 416.485 3.750 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCN(Cc4ccccc4Cl)CC3)nc2)n1 ZINC000301720802 971041052 /nfs/dbraw/zinc/04/10/52/971041052.db2.gz PXRBASZEECKTQU-UHFFFAOYSA-N -1 3 409.921 3.782 20 0 HHADHM C[C@H](SCC(=O)NC1CCOCC1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000524249762 1013059990 /nfs/dbraw/zinc/05/99/90/1013059990.db2.gz BHDPXOIBHYCGJF-NSHDSACASA-N -1 3 419.528 3.746 20 0 HHADHM O=C(c1ccccc1[O-])N1CCN(c2nnc(-c3ccccc3Cl)s2)CC1 ZINC000302166095 971192994 /nfs/dbraw/zinc/19/29/94/971192994.db2.gz RKHULYXSQLCNDS-UHFFFAOYSA-N -1 3 400.891 3.527 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](c3cnn(C)c3)c3ccc(F)cc3)nc2)n1 ZINC000302391542 971231307 /nfs/dbraw/zinc/23/13/07/971231307.db2.gz JJOWCCDNCGJYHA-NRFANRHFSA-N -1 3 404.449 3.881 20 0 HHADHM O=C(c1ccc([O-])cc1)N1CCN(c2ccc3cc(Br)ccc3n2)CC1 ZINC000302635037 971267476 /nfs/dbraw/zinc/26/74/76/971267476.db2.gz KCIOLKWIZFOUJG-UHFFFAOYSA-N -1 3 412.287 3.665 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC(O)(c4ccccc4Cl)CC3)nc2)n1 ZINC000302841208 971346068 /nfs/dbraw/zinc/34/60/68/971346068.db2.gz LYYPARQENLQOCG-UHFFFAOYSA-N -1 3 410.905 3.948 20 0 HHADHM CNc1snc(C)c1C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000302902161 971381898 /nfs/dbraw/zinc/38/18/98/971381898.db2.gz VLUVRRCCTIISQW-UHFFFAOYSA-N -1 3 416.528 3.855 20 0 HHADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]Cc1cccc(F)c1 ZINC000302937126 971406345 /nfs/dbraw/zinc/40/63/45/971406345.db2.gz IQDKUQUGLNACNS-UHFFFAOYSA-N -1 3 408.676 3.729 20 0 HHADHM CCn1cc(CC(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)c2ccccc21 ZINC000302979494 971432048 /nfs/dbraw/zinc/43/20/48/971432048.db2.gz CSKWMTHPGKZAIN-UHFFFAOYSA-N -1 3 415.515 3.613 20 0 HHADHM COc1ccc(-c2nc([N-]C(=O)c3nc(-c4ccco4)sc3C)n[nH]2)c(OC)c1 ZINC000303152778 971530885 /nfs/dbraw/zinc/53/08/85/971530885.db2.gz VZJYCXUULIPUBF-UHFFFAOYSA-N -1 3 411.443 3.766 20 0 HHADHM Cc1ccccc1C1(CNC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)CC1 ZINC000303173304 971541885 /nfs/dbraw/zinc/54/18/85/971541885.db2.gz RPXWERVEKIAHCL-UHFFFAOYSA-N -1 3 418.534 3.673 20 0 HHADHM O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(Cl)c2)cc1 ZINC000303284867 971598516 /nfs/dbraw/zinc/59/85/16/971598516.db2.gz LDEODPTUTAWOJM-UHFFFAOYSA-N -1 3 419.934 3.868 20 0 HHADHM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cc(Cl)ccc1N1CCN(C)CC1 ZINC000303357411 971656241 /nfs/dbraw/zinc/65/62/41/971656241.db2.gz ILXXTWCQQDIGLD-UHFFFAOYSA-N -1 3 414.358 3.854 20 0 HHADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2Cl)CC1 ZINC000303427944 971710286 /nfs/dbraw/zinc/71/02/86/971710286.db2.gz BDBKPTQQMGZCQL-IAGOWNOFSA-N -1 3 419.308 3.787 20 0 HHADHM CN(C(=O)c1cc(Cc2ccccc2)ccc1[O-])[C@@H]1CCN(c2ccccc2F)C1=O ZINC000303474534 971775330 /nfs/dbraw/zinc/77/53/30/971775330.db2.gz IBXULSKUFIIUKC-JOCHJYFZSA-N -1 3 418.468 4.000 20 0 HHADHM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000303521362 971822143 /nfs/dbraw/zinc/82/21/43/971822143.db2.gz QFCYCPZTBPACOP-CYBMUJFWSA-N -1 3 412.964 3.507 20 0 HHADHM COc1ccccc1CN(Cc1cc(=O)oc2c(C)c([O-])ccc12)C[C@H]1CCCO1 ZINC000303586590 971879117 /nfs/dbraw/zinc/87/91/17/971879117.db2.gz GJAHYFMHKVZNLH-LJQANCHMSA-N -1 3 409.482 3.997 20 0 HHADHM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3cc(C(F)(F)F)ccc3F)cc21 ZINC000303649665 971928889 /nfs/dbraw/zinc/92/88/89/971928889.db2.gz TVJHMSPMQLFIAY-UHFFFAOYSA-N -1 3 402.369 3.554 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)NCCc3ccc(F)c(F)c3F)cc2)cc(=O)[n-]1 ZINC000542191608 1013133607 /nfs/dbraw/zinc/13/36/07/1013133607.db2.gz WYRNRFQFJXKXOW-UHFFFAOYSA-N -1 3 402.376 3.939 20 0 HHADHM COCCOc1ccc(S(=O)(=O)[N-]c2nc(C)c(Cl)cc2Cl)cc1C ZINC000537597920 1013139325 /nfs/dbraw/zinc/13/93/25/1013139325.db2.gz MPHYMPGQXGIHSM-UHFFFAOYSA-N -1 3 405.303 3.831 20 0 HHADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(-n3cnc4ccccc43)cc2)ccc1F ZINC000303901381 972470940 /nfs/dbraw/zinc/47/09/40/972470940.db2.gz SSUMLFHJDADDKP-UHFFFAOYSA-N -1 3 424.457 3.924 20 0 HHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N[C@H](COc1ccccc1)c1ccccc1 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ZINC000046843324 967987161 /nfs/dbraw/zinc/98/71/61/967987161.db2.gz HTIVIZRLZBOTIG-UHFFFAOYSA-N -1 3 419.696 3.893 20 0 HHADHM COc1cc([C@H](C)NC(=O)N[N-]C(=O)c2ccccc2F)ccc1OCC(C)C ZINC000047049079 968040718 /nfs/dbraw/zinc/04/07/18/968040718.db2.gz CWHBYYAVXUONCK-AWEZNQCLSA-N -1 3 403.454 3.574 20 0 HHADHM COc1cc([C@@H](C)NC(=O)N[N-]C(=O)c2ccccc2F)ccc1OCC(C)C ZINC000047049077 968040782 /nfs/dbraw/zinc/04/07/82/968040782.db2.gz CWHBYYAVXUONCK-CQSZACIVSA-N -1 3 403.454 3.574 20 0 HHADHM CCc1cc(NCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)nc(C)n1 ZINC000542949087 1013781567 /nfs/dbraw/zinc/78/15/67/1013781567.db2.gz UIBVDFUXYGAMCD-UHFFFAOYSA-N -1 3 400.479 3.899 20 0 HHADHM Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000047552846 968234814 /nfs/dbraw/zinc/23/48/14/968234814.db2.gz LVEUAHGKWDOXNE-UHFFFAOYSA-N -1 3 415.902 3.637 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H]3CCC3(C)C)c2)cc1 ZINC000554069453 1013784221 /nfs/dbraw/zinc/78/42/21/1013784221.db2.gz QTLWPENOZPXOJR-LJQANCHMSA-N -1 3 402.516 3.723 20 0 HHADHM C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])c1ccc(Br)cc1 ZINC000048015226 968390326 /nfs/dbraw/zinc/39/03/26/968390326.db2.gz PPSKKAVWJGEPFS-CXAGYDPISA-N -1 3 417.303 3.637 20 0 HHADHM COc1ccc(-c2nc(C(=O)[N-]c3n[nH]c(-c4ccccc4OC)n3)cs2)cc1 ZINC000048011940 968390671 /nfs/dbraw/zinc/39/06/71/968390671.db2.gz OYWAWOSDYNLYDU-UHFFFAOYSA-N -1 3 407.455 3.865 20 0 HHADHM Cc1ccc(SCC(=O)N[N-]C(=O)c2ccc(Br)cc2Cl)cc1 ZINC000048299358 968515490 /nfs/dbraw/zinc/51/54/90/968515490.db2.gz GWLWWNBUVGWAHG-UHFFFAOYSA-N -1 3 413.724 3.964 20 0 HHADHM O=C(NCCc1ccc(OCc2ccccc2)cc1)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000065799688 968649394 /nfs/dbraw/zinc/64/93/94/968649394.db2.gz FRGVGCMMMKQTHS-UHFFFAOYSA-N -1 3 415.449 3.513 20 0 HHADHM CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000065802838 968651537 /nfs/dbraw/zinc/65/15/37/968651537.db2.gz FEXLRNRYPLSVDN-UHFFFAOYSA-N -1 3 421.519 3.519 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NCc2ccc(SC)cc2)cc1OC ZINC000065821391 968662474 /nfs/dbraw/zinc/66/24/74/968662474.db2.gz XLKUGLXOTPTXNQ-UHFFFAOYSA-N -1 3 409.533 3.500 20 0 HHADHM CC[C@H](C)Oc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)cc1 ZINC000065870600 968691936 /nfs/dbraw/zinc/69/19/36/968691936.db2.gz TWBJXHIMLBZPOU-AWEZNQCLSA-N -1 3 408.495 3.942 20 0 HHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F ZINC000097176310 969099275 /nfs/dbraw/zinc/09/92/75/969099275.db2.gz BGZYNNSIWMPQDV-UHFFFAOYSA-N -1 3 424.692 3.934 20 0 HHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F ZINC000097176310 969099284 /nfs/dbraw/zinc/09/92/84/969099284.db2.gz BGZYNNSIWMPQDV-UHFFFAOYSA-N -1 3 424.692 3.934 20 0 HHADHM C[C@H](NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1cccc(C(F)(F)F)c1 ZINC000097395207 969131420 /nfs/dbraw/zinc/13/14/20/969131420.db2.gz GRDVPDSDAPQVFN-AWEZNQCLSA-N -1 3 421.419 3.640 20 0 HHADHM CC(C)C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H](C)C2)c(Cl)cc1Cl ZINC000098066442 969187899 /nfs/dbraw/zinc/18/78/99/969187899.db2.gz LIUAEBQADSSLFL-LBPRGKRZSA-N -1 3 407.363 3.800 20 0 HHADHM CCO[C@@H](C)C(=O)Nc1ccc(OC)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000108978022 969443637 /nfs/dbraw/zinc/44/36/37/969443637.db2.gz HDESRCAEZVMVFP-LBPRGKRZSA-N -1 3 412.895 3.513 20 0 HHADHM CC[C@H](NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O)c1ccc(Cl)cc1 ZINC000109188507 969476237 /nfs/dbraw/zinc/47/62/37/969476237.db2.gz LWHWDVMSXADZSF-IBGZPJMESA-N -1 3 410.905 3.994 20 0 HHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCN(c2ccc(Cl)cn2)CC1 ZINC000110229119 969640192 /nfs/dbraw/zinc/64/01/92/969640192.db2.gz BVZXSDIPGGCSME-UHFFFAOYSA-N -1 3 407.901 3.994 20 0 HHADHM O=C(CCNS(=O)(=O)c1ccc2ccccc2c1)Nc1cc(Cl)ccc1[O-] ZINC000111211165 969804477 /nfs/dbraw/zinc/80/44/77/969804477.db2.gz GIEJMUWCOGJOOK-UHFFFAOYSA-N -1 3 404.875 3.506 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(N(C)Cc3ccccc3OC(F)(F)F)nc2)n1 ZINC000111220951 969808224 /nfs/dbraw/zinc/80/82/24/969808224.db2.gz PSGZPLNYCHTMHO-UHFFFAOYSA-N -1 3 404.392 3.929 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](C)c3cc(OC)c(OC)c(OC)c3)nc2)n1 ZINC000111221930 969809079 /nfs/dbraw/zinc/80/90/79/969809079.db2.gz WFOUDCQBIDQCJC-ZDUSSCGKSA-N -1 3 410.474 3.593 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000115956327 969864581 /nfs/dbraw/zinc/86/45/81/969864581.db2.gz UOORXNPDWBTPRI-OAQYLSRUSA-N -1 3 422.916 3.994 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NCCc1ccc(C(C)C)cc1 ZINC000116344575 969887272 /nfs/dbraw/zinc/88/72/72/969887272.db2.gz IQUKYAHJVNIJIK-UHFFFAOYSA-N -1 3 404.514 3.555 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@H]1CCSc2c(F)cccc21 ZINC000116345357 969887514 /nfs/dbraw/zinc/88/75/14/969887514.db2.gz ISLXJCQTJWSSBK-GOSISDBHSA-N -1 3 424.501 3.565 20 0 HHADHM CCN(Cc1cccc(Cl)c1)C(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000116346281 969887571 /nfs/dbraw/zinc/88/75/71/969887571.db2.gz LPVVOZAFLSJHSC-UHFFFAOYSA-N -1 3 410.905 3.775 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccccc2N2C[C@H](C)O[C@@H](C)C2)cc1C ZINC000195700045 969966933 /nfs/dbraw/zinc/96/69/33/969966933.db2.gz ZIJYHMWPDZMFLO-IRXDYDNUSA-N -1 3 404.532 3.726 20 0 HHADHM CSCCCC[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000134856883 969975139 /nfs/dbraw/zinc/97/51/39/969975139.db2.gz BHDNAAHXIJYAAX-UHFFFAOYSA-N -1 3 417.188 3.633 20 0 HHADHM COC(=O)c1cc([N-]C(=O)c2cc([N+](=O)[O-])ccc2Br)c(F)cc1F ZINC000195719931 969980073 /nfs/dbraw/zinc/98/00/73/969980073.db2.gz MTHIPHMBJCYBFJ-UHFFFAOYSA-N -1 3 415.146 3.674 20 0 HHADHM CCOc1c(Br)cc(Br)cc1C=C1SC(=O)[N-]C1=O ZINC000211356285 970028253 /nfs/dbraw/zinc/02/82/53/970028253.db2.gz GFIKMIQKXMHQGZ-RUDMXATFSA-N -1 3 407.083 3.934 20 0 HHADHM O=c1nc(CN2CCN(CCc3ccccc3)CC2)[n-]c2scc(-c3ccco3)c21 ZINC000139583125 970037455 /nfs/dbraw/zinc/03/74/55/970037455.db2.gz GOTIUZQJUWREHJ-UHFFFAOYSA-N -1 3 420.538 3.605 20 0 HHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000139625181 970039560 /nfs/dbraw/zinc/03/95/60/970039560.db2.gz HGHPLAOMXUAZFM-IBGZPJMESA-N -1 3 413.271 3.504 20 0 HHADHM COCCOC(=O)c1sc2[n-]c(C(Cl)=Cc3cccc(F)c3)nc(=O)c2c1C ZINC000229903285 970133324 /nfs/dbraw/zinc/13/33/24/970133324.db2.gz PUAAXGYAODAXQI-UKTHLTGXSA-N -1 3 422.865 3.972 20 0 HHADHM Cc1cc(C)n([C@H](C)C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)n1 ZINC000148526825 970364135 /nfs/dbraw/zinc/36/41/35/970364135.db2.gz COTQEBBDTXYBGS-QGZVFWFLSA-N -1 3 412.515 3.809 20 0 HHADHM COc1cccc(NC(=O)C(C#N)=C([O-])c2ccnc(OCc3ccccc3)c2)c1 ZINC000149746702 970408446 /nfs/dbraw/zinc/40/84/46/970408446.db2.gz YAVUOJIDGLKRRZ-FQEVSTJZSA-N -1 3 401.422 3.630 20 0 HHADHM CC(=O)NCc1ccc(-c2nc([N-]C(=O)c3ccc([N+](=O)[O-])o3)sc2C)s1 ZINC000195532138 970495361 /nfs/dbraw/zinc/49/53/61/970495361.db2.gz ZFFZWZQPGGWEHS-UHFFFAOYSA-N -1 3 406.445 3.570 20 0 HHADHM CCOc1cc(C=NNC(=O)COc2cc(C)cc(C)c2)cc(Br)c1[O-] ZINC000254554824 970574269 /nfs/dbraw/zinc/57/42/69/970574269.db2.gz DWJIMDQKEOAQQO-UHFFFAOYSA-N -1 3 421.291 3.699 20 0 HHADHM O=S(=O)([N-]Cc1nc(-c2ccc(Cl)cc2)no1)c1ccc(Cl)cc1F ZINC000261472797 970707654 /nfs/dbraw/zinc/70/76/54/970707654.db2.gz YJKHPRJSKDZYNF-UHFFFAOYSA-N -1 3 402.234 3.661 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cnc2Br)cc1Cl ZINC000313668215 972635182 /nfs/dbraw/zinc/63/51/82/972635182.db2.gz ABWDAXMPIVGOGT-UHFFFAOYSA-N -1 3 412.092 3.960 20 0 HHADHM O=[N+]([O-])c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2Br)c1 ZINC000315759951 972646771 /nfs/dbraw/zinc/64/67/71/972646771.db2.gz OYXZCNILKNKAHJ-UHFFFAOYSA-N -1 3 409.620 3.951 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]Cc2ccc3c(c2)CCCN3)sc1Br ZINC000381506552 972781527 /nfs/dbraw/zinc/78/15/27/972781527.db2.gz UCGXNVUTWYDELY-UHFFFAOYSA-N -1 3 401.351 3.656 20 0 HHADHM C[C@@H]1CCN(C(=O)c2ccc(Br)c([O-])c2)CCN1Cc1ccccc1 ZINC000383071714 972789797 /nfs/dbraw/zinc/78/97/97/972789797.db2.gz NQKNXKPBWOMXGW-OAHLLOKOSA-N -1 3 403.320 3.891 20 0 HHADHM CCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cncc(Br)c2)c1 ZINC000390590421 972825435 /nfs/dbraw/zinc/82/54/35/972825435.db2.gz GGKCDOOZIBOJQS-UHFFFAOYSA-N -1 3 418.700 3.647 20 0 HHADHM CCc1ccc([C@H](C)[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])cc1 ZINC000391739598 972844546 /nfs/dbraw/zinc/84/45/46/972844546.db2.gz UCTUGWYQIYMALP-NSHDSACASA-N -1 3 413.293 3.959 20 0 HHADHM O=S(=O)([N-]c1ccc2c(c1)CNCCO2)c1c(Cl)cc(Cl)cc1Cl ZINC000392869738 972857392 /nfs/dbraw/zinc/85/73/92/972857392.db2.gz ZUTNRLNFKHIUGE-UHFFFAOYSA-N -1 3 407.706 3.930 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](Cn3ccccc3=O)c3ccccc3)nc2)n1 ZINC000409519390 972974973 /nfs/dbraw/zinc/97/49/73/972974973.db2.gz GCXLURVRLGPOCH-HXUWFJFHSA-N -1 3 413.481 3.822 20 0 HHADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H](C)Oc3ccc(Br)cc3)nc21 ZINC000409845556 973314196 /nfs/dbraw/zinc/31/41/96/973314196.db2.gz WIKXEGWSSGDOTJ-JTQLQIEISA-N -1 3 418.247 3.518 20 0 HHADHM COc1cccc(Cc2nnc([N-]C(=O)c3cc(Br)cs3)s2)c1 ZINC000410310565 973853112 /nfs/dbraw/zinc/85/31/12/973853112.db2.gz XPCDXDQDVLDIFU-UHFFFAOYSA-N -1 3 410.318 4.214 20 0 HHADHM Cc1cc(O[C@H]2CCN(C)C2=O)ccc1[N-]S(=O)(=O)c1ccccc1C(C)(C)C ZINC000410406741 974006515 /nfs/dbraw/zinc/00/65/15/974006515.db2.gz IVAQZZFVXOUVOH-IBGZPJMESA-N -1 3 416.543 3.703 20 0 HHADHM Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000410409662 974008143 /nfs/dbraw/zinc/00/81/43/974008143.db2.gz XWIYFKRLENWKOU-HXUWFJFHSA-N -1 3 416.543 3.703 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N[C@@H](C)c3cc(C)cc(C)c3)c2)n1 ZINC000410410176 974009005 /nfs/dbraw/zinc/00/90/05/974009005.db2.gz HBOQQNRHIWDXGD-INIZCTEOSA-N -1 3 418.497 3.844 20 0 HHADHM COc1cc(Br)c(CNCC[C@H](Cc2ccccc2)C(=O)[O-])c(OC)c1 ZINC000426640790 974578109 /nfs/dbraw/zinc/57/81/09/974578109.db2.gz VGYCIMDXIWJCNV-OAHLLOKOSA-N -1 3 422.319 3.890 20 0 HHADHM COc1ccc(CNC[C@H](Cc2ccc(C)cc2)C(=O)[O-])c(Br)c1O ZINC000426642650 974578589 /nfs/dbraw/zinc/57/85/89/974578589.db2.gz KGKYRWSEJKKYPF-HNNXBMFYSA-N -1 3 408.292 3.505 20 0 HHADHM COc1ccc(C[NH2+]C[C@H](Cc2ccc(C)cc2)C(=O)[O-])c(Br)c1[O-] ZINC000426642650 974578597 /nfs/dbraw/zinc/57/85/97/974578597.db2.gz KGKYRWSEJKKYPF-HNNXBMFYSA-N -1 3 408.292 3.505 20 0 HHADHM Cc1ccc(-c2nc(CNC3CCN(c4cc(C(=O)[O-])ccn4)CC3)cs2)cc1 ZINC000426642211 974578885 /nfs/dbraw/zinc/57/88/85/974578885.db2.gz GHJWHPXNARPAIJ-UHFFFAOYSA-N -1 3 408.527 3.970 20 0 HHADHM COc1cc2c(c(CN[C@@H](CSCCc3ccccc3)C(=O)[O-])c1)O[C@@H](C)C2 ZINC000426743834 974629915 /nfs/dbraw/zinc/62/99/15/974629915.db2.gz PHXWGJINLMWYDF-YWZLYKJASA-N -1 3 401.528 3.537 20 0 HHADHM O=C([O-])[C@H](CCCc1ccccc1)NCc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000426822200 974687533 /nfs/dbraw/zinc/68/75/33/974687533.db2.gz AJSGVUVAWKEPOD-IBGZPJMESA-N -1 3 402.857 3.626 20 0 HHADHM COC1CCC(CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)CC1 ZINC000427059872 974866260 /nfs/dbraw/zinc/86/62/60/974866260.db2.gz CRARETGEETXOFQ-UHFFFAOYSA-N -1 3 420.506 3.562 20 0 HHADHM Cc1cnc([C@H](C)NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)s1 ZINC000427082361 974887824 /nfs/dbraw/zinc/88/78/24/974887824.db2.gz WGCFKRZUJVJCGG-ZDUSSCGKSA-N -1 3 419.503 3.882 20 0 HHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NC[C@@H](Cc1ccccc1)C(F)(F)F ZINC000427091050 974894988 /nfs/dbraw/zinc/89/49/88/974894988.db2.gz BEXWPBZPPRRBGY-CQSZACIVSA-N -1 3 418.419 3.702 20 0 HHADHM Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)Nc1c(C)[nH]c(=O)[n-]c1=O ZINC000427137379 974932669 /nfs/dbraw/zinc/93/26/69/974932669.db2.gz QPNBPUNLIWKKKG-UHFFFAOYSA-N -1 3 418.862 3.724 20 0 HHADHM Cc1cc2cc([N-]S(=O)(=O)c3ccc(OCC(C)C)cc3)ccc2n(C)c1=O ZINC000427299937 975036169 /nfs/dbraw/zinc/03/61/69/975036169.db2.gz AVJYPCSGGLNTAP-UHFFFAOYSA-N -1 3 400.500 3.683 20 0 HHADHM COC(=O)C1(CS(=O)(=O)[N-]c2cc(F)c(Br)cc2C)CCCCC1 ZINC000427353016 975072453 /nfs/dbraw/zinc/07/24/53/975072453.db2.gz VDAIHDOXVNJOPI-UHFFFAOYSA-N -1 3 422.316 3.762 20 0 HHADHM COc1cccc(CC2(C(=O)Nc3cc4c(cc3[O-])n(C)c(=O)n4C)CCCCC2)c1 ZINC000428017670 975388649 /nfs/dbraw/zinc/38/86/49/975388649.db2.gz OLAQTTRAQGKYOZ-UHFFFAOYSA-N -1 3 423.513 3.723 20 0 HHADHM O=C(N[C@H]1CSc2ccc(Br)cc21)c1cc(=O)c2ccccc2[n-]1 ZINC000428208911 975533421 /nfs/dbraw/zinc/53/34/21/975533421.db2.gz XJZAKSAMTOHVRK-HNNXBMFYSA-N -1 3 401.285 3.867 20 0 HHADHM Cc1nc(C)c(CCC(=O)N[C@@H]2c3cccc(Br)c3CC2(C)C)c(=O)[n-]1 ZINC000428768091 976039544 /nfs/dbraw/zinc/03/95/44/976039544.db2.gz YWYVTXDIPKFBFK-GOSISDBHSA-N -1 3 418.335 3.934 20 0 HHADHM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1CCN(CC(F)(F)F)CC1 ZINC000429324437 976591008 /nfs/dbraw/zinc/59/10/08/976591008.db2.gz CCHOGALJSGIYPN-JTQLQIEISA-N -1 3 419.296 3.935 20 0 HHADHM CC(C)(C)c1ccc(Cn2nccc2NC(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000429601577 976881824 /nfs/dbraw/zinc/88/18/24/976881824.db2.gz ZPEIBMWLPMIFOL-UHFFFAOYSA-N -1 3 421.427 3.688 20 0 HHADHM COc1cc(Cl)c(Br)cc1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000429727532 977017352 /nfs/dbraw/zinc/01/73/52/977017352.db2.gz BYUVQETYPDHGBU-UHFFFAOYSA-N -1 3 408.643 3.544 20 0 HHADHM COc1cc(Cl)c(Br)cc1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000429727532 977017363 /nfs/dbraw/zinc/01/73/63/977017363.db2.gz BYUVQETYPDHGBU-UHFFFAOYSA-N -1 3 408.643 3.544 20 0 HHADHM O=S(=O)([N-][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1cc(Cl)ccc1Br ZINC000429826759 977096849 /nfs/dbraw/zinc/09/68/49/977096849.db2.gz GVDKMCIEELDZQU-GLQYFDAESA-N -1 3 420.756 3.729 20 0 HHADHM O=S(=O)([N-][C@H](CCO)c1ccccc1)c1cc(Cl)ccc1Br ZINC000429830246 977099623 /nfs/dbraw/zinc/09/96/23/977099623.db2.gz MYRMABNAJNAYRS-CQSZACIVSA-N -1 3 404.713 3.505 20 0 HHADHM O=S(=O)([N-][C@H]1CCCC[C@@H]1n1cccn1)c1cc(Cl)ccc1Br ZINC000429860309 977131761 /nfs/dbraw/zinc/13/17/61/977131761.db2.gz LROWUZKCPARPIL-KBPBESRZSA-N -1 3 418.744 3.761 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N[C@@H]1CC12CCCC2 ZINC000430245409 977415511 /nfs/dbraw/zinc/41/55/11/977415511.db2.gz SLGIRDWMSPOPLW-LJQANCHMSA-N -1 3 402.491 3.997 20 0 HHADHM CNC(=O)c1cccc(NC(=O)c2c[n-]c3ccc(Oc4ccccc4)cc3c2=O)c1 ZINC000430419021 977533576 /nfs/dbraw/zinc/53/35/76/977533576.db2.gz YVWWHNHZIYWSNY-UHFFFAOYSA-N -1 3 413.433 3.932 20 0 HHADHM CC[C@@H](CNC(=O)CCc1c(C)nc(C)[n-]c1=O)Oc1cccc(C(F)(F)F)c1 ZINC000430504958 977605556 /nfs/dbraw/zinc/60/55/56/977605556.db2.gz ZLFSQHNNNCUIFS-HNNXBMFYSA-N -1 3 411.424 3.724 20 0 HHADHM CC[C@H](NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O)c1ncc[nH]1 ZINC000430562633 977632766 /nfs/dbraw/zinc/63/27/66/977632766.db2.gz FOZQFSCTOQIPPM-LBPRGKRZSA-N -1 3 409.671 3.548 20 0 HHADHM O=C(c1c[n-]c2c(Cl)cc(Br)cc2c1=O)N1CCC[C@@H]1c1ncc[nH]1 ZINC000430585118 977644636 /nfs/dbraw/zinc/64/46/36/977644636.db2.gz QYVVWKYCDMFALJ-CYBMUJFWSA-N -1 3 421.682 3.644 20 0 HHADHM CCC[C@@H]1CN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)CCO1 ZINC000430587603 977646503 /nfs/dbraw/zinc/64/65/03/977646503.db2.gz WPPFEUJTJFCZAF-LLVKDONJSA-N -1 3 413.699 3.585 20 0 HHADHM CC[C@@H](NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O)[C@@H]1CCCO1 ZINC000430589671 977647491 /nfs/dbraw/zinc/64/74/91/977647491.db2.gz AUEUBJFQRNTVKU-KGLIPLIRSA-N -1 3 413.699 3.631 20 0 HHADHM CC[C@@H]1CO[C@H](C)CN1C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430592162 977648410 /nfs/dbraw/zinc/64/84/10/977648410.db2.gz CGMIOYHRTQANCY-MWLCHTKSSA-N -1 3 413.699 3.584 20 0 HHADHM C[C@@H]1CN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)[C@@H](C)[C@H](C)O1 ZINC000430603852 977652263 /nfs/dbraw/zinc/65/22/63/977652263.db2.gz LNKDALBOKVQEGB-UTLUCORTSA-N -1 3 413.699 3.582 20 0 HHADHM O=C(NCCc1cccc(O)c1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430656673 977671085 /nfs/dbraw/zinc/67/10/85/977671085.db2.gz UGKPICUCUXKWIL-UHFFFAOYSA-N -1 3 421.678 3.622 20 0 HHADHM CN(CCCC(=O)[O-])CC(=O)N(Cc1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000430667603 977679456 /nfs/dbraw/zinc/67/94/56/977679456.db2.gz WASZITSPCNFDJS-UHFFFAOYSA-N -1 3 416.537 3.920 20 0 HHADHM Cc1nc(-c2ccc(N3C(=O)[C@H]4C[C@H](C5CCCCC5)CN4C3=O)cc2)cc(=O)[n-]1 ZINC000430939844 977901973 /nfs/dbraw/zinc/90/19/73/977901973.db2.gz HXAUGRITJIYOBG-FXAWDEMLSA-N -1 3 406.486 3.895 20 0 HHADHM CCc1c([N-]C(=O)C(=O)c2c(C)nn(-c3ccccc3)c2C)onc1C(F)(F)F ZINC000431390768 978264448 /nfs/dbraw/zinc/26/44/48/978264448.db2.gz LEUWTWGIZYOPAC-UHFFFAOYSA-N -1 3 406.364 3.880 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CCC[C@H](c3ccccc3)C2)cc1OC ZINC000431716928 978455535 /nfs/dbraw/zinc/45/55/35/978455535.db2.gz CTOWQGHNXNQZBI-KRWDZBQOSA-N -1 3 417.531 3.868 20 0 HHADHM Cc1ccc(CNC(=O)C2CCN(C(=O)c3cc([O-])ccc3Cl)CC2)cc1F ZINC000431737706 978470933 /nfs/dbraw/zinc/47/09/33/978470933.db2.gz HDQSLSFHOFXNTH-UHFFFAOYSA-N -1 3 404.869 3.662 20 0 HHADHM COC(=O)c1cc(S(=O)(=O)[N-]C(C)(C)c2cccc(C(F)(F)F)c2)oc1C ZINC000431807158 978527790 /nfs/dbraw/zinc/52/77/90/978527790.db2.gz FVHDCHQXJTYVTO-UHFFFAOYSA-N -1 3 405.394 3.607 20 0 HHADHM C[C@@H]([N-]S(=O)(=O)c1cccc(C(F)(F)F)c1)c1noc(Cc2ccccc2)n1 ZINC000431902078 978587492 /nfs/dbraw/zinc/58/74/92/978587492.db2.gz ZZTJJZJPWDIUBV-GFCCVEGCSA-N -1 3 411.405 3.719 20 0 HHADHM C[C@H]([N-]S(=O)(=O)c1cccc2cccnc21)c1noc(-c2ccc(Cl)cc2)n1 ZINC000431913368 978596498 /nfs/dbraw/zinc/59/64/98/978596498.db2.gz UGFPPSQRUNLXGW-LBPRGKRZSA-N -1 3 414.874 3.978 20 0 HHADHM O=C1CCc2cc(Cl)c([N-]S(=O)(=O)c3ccc(OCC(F)(F)F)nc3)cc21 ZINC000432078794 978671208 /nfs/dbraw/zinc/67/12/08/978671208.db2.gz LWSRCFLEBONANU-UHFFFAOYSA-N -1 3 420.796 3.606 20 0 HHADHM O=C1CCCc2cc(S(=O)(=O)[N-][C@@H](c3ccc(F)cc3)C(F)(F)F)ccc21 ZINC000432184456 978704443 /nfs/dbraw/zinc/70/44/43/978704443.db2.gz GBCPIMJZBQWBBJ-KRWDZBQOSA-N -1 3 401.381 3.927 20 0 HHADHM O=S(=O)([N-][C@@H](c1ccccc1)C1(CO)CCC1)c1ccc(Br)s1 ZINC000432280155 978741478 /nfs/dbraw/zinc/74/14/78/978741478.db2.gz NMUPZYAUZNOJIK-HNNXBMFYSA-N -1 3 416.362 3.693 20 0 HHADHM Cc1nc([C@@](C)([N-]S(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)C2CC2)no1 ZINC000432280802 978741990 /nfs/dbraw/zinc/74/19/90/978741990.db2.gz UYSZCYVKNGNCAS-IBGZPJMESA-N -1 3 420.560 3.889 20 0 HHADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]CC[C@H](c1ccccc1)C(F)(F)F ZINC000432304229 978753765 /nfs/dbraw/zinc/75/37/65/978753765.db2.gz WNNUOARGLPPUAL-OAHLLOKOSA-N -1 3 419.396 3.627 20 0 HHADHM C[C@H]1CC2(CCC2)CN1C(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000432603741 978908873 /nfs/dbraw/zinc/90/88/73/978908873.db2.gz WPLUZVVJSDKPGR-NSHDSACASA-N -1 3 422.266 3.537 20 0 HHADHM COC(=O)c1cnc(SCC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)[n-]1 ZINC000432655817 978926843 /nfs/dbraw/zinc/92/68/43/978926843.db2.gz JEYKDHWCTVBUGB-SFHVURJKSA-N -1 3 415.902 3.848 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3ncn(C)n3)c2)cc1C(C)C ZINC000432781158 978972790 /nfs/dbraw/zinc/97/27/90/978972790.db2.gz QEDZRKXMHUUGSG-UHFFFAOYSA-N -1 3 400.504 3.723 20 0 HHADHM CCC[C@](C)(O)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(OCC)cc2)c1 ZINC000432839159 978988634 /nfs/dbraw/zinc/98/86/34/978988634.db2.gz JZTLMIOMJWVPNI-NRFANRHFSA-N -1 3 420.531 3.684 20 0 HHADHM Cc1nc([C@@H]2CCCOC2)sc1C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000432892353 979002874 /nfs/dbraw/zinc/00/28/74/979002874.db2.gz VRYAXCHTNJLTCX-OAHLLOKOSA-N -1 3 410.499 3.657 20 0 HHADHM CCCc1ccccc1NC(=O)NCc1cccc(-c2nnc(C(=O)OCC)[n-]2)c1 ZINC000432917039 979010879 /nfs/dbraw/zinc/01/08/79/979010879.db2.gz ZBPCKTJZFZWSKB-UHFFFAOYSA-N -1 3 407.474 3.923 20 0 HHADHM CCCc1ccccc1NC(=O)NCc1cccc(-c2n[n-]c(C(=O)OCC)n2)c1 ZINC000432917039 979010884 /nfs/dbraw/zinc/01/08/84/979010884.db2.gz ZBPCKTJZFZWSKB-UHFFFAOYSA-N -1 3 407.474 3.923 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@H]1CC(C)(C)c2ccccc21 ZINC000433321680 979235491 /nfs/dbraw/zinc/23/54/91/979235491.db2.gz ODLXWLHOTPIJDE-HXUWFJFHSA-N -1 3 402.498 3.612 20 0 HHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCCC(C)C)cc2)cc1C(=O)N(C)C ZINC000433490966 979334565 /nfs/dbraw/zinc/33/45/65/979334565.db2.gz KLYXPIMAGGJJFM-UHFFFAOYSA-N -1 3 404.532 3.923 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)Nc3c(C)cccc3Cl)c2)[n-]1 ZINC000433559624 979384378 /nfs/dbraw/zinc/38/43/78/979384378.db2.gz IHXKPAXGIIEWHD-UHFFFAOYSA-N -1 3 413.865 3.932 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)Nc3c(C)cccc3Cl)c2)n[n-]1 ZINC000433559624 979384384 /nfs/dbraw/zinc/38/43/84/979384384.db2.gz IHXKPAXGIIEWHD-UHFFFAOYSA-N -1 3 413.865 3.932 20 0 HHADHM CN(C)[C@H](C[N-]S(=O)(=O)c1cc(Br)sc1Cl)c1ccccc1 ZINC000433622869 979432783 /nfs/dbraw/zinc/43/27/83/979432783.db2.gz DPRAMLAUVUQENP-LLVKDONJSA-N -1 3 423.785 3.745 20 0 HHADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1cc(Br)sc1Cl)c1ccccc1 ZINC000433622871 979432978 /nfs/dbraw/zinc/43/29/78/979432978.db2.gz DPRAMLAUVUQENP-NSHDSACASA-N -1 3 423.785 3.745 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3[nH]c(C4CCC4)nc3c2)cc1OC ZINC000433811345 979592671 /nfs/dbraw/zinc/59/26/71/979592671.db2.gz JFJIVPJXXBMIGM-UHFFFAOYSA-N -1 3 401.488 3.957 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2nc(-c3ccccc3)c(C(C)C)s2)c(C)o1 ZINC000433948375 979706776 /nfs/dbraw/zinc/70/67/76/979706776.db2.gz KMOOGTRQBIISHP-UHFFFAOYSA-N -1 3 419.528 3.995 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccccc2Oc2cccc(C)c2)c(C)o1 ZINC000434008434 979755456 /nfs/dbraw/zinc/75/54/56/979755456.db2.gz MYSHIBAWCQRCOI-UHFFFAOYSA-N -1 3 414.483 3.527 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)N[C@@H](C)c3cccc(C)c3C)c2)[n-]1 ZINC000434188255 979954075 /nfs/dbraw/zinc/95/40/75/979954075.db2.gz GREWADGRKLCATN-INIZCTEOSA-N -1 3 421.501 3.826 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)N[C@@H](C)c3cccc(C)c3C)c2)n[n-]1 ZINC000434188255 979954080 /nfs/dbraw/zinc/95/40/80/979954080.db2.gz GREWADGRKLCATN-INIZCTEOSA-N -1 3 421.501 3.826 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCCCC[C@@H]2c2ccc(Cl)cc2)c(C)o1 ZINC000434272189 980033542 /nfs/dbraw/zinc/03/35/42/980033542.db2.gz RQPMABMVSKRFOW-QGZVFWFLSA-N -1 3 410.923 3.907 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(C)ccc2F)c(I)c1 ZINC000434633229 980309680 /nfs/dbraw/zinc/30/96/80/980309680.db2.gz FSDHJTXLMPNCKH-UHFFFAOYSA-N -1 3 421.231 3.548 20 0 HHADHM O=S(=O)([N-]Cc1nc2ccccc2s1)c1cc(F)ccc1Br ZINC000434958385 980531793 /nfs/dbraw/zinc/53/17/93/980531793.db2.gz FHIYDYAISBLHJW-UHFFFAOYSA-N -1 3 401.282 3.676 20 0 HHADHM CN(C)[C@@H]1CCOc2c(NC(=O)C(=O)Nc3cc(Cl)c([O-])c(Cl)c3)cccc21 ZINC000434990082 980553521 /nfs/dbraw/zinc/55/35/21/980553521.db2.gz HAFUNTMBZXZKBM-OAHLLOKOSA-N -1 3 424.284 3.661 20 0 HHADHM O=S(=O)([N-]c1cc2c(cc1Cl)OCCO2)c1cc(F)ccc1Br ZINC000435129162 980660742 /nfs/dbraw/zinc/66/07/42/980660742.db2.gz IIGDIQXFBOXYCM-UHFFFAOYSA-N -1 3 422.659 3.814 20 0 HHADHM Cc1ccc2c(CC[N-]S(=O)(=O)c3cc(F)ccc3Br)c[nH]c2c1 ZINC000435206202 980721296 /nfs/dbraw/zinc/72/12/96/980721296.db2.gz GOFHYNOAHKUZRU-UHFFFAOYSA-N -1 3 411.296 3.899 20 0 HHADHM Cc1nc(C)c(CCC(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)c(=O)[n-]1 ZINC000435388815 980833103 /nfs/dbraw/zinc/83/31/03/980833103.db2.gz IXEQZUMIZFLKAJ-GFCCVEGCSA-N -1 3 414.453 3.613 20 0 HHADHM CC[C@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)c1nnc2n1CCCCC2 ZINC000435420883 980854116 /nfs/dbraw/zinc/85/41/16/980854116.db2.gz GHGYFSXYDYDAJG-ZDUSSCGKSA-N -1 3 421.325 3.880 20 0 HHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H]2CCOC[C@@H]2C)cc1 ZINC000435553439 980938356 /nfs/dbraw/zinc/93/83/56/980938356.db2.gz FKCVBNAKCSQLCF-LPHOPBHVSA-N -1 3 402.516 3.715 20 0 HHADHM CC(C)(CC(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O)C(F)(F)F ZINC000435677501 980983516 /nfs/dbraw/zinc/98/35/16/980983516.db2.gz GYINVEXEBPNNSZ-UHFFFAOYSA-N -1 3 406.348 3.994 20 0 HHADHM CS(=O)(=O)c1ccsc1[N-]C(=O)c1cc(Cl)cc(Br)c1F ZINC000435855941 981062207 /nfs/dbraw/zinc/06/22/07/981062207.db2.gz LQVGVMGGESJIJH-UHFFFAOYSA-N -1 3 412.689 3.959 20 0 HHADHM CCCCc1nc(NC(=O)Cn2cc(-c3ccccc3)c(C)n2)c(C(=O)OCC)[n-]1 ZINC000436002357 981144825 /nfs/dbraw/zinc/14/48/25/981144825.db2.gz QCVBSLHAGLHFJM-UHFFFAOYSA-N -1 3 409.490 3.740 20 0 HHADHM Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)N1CCc2c(=O)[n-]cnc2C1 ZINC000436105805 981202867 /nfs/dbraw/zinc/20/28/67/981202867.db2.gz XNRQYSAGYZFAOA-UHFFFAOYSA-N -1 3 405.241 3.651 20 0 HHADHM Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000436150634 981222342 /nfs/dbraw/zinc/22/23/42/981222342.db2.gz FYVMCGKWRREGGH-UHFFFAOYSA-N -1 3 405.241 3.651 20 0 HHADHM C[C@H]([N-]S(=O)(=O)Cc1cccc2cccnc21)c1nc(C2CCCCC2)no1 ZINC000436174246 981234621 /nfs/dbraw/zinc/23/46/21/981234621.db2.gz UWHSHTLSWWWEJR-AWEZNQCLSA-N -1 3 400.504 3.846 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCC[C@@H]3C)c2)cc1 ZINC000436208212 981250136 /nfs/dbraw/zinc/25/01/36/981250136.db2.gz IXNIFYUVRBELIS-INIZCTEOSA-N -1 3 402.516 3.819 20 0 HHADHM Cc1ncc(-c2ccccc2)cc1NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436523069 981415979 /nfs/dbraw/zinc/41/59/79/981415979.db2.gz ZETSOEKNXAMHAA-UHFFFAOYSA-N -1 3 416.481 3.753 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCCc1cc(F)ccc1F ZINC000436526026 981418226 /nfs/dbraw/zinc/41/82/26/981418226.db2.gz IBRQDTNUDWAGBQ-QFIPXVFZSA-N -1 3 424.447 3.891 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCCC2(CCOCC2)C1 ZINC000436525908 981418437 /nfs/dbraw/zinc/41/84/37/981418437.db2.gz HJWGONSIWRTJAA-QFIPXVFZSA-N -1 3 422.525 3.673 20 0 HHADHM CCCOc1cc(C)ccc1NC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436526858 981419324 /nfs/dbraw/zinc/41/93/24/981419324.db2.gz GUAYFDIQDBEPAD-UHFFFAOYSA-N -1 3 411.502 3.916 20 0 HHADHM Cc1cnc(CCN(C)C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)s1 ZINC000436530454 981422601 /nfs/dbraw/zinc/42/26/01/981422601.db2.gz CCQYRZSLJFOSPD-FQEVSTJZSA-N -1 3 423.538 3.719 20 0 HHADHM CC[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436531715 981424213 /nfs/dbraw/zinc/42/42/13/981424213.db2.gz DNJXBKVAEZMVNV-RDTXWAMCSA-N -1 3 400.500 3.614 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCc2ccsc2C1 ZINC000436533296 981425036 /nfs/dbraw/zinc/42/50/36/981425036.db2.gz INHNRHQZSBGGDS-FQEVSTJZSA-N -1 3 406.507 3.900 20 0 HHADHM CC(C)(C)[C@@H]1C[C@@H](NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCO1 ZINC000436536739 981427460 /nfs/dbraw/zinc/42/74/60/981427460.db2.gz QAYWZZAQEHVDSD-BVSLBCMMSA-N -1 3 424.541 3.963 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCc2c(F)cccc2C1 ZINC000436536736 981427612 /nfs/dbraw/zinc/42/76/12/981427612.db2.gz PYUKVGMWHGIYDL-QHCPKHFHSA-N -1 3 418.468 3.977 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCc1cc(Cl)ccn1 ZINC000436539009 981428908 /nfs/dbraw/zinc/42/89/08/981428908.db2.gz UVIKIWYWLUIPGR-FQEVSTJZSA-N -1 3 409.873 3.618 20 0 HHADHM NC(=O)c1ccn(-c2ccccc2NC(=O)c2cc(Oc3ccccc3)ccc2[O-])n1 ZINC000436542135 981431006 /nfs/dbraw/zinc/43/10/06/981431006.db2.gz DODIGDBONBNXAW-UHFFFAOYSA-N -1 3 414.421 3.721 20 0 HHADHM Cc1ccc(C(=O)N(C(C)C)C2CCN(C(=O)c3ccc(C)cc3O)CC2)c([O-])c1 ZINC000436542688 981431846 /nfs/dbraw/zinc/43/18/46/981431846.db2.gz IEVDNCWDVHYZPZ-UHFFFAOYSA-N -1 3 410.514 3.870 20 0 HHADHM Cc1ccc(C(=O)N2CCC(N(C(=O)c3ccc(C)cc3O)C(C)C)CC2)c([O-])c1 ZINC000436542688 981431850 /nfs/dbraw/zinc/43/18/50/981431850.db2.gz IEVDNCWDVHYZPZ-UHFFFAOYSA-N -1 3 410.514 3.870 20 0 HHADHM NC(=O)[C@H]1CCCN(Cc2ccccc2NC(=O)c2ccc(Cl)c(Cl)c2[O-])C1 ZINC000436543605 981432773 /nfs/dbraw/zinc/43/27/73/981432773.db2.gz MJCKYVMIHFMGKB-ZDUSSCGKSA-N -1 3 422.312 3.649 20 0 HHADHM C[C@H](NC(=O)c1cc(Oc2ccccc2)ccc1[O-])c1nnnn1-c1ccccc1 ZINC000436551729 981437297 /nfs/dbraw/zinc/43/72/97/981437297.db2.gz RQZWQAPNIHPYPB-HNNXBMFYSA-N -1 3 401.426 3.651 20 0 HHADHM CC1(C)Cc2ccc(C(=O)Nc3cccc(C(=O)NCc4ccccn4)c3)c([O-])c2O1 ZINC000436552788 981438191 /nfs/dbraw/zinc/43/81/91/981438191.db2.gz BEYHSZSKOAJMLD-UHFFFAOYSA-N -1 3 417.465 3.683 20 0 HHADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000436552857 981438507 /nfs/dbraw/zinc/43/85/07/981438507.db2.gz ASHATHPQXHWHHC-DLBZAZTESA-N -1 3 419.308 3.787 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000436553975 981439599 /nfs/dbraw/zinc/43/95/99/981439599.db2.gz FKTONPUNBWHFGT-QZNHQXDQSA-N -1 3 422.525 3.529 20 0 HHADHM CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436560426 981444681 /nfs/dbraw/zinc/44/46/81/981444681.db2.gz FQLPFCRAHQRQOU-ZRBLBEILSA-N -1 3 424.541 3.963 20 0 HHADHM CCO[C@H]1C[C@H](O)C12CCN(C(=O)c1cc(CCc3ccccc3)ccc1[O-])CC2 ZINC000436564902 981447740 /nfs/dbraw/zinc/44/77/40/981447740.db2.gz PZEMSYQXXYCLCG-GOTSBHOMSA-N -1 3 409.526 3.570 20 0 HHADHM O=C(Nc1nncs1)C1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000436565278 981447787 /nfs/dbraw/zinc/44/77/87/981447787.db2.gz UWPHOWYYLLJYSQ-UHFFFAOYSA-N -1 3 424.482 3.527 20 0 HHADHM CN(Cc1ccc(S(C)(=O)=O)cc1)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436565241 981447901 /nfs/dbraw/zinc/44/79/01/981447901.db2.gz ULHMDBMKIZXMSL-UHFFFAOYSA-N -1 3 411.479 3.860 20 0 HHADHM CCc1ccc([C@@H](NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)C(C)C)cc1 ZINC000436575673 981454889 /nfs/dbraw/zinc/45/48/89/981454889.db2.gz JLGZDIGCFQSTAN-QFIPXVFZSA-N -1 3 409.530 3.819 20 0 HHADHM O=C(c1cccs1)N1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000436583555 981459989 /nfs/dbraw/zinc/45/99/89/981459989.db2.gz OBNMAYSYVWWJJH-UHFFFAOYSA-N -1 3 420.534 3.837 20 0 HHADHM O=C(C[C@H]1COCCN1C(=O)c1cc(Cc2ccccc2)ccc1[O-])c1ccco1 ZINC000436584653 981460153 /nfs/dbraw/zinc/46/01/53/981460153.db2.gz JONYWCQXTIGXDR-IBGZPJMESA-N -1 3 405.450 3.690 20 0 HHADHM O=C(NC1CCN(C(=O)c2ccoc2)CC1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436597559 981466142 /nfs/dbraw/zinc/46/61/42/981466142.db2.gz QJQFCDZIWVPDTO-UHFFFAOYSA-N -1 3 404.466 3.611 20 0 HHADHM O=C(c1ccccc1[O-])N1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000436597387 981466210 /nfs/dbraw/zinc/46/62/10/981466210.db2.gz PTCQMMVAQDOYON-UHFFFAOYSA-N -1 3 416.521 3.956 20 0 HHADHM Cn1cc(C(=O)C[C@@H]2CCCN2C(=O)c2cc(Oc3ccccc3)ccc2[O-])cn1 ZINC000436602543 981469132 /nfs/dbraw/zinc/46/91/32/981469132.db2.gz LRTWTPZLCKFUEL-KRWDZBQOSA-N -1 3 405.454 3.796 20 0 HHADHM C[C@H](O)C[C@@H]1CCCCCN1C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436607267 981471748 /nfs/dbraw/zinc/47/17/48/981471748.db2.gz IFDACVZFGYDVIZ-HARLFGEKSA-N -1 3 424.541 3.796 20 0 HHADHM CCS(=O)(=O)Nc1ccc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])cc1 ZINC000436613320 981474632 /nfs/dbraw/zinc/47/46/32/981474632.db2.gz PQVYBQNEFBQQMX-UHFFFAOYSA-N -1 3 410.495 3.997 20 0 HHADHM C[C@H](c1nc(-c2ccc(Cl)cc2)no1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436616937 981476683 /nfs/dbraw/zinc/47/66/83/981476683.db2.gz LLFMOAXDSHVAKK-CQSZACIVSA-N -1 3 412.877 3.615 20 0 HHADHM CCC(C)(C)NC(=O)c1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000436617879 981477254 /nfs/dbraw/zinc/47/72/54/981477254.db2.gz PGYOOYMTHBWAAQ-LJQANCHMSA-N -1 3 423.513 3.554 20 0 HHADHM COc1ccc(CNC(=O)c2cc(Cc3ccccc3)ccc2[O-])cc1NC(C)=O ZINC000436618271 981477311 /nfs/dbraw/zinc/47/73/11/981477311.db2.gz RBTZAAVWRCDDQW-UHFFFAOYSA-N -1 3 404.466 3.880 20 0 HHADHM CC[C@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])Oc1cccc(Cl)c1 ZINC000436620966 981478476 /nfs/dbraw/zinc/47/84/76/981478476.db2.gz AEZFIQFYSKXSCG-APWZRJJASA-N -1 3 416.905 3.624 20 0 HHADHM C[C@@]1(CCc2ccccc2)CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000436624650 981481030 /nfs/dbraw/zinc/48/10/30/981481030.db2.gz KMAXQMPWWVMRAC-SQJMNOBHSA-N -1 3 406.526 3.868 20 0 HHADHM CCc1ccc(CNC(=O)Cc2csc(NC(=O)c3cc(C)ccc3[O-])n2)s1 ZINC000436626368 981481546 /nfs/dbraw/zinc/48/15/46/981481546.db2.gz IDILQNLBRZJHJD-UHFFFAOYSA-N -1 3 415.540 3.892 20 0 HHADHM O=C(Nc1cc(Cc2ccccc2)ccc1O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436627026 981481967 /nfs/dbraw/zinc/48/19/67/981481967.db2.gz UIIMQVRAANHLNX-NRFANRHFSA-N -1 3 416.477 3.932 20 0 HHADHM CCCCc1nc2cc(NC(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])ccc2[nH]1 ZINC000436627619 981482012 /nfs/dbraw/zinc/48/20/12/981482012.db2.gz UMIGNNMVVZRYGN-LJQANCHMSA-N -1 3 406.486 3.854 20 0 HHADHM CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2ccc(O)cc2[O-])CC1 ZINC000436629266 981483235 /nfs/dbraw/zinc/48/32/35/981483235.db2.gz IVOLEJMLJMKMJC-SFHVURJKSA-N -1 3 419.319 3.769 20 0 HHADHM CC1(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)Cc2ccccc2C1 ZINC000436630479 981483734 /nfs/dbraw/zinc/48/37/34/981483734.db2.gz OAGUFNKDYMFKHG-HSZRJFAPSA-N -1 3 414.505 3.927 20 0 HHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)Nc3nnc(C(C)C)s3)cs2)c1 ZINC000436635680 981485847 /nfs/dbraw/zinc/48/58/47/981485847.db2.gz VIMFTOGNNQPTJP-UHFFFAOYSA-N -1 3 417.516 3.566 20 0 HHADHM Cn1c2ccccc2c(Cl)c1C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436637135 981487156 /nfs/dbraw/zinc/48/71/56/981487156.db2.gz YWETXAYQOPNGEK-UHFFFAOYSA-N -1 3 411.889 3.572 20 0 HHADHM CCS[C@@H]1CCC[C@@H]1NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000436638146 981487718 /nfs/dbraw/zinc/48/77/18/981487718.db2.gz BUBKTYNNLFOIMV-DOTOQJQBSA-N -1 3 419.572 3.742 20 0 HHADHM CCSCC[C@H](C)NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000436637928 981487777 /nfs/dbraw/zinc/48/77/77/981487777.db2.gz BFRFFOAUBQVOJW-ZDUSSCGKSA-N -1 3 407.561 3.600 20 0 HHADHM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436642870 981489614 /nfs/dbraw/zinc/48/96/14/981489614.db2.gz VITSLMCNVXENNJ-ZWCUEREDSA-N -1 3 416.562 3.590 20 0 HHADHM O=C(Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1)c1c([O-])cccc1O ZINC000436645844 981490918 /nfs/dbraw/zinc/49/09/18/981490918.db2.gz DCCQDPPGRLOWIP-UHFFFAOYSA-N -1 3 405.237 3.867 20 0 HHADHM Cc1csc([C@@H](NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])C2CC2)n1 ZINC000436667853 981500498 /nfs/dbraw/zinc/50/04/98/981500498.db2.gz ZRFDUIPUURFMBK-KRWDZBQOSA-N -1 3 412.471 3.587 20 0 HHADHM CN(C)CCn1cc(NC(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])ccc1=O ZINC000436672401 981503991 /nfs/dbraw/zinc/50/39/91/981503991.db2.gz YEKYHTNZYPZDII-UHFFFAOYSA-N -1 3 411.889 3.688 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCCOc2ccc(C(C)C)cc2)c1 ZINC000436672958 981504762 /nfs/dbraw/zinc/50/47/62/981504762.db2.gz HGFUZKKXLOPKCV-UHFFFAOYSA-N -1 3 423.469 3.873 20 0 HHADHM COc1cccc([C@H]2CCCN2C(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])c1 ZINC000436675422 981506189 /nfs/dbraw/zinc/50/61/89/981506189.db2.gz WIUSILCQLXWOCS-HXUWFJFHSA-N -1 3 421.453 3.927 20 0 HHADHM O=C(NCCNC(=O)[C@H](Oc1ccc(Cl)cc1)c1ccccc1)c1ccc([O-])cc1 ZINC000436678955 981507454 /nfs/dbraw/zinc/50/74/54/981507454.db2.gz DYCSEHYSVIGPST-OAQYLSRUSA-N -1 3 424.884 3.712 20 0 HHADHM Cc1cc(F)ccc1-c1ccc(C(=O)NCCNC(=O)c2ccc([O-])cc2)cc1F ZINC000436679206 981508213 /nfs/dbraw/zinc/50/82/13/981508213.db2.gz FMSDSJBHYVCOGY-UHFFFAOYSA-N -1 3 410.420 3.806 20 0 HHADHM O=C(CCCC(=O)c1ccc(Cl)c(Cl)c1)NCCNC(=O)c1ccc([O-])cc1 ZINC000436679238 981508337 /nfs/dbraw/zinc/50/83/37/981508337.db2.gz FUTZNURSNLZEIO-UHFFFAOYSA-N -1 3 423.296 3.598 20 0 HHADHM CCSc1ccc([C@H](C)NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436688314 981513293 /nfs/dbraw/zinc/51/32/93/981513293.db2.gz LCAYSDUMYSGZTI-INIZCTEOSA-N -1 3 413.543 3.733 20 0 HHADHM Cc1nc(-c2ccsc2)ccc1C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436692192 981516042 /nfs/dbraw/zinc/51/60/42/981516042.db2.gz MJRIHBHKPDUBQM-UHFFFAOYSA-N -1 3 421.522 3.859 20 0 HHADHM COC[C@@H](C)n1c(=O)c2ccccc2nc1SCc1noc(-c2ccccc2[O-])n1 ZINC000436702390 981520730 /nfs/dbraw/zinc/52/07/30/981520730.db2.gz CWGVOVKEUBJXPM-CYBMUJFWSA-N -1 3 424.482 3.652 20 0 HHADHM COc1ccc(-c2nc(SCc3noc(-c4ccccc4[O-])n3)n[nH]2)c(OC)c1 ZINC000436707535 981522904 /nfs/dbraw/zinc/52/29/04/981522904.db2.gz SJQRRYCNFZBPEC-UHFFFAOYSA-N -1 3 411.443 3.537 20 0 HHADHM CC[C@@H](NC(=O)CCNC(=O)c1ccc(C)cc1[O-])c1ccccc1OC(F)F ZINC000436707819 981523482 /nfs/dbraw/zinc/52/34/82/981523482.db2.gz HJVCHHLOIRJPMH-MRXNPFEDSA-N -1 3 406.429 3.689 20 0 HHADHM Cn1nnc2c1C[C@H](C(=O)Nc1ccc([O-])c(-c3nc4ccccc4s3)c1)CC2 ZINC000436709420 981523671 /nfs/dbraw/zinc/52/36/71/981523671.db2.gz XLJMJRSOAXYFTQ-GFCCVEGCSA-N -1 3 405.483 3.541 20 0 HHADHM O=C(N[C@H](c1ccc(F)cc1)C1CCC1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436710338 981524340 /nfs/dbraw/zinc/52/43/40/981524340.db2.gz SHRZVXVCDODHTR-NRFANRHFSA-N -1 3 411.477 3.540 20 0 HHADHM O=C(N[C@H]1CCCC[C@@H]1c1ccccc1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436716549 981528025 /nfs/dbraw/zinc/52/80/25/981528025.db2.gz QPXWIQMVGCPXGS-CTNGQTDRSA-N -1 3 407.514 3.586 20 0 HHADHM Cc1c2ccccc2oc1[C@@H](C)NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436724250 981532472 /nfs/dbraw/zinc/53/24/72/981532472.db2.gz RURMBFNUWQWKIY-MRXNPFEDSA-N -1 3 407.470 3.675 20 0 HHADHM COc1ccc([C@@H](C)NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])cc1F ZINC000436728791 981534972 /nfs/dbraw/zinc/53/49/72/981534972.db2.gz NLPNENQRNACHRD-LLVKDONJSA-N -1 3 413.405 3.580 20 0 HHADHM COC(=O)C[C@@H](NC(=O)c1cc(NC(C)=O)ccc1[O-])c1cccc2ccccc21 ZINC000436737157 981538856 /nfs/dbraw/zinc/53/88/56/981538856.db2.gz HVRVVWFKHCXMGN-HXUWFJFHSA-N -1 3 406.438 3.538 20 0 HHADHM O=C(N[C@H]1CCCC[C@H]1Cc1ccccc1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436741197 981539971 /nfs/dbraw/zinc/53/99/71/981539971.db2.gz SELNQZUFBMUDRB-GMAHTHKFSA-N -1 3 421.541 3.661 20 0 HHADHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1cccc(-c2ccc3c(c2)CCO3)c1 ZINC000436740244 981540084 /nfs/dbraw/zinc/54/00/84/981540084.db2.gz PYPKXXSVBOOSJZ-UHFFFAOYSA-N -1 3 417.465 3.546 20 0 HHADHM Cc1coc(-c2cc(NC(=O)N3CCN(C(=O)c4ccc([O-])cc4)CC3)ccc2C)n1 ZINC000436740247 981540195 /nfs/dbraw/zinc/54/01/95/981540195.db2.gz PYSUMHRMAFGVKO-UHFFFAOYSA-N -1 3 420.469 3.654 20 0 HHADHM O=C(N[C@@H]1CCCC[C@@H]1Cc1ccccc1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436741195 981540238 /nfs/dbraw/zinc/54/02/38/981540238.db2.gz SELNQZUFBMUDRB-FYYLOGMGSA-N -1 3 421.541 3.661 20 0 HHADHM O=C(NCc1ccncc1OC[C@@H]1CCOC1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436741744 981540951 /nfs/dbraw/zinc/54/09/51/981540951.db2.gz UZTQUORTTGMGLI-QGZVFWFLSA-N -1 3 420.465 3.925 20 0 HHADHM CCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)c2cc(OC)c([O-])c(OC)c2)cc1 ZINC000436742354 981541365 /nfs/dbraw/zinc/54/13/65/981541365.db2.gz VWOQGHFPYFSJJO-CQSZACIVSA-N -1 3 415.490 3.774 20 0 HHADHM CCOc1ccccc1C1=CCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000436744700 981542284 /nfs/dbraw/zinc/54/22/84/981542284.db2.gz OVNHNBVTDYNVQS-OAQYLSRUSA-N -1 3 420.509 3.711 20 0 HHADHM O=C(Nc1ccc2nc(C3CC3)sc2c1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436746536 981542828 /nfs/dbraw/zinc/54/28/28/981542828.db2.gz HVDGZRRDRSXKEH-UHFFFAOYSA-N -1 3 422.510 3.869 20 0 HHADHM CC(C)Oc1ccc(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1Cl ZINC000436750172 981544441 /nfs/dbraw/zinc/54/44/41/981544441.db2.gz WBSMYSPCRSUBHK-UHFFFAOYSA-N -1 3 417.893 3.823 20 0 HHADHM O=C(c1cccs1)N1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000436754851 981547106 /nfs/dbraw/zinc/54/71/06/981547106.db2.gz ITMVFUAJGLDDAD-UHFFFAOYSA-N -1 3 408.479 3.844 20 0 HHADHM NC(=O)c1ccc(CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C2CC2)cc1 ZINC000436760612 981550342 /nfs/dbraw/zinc/55/03/42/981550342.db2.gz DJVRBHZPJFOQRR-UHFFFAOYSA-N -1 3 400.478 3.887 20 0 HHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccccc1CCC(F)(F)F ZINC000436765546 981553040 /nfs/dbraw/zinc/55/30/40/981553040.db2.gz PWKBSHHKDKSBPE-UHFFFAOYSA-N -1 3 420.431 3.922 20 0 HHADHM C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436775131 981556190 /nfs/dbraw/zinc/55/61/90/981556190.db2.gz OUMDQBQDNWIURS-CQSZACIVSA-N -1 3 404.919 3.511 20 0 HHADHM O=C(c1ccccc1[O-])N1CCN(C(=O)c2ccccc2Cc2ccccc2)CC1 ZINC000436775754 981556638 /nfs/dbraw/zinc/55/66/38/981556638.db2.gz RDLDLBJKFYMTJE-UHFFFAOYSA-N -1 3 400.478 3.581 20 0 HHADHM O=C(N[C@H]1CCCc2sc(Cl)cc21)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436777813 981557024 /nfs/dbraw/zinc/55/70/24/981557024.db2.gz DTYNANFWCUUOPO-INIZCTEOSA-N -1 3 419.934 3.652 20 0 HHADHM COc1ccccc1Nc1nnc(SCc2noc(-c3ccccc3[O-])n2)s1 ZINC000436776978 981557213 /nfs/dbraw/zinc/55/72/13/981557213.db2.gz LJVRBACSKUULEV-UHFFFAOYSA-N -1 3 413.484 4.338 20 0 HHADHM CCOC(=O)[C@]1(COC)CCCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000436780479 981558129 /nfs/dbraw/zinc/55/81/29/981558129.db2.gz CSGUVZGYNAFEPZ-HSZRJFAPSA-N -1 3 413.470 3.616 20 0 HHADHM O=C(CCc1ccc(-c2ccccc2)o1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436781890 981558622 /nfs/dbraw/zinc/55/86/22/981558622.db2.gz VSTFHXCUFOUCBQ-UHFFFAOYSA-N -1 3 404.466 3.569 20 0 HHADHM COc1cc(CNC(=O)c2cc(NC(C)=O)ccc2[O-])ccc1OCc1ccccc1 ZINC000436782584 981559363 /nfs/dbraw/zinc/55/93/63/981559363.db2.gz JEPMLYWWUVDPBQ-UHFFFAOYSA-N -1 3 420.465 3.868 20 0 HHADHM O=C(Nc1ccc(Cl)cc1)c1nccnc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000436787838 981561368 /nfs/dbraw/zinc/56/13/68/981561368.db2.gz YXHIVQRLZUESHE-UHFFFAOYSA-N -1 3 403.225 3.994 20 0 HHADHM CC(C)[C@@H]1C[C@@H](CC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c2ccccc21 ZINC000436792265 981563296 /nfs/dbraw/zinc/56/32/96/981563296.db2.gz MVIKCVZDPYRTTR-AVRDEDQJSA-N -1 3 406.526 3.994 20 0 HHADHM O=C(NCc1nnc(C2CC2)n1C1CC1)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436794148 981565040 /nfs/dbraw/zinc/56/50/40/981565040.db2.gz AKOGINQFLNQGKM-UHFFFAOYSA-N -1 3 402.498 3.911 20 0 HHADHM Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000436797823 981567157 /nfs/dbraw/zinc/56/71/57/981567157.db2.gz PLYIOQDSYPFBKB-QGZVFWFLSA-N -1 3 410.518 3.631 20 0 HHADHM CCc1ccc(C(=O)Nc2cc(OC)c(OC)cc2C(=O)N2CCCCC2)c([O-])c1 ZINC000436798317 981567179 /nfs/dbraw/zinc/56/71/79/981567179.db2.gz SNVBZHKRKVDMEC-UHFFFAOYSA-N -1 3 412.486 3.850 20 0 HHADHM CCc1ccc(C(=O)N(C)CC(=O)Nc2ccc(Br)cc2C)c([O-])c1 ZINC000436804391 981569161 /nfs/dbraw/zinc/56/91/61/981569161.db2.gz UPOBDKLMJQLNJO-UHFFFAOYSA-N -1 3 405.292 3.736 20 0 HHADHM Cn1nc([C@H]2CCCOC2)cc1NC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436807552 981570874 /nfs/dbraw/zinc/57/08/74/981570874.db2.gz ITMISLJNEWMLRI-KRWDZBQOSA-N -1 3 407.470 3.851 20 0 HHADHM COC[C@@H]1CCCCN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000436816239 981574104 /nfs/dbraw/zinc/57/41/04/981574104.db2.gz NNCPALVSMBNSKR-XMSQKQJNSA-N -1 3 410.514 3.529 20 0 HHADHM O=C(Nc1cc(F)ccc1OC(F)F)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436818321 981575137 /nfs/dbraw/zinc/57/51/37/981575137.db2.gz UQKXLLTZOYBAGH-UHFFFAOYSA-N -1 3 423.391 3.559 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCC[C@@H](OCC2CC2)C1 ZINC000436821359 981576691 /nfs/dbraw/zinc/57/66/91/981576691.db2.gz PAZHXLUWBAWXPM-DHIUTWEWSA-N -1 3 422.525 3.671 20 0 HHADHM CN(CC1(O)CCCCCC1)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436830411 981580404 /nfs/dbraw/zinc/58/04/04/981580404.db2.gz CXRMDKOWCKSOSQ-JOCHJYFZSA-N -1 3 424.541 3.797 20 0 HHADHM CC(C)c1ccc(C(=O)N(C)[C@H](C)c2cccc(N3CCCS3(=O)=O)c2)c([O-])c1 ZINC000436830024 981580472 /nfs/dbraw/zinc/58/04/72/981580472.db2.gz UJQSPYCLGJUYCN-MRXNPFEDSA-N -1 3 416.543 3.889 20 0 HHADHM CCc1ccc(C(=O)N2CCC[C@@H](N(C)C(=O)c3ccc(CC)cc3O)CC2)c([O-])c1 ZINC000436837109 981583691 /nfs/dbraw/zinc/58/36/91/981583691.db2.gz NQXCMDZTJAYFTG-LJQANCHMSA-N -1 3 424.541 3.990 20 0 HHADHM CCc1ccc(C(=O)N(C)[C@@H]2CCCN(C(=O)c3ccc(CC)cc3O)CC2)c([O-])c1 ZINC000436837109 981583693 /nfs/dbraw/zinc/58/36/93/981583693.db2.gz NQXCMDZTJAYFTG-LJQANCHMSA-N -1 3 424.541 3.990 20 0 HHADHM CC(C)c1ccc(-c2noc(CN3CCN(C(=O)c4ccccc4[O-])CC3)n2)cc1 ZINC000436848140 981588502 /nfs/dbraw/zinc/58/85/02/981588502.db2.gz TZBJIKFVHTYCRS-UHFFFAOYSA-N -1 3 406.486 3.524 20 0 HHADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)[C@H]2C[C@@H]2c2cccc3ccccc32)CC1 ZINC000436861160 981595757 /nfs/dbraw/zinc/59/57/57/981595757.db2.gz ATAPVYWZQLSMDW-PKTZIBPZSA-N -1 3 400.478 3.634 20 0 HHADHM O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)c1c([O-])cc(Cl)cc1Cl ZINC000436867572 981597050 /nfs/dbraw/zinc/59/70/50/981597050.db2.gz DFEXJELMTJDJEB-INIZCTEOSA-N -1 3 409.313 3.720 20 0 HHADHM COc1cccc(C(NC(=O)c2cc(OC)c([O-])c(OC)c2)c2cccc(OC)c2)c1 ZINC000436868320 981597359 /nfs/dbraw/zinc/59/73/59/981597359.db2.gz HGHJNPFZBXZXAD-UHFFFAOYSA-N -1 3 423.465 3.946 20 0 HHADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)CC1 ZINC000436870015 981597639 /nfs/dbraw/zinc/59/76/39/981597639.db2.gz CRWRIVYCNZQPRM-MOPGFXCFSA-N -1 3 419.308 3.787 20 0 HHADHM O=C(Nc1cc(CSCCO)ccn1)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436873052 981598431 /nfs/dbraw/zinc/59/84/31/981598431.db2.gz OHQLOONTAXEAFS-UHFFFAOYSA-N -1 3 410.495 3.844 20 0 HHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@H](C)c3cccc(O)c3)cs2)c1 ZINC000436873577 981598478 /nfs/dbraw/zinc/59/84/78/981598478.db2.gz QGWDDYBOMAJWSR-CYBMUJFWSA-N -1 3 411.483 3.535 20 0 HHADHM Cc1cc(C)nc(N2CCN(C(=O)c3cc(CCc4ccccc4)ccc3[O-])CC2)n1 ZINC000436877988 981599291 /nfs/dbraw/zinc/59/92/91/981599291.db2.gz APOKSMYZVICBPW-UHFFFAOYSA-N -1 3 416.525 3.547 20 0 HHADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CC=C(c2cccc(Cl)c2)CC1 ZINC000436884919 981601049 /nfs/dbraw/zinc/60/10/49/981601049.db2.gz BFIVFAXTJCWWKG-HXUWFJFHSA-N -1 3 410.901 3.966 20 0 HHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000436884904 981601062 /nfs/dbraw/zinc/60/10/62/981601062.db2.gz BDDSUIZOEJNYRC-HRAATJIYSA-N -1 3 406.482 3.800 20 0 HHADHM CC(C)c1ccc(C[C@@H](C)NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000436886522 981601393 /nfs/dbraw/zinc/60/13/93/981601393.db2.gz SKWSYOKASVFLKY-GOSISDBHSA-N -1 3 409.530 3.614 20 0 HHADHM [O-]c1ccccc1-c1nc(-c2ccc(N3CCN(c4ccc(F)cc4)CC3)nc2)no1 ZINC000436888541 981602240 /nfs/dbraw/zinc/60/22/40/981602240.db2.gz TWKHUNGWNRXYOZ-UHFFFAOYSA-N -1 3 417.444 3.970 20 0 HHADHM O=C(N[C@@H]1C[C@H]1c1cccc2ccccc21)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436898900 981606045 /nfs/dbraw/zinc/60/60/45/981606045.db2.gz BAXXIPDJWXNMFG-XZOQPEGZSA-N -1 3 415.493 3.569 20 0 HHADHM O=C(c1ccccc1[O-])N1CCN(C(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000436901192 981607745 /nfs/dbraw/zinc/60/77/45/981607745.db2.gz QPTSDFCIYGXUNN-UHFFFAOYSA-N -1 3 412.795 3.663 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@@H]1C[C@H]1c1ccccc1 ZINC000436902277 981608405 /nfs/dbraw/zinc/60/84/05/981608405.db2.gz FARFDJLZBZPBOL-RJGXRXQPSA-N -1 3 400.478 3.926 20 0 HHADHM COCc1cccc(CNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC000436906807 981612606 /nfs/dbraw/zinc/61/26/06/981612606.db2.gz FBTLEIUWQZWPOO-QHCPKHFHSA-N -1 3 418.493 3.716 20 0 HHADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000436909143 981614422 /nfs/dbraw/zinc/61/44/22/981614422.db2.gz XXTOTUQCZKSNJC-DYESRHJHSA-N -1 3 410.489 3.932 20 0 HHADHM O=C(NCc1ccc(Oc2ccccc2)nc1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436909249 981614489 /nfs/dbraw/zinc/61/44/89/981614489.db2.gz YCDUIOCEVAHUOJ-HXUWFJFHSA-N -1 3 417.465 3.501 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCCOc1cccc(F)c1 ZINC000436910476 981616297 /nfs/dbraw/zinc/61/62/97/981616297.db2.gz OGYBCNHBZYUCJG-JOCHJYFZSA-N -1 3 422.456 3.588 20 0 HHADHM C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436912079 981617536 /nfs/dbraw/zinc/61/75/36/981617536.db2.gz CHZLTQANRGXFIY-KRWDZBQOSA-N -1 3 413.477 3.511 20 0 HHADHM CCOc1ccc(Br)cc1-c1noc(-c2cc3c(cc2[O-])OCO3)n1 ZINC000436913144 981619080 /nfs/dbraw/zinc/61/90/80/981619080.db2.gz ZGKNNSJKGTYCNF-UHFFFAOYSA-N -1 3 405.204 3.999 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCCc1c(F)cccc1F ZINC000436914047 981620367 /nfs/dbraw/zinc/62/03/67/981620367.db2.gz XWYCAIAZSDPYHS-JOCHJYFZSA-N -1 3 424.447 3.891 20 0 HHADHM Cn1cccc1[C@H]1CCCN1C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436916502 981622111 /nfs/dbraw/zinc/62/21/11/981622111.db2.gz WUQJMDCBSJLPEK-JTHBVZDNSA-N -1 3 417.509 3.956 20 0 HHADHM COc1ccc([O-])c(-c2nc(Cc3ccc(OC)c(OC)c3Br)no2)c1 ZINC000436921794 981625436 /nfs/dbraw/zinc/62/54/36/981625436.db2.gz VBKGOMCFMIPEPP-UHFFFAOYSA-N -1 3 421.247 3.821 20 0 HHADHM C[C@@H](c1ccccn1)N(C)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436924685 981626807 /nfs/dbraw/zinc/62/68/07/981626807.db2.gz YCTILEMOQFMBJV-HTAPYJJXSA-N -1 3 403.482 3.868 20 0 HHADHM CC(C)(CCCc1ccccc1)CNC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436924043 981627209 /nfs/dbraw/zinc/62/72/09/981627209.db2.gz FOUUABUEKCLKCF-UHFFFAOYSA-N -1 3 423.557 3.909 20 0 HHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1cnc(-c2ccccc2)s1 ZINC000436944150 981636853 /nfs/dbraw/zinc/63/68/53/981636853.db2.gz MCXQETAKSDBRBS-UHFFFAOYSA-N -1 3 407.495 3.550 20 0 HHADHM O=C(CCc1ccc(-c2ccccc2)[nH]1)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436945128 981637691 /nfs/dbraw/zinc/63/76/91/981637691.db2.gz MBBIDDISVVPTNS-UHFFFAOYSA-N -1 3 417.509 3.741 20 0 HHADHM Cc1cc(C(F)(F)F)ncc1NC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436946303 981638436 /nfs/dbraw/zinc/63/84/36/981638436.db2.gz IKWDMNSPHHCPGJ-UHFFFAOYSA-N -1 3 422.407 3.541 20 0 HHADHM COc1ccc(CCCCC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436947782 981639153 /nfs/dbraw/zinc/63/91/53/981639153.db2.gz UPCMETBQYUXRCB-UHFFFAOYSA-N -1 3 410.514 3.535 20 0 HHADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CCc2c1cccc2C(F)(F)F ZINC000436958492 981647239 /nfs/dbraw/zinc/64/72/39/981647239.db2.gz HRCKABIGOMXRJV-QGZVFWFLSA-N -1 3 404.388 3.605 20 0 HHADHM Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1cc(F)c([O-])c(F)c1 ZINC000436968605 981654522 /nfs/dbraw/zinc/65/45/22/981654522.db2.gz ULWSSEYGQOOKPT-QGZVFWFLSA-N -1 3 412.440 3.875 20 0 HHADHM CCCCOc1ccc(C(=O)N2CCN(C(=O)c3cccc(Cl)c3)CC2)c([O-])c1 ZINC000436970071 981655365 /nfs/dbraw/zinc/65/53/65/981655365.db2.gz CBLZQDZVNXVKDC-UHFFFAOYSA-N -1 3 416.905 3.823 20 0 HHADHM CCCCOc1ccc(C(=O)N2CCC[C@H](c3nnc4n3CCCCC4)C2)c([O-])c1 ZINC000436970932 981656339 /nfs/dbraw/zinc/65/63/39/981656339.db2.gz HPOJCGJTLYLAQK-KRWDZBQOSA-N -1 3 412.534 3.909 20 0 HHADHM CCCCN(C)c1ccc(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436970832 981656379 /nfs/dbraw/zinc/65/63/79/981656379.db2.gz GTJDBKBARJUOFA-UHFFFAOYSA-N -1 3 409.530 3.663 20 0 HHADHM CCCCOc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(C)cn3)CC2)c([O-])c1 ZINC000436972154 981657730 /nfs/dbraw/zinc/65/77/30/981657730.db2.gz MURPPOLINCVGKX-UHFFFAOYSA-N -1 3 411.502 3.765 20 0 HHADHM CCCCOc1ccc(C(=O)N2CCN(C(=O)c3ccc(C)s3)CC2)c([O-])c1 ZINC000436972915 981658508 /nfs/dbraw/zinc/65/85/08/981658508.db2.gz QZSQDANQPGQUFG-UHFFFAOYSA-N -1 3 402.516 3.539 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C)Cc2cc(F)c(F)c(F)c2)c1 ZINC000436979135 981663549 /nfs/dbraw/zinc/66/35/49/981663549.db2.gz KVOZZJCWXRVDCF-UHFFFAOYSA-N -1 3 419.359 3.630 20 0 HHADHM CC[C@@H](CC(F)(F)F)NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000436980605 981664296 /nfs/dbraw/zinc/66/42/96/981664296.db2.gz OPJUNQBLGPGLJX-NSHDSACASA-N -1 3 415.437 3.799 20 0 HHADHM CCCCOc1ccc(C(=O)N(C)[C@@H]2CS(=O)(=O)c3ccc(Cl)cc32)c([O-])c1 ZINC000436980366 981664480 /nfs/dbraw/zinc/66/44/80/981664480.db2.gz NBSQBRLPCQLRTM-QGZVFWFLSA-N -1 3 423.918 3.825 20 0 HHADHM C[C@@H](CNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1nccs1 ZINC000436982734 981665798 /nfs/dbraw/zinc/66/57/98/981665798.db2.gz HQGXOMVSVDVJLE-KXBFYZLASA-N -1 3 409.511 3.630 20 0 HHADHM CCc1csc(NC(=O)Cc2csc(NC(=O)c3cc(C)ccc3[O-])n2)n1 ZINC000436982477 981666104 /nfs/dbraw/zinc/66/61/04/981666104.db2.gz XLLUPWYNNHSNPY-UHFFFAOYSA-N -1 3 402.501 3.610 20 0 HHADHM C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436983292 981666631 /nfs/dbraw/zinc/66/66/31/981666631.db2.gz WJVICWZFKJIUHU-OAHLLOKOSA-N -1 3 420.431 3.574 20 0 HHADHM C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436985093 981667733 /nfs/dbraw/zinc/66/77/33/981667733.db2.gz CBDNWBNEQBGLKV-HNNXBMFYSA-N -1 3 420.431 3.574 20 0 HHADHM CCCCOc1ccc(C(=O)N2CCC(NC(=O)Nc3ccccc3)CC2)c([O-])c1 ZINC000436986367 981668597 /nfs/dbraw/zinc/66/85/97/981668597.db2.gz FQRMRCMXESOGHB-UHFFFAOYSA-N -1 3 411.502 3.997 20 0 HHADHM CCCOc1cccc(CCNC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])c1 ZINC000436987449 981669094 /nfs/dbraw/zinc/66/90/94/981669094.db2.gz MHACATPNDOGPCD-UHFFFAOYSA-N -1 3 423.469 3.702 20 0 HHADHM CC(C)C[C@]1(CO)CCCN1C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436987644 981670043 /nfs/dbraw/zinc/67/00/43/981670043.db2.gz ULNVHAPAUURSBK-RDGATRHJSA-N -1 3 424.541 3.653 20 0 HHADHM CCCCOc1ccc(C(=O)N[C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)c([O-])c1 ZINC000436988449 981670734 /nfs/dbraw/zinc/67/07/34/981670734.db2.gz PIKVHLMFJPNTJP-QGZVFWFLSA-N -1 3 424.476 3.714 20 0 HHADHM O=C(NCCNC(=O)c1ccc([O-])cc1)c1ccc(-c2ccccc2C(F)(F)F)o1 ZINC000436989435 981670962 /nfs/dbraw/zinc/67/09/62/981670962.db2.gz RNXDIUKMJSWZKS-UHFFFAOYSA-N -1 3 418.371 3.831 20 0 HHADHM O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)c1ccc(Br)cc1[O-] ZINC000436998231 981676094 /nfs/dbraw/zinc/67/60/94/981676094.db2.gz ILHTVKFZTBFYAT-UHFFFAOYSA-N -1 3 421.257 3.690 20 0 HHADHM COc1cccc(-c2nc(CS(=O)(=O)c3cc(Cl)ccc3Cl)no2)c1[O-] ZINC000436999851 981676916 /nfs/dbraw/zinc/67/69/16/981676916.db2.gz SAXGNICVZBBRIN-UHFFFAOYSA-N -1 3 415.254 3.732 20 0 HHADHM CCn1ccnc1[C@@H]1CCCCN1C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000437004178 981680481 /nfs/dbraw/zinc/68/04/81/981680481.db2.gz UWGIAPLOTBPFTB-SFHVURJKSA-N -1 3 423.473 3.525 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]c2ccc(NC(=O)NC[C@H]3CCCO3)cc2)cc(C)c1F ZINC000460438900 982229870 /nfs/dbraw/zinc/22/98/70/982229870.db2.gz RRLXXKDKUDRGGI-QGZVFWFLSA-N -1 3 421.494 3.544 20 0 HHADHM COc1cc(Br)c(S(=O)(=O)[N-]c2ccsc2Cl)cc1OC ZINC000437664404 982280195 /nfs/dbraw/zinc/28/01/95/982280195.db2.gz ZLMHTFSXRSTMJA-UHFFFAOYSA-N -1 3 412.714 3.982 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCC=C(C)C3)c2)cc1 ZINC000438020711 982528498 /nfs/dbraw/zinc/52/84/98/982528498.db2.gz RZNQPOWYPRZEBI-UHFFFAOYSA-N -1 3 414.527 3.987 20 0 HHADHM COC(=O)c1cccc2[n-]c(NC(=O)Cc3ccc(C)c(Br)c3)nc21 ZINC000438176348 982633875 /nfs/dbraw/zinc/63/38/75/982633875.db2.gz QYOJBMKPSYGPTF-UHFFFAOYSA-N -1 3 402.248 3.602 20 0 HHADHM C[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000438231906 982668777 /nfs/dbraw/zinc/66/87/77/982668777.db2.gz CPOAGPBZWLLQGW-WAIKUNEKSA-N -1 3 406.482 3.583 20 0 HHADHM C[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000438231904 982669065 /nfs/dbraw/zinc/66/90/65/982669065.db2.gz CPOAGPBZWLLQGW-MWTRTKDXSA-N -1 3 406.482 3.583 20 0 HHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3csc(-c4ccc(OC)cc4)n3)nc21 ZINC000438353468 982741363 /nfs/dbraw/zinc/74/13/63/982741363.db2.gz BQNRXIHCONEXMR-UHFFFAOYSA-N -1 3 408.439 3.734 20 0 HHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccccc3OCc3c(C)noc3C)nc21 ZINC000438359835 982745209 /nfs/dbraw/zinc/74/52/09/982745209.db2.gz YHFGJGRYAIOTIZ-UHFFFAOYSA-N -1 3 420.425 3.786 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ncc(-c3ccc(Cl)cc3)s2)c(C)o1 ZINC000461102466 982793946 /nfs/dbraw/zinc/79/39/46/982793946.db2.gz VUXKSOZTXIMYII-UHFFFAOYSA-N -1 3 411.892 3.525 20 0 HHADHM C[S@@](=O)Cc1ccc(Cl)c([N-]S(=O)(=O)c2cnc3ccsc3c2)c1 ZINC000461112404 982802366 /nfs/dbraw/zinc/80/23/66/982802366.db2.gz NBMNDBCCZBLVTI-HSZRJFAPSA-N -1 3 400.934 3.629 20 0 HHADHM CCCc1ncc(C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)s1 ZINC000461119566 982815409 /nfs/dbraw/zinc/81/54/09/982815409.db2.gz ZKOCBZRGAPTLIC-UHFFFAOYSA-N -1 3 407.439 3.738 20 0 HHADHM COC(C)(C)C[C@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000461178071 982894948 /nfs/dbraw/zinc/89/49/48/982894948.db2.gz DHNUHXDQGZDMJX-HNNXBMFYSA-N -1 3 422.522 3.868 20 0 HHADHM COC(=O)c1cc(F)c(C)c(S(=O)(=O)[N-]c2ccc(-n3cnc(C)c3C)cc2)c1 ZINC000461217133 982929413 /nfs/dbraw/zinc/92/94/13/982929413.db2.gz KXRISAWRZDHYHS-UHFFFAOYSA-N -1 3 417.462 3.524 20 0 HHADHM CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000438697246 983009622 /nfs/dbraw/zinc/00/96/22/983009622.db2.gz PKDNNPXQNPRBHP-ZWKOTPCHSA-N -1 3 409.530 3.691 20 0 HHADHM CC[C@@H](C)n1ncc([N-]S(=O)(=O)CCc2ccccc2Br)c1C ZINC000461331106 983021467 /nfs/dbraw/zinc/02/14/67/983021467.db2.gz JUEMLJWZALLSNA-GFCCVEGCSA-N -1 3 400.342 3.909 20 0 HHADHM CCOc1cc(N2CCN(C)CC2)ccc1[N-]S(=O)(=O)c1ccc(C)c(Cl)c1 ZINC000438790442 983072016 /nfs/dbraw/zinc/07/20/16/983072016.db2.gz ZCHBCFAWBZMMEL-UHFFFAOYSA-N -1 3 423.966 3.600 20 0 HHADHM CCOC(=O)c1cc(Br)cc(S(=O)(=O)[N-]c2c(C)cccc2F)c1 ZINC000461433176 983096322 /nfs/dbraw/zinc/09/63/22/983096322.db2.gz QPHKDTKJUGUULW-UHFFFAOYSA-N -1 3 416.268 3.874 20 0 HHADHM CCCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCC3CC3)ccc2C)cc1 ZINC000438861152 983126613 /nfs/dbraw/zinc/12/66/13/983126613.db2.gz UANPNNADMKJHQS-UHFFFAOYSA-N -1 3 402.516 3.724 20 0 HHADHM Cc1nc(C)c(CCC(=O)N2CCC(c3ccccc3Br)CC2)c(=O)[n-]1 ZINC000439016296 983211949 /nfs/dbraw/zinc/21/19/49/983211949.db2.gz CKKWYMZVZZJDMX-UHFFFAOYSA-N -1 3 418.335 3.900 20 0 HHADHM Cc1ccc(-c2ccc(C(=O)Nc3cc4c(cc3[O-])n(C)c(=O)n4C)c(F)c2)cc1 ZINC000461622958 983245452 /nfs/dbraw/zinc/24/54/52/983245452.db2.gz GYUYLEASPAFUPF-UHFFFAOYSA-N -1 3 405.429 3.949 20 0 HHADHM Cn1c(=O)n(C)c2cc(NC(=O)c3cc4c(ccc(Cl)c4Cl)[nH]3)c([O-])cc21 ZINC000461625715 983247590 /nfs/dbraw/zinc/24/75/90/983247590.db2.gz WHFCVFITPLJFCY-UHFFFAOYSA-N -1 3 405.241 3.623 20 0 HHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000439104343 983251278 /nfs/dbraw/zinc/25/12/78/983251278.db2.gz BNWGACOXBIVGMD-UHFFFAOYSA-N -1 3 403.364 3.727 20 0 HHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000439104343 983251288 /nfs/dbraw/zinc/25/12/88/983251288.db2.gz BNWGACOXBIVGMD-UHFFFAOYSA-N -1 3 403.364 3.727 20 0 HHADHM O=S(=O)([N-]Cc1noc(-c2cccc(F)c2)n1)c1cc(C(F)(F)F)ccc1F ZINC000439200461 983307339 /nfs/dbraw/zinc/30/73/39/983307339.db2.gz QRHCRPUKSGFVPF-UHFFFAOYSA-N -1 3 419.331 3.512 20 0 HHADHM CC[C@@H]1CN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)CCCO1 ZINC000439554105 983447091 /nfs/dbraw/zinc/44/70/91/983447091.db2.gz XGRNJSJUNVQLSJ-LLVKDONJSA-N -1 3 413.699 3.585 20 0 HHADHM CC(C)c1nccn1Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)N(C)CC3)c1 ZINC000439873629 983564577 /nfs/dbraw/zinc/56/45/77/983564577.db2.gz VKCKOAIWNYDQHI-UHFFFAOYSA-N -1 3 410.543 3.848 20 0 HHADHM CCC[C@H](C)c1cc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)n[nH]1 ZINC000439897200 983575025 /nfs/dbraw/zinc/57/50/25/983575025.db2.gz CYMSFTFYUJMOTB-LBPRGKRZSA-N -1 3 419.482 3.834 20 0 HHADHM CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000440252458 983697908 /nfs/dbraw/zinc/69/79/08/983697908.db2.gz TXMVLIWSBCASDV-IIBYNOLFSA-N -1 3 414.525 3.677 20 0 HHADHM COCCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)cc1Cl ZINC000440280379 983705534 /nfs/dbraw/zinc/70/55/34/983705534.db2.gz IIUMZFNLRLPWPL-UHFFFAOYSA-N -1 3 411.907 3.880 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N3[C@H](C)C[C@H]4CCCC[C@H]43)c2)n1 ZINC000440332791 983726134 /nfs/dbraw/zinc/72/61/34/983726134.db2.gz DNYVYRRNCKPUQT-SPYBWZPUSA-N -1 3 408.502 3.530 20 0 HHADHM Cc1noc(C2CCC([N-]S(=O)(=O)c3cc(C(F)(F)F)ccc3F)CC2)n1 ZINC000440381443 983739260 /nfs/dbraw/zinc/73/92/60/983739260.db2.gz QILJFMLRQDCHOD-UHFFFAOYSA-N -1 3 407.389 3.541 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C2CCC(c3nc(C)no3)CC2)s1 ZINC000440387972 983740750 /nfs/dbraw/zinc/74/07/50/983740750.db2.gz WDOYDWRQTUCWNP-UHFFFAOYSA-N -1 3 420.354 3.515 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]CCCc2nc(-c3ccncc3)cs2)c(F)cc1F ZINC000440395102 983743514 /nfs/dbraw/zinc/74/35/14/983743514.db2.gz BHIQOWYICJOEDD-UHFFFAOYSA-N -1 3 409.483 3.703 20 0 HHADHM CCOC(=O)CSc1nnc([N-]C(=O)c2ncccc2Oc2ccccc2)s1 ZINC000440430968 983755066 /nfs/dbraw/zinc/75/50/66/983755066.db2.gz VRFLOZYUZKGQQJ-UHFFFAOYSA-N -1 3 416.484 3.633 20 0 HHADHM CCOCc1ccc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)cc1 ZINC000440450037 983761277 /nfs/dbraw/zinc/76/12/77/983761277.db2.gz SHACAEHJBFBWKV-UHFFFAOYSA-N -1 3 417.462 3.743 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000440628724 983828696 /nfs/dbraw/zinc/82/86/96/983828696.db2.gz KSZUMKIAVSPIRC-BEFAXECRSA-N -1 3 406.486 3.666 20 0 HHADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1cnc2n(c1=O)CCS2 ZINC000440939002 983990463 /nfs/dbraw/zinc/99/04/63/983990463.db2.gz BDMOUALZLDMZDE-UHFFFAOYSA-N -1 3 422.491 3.584 20 0 HHADHM COCc1nc(C(=O)Nc2nc3c(cccc3C(=O)OC)[n-]2)c(-c2ccccc2)s1 ZINC000441049029 984043235 /nfs/dbraw/zinc/04/32/35/984043235.db2.gz HQGVCKWNSHBWEO-UHFFFAOYSA-N -1 3 422.466 3.872 20 0 HHADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(CN3CCCC3)ccc2C)cc1Cl ZINC000441382580 984221759 /nfs/dbraw/zinc/22/17/59/984221759.db2.gz JLHNXIBOSZLSLF-UHFFFAOYSA-N -1 3 422.934 3.832 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)Nc2cnn(CCC(C)C)c2C)cc1OC ZINC000441610727 984354421 /nfs/dbraw/zinc/35/44/21/984354421.db2.gz MRQRVUBNGNIKBT-UHFFFAOYSA-N -1 3 423.539 3.652 20 0 HHADHM Cc1nc(NC(=O)NCCNC(=O)c2ccc([O-])cc2)sc1Cc1cccc(C)c1 ZINC000441927267 984545455 /nfs/dbraw/zinc/54/54/55/984545455.db2.gz QKTYLGZLSILBRF-UHFFFAOYSA-N -1 3 424.526 3.608 20 0 HHADHM CCC[C@H](C)[C@H]1CCCN1C(=O)C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000442174000 984696831 /nfs/dbraw/zinc/69/68/31/984696831.db2.gz QTXGXTMYFPJPJV-HNAYVOBHSA-N -1 3 410.518 3.777 20 0 HHADHM CCC[C@H](C)[C@@H]1CCCN1C(=O)C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000442174001 984696955 /nfs/dbraw/zinc/69/69/55/984696955.db2.gz QTXGXTMYFPJPJV-KXBFYZLASA-N -1 3 410.518 3.777 20 0 HHADHM COC[C@H](C)[C@@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000461772920 984773982 /nfs/dbraw/zinc/77/39/82/984773982.db2.gz DDODVHBNRHICHO-LSDHHAIUSA-N -1 3 408.495 3.792 20 0 HHADHM Cn1c2cc([N-]S(=O)(=O)c3ccc(OCc4ccccc4)cc3)ccc2[nH]c1=O ZINC000442254457 984775276 /nfs/dbraw/zinc/77/52/76/984775276.db2.gz SYPWRSLKPFJDTL-UHFFFAOYSA-N -1 3 409.467 3.659 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@H]2CC2(C)C)c(Br)c1 ZINC000462151165 985122903 /nfs/dbraw/zinc/12/29/03/985122903.db2.gz OAGBQSHCIDCGJA-SECBINFHSA-N -1 3 411.159 3.844 20 0 HHADHM C[C@H]1COCC[C@@H]1c1noc(-c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)n1 ZINC000442684068 985154137 /nfs/dbraw/zinc/15/41/37/985154137.db2.gz WSJWCKBBKLHAST-BBRMVZONSA-N -1 3 417.462 3.817 20 0 HHADHM C[C@@H]1COCC[C@H]1c1noc(-c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)n1 ZINC000442684070 985155297 /nfs/dbraw/zinc/15/52/97/985155297.db2.gz WSJWCKBBKLHAST-CZUORRHYSA-N -1 3 417.462 3.817 20 0 HHADHM Cc1nc(-c2ccc(C(=O)NC3CCN(C(=O)c4ccccc4[O-])CC3)cc2)cs1 ZINC000442712719 985180027 /nfs/dbraw/zinc/18/00/27/985180027.db2.gz JNSUERBTSRULFQ-UHFFFAOYSA-N -1 3 421.522 3.859 20 0 HHADHM C[C@@H]1OCC[C@H]1S(=O)(=O)[N-]C1(c2noc(C3CCCCC3)n2)CCCCCC1 ZINC000442751377 985202062 /nfs/dbraw/zinc/20/20/62/985202062.db2.gz KOVYMGAEKBERTJ-DOTOQJQBSA-N -1 3 411.568 3.764 20 0 HHADHM O=S(=O)([N-][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1cnccc1C(F)(F)F ZINC000442761985 985206749 /nfs/dbraw/zinc/20/67/49/985206749.db2.gz ZJQROWXLFSRXDF-UKRRQHHQSA-N -1 3 424.803 3.701 20 0 HHADHM COc1cc(OC)cc(S(=O)(=O)[N-]c2cc(F)cc(F)c2Br)c1 ZINC000442849092 985244920 /nfs/dbraw/zinc/24/49/20/985244920.db2.gz GOEYXNQXGXAKFS-UHFFFAOYSA-N -1 3 408.220 3.545 20 0 HHADHM O=S(=O)([N-]Cc1ccnc(OCc2ccccc2)c1)c1cnccc1C(F)(F)F ZINC000442911058 985275405 /nfs/dbraw/zinc/27/54/05/985275405.db2.gz YMKNWFUCMSMNLH-UHFFFAOYSA-N -1 3 423.416 3.553 20 0 HHADHM COc1ccccc1SC[C@@H](C)C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000462298841 985285134 /nfs/dbraw/zinc/28/51/34/985285134.db2.gz RYONJKWOUPIBIC-NSHDSACASA-N -1 3 405.463 3.819 20 0 HHADHM CC[C@H](NS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1ccc(Cl)s1 ZINC000442957146 985301473 /nfs/dbraw/zinc/30/14/73/985301473.db2.gz MHXIXKCPBSILOC-NSHDSACASA-N -1 3 418.331 3.665 20 0 HHADHM CC[C@H](NS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)c1ccc(Cl)s1 ZINC000442957146 985301483 /nfs/dbraw/zinc/30/14/83/985301483.db2.gz MHXIXKCPBSILOC-NSHDSACASA-N -1 3 418.331 3.665 20 0 HHADHM O=C1[C@H]([N-]S(=O)(=O)Cc2ccccc2Cl)CCCN1c1ccccc1Cl ZINC000462316266 985302967 /nfs/dbraw/zinc/30/29/67/985302967.db2.gz KWZWEAUCMWDZTG-MRXNPFEDSA-N -1 3 413.326 3.608 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2CC=CCC2)c(Br)c1 ZINC000462334965 985325244 /nfs/dbraw/zinc/32/52/44/985325244.db2.gz WISGKPSDGOJZDR-SNVBAGLBSA-N -1 3 409.143 3.907 20 0 HHADHM CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000462335871 985325539 /nfs/dbraw/zinc/32/55/39/985325539.db2.gz CGCPCINXJBKJOG-MEBBXXQBSA-N -1 3 419.728 3.552 20 0 HHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)c1ccc(OC(C)C)cc1 ZINC000443018507 985339031 /nfs/dbraw/zinc/33/90/31/985339031.db2.gz CYIBYEKJVKHLDB-CYBMUJFWSA-N -1 3 411.907 3.953 20 0 HHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](c1ccccc1)c1ccncc1 ZINC000443021530 985340512 /nfs/dbraw/zinc/34/05/12/985340512.db2.gz UWSDHWOTHSQDDU-IBGZPJMESA-N -1 3 416.886 3.590 20 0 HHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCSc2ccc(F)cc21 ZINC000443023238 985341362 /nfs/dbraw/zinc/34/13/62/985341362.db2.gz JEEOCMGISZXGDJ-AWEZNQCLSA-N -1 3 415.895 3.781 20 0 HHADHM CC(C)(C)Oc1ccc([N-]S(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)C3)cc1 ZINC000462366043 985352789 /nfs/dbraw/zinc/35/27/89/985352789.db2.gz OUSODXWZWMWAGB-UHFFFAOYSA-N -1 3 400.500 3.500 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H]1COc2c1ccc(C)c2C ZINC000443065915 985359084 /nfs/dbraw/zinc/35/90/84/985359084.db2.gz BLCSJKXFUQMKDM-HNNXBMFYSA-N -1 3 417.508 3.717 20 0 HHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]Cc1sc(-c2ccccc2)nc1C ZINC000443066496 985359499 /nfs/dbraw/zinc/35/94/99/985359499.db2.gz 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COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C(C)(C)c1ccccc1OC ZINC000443088392 985368748 /nfs/dbraw/zinc/36/87/48/985368748.db2.gz UYELNFHUTJPLLX-UHFFFAOYSA-N -1 3 419.524 3.910 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]CC1(c2ccc(F)cc2)CCCC1 ZINC000443099897 985374944 /nfs/dbraw/zinc/37/49/44/985374944.db2.gz VHNPPOLOKNKYBA-UHFFFAOYSA-N -1 3 409.454 3.542 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](C)c1cccc(Cl)c1Cl ZINC000443115811 985385187 /nfs/dbraw/zinc/38/51/87/985385187.db2.gz ZROBEKFOOXTZMQ-VIFPVBQESA-N -1 3 406.262 3.959 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]CC2CCCC2)c(Br)c1 ZINC000462419604 985393164 /nfs/dbraw/zinc/39/31/64/985393164.db2.gz AXZRBWJNHMAATJ-UHFFFAOYSA-N -1 3 411.159 3.989 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](Cc1ccccc1)c1cccs1 ZINC000443127498 985393443 /nfs/dbraw/zinc/39/34/43/985393443.db2.gz ILNJMQIDJIQSQN-MRXNPFEDSA-N -1 3 419.499 3.936 20 0 HHADHM O=c1nc(CN2CCN(c3cccc(F)c3)C(=O)C2)[n-]c2scc(-c3ccco3)c21 ZINC000462457970 985419760 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CC[C@@H](C[C@H](C)CO)[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000443327942 985497073 /nfs/dbraw/zinc/49/70/73/985497073.db2.gz OPTWKZQUHKKXHD-ONGXEEELSA-N -1 3 418.275 3.543 20 0 HHADHM CCOC(=O)[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)[C@H](C)CC ZINC000462566980 985514665 /nfs/dbraw/zinc/51/46/65/985514665.db2.gz VRUAKDWDUPZGFH-NOZJJQNGSA-N -1 3 401.834 3.615 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000443352282 985515883 /nfs/dbraw/zinc/51/58/83/985515883.db2.gz CNILLRSQRMNLPT-CQSZACIVSA-N -1 3 414.458 3.714 20 0 HHADHM CCOc1ccccc1[C@H](CC(C)C)[N-]S(=O)(=O)c1ccsc1C(=O)OC ZINC000443365893 985526042 /nfs/dbraw/zinc/52/60/42/985526042.db2.gz DUNQICGJHFQGKC-HNNXBMFYSA-N -1 3 411.545 3.999 20 0 HHADHM O=S(=O)([N-]C1(c2cccc(F)c2)CCOCC1)c1cc(C(F)(F)F)ccc1F ZINC000462581517 985527891 /nfs/dbraw/zinc/52/78/91/985527891.db2.gz RFOQBGRAZPOYAC-UHFFFAOYSA-N -1 3 421.387 3.968 20 0 HHADHM COc1ccccc1-c1noc([C@@H](C)[N-]S(=O)(=O)c2cccc3cc(C)cnc32)n1 ZINC000462657469 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ZINC000444822666 986976870 /nfs/dbraw/zinc/97/68/70/986976870.db2.gz BIELZSKCHFTLQS-UHFFFAOYSA-N -1 3 405.501 3.629 20 0 HHADHM CC[C@@H]1Oc2cc([C@@H](C)NC(=O)CCCc3ccc([O-])c(F)c3)ccc2NC1=O ZINC000469425949 987114271 /nfs/dbraw/zinc/11/42/71/987114271.db2.gz IHGLFXQRJAKOBY-YJYMSZOUSA-N -1 3 400.450 3.841 20 0 HHADHM CCC[C@H](NC(=O)N1CCC(c2n[n-]c(C(=O)OCC)n2)CC1)C1CCCCC1 ZINC000445025954 987157641 /nfs/dbraw/zinc/15/76/41/987157641.db2.gz VKYAROSHVSWEGM-KRWDZBQOSA-N -1 3 405.543 3.619 20 0 HHADHM CCC[C@H](NC(=O)N1CCC(c2nnc(C(=O)OCC)[n-]2)CC1)C1CCCCC1 ZINC000445025954 987157646 /nfs/dbraw/zinc/15/76/46/987157646.db2.gz VKYAROSHVSWEGM-KRWDZBQOSA-N -1 3 405.543 3.619 20 0 HHADHM CCC[C@@H](NC(=O)N1CCC(c2n[n-]c(C(=O)OCC)n2)CC1)C1CCCCC1 ZINC000445025955 987157771 /nfs/dbraw/zinc/15/77/71/987157771.db2.gz VKYAROSHVSWEGM-QGZVFWFLSA-N -1 3 405.543 3.619 20 0 HHADHM CCC[C@@H](NC(=O)N1CCC(c2nnc(C(=O)OCC)[n-]2)CC1)C1CCCCC1 ZINC000445025955 987157777 /nfs/dbraw/zinc/15/77/77/987157777.db2.gz 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CS(=O)(=O)[N-]c1ccc(-c2nc(-c3ccc(Br)cc3F)no2)cc1 ZINC000445456142 987523324 /nfs/dbraw/zinc/52/33/24/987523324.db2.gz MDTYVYPSFKCXKK-UHFFFAOYSA-N -1 3 412.240 3.677 20 0 HHADHM CC(C)[N-]S(=O)(=O)c1cc(-c2nc(C(C)(C)c3ccccc3)no2)ccc1F ZINC000445486200 987546431 /nfs/dbraw/zinc/54/64/31/987546431.db2.gz JRCCGQCHTYNFNT-UHFFFAOYSA-N -1 3 403.479 3.888 20 0 HHADHM O=S(=O)([N-]c1ccccc1F)c1ccc(-c2nc([C@H]3CCCOC3)no2)cc1 ZINC000445519554 987576428 /nfs/dbraw/zinc/57/64/28/987576428.db2.gz HNFHMLFEFTWQRV-AWEZNQCLSA-N -1 3 403.435 3.571 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)C[C@@H]3CCC[C@H]3C)c2)cc1 ZINC000469970155 987587811 /nfs/dbraw/zinc/58/78/11/987587811.db2.gz XNVSOYLGPVJHRA-AEFFLSMTSA-N -1 3 416.543 3.939 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)C[C@H]3CCCCO3)ccc2C)cc1 ZINC000445644384 987718268 /nfs/dbraw/zinc/71/82/68/987718268.db2.gz GHMFTGMBZDEUNM-LJQANCHMSA-N -1 3 418.515 3.702 20 0 HHADHM Cc1ccc(C(=O)NCCc2nc(-c3cnn(-c4cccc(Cl)c4)c3)no2)c([O-])c1 ZINC000445650426 987723758 /nfs/dbraw/zinc/72/37/58/987723758.db2.gz RHZXSOOGHNNXPG-UHFFFAOYSA-N -1 3 423.860 3.562 20 0 HHADHM CC(C)c1nc2ccccc2n1Cc1noc(-c2ccc([N-]S(C)(=O)=O)cc2)n1 ZINC000445660326 987729964 /nfs/dbraw/zinc/72/99/64/987729964.db2.gz OZHFOBTYBFBXIR-UHFFFAOYSA-N -1 3 411.487 3.630 20 0 HHADHM COc1ccccc1C(C)(C)c1noc([C@H](C)[N-]S(=O)(=O)c2ccc(C)cc2)n1 ZINC000445691298 987757000 /nfs/dbraw/zinc/75/70/00/987757000.db2.gz QCDQVQDFZNAYMW-HNNXBMFYSA-N -1 3 415.515 3.752 20 0 HHADHM CCSCCCc1noc(-c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)n1 ZINC000445738044 987801369 /nfs/dbraw/zinc/80/13/69/987801369.db2.gz DEGDCQLDXCUQSO-UHFFFAOYSA-N -1 3 410.496 3.690 20 0 HHADHM CO[C@@H](C)[C@H](C)NC(=O)c1ccc(C)c([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000470207516 988131514 /nfs/dbraw/zinc/13/15/14/988131514.db2.gz DGZLQASUGRTUEA-ROUUACIJSA-N -1 3 418.559 3.874 20 0 HHADHM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCCC2=CCCCCC2)cc1F ZINC000464215461 988332100 /nfs/dbraw/zinc/33/21/00/988332100.db2.gz ROFCEDUIHUKFRY-UHFFFAOYSA-N -1 3 418.556 3.536 20 0 HHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]Cc1cccc(C(=O)N(C)C)c1 ZINC000470559630 988575351 /nfs/dbraw/zinc/57/53/51/988575351.db2.gz QKCMLWVNVLWZSH-UHFFFAOYSA-N -1 3 406.891 3.575 20 0 HHADHM CN1CCC[C@@H](C[N-]S(=O)(=O)c2c(F)cccc2Cl)[C@@H]1c1cccs1 ZINC000464416645 988587321 /nfs/dbraw/zinc/58/73/21/988587321.db2.gz DBEGXPQFFIDSKM-BLLLJJGKSA-N -1 3 402.944 3.902 20 0 HHADHM O=C(NCc1ccc(OCc2ccccc2F)cc1)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000464421321 988592695 /nfs/dbraw/zinc/59/26/95/988592695.db2.gz PYYMMKKLOHIPJZ-UHFFFAOYSA-N -1 3 419.412 3.610 20 0 HHADHM CCSCC[C@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000464710496 988923819 /nfs/dbraw/zinc/92/38/19/988923819.db2.gz NIYCSHCTBUJVLU-AWEZNQCLSA-N -1 3 410.536 3.888 20 0 HHADHM CCCCOC1CCN([C@@H](C)c2nc(=O)c3c(C)c(C(=O)OCC)sc3[n-]2)CC1 ZINC000464860509 989115570 /nfs/dbraw/zinc/11/55/70/989115570.db2.gz QPHNQLXNCNQPTC-AWEZNQCLSA-N -1 3 421.563 3.812 20 0 HHADHM COCCC1(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)CCC1 ZINC000471173592 989301102 /nfs/dbraw/zinc/30/11/02/989301102.db2.gz SAFTWMMYALKZNK-UHFFFAOYSA-N -1 3 402.516 3.941 20 0 HHADHM CO[C@H](CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C)C(C)C ZINC000465204679 989551056 /nfs/dbraw/zinc/55/10/56/989551056.db2.gz ONCVOTZUDKHYCB-HXUWFJFHSA-N -1 3 404.532 3.505 20 0 HHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)c1coc(C2CCCC2)n1 ZINC000471380432 989558921 /nfs/dbraw/zinc/55/89/21/989558921.db2.gz GSGXBOWSPDOBAH-UHFFFAOYSA-N -1 3 417.409 3.975 20 0 HHADHM CC(C)C[C@H]1CCN(C(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000465301551 989661660 /nfs/dbraw/zinc/66/16/60/989661660.db2.gz BTVIHDUWNBJBTF-CYBMUJFWSA-N -1 3 407.363 3.556 20 0 HHADHM COc1cc(S(=O)(=O)[N-]c2ccc(-n3nccc3C(F)(F)F)cc2)ccc1F ZINC000471613512 989817638 /nfs/dbraw/zinc/81/76/38/989817638.db2.gz QTGIFWPUEKMWDW-UHFFFAOYSA-N -1 3 415.368 3.840 20 0 HHADHM COc1cc(OC)cc([C@@H](NC(=O)c2cc([O-])c3ccccc3c2)c2nccn2C)c1 ZINC000471644209 989848884 /nfs/dbraw/zinc/84/88/84/989848884.db2.gz UEQFHUMAKZAWPS-JOCHJYFZSA-N -1 3 417.465 3.816 20 0 HHADHM O=C1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)c(Br)cc2F)c2ccccc21 ZINC000471644706 989850450 /nfs/dbraw/zinc/85/04/50/989850450.db2.gz CBMXRRUVFBTRDH-CYBMUJFWSA-N -1 3 418.671 3.848 20 0 HHADHM CC[C@]1(c2ccc(NC(=O)c3cc([O-])c4ccccc4c3)cc2)CCC(=O)NC1=O ZINC000471865758 990037474 /nfs/dbraw/zinc/03/74/74/990037474.db2.gz ZJHLFJSUEMOSJC-XMMPIXPASA-N -1 3 402.450 3.882 20 0 HHADHM Cc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccc4c(c3)CCC4)n2)cc1F ZINC000471871532 990043883 /nfs/dbraw/zinc/04/38/83/990043883.db2.gz PYRLCRRHRUWJDP-ZDUSSCGKSA-N -1 3 401.463 3.712 20 0 HHADHM CCc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3ccc4ncccc4c3)n2)cc1 ZINC000471873056 990045734 /nfs/dbraw/zinc/04/57/34/990045734.db2.gz BGQLFGWOKFTKFR-CQSZACIVSA-N -1 3 408.483 3.887 20 0 HHADHM COCCOc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2C)c(C)c1 ZINC000471902749 990072939 /nfs/dbraw/zinc/07/29/39/990072939.db2.gz NVBFGAOQDIQZNM-UHFFFAOYSA-N -1 3 414.321 3.892 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)NCC1CCN(c2ccccc2)CC1 ZINC000472035994 990207604 /nfs/dbraw/zinc/20/76/04/990207604.db2.gz BFSKVDOESOMUJD-UHFFFAOYSA-N -1 3 418.335 3.871 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CC[C@@H](C)[C@@H]1c1cccc(F)c1 ZINC000472043523 990212290 /nfs/dbraw/zinc/21/22/90/990212290.db2.gz VAUJWKYPYYPRQE-IVZQSRNASA-N -1 3 420.488 3.822 20 0 HHADHM CCOC(=O)[C@@H](CNC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)c1ccccc1 ZINC000466104028 991282254 /nfs/dbraw/zinc/28/22/54/991282254.db2.gz FGLIAMJRSOQBJZ-IBGZPJMESA-N -1 3 420.469 3.626 20 0 HHADHM COc1cccc(O[C@H](C)CNC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)c1 ZINC000466200651 991398968 /nfs/dbraw/zinc/39/89/68/991398968.db2.gz ZXLQGUMKAVSCGI-CQSZACIVSA-N -1 3 408.458 3.755 20 0 HHADHM COc1ccc(C(C)(C)C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)cc1OC ZINC000466295203 991545753 /nfs/dbraw/zinc/54/57/53/991545753.db2.gz CWIYDUGQKSPBCW-UHFFFAOYSA-N -1 3 407.470 3.679 20 0 HHADHM Cc1ccccc1C[C@H](CO)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000466727868 992038268 /nfs/dbraw/zinc/03/82/68/992038268.db2.gz GDTDLDIKNQSDFC-CQSZACIVSA-N -1 3 407.841 3.549 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]Cc1cccc2cc[nH]c21 ZINC000466744466 992051807 /nfs/dbraw/zinc/05/18/07/992051807.db2.gz FCNLLCCAPIUNOS-UHFFFAOYSA-N -1 3 400.481 3.648 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]c2ccc(CN(C)C)c(Br)c2)ccc1F ZINC000466957783 992268149 /nfs/dbraw/zinc/26/81/49/992268149.db2.gz MQLGAPWDVHAMRG-UHFFFAOYSA-N -1 3 401.301 3.759 20 0 HHADHM CN(C)Cc1ccc([N-]S(=O)(=O)c2ccc3ncccc3c2)cc1Br ZINC000466963719 992274467 /nfs/dbraw/zinc/27/44/67/992274467.db2.gz LFHSVZAQRBHTFK-UHFFFAOYSA-N -1 3 420.332 3.860 20 0 HHADHM O=S(=O)([N-]c1cc(Cl)ccc1F)c1ccc(OC[C@H]2CCOC2)c(F)c1 ZINC000466970764 992282245 /nfs/dbraw/zinc/28/22/45/992282245.db2.gz IAGJZTPNOINEEM-NSHDSACASA-N -1 3 403.834 3.834 20 0 HHADHM Cc1cc(N(C)C)cc(C)c1[N-]S(=O)(=O)c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC000467026503 992334856 /nfs/dbraw/zinc/33/48/56/992334856.db2.gz ZQKXEGTXDUCJCH-MRXNPFEDSA-N -1 3 422.522 3.725 20 0 HHADHM CCn1c2ccc(S(=O)(=O)[N-]c3ccc4nc(C5CCC5)[nH]c4c3)cc2oc1=O ZINC000467037575 992346748 /nfs/dbraw/zinc/34/67/48/992346748.db2.gz YHZDHKHIKILHJS-UHFFFAOYSA-N -1 3 412.471 3.559 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OCCC(C)C)cc2)cc1C(=O)N(C)C ZINC000467076753 992382267 /nfs/dbraw/zinc/38/22/67/992382267.db2.gz XTLYVYPRBGLRMH-UHFFFAOYSA-N -1 3 420.531 3.623 20 0 HHADHM COC[C@H]1CCCCN(Cc2nc(=O)c3sc(-c4ccc(OC)cc4)cc3[n-]2)C1 ZINC000467266850 992588829 /nfs/dbraw/zinc/58/88/29/992588829.db2.gz AFFHRNVWAPQLJN-HNNXBMFYSA-N -1 3 413.543 3.909 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)NC[C@@]1(C)CCCS1 ZINC000467328002 992649467 /nfs/dbraw/zinc/64/94/67/992649467.db2.gz QFKQOXDCSMPVPD-HXUWFJFHSA-N -1 3 422.547 3.950 20 0 HHADHM O=c1[nH]c2cc(Br)c(S(=O)(=O)[N-]c3ccc(Cl)cc3F)cc2[nH]1 ZINC000467332655 992654324 /nfs/dbraw/zinc/65/43/24/992654324.db2.gz ZQNBQCZLIMVKCL-UHFFFAOYSA-N -1 3 420.647 3.624 20 0 HHADHM CC(C)(C)c1nc2ccc([N-]S(=O)(=O)c3cccc(C(=O)NC4CC4)c3)cc2[nH]1 ZINC000467415425 992718144 /nfs/dbraw/zinc/71/81/44/992718144.db2.gz BIZNQIRKZWNLQG-UHFFFAOYSA-N -1 3 412.515 3.553 20 0 HHADHM Cc1cc(N2CCCC[C@@H]2C)ccc1[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000467425644 992725760 /nfs/dbraw/zinc/72/57/60/992725760.db2.gz QGBLPLRIZQCLKO-INIZCTEOSA-N -1 3 422.572 3.578 20 0 HHADHM CCN(C)S(=O)(=O)[N-]c1ccc(-c2cccc(C(F)(F)F)c2)cc1C(=O)OC ZINC000467762709 993006848 /nfs/dbraw/zinc/00/68/48/993006848.db2.gz OPKPHJBMGXOMCK-UHFFFAOYSA-N -1 3 416.421 3.767 20 0 HHADHM CSCCCN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000467790536 993026497 /nfs/dbraw/zinc/02/64/97/993026497.db2.gz VDLKXZQVOKDKAG-UHFFFAOYSA-N -1 3 410.536 3.760 20 0 HHADHM CC[C@@H]1CN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)ccc2C)CCCO1 ZINC000467805721 993039545 /nfs/dbraw/zinc/03/95/45/993039545.db2.gz OCWCCPJNOPTVAS-LJQANCHMSA-N -1 3 416.543 3.745 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CC[C@H](c2ccccc2)C[C@@H]1C ZINC000467862485 993093153 /nfs/dbraw/zinc/09/31/53/993093153.db2.gz 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ZINC000480728385 993596312 /nfs/dbraw/zinc/59/63/12/993596312.db2.gz MCKJPDQOWJIQEA-JTQLQIEISA-N -1 3 401.834 3.757 20 0 HHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](CO)Cc2ccc(F)c(F)c2)c1Cl ZINC000480768361 993633928 /nfs/dbraw/zinc/63/39/28/993633928.db2.gz GFQHWLRYMIIVGE-GFCCVEGCSA-N -1 3 424.296 3.710 20 0 HHADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]C(C)(C)c2cccc(Cl)c2F)s1 ZINC000472738010 993667522 /nfs/dbraw/zinc/66/75/22/993667522.db2.gz RJSPLEFHJNCGPC-UHFFFAOYSA-N -1 3 421.899 3.549 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCCC4(CC4)C3)c2)cc1 ZINC000472755101 993691280 /nfs/dbraw/zinc/69/12/80/993691280.db2.gz TWQUGQMZIHTOEH-UHFFFAOYSA-N -1 3 414.527 3.821 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2C[C@H](C)[C@H]2c2ccccc2)cc1OC ZINC000480821603 993697118 /nfs/dbraw/zinc/69/71/18/993697118.db2.gz NFJHBXKPPABGGB-LIRRHRJNSA-N -1 3 403.504 3.682 20 0 HHADHM CCOC(=O)[C@H]([N-]S(=O)(=O)Cc1cccc2cccnc21)c1cccc(C)c1C ZINC000472760458 993699180 /nfs/dbraw/zinc/69/91/80/993699180.db2.gz WRFIZRNIMFSKIZ-OAQYLSRUSA-N -1 3 412.511 3.575 20 0 HHADHM Cc1nc2cc(C(=O)Nc3nnc(C(F)(F)F)[n-]3)ccc2n1Cc1ccsc1 ZINC000472786250 993725304 /nfs/dbraw/zinc/72/53/04/993725304.db2.gz JUSXKHIETZLFLZ-UHFFFAOYSA-N -1 3 406.393 3.844 20 0 HHADHM Cc1nc2cc(C(=O)Nc3nc(C(F)(F)F)n[n-]3)ccc2n1Cc1ccsc1 ZINC000472786250 993725316 /nfs/dbraw/zinc/72/53/16/993725316.db2.gz JUSXKHIETZLFLZ-UHFFFAOYSA-N -1 3 406.393 3.844 20 0 HHADHM CC(C)COC[C@H]([N-]S(=O)(=O)Cc1ccc(Br)cc1)c1ccco1 ZINC000480983675 993825002 /nfs/dbraw/zinc/82/50/02/993825002.db2.gz BNQLMUGWEKYNNT-INIZCTEOSA-N -1 3 416.337 3.875 20 0 HHADHM O=C(c1cc(NCc2ccccc2)nc2ccccc21)N1CCc2nc[n-]c(=O)c2C1 ZINC000481112221 993949806 /nfs/dbraw/zinc/94/98/06/993949806.db2.gz PUUVIFQEDQSQBV-UHFFFAOYSA-N -1 3 411.465 3.541 20 0 HHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1)c1ccc(Br)s1 ZINC000481222955 994054400 /nfs/dbraw/zinc/05/44/00/994054400.db2.gz CCBHSIINSBSBTM-UONOGXRCSA-N -1 3 424.345 3.531 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCCC3(C)CC3)c2)cc1 ZINC000473263175 994113625 /nfs/dbraw/zinc/11/36/25/994113625.db2.gz NOYRJBFHUAFJFU-UHFFFAOYSA-N -1 3 402.516 3.724 20 0 HHADHM CCC1(c2ccc(Cl)cc2)CCN(C(=O)c2cncc([N-]S(C)(=O)=O)c2)CC1 ZINC000473323405 994185911 /nfs/dbraw/zinc/18/59/11/994185911.db2.gz FTDHKXODYGKPJH-UHFFFAOYSA-N -1 3 421.950 3.691 20 0 HHADHM C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000473396776 994250743 /nfs/dbraw/zinc/25/07/43/994250743.db2.gz XUDDYIGOYMNHDE-UFBFGSQYSA-N -1 3 403.198 3.704 20 0 HHADHM CN(C)c1nc(C(=O)Nc2cccnc2Oc2ccc(Cl)cc2Cl)cc(=O)[n-]1 ZINC000473404584 994258490 /nfs/dbraw/zinc/25/84/90/994258490.db2.gz DZTNORMVUNWOHJ-UHFFFAOYSA-N -1 3 420.256 3.995 20 0 HHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc(-c4cncnc4)cc3F)cc2)n1 ZINC000481539964 994371443 /nfs/dbraw/zinc/37/14/43/994371443.db2.gz FLYRJQKAJRACRZ-UHFFFAOYSA-N -1 3 401.401 3.594 20 0 HHADHM COc1cc(C(=O)N2CCN([C@@H](C)c3ccccc3Cl)CC2)cc(OC)c1[O-] ZINC000481601250 994451236 /nfs/dbraw/zinc/45/12/36/994451236.db2.gz WSMLRLITEPKDTJ-AWEZNQCLSA-N -1 3 404.894 3.582 20 0 HHADHM O=C(NCc1ncccc1[O-])[C@@H](Oc1ccc(Br)cc1)c1ccccc1 ZINC000473641853 994524441 /nfs/dbraw/zinc/52/44/41/994524441.db2.gz WTAUXMQBAGSYIH-IBGZPJMESA-N -1 3 413.271 3.986 20 0 HHADHM O=C(CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)NCc1ncccc1[O-] ZINC000473644519 994527523 /nfs/dbraw/zinc/52/75/23/994527523.db2.gz RZKJXIJCKBIZTN-UHFFFAOYSA-N -1 3 407.257 3.783 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)c1 ZINC000481807274 994655354 /nfs/dbraw/zinc/65/53/54/994655354.db2.gz RBKRBQOSKVETAV-CZIWCDLHSA-N -1 3 409.417 3.756 20 0 HHADHM CCc1cc(C)cc(CC)c1[N-]S(=O)(=O)c1ccc(OCc2ncnn2C)cc1 ZINC000481865032 994726166 /nfs/dbraw/zinc/72/61/66/994726166.db2.gz HEXHOQYLGQEPRF-UHFFFAOYSA-N -1 3 414.531 3.628 20 0 HHADHM O=C(Cc1cccc(OCc2ccc(Cl)cc2)c1)NCc1nc(C(F)(F)F)n[n-]1 ZINC000481906956 994778913 /nfs/dbraw/zinc/77/89/13/994778913.db2.gz SQGAXFPDPJJMKY-UHFFFAOYSA-N -1 3 424.810 3.915 20 0 HHADHM Cc1cc(C)c(C[C@@H](C(=O)NCc2nc(C(F)(F)F)n[n-]2)C(F)(F)F)c(C)c1 ZINC000481916107 994787896 /nfs/dbraw/zinc/78/78/96/994787896.db2.gz WQULLVDTCVJMHB-LBPRGKRZSA-N -1 3 408.346 3.786 20 0 HHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1ccc(-c2nc3ccccc3s2)o1 ZINC000473893907 994848502 /nfs/dbraw/zinc/84/85/02/994848502.db2.gz DGYJHMMWBWCPFB-UHFFFAOYSA-N -1 3 402.439 3.913 20 0 HHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1ccc(-c2nc3ccccc3s2)o1 ZINC000473893907 994848511 /nfs/dbraw/zinc/84/85/11/994848511.db2.gz DGYJHMMWBWCPFB-UHFFFAOYSA-N -1 3 402.439 3.913 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3C(N)=O)cc2)cc1F ZINC000481967200 994855755 /nfs/dbraw/zinc/85/57/55/994855755.db2.gz PZXVTOHNQGOZTH-UHFFFAOYSA-N -1 3 416.430 3.526 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(C(=O)N3CCCCC3)cc2)sc1Cl ZINC000473902584 994861474 /nfs/dbraw/zinc/86/14/74/994861474.db2.gz DBNLFMUUOHDIBF-UHFFFAOYSA-N -1 3 412.964 3.815 20 0 HHADHM Cc1ccccc1[C@H]([C@@H](C)[N-]S(=O)(=O)c1sccc1Br)N(C)C ZINC000473959280 994938923 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20 0 HHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCOc3c(C)cccc32)cc1Cl ZINC000474378584 995355762 /nfs/dbraw/zinc/35/57/62/995355762.db2.gz QHXGPQWNMUYRLM-OAHLLOKOSA-N -1 3 412.870 3.548 20 0 HHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cccc(COCC(F)(F)C(F)F)c1 ZINC000474519440 995483212 /nfs/dbraw/zinc/48/32/12/995483212.db2.gz NJUHIEQDZICQIM-UHFFFAOYSA-N -1 3 419.400 3.882 20 0 HHADHM CCOc1ccccc1Oc1ccccc1C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000482537462 995546158 /nfs/dbraw/zinc/54/61/58/995546158.db2.gz UPPUQRZCBCTZDQ-UHFFFAOYSA-N -1 3 415.453 3.988 20 0 HHADHM CCOc1ccccc1Oc1ccccc1C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000482537462 995546168 /nfs/dbraw/zinc/54/61/68/995546168.db2.gz UPPUQRZCBCTZDQ-UHFFFAOYSA-N -1 3 415.453 3.988 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)NCc1ccccc1OCC1CC1 ZINC000482625557 995620207 /nfs/dbraw/zinc/62/02/07/995620207.db2.gz ZGKJTOINIVNPMH-UHFFFAOYSA-N -1 3 405.292 3.943 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC(C)=C(C)C3)ccc2C)cc1 ZINC000482867041 995803693 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408.520 3.594 20 0 HHADHM CC(C)CNC(=O)c1ccc(NC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000482972704 995891799 /nfs/dbraw/zinc/89/17/99/995891799.db2.gz BUYGGMVJQQBDKW-UHFFFAOYSA-N -1 3 420.307 3.862 20 0 HHADHM CC(C)COc1ccc(C(C)(C)CNC(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000483012786 995919212 /nfs/dbraw/zinc/91/92/12/995919212.db2.gz CMQVABPPKZQJKL-UHFFFAOYSA-N -1 3 413.444 3.635 20 0 HHADHM Cc1cccc2c(=O)c(C(=O)Nc3ccc(CS(=O)(=O)C(C)(C)C)cc3)c[n-]c12 ZINC000483115426 995985264 /nfs/dbraw/zinc/98/52/64/995985264.db2.gz FPWWQVSMBUXVFQ-UHFFFAOYSA-N -1 3 412.511 3.802 20 0 HHADHM O=c1[n-]c(CN[C@H](CO)c2ccccc2OC(F)(F)F)nc2c3ccccc3oc21 ZINC000483118121 995986769 /nfs/dbraw/zinc/98/67/69/995986769.db2.gz PUSVZNGWEWENAI-CYBMUJFWSA-N -1 3 419.359 3.803 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CS(=O)(=O)C3CCCCC3)c2)cc1 ZINC000483164992 996012952 /nfs/dbraw/zinc/01/29/52/996012952.db2.gz GRFWPBYYJAFWLX-UHFFFAOYSA-N -1 3 423.556 3.744 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1ccc(O[C@H]2CCOC2)cc1 ZINC000483177198 996019440 /nfs/dbraw/zinc/01/94/40/996019440.db2.gz YZWPSECIFKKMGS-HNNXBMFYSA-N -1 3 407.264 3.644 20 0 HHADHM Cc1nc(CC2CC2)oc1C(=O)[N-]c1ncn(Cc2cccc(Br)c2)n1 ZINC000475260805 996030589 /nfs/dbraw/zinc/03/05/89/996030589.db2.gz RBWMQNZLYRZJKR-UHFFFAOYSA-N -1 3 416.279 3.590 20 0 HHADHM C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483539720 996239998 /nfs/dbraw/zinc/23/99/98/996239998.db2.gz FIBKWESZKDDGKD-SSDOTTSWSA-N -1 3 408.211 3.959 20 0 HHADHM C[C@@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483547509 996243792 /nfs/dbraw/zinc/24/37/92/996243792.db2.gz VFQQJQDYYGTRHA-SSDOTTSWSA-N -1 3 408.211 3.959 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000483561810 996252093 /nfs/dbraw/zinc/25/20/93/996252093.db2.gz BRRJHKJIHKVMGG-INIZCTEOSA-N -1 3 401.392 3.833 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N(Cc1cccs1)Cc1cccs1 ZINC000483566267 996254512 /nfs/dbraw/zinc/25/45/12/996254512.db2.gz WBJOVQOCEKJPPS-UHFFFAOYSA-N -1 3 401.439 3.859 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CCC[C@H]1c1ccc(Br)s1 ZINC000483570761 996258184 /nfs/dbraw/zinc/25/81/84/996258184.db2.gz GHAMDCMMUAKXMM-ZETCQYMHSA-N -1 3 424.246 3.694 20 0 HHADHM CCN(C(=O)c1nn(-c2ccccc2)cc1[O-])[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000475657559 996281870 /nfs/dbraw/zinc/28/18/70/996281870.db2.gz UMHGWXWNCMUNMB-RXVVDRJESA-N -1 3 404.514 3.876 20 0 HHADHM Cc1sc(C[N-]S(=O)(=O)c2ccc(Br)cc2F)nc1C(C)C ZINC000475773041 996362027 /nfs/dbraw/zinc/36/20/27/996362027.db2.gz LLRSCQCKMHCWKB-UHFFFAOYSA-N -1 3 407.330 3.955 20 0 HHADHM Cc1cc(F)c(S(=O)(=O)[N-]CCc2nc3ccccc3n2C(F)F)cc1F ZINC000475773222 996362104 /nfs/dbraw/zinc/36/21/04/996362104.db2.gz PWIBMFKQQFAERA-UHFFFAOYSA-N -1 3 401.385 3.539 20 0 HHADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OCCCOC)c1nccs1 ZINC000475789294 996372414 /nfs/dbraw/zinc/37/24/14/996372414.db2.gz CXBASKPYSYMYAM-CYBMUJFWSA-N -1 3 404.941 3.641 20 0 HHADHM Cc1ccn(-c2ccccc2NC(=O)NCc2ccc([O-])c(Br)c2)n1 ZINC000483786641 996387087 /nfs/dbraw/zinc/38/70/87/996387087.db2.gz PQIXBZYKPFHJHE-UHFFFAOYSA-N -1 3 401.264 3.971 20 0 HHADHM COc1cc(OC)c(OC)cc1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000484060370 996547212 /nfs/dbraw/zinc/54/72/12/996547212.db2.gz WGGSHXOUEOVVQT-UHFFFAOYSA-N -1 3 411.252 3.502 20 0 HHADHM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc3nc(-c4ccccn4)[nH]c3c2)c1 ZINC000484145552 996597660 /nfs/dbraw/zinc/59/76/60/996597660.db2.gz SKOKBKYPVBGYHS-UHFFFAOYSA-N -1 3 422.466 3.521 20 0 HHADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N(Cc1cccs1)C[C@H]1CCCO1 ZINC000484252053 996660092 /nfs/dbraw/zinc/66/00/92/996660092.db2.gz ADAAAJKAEBNGNX-CYBMUJFWSA-N -1 3 404.438 3.689 20 0 HHADHM O=C(CN1c2cccc3cccc(c23)S1(=O)=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000476182345 996662001 /nfs/dbraw/zinc/66/20/01/996662001.db2.gz ZHEZRLFDIITRKI-UHFFFAOYSA-N -1 3 422.384 3.712 20 0 HHADHM O=C([N-]c1ncc(F)cc1I)c1cc(-c2ccccc2)no1 ZINC000476211074 996680164 /nfs/dbraw/zinc/68/01/64/996680164.db2.gz YDPIAXOTNNAYQG-UHFFFAOYSA-N -1 3 409.158 3.733 20 0 HHADHM COc1ccc(Oc2ccc(S(=O)(=O)[N-]c3cc(CN(C)C)ccn3)cc2)cc1 ZINC000484425775 996759449 /nfs/dbraw/zinc/75/94/49/996759449.db2.gz CEUQXQQECFBOFW-UHFFFAOYSA-N -1 3 413.499 3.745 20 0 HHADHM COC(=O)c1cnc(SCC(=O)NCCC(c2ccccc2)c2ccccc2)[n-]1 ZINC000484561674 996895509 /nfs/dbraw/zinc/89/55/09/996895509.db2.gz ZZGKQJGCOGORRV-UHFFFAOYSA-N -1 3 409.511 3.627 20 0 HHADHM Cc1nc(C)c(CC(=O)N(Cc2cccc(Br)c2)CC2CC2)c(=O)[n-]1 ZINC000476551760 997045058 /nfs/dbraw/zinc/04/50/58/997045058.db2.gz VYUQSCVZVWHJPS-UHFFFAOYSA-N -1 3 404.308 3.543 20 0 HHADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@H](C)c2cc(Cl)ccc2Cl)s1 ZINC000484752851 997095383 /nfs/dbraw/zinc/09/53/83/997095383.db2.gz KECJPFPSWDBAFB-MRVPVSSYSA-N -1 3 424.327 3.890 20 0 HHADHM CCOC[C@@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C)C(C)C ZINC000476596546 997101318 /nfs/dbraw/zinc/10/13/18/997101318.db2.gz GGQAOBYWMGDQGY-OAQYLSRUSA-N -1 3 418.559 3.895 20 0 HHADHM COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(NC(C)=O)c3ccccc32)c1 ZINC000476596962 997102703 /nfs/dbraw/zinc/10/27/03/997102703.db2.gz MAQHDQQHSWIPDM-UHFFFAOYSA-N -1 3 416.430 3.525 20 0 HHADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)C2CCC2)s1 ZINC000484787394 997137029 /nfs/dbraw/zinc/13/70/29/997137029.db2.gz IMBLWVOUFRPIMO-MRXNPFEDSA-N -1 3 413.492 3.502 20 0 HHADHM COc1ccccc1-n1cc(S(=O)(=O)[N-]C[C@@H]2CCCC[C@@H]2C(F)(F)F)cn1 ZINC000484790098 997140659 /nfs/dbraw/zinc/14/06/59/997140659.db2.gz UQSGCTJOBWYNMN-ZFWWWQNUSA-N -1 3 417.453 3.528 20 0 HHADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O ZINC000476751584 997307732 /nfs/dbraw/zinc/30/77/32/997307732.db2.gz YIFLYKOKVCLLIH-UHFFFAOYSA-N -1 3 413.796 3.759 20 0 HHADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(CSCC(=O)OC)c2)c(C)c1 ZINC000485028638 997393517 /nfs/dbraw/zinc/39/35/17/997393517.db2.gz XRRAGECMHRHVKQ-UHFFFAOYSA-N -1 3 409.529 3.601 20 0 HHADHM COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)c1 ZINC000485093427 997467804 /nfs/dbraw/zinc/46/78/04/997467804.db2.gz NSKYQSDLPKQNMC-HOCLYGCPSA-N -1 3 404.426 3.977 20 0 HHADHM CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485104337 997483452 /nfs/dbraw/zinc/48/34/52/997483452.db2.gz ZVCGDJRXHYYEKQ-QGZVFWFLSA-N -1 3 417.469 3.684 20 0 HHADHM COCc1nnc(-c2cccc(C(=O)Nc3nnc(-c4cc5ccccc5o4)[n-]3)c2)o1 ZINC000485114225 997496356 /nfs/dbraw/zinc/49/63/56/997496356.db2.gz SJCNBSUOWVOLOH-UHFFFAOYSA-N -1 3 416.397 3.667 20 0 HHADHM COCc1nnc(-c2cccc(C(=O)Nc3n[n-]c(-c4cc5ccccc5o4)n3)c2)o1 ZINC000485114225 997496363 /nfs/dbraw/zinc/49/63/63/997496363.db2.gz SJCNBSUOWVOLOH-UHFFFAOYSA-N -1 3 416.397 3.667 20 0 HHADHM CCS(=O)(=O)c1ccc(CCC(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)cc1 ZINC000485117367 997500562 /nfs/dbraw/zinc/50/05/62/997500562.db2.gz CBIQAGDMNOMWJL-UHFFFAOYSA-N -1 3 424.482 3.583 20 0 HHADHM COc1ccc(C)cc1-n1ccc(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)n1 ZINC000485126463 997511406 /nfs/dbraw/zinc/51/14/06/997511406.db2.gz HJDNVEOYYITAAN-UHFFFAOYSA-N -1 3 414.425 3.973 20 0 HHADHM COc1ccc(C)cc1-n1ccc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)n1 ZINC000485126463 997511422 /nfs/dbraw/zinc/51/14/22/997511422.db2.gz HJDNVEOYYITAAN-UHFFFAOYSA-N -1 3 414.425 3.973 20 0 HHADHM O=C(N1CCc2nc[n-]c(=O)c2C1)C1(c2cccc(Br)c2)CCCCC1 ZINC000476964182 997580028 /nfs/dbraw/zinc/58/00/28/997580028.db2.gz FKROLFWYHZDMHE-UHFFFAOYSA-N -1 3 416.319 3.732 20 0 HHADHM Cc1ccc2c(c1C)OC[C@H]2[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000476981330 997601547 /nfs/dbraw/zinc/60/15/47/997601547.db2.gz OQFJJCLMUFFOEJ-CQSZACIVSA-N -1 3 400.269 3.617 20 0 HHADHM COC(=O)c1cccc2[n-]c(NC(=O)Cc3nc(-c4ccc(F)cc4)cs3)nc21 ZINC000477101092 997754232 /nfs/dbraw/zinc/75/42/32/997754232.db2.gz OQYGJINRLNIXCQ-UHFFFAOYSA-N -1 3 410.430 3.793 20 0 HHADHM Cc1c([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000485391575 997819990 /nfs/dbraw/zinc/81/99/90/997819990.db2.gz QZLAFZZKHDWQFU-UHFFFAOYSA-N -1 3 412.298 3.592 20 0 HHADHM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1cccc(NC(=O)[C@H](C)n2cccn2)c1 ZINC000485392413 997820218 /nfs/dbraw/zinc/82/02/18/997820218.db2.gz GNWIYMGQXYFEDF-HNNXBMFYSA-N -1 3 416.478 3.640 20 0 HHADHM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccc2nc(N3CCOCC3)sc2c1 ZINC000485398776 997827751 /nfs/dbraw/zinc/82/77/51/997827751.db2.gz MPYAJHJVJHYLIE-UHFFFAOYSA-N -1 3 421.519 3.690 20 0 HHADHM CC[C@H](C)n1ncc(NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)c1C1CC1 ZINC000477243372 997916499 /nfs/dbraw/zinc/91/64/99/997916499.db2.gz HZUAJMDWSKBFMM-AWEZNQCLSA-N -1 3 420.517 3.757 20 0 HHADHM CCC[C@@H](NC(=O)NCc1ccc([O-])c(Br)c1)c1nnc2ccccn21 ZINC000485509325 997966271 /nfs/dbraw/zinc/96/62/71/997966271.db2.gz ZWJIJELCCKGKBK-CQSZACIVSA-N -1 3 418.295 3.538 20 0 HHADHM Cc1ccc(NC(=O)CCc2c[nH]cn2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000477295645 997981766 /nfs/dbraw/zinc/98/17/66/997981766.db2.gz XEFUNZZQFZIPMU-UHFFFAOYSA-N -1 3 418.906 3.744 20 0 HHADHM Cc1ccc(NC(=O)CCc2cnc[nH]2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000477295645 997981776 /nfs/dbraw/zinc/98/17/76/997981776.db2.gz XEFUNZZQFZIPMU-UHFFFAOYSA-N -1 3 418.906 3.744 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)Nc3ccc4ccc(=O)n(C)c4c3)cc2)cc(=O)[n-]1 ZINC000485577040 998025153 /nfs/dbraw/zinc/02/51/53/998025153.db2.gz DASWLCOXEPOXAW-UHFFFAOYSA-N -1 3 401.426 3.654 20 0 HHADHM CCc1cc(=O)[n-]c(CSCC(=O)NCc2ccccc2OC2CCCC2)n1 ZINC000477351582 998039303 /nfs/dbraw/zinc/03/93/03/998039303.db2.gz MLZHHXDGEKZNML-UHFFFAOYSA-N -1 3 401.532 3.616 20 0 HHADHM CC(C)[C@@H](NC(=O)NCc1ccc([O-])c(Br)c1)c1nc(C2CC2)no1 ZINC000485617788 998064921 /nfs/dbraw/zinc/06/49/21/998064921.db2.gz WFLFKTJOOYOMGT-CQSZACIVSA-N -1 3 409.284 3.612 20 0 HHADHM COc1ccc(-c2nnc(NC(=O)c3c[n-]c4c(C)cc(F)cc4c3=O)s2)cc1 ZINC000477414876 998100584 /nfs/dbraw/zinc/10/05/84/998100584.db2.gz UIPAORNQEQPMQT-UHFFFAOYSA-N -1 3 410.430 3.755 20 0 HHADHM Cc1noc2ncc(S(=O)(=O)[N-]c3ccc(Cl)cc3Br)cc12 ZINC000477428250 998120399 /nfs/dbraw/zinc/12/03/99/998120399.db2.gz QPCXWGMILRLHML-UHFFFAOYSA-N -1 3 402.657 3.748 20 0 HHADHM CCc1ncc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)ccc2C)cn1 ZINC000477435770 998131917 /nfs/dbraw/zinc/13/19/17/998131917.db2.gz IIGBMIZHIHMZNZ-UHFFFAOYSA-N -1 3 410.499 3.709 20 0 HHADHM Cc1cc(-c2noc([C@H](C)[N-]S(=O)(=O)c3c[nH]c4cccc(F)c43)n2)ccc1F ZINC000477452577 998157955 /nfs/dbraw/zinc/15/79/55/998157955.db2.gz LWILTRBCWHFOOG-NSHDSACASA-N -1 3 418.425 3.844 20 0 HHADHM CCCCc1nc(NC(=O)c2cc(OC)ccc2Br)c(C(=O)OCC)[n-]1 ZINC000485708620 998174735 /nfs/dbraw/zinc/17/47/35/998174735.db2.gz HSGFDQRZWAFTTQ-UHFFFAOYSA-N -1 3 424.295 3.952 20 0 HHADHM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)C(F)(F)F)c1C ZINC000485998206 998442191 /nfs/dbraw/zinc/44/21/91/998442191.db2.gz CIPMZODQCKOJFR-HNNXBMFYSA-N -1 3 422.400 3.529 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)Nc2ccc(O)cc2SC)cc1OC ZINC000486126262 998574522 /nfs/dbraw/zinc/57/45/22/998574522.db2.gz WPEKBDRBEKSGEQ-UHFFFAOYSA-N -1 3 411.505 3.528 20 0 HHADHM Cc1ccc(NC(=O)[C@@H]2CCCOCC2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000486368748 998731692 /nfs/dbraw/zinc/73/16/92/998731692.db2.gz UHHGHRCIEGIBOG-OAHLLOKOSA-N -1 3 406.479 3.690 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H](CO)c1ccccc1OC(F)(F)F ZINC000478147150 998786791 /nfs/dbraw/zinc/78/67/91/998786791.db2.gz IFIGRKYOQWZQLE-HNNXBMFYSA-N -1 3 401.356 3.602 20 0 HHADHM O=S(=O)([N-]c1cc(F)cc(Br)c1F)c1ccc2c(c1)CCCO2 ZINC000486550650 998820922 /nfs/dbraw/zinc/82/09/22/998820922.db2.gz QCFPDTRKDITVBC-UHFFFAOYSA-N -1 3 404.232 3.853 20 0 HHADHM CCc1ccc([C@@H]2COCCN2C(=O)NCc2ccc([O-])c(Br)c2)o1 ZINC000486640626 998870936 /nfs/dbraw/zinc/87/09/36/998870936.db2.gz OAYNMRCFNLRDDT-HNNXBMFYSA-N -1 3 409.280 3.593 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)N(Cc1ccco1)C[C@H]1CCCO1 ZINC000486649994 998875678 /nfs/dbraw/zinc/87/56/78/998875678.db2.gz JASNAJPOCWPPMV-OAHLLOKOSA-N -1 3 409.280 3.639 20 0 HHADHM COc1cc(CN(C(=O)NCc2ccc([O-])c(Br)c2)C2CC2)ccc1O ZINC000486651695 998876473 /nfs/dbraw/zinc/87/64/73/998876473.db2.gz OGCYTODHRUDGCW-UHFFFAOYSA-N -1 3 421.291 3.743 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)N3CCCC3)c2)n1 ZINC000486675367 998888349 /nfs/dbraw/zinc/88/83/49/998888349.db2.gz WZNYURVOOYVTSA-WOJBJXKFSA-N -1 3 422.529 3.779 20 0 HHADHM COc1cc(C(=O)NCc2ccc(-n3cnc4ccccc43)cc2)cc(OC)c1[O-] ZINC000486678581 998889642 /nfs/dbraw/zinc/88/96/42/998889642.db2.gz XZVXKJPCDSEULA-UHFFFAOYSA-N -1 3 403.438 3.678 20 0 HHADHM O=S(=O)([N-][C@@H](c1ccc(F)cc1)C(F)(F)F)c1c[nH]c2nccc(Cl)c12 ZINC000486701658 998898786 /nfs/dbraw/zinc/89/87/86/998898786.db2.gz OPQPVRALARXVDY-ZDUSSCGKSA-N -1 3 407.776 3.937 20 0 HHADHM O=S(=O)([N-][C@H]1CCOC2(CCCC2)C1)c1cc(Br)ccc1Cl ZINC000486708391 998902623 /nfs/dbraw/zinc/90/26/23/998902623.db2.gz IVOCHAOQNCNQFA-LBPRGKRZSA-N -1 3 408.745 3.873 20 0 HHADHM CC[C@@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1cc(F)cc(Br)c1 ZINC000486864759 998979910 /nfs/dbraw/zinc/97/99/10/998979910.db2.gz GFPVROCBXJGODN-SNVBAGLBSA-N -1 3 424.196 3.676 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C[C@@H](C)c2ccccc2OC)cc1OC ZINC000486924468 999008397 /nfs/dbraw/zinc/00/83/97/999008397.db2.gz INTHMZXAFGWAFI-CQSZACIVSA-N -1 3 406.504 3.598 20 0 HHADHM CC(C)[C@@H]1CCCC[C@H]1NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000487111098 999065175 /nfs/dbraw/zinc/06/51/75/999065175.db2.gz RMOLPACIFMSESO-DOTOQJQBSA-N -1 3 407.511 3.899 20 0 HHADHM COc1cc([N-]S(=O)(=O)c2ccc(OC)c(Br)c2)c(C)cc1C ZINC000478684016 999087759 /nfs/dbraw/zinc/08/77/59/999087759.db2.gz JAPCADQEKZVLDD-UHFFFAOYSA-N -1 3 400.294 3.884 20 0 HHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NC[C@H](c1ccccc1)C(F)(F)F ZINC000487268834 999118944 /nfs/dbraw/zinc/11/89/44/999118944.db2.gz HHAMQHDSKHBMTD-QGZVFWFLSA-N -1 3 416.403 3.557 20 0 HHADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000478760150 999126846 /nfs/dbraw/zinc/12/68/46/999126846.db2.gz PJMRKIPETMAHRR-AWEZNQCLSA-N -1 3 403.273 3.623 20 0 HHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H]1CCCO[C@@H]1CC(C)C ZINC000478761848 999127784 /nfs/dbraw/zinc/12/77/84/999127784.db2.gz SDLAIAHOAHJDMR-HUUCEWRRSA-N -1 3 411.545 3.560 20 0 HHADHM Cc1ncc(S(=O)(=O)[N-][C@@H](c2cc(F)cc(Br)c2)C2CC2)s1 ZINC000478769440 999131875 /nfs/dbraw/zinc/13/18/75/999131875.db2.gz QSHOUEPEFQECJK-CQSZACIVSA-N -1 3 405.314 3.783 20 0 HHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)Nc3cc(C)c(O)c(C)c3)cs2)c1 ZINC000478803452 999148728 /nfs/dbraw/zinc/14/87/28/999148728.db2.gz XCZMGTMPACKKNH-UHFFFAOYSA-N -1 3 411.483 3.913 20 0 HHADHM Cc1cc(NC(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc(C)c1O ZINC000478804311 999149163 /nfs/dbraw/zinc/14/91/63/999149163.db2.gz IRFODMQEKOTDAW-UHFFFAOYSA-N -1 3 417.314 3.623 20 0 HHADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2nnc([C@H](C)N(C)C)n2-c2ccc(F)cc2)n1 ZINC000487468280 999188606 /nfs/dbraw/zinc/18/86/06/999188606.db2.gz GGGLFVKKYYWJTR-QWHCGFSZSA-N -1 3 402.499 3.686 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)NCCc3nc4ccc(F)cc4n3C)cc2)cc(=O)[n-]1 ZINC000487515846 999205092 /nfs/dbraw/zinc/20/50/92/999205092.db2.gz LGRNQAWBSOEMPD-UHFFFAOYSA-N -1 3 420.448 3.548 20 0 HHADHM CSCCCCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000479034882 999257750 /nfs/dbraw/zinc/25/77/50/999257750.db2.gz LJGDQBUHVUWYEH-UHFFFAOYSA-N -1 3 410.536 3.890 20 0 HHADHM Cc1cc2c(cc1S(=O)(=O)[N-]c1cc(F)c(Br)cc1F)OCO2 ZINC000479234219 999336941 /nfs/dbraw/zinc/33/69/41/999336941.db2.gz BMJBDTOFRUNRGA-UHFFFAOYSA-N -1 3 406.204 3.565 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]c2ccc([C@H](C)N3CCOCC3)cc2)ccc1OC(C)C ZINC000479243915 999343222 /nfs/dbraw/zinc/34/32/22/999343222.db2.gz MDSIPPBNZWEFRD-SFHVURJKSA-N -1 3 418.559 3.976 20 0 HHADHM CC(C)COc1ccc(S(=O)(=O)[N-]c2ccc([C@@H](C)N3CCOCC3)cc2)cc1 ZINC000479249099 999345914 /nfs/dbraw/zinc/34/59/14/999345914.db2.gz RMLJAARRSZKZMU-GOSISDBHSA-N -1 3 418.559 3.915 20 0 HHADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(F)cccc2N2CCCC2)cc1Cl ZINC000479263585 999353949 /nfs/dbraw/zinc/35/39/49/999353949.db2.gz OTEVZPJXROLTHA-UHFFFAOYSA-N -1 3 411.886 3.839 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N[C@H](C)c3cccc(Cl)c3)c2)n1 ZINC000488066078 999365120 /nfs/dbraw/zinc/36/51/20/999365120.db2.gz DLZFCVYYDULNKZ-CYBMUJFWSA-N -1 3 424.888 3.881 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2ccc([C@H](C)N3CCOCC3)cc2)cc1Cl ZINC000479323171 999384941 /nfs/dbraw/zinc/38/49/41/999384941.db2.gz YKEWRTSRZQXUCQ-AWEZNQCLSA-N -1 3 410.923 3.543 20 0 HHADHM CCCNc1ccc(Cl)cc1NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000488184071 999405990 /nfs/dbraw/zinc/40/59/90/999405990.db2.gz YHNNJVAGIYBGQV-UHFFFAOYSA-N -1 3 422.359 3.794 20 0 HHADHM O=C(COc1cccc(Br)c1)NCc1ccc([O-])c(Br)c1 ZINC000488659673 999562311 /nfs/dbraw/zinc/56/23/11/999562311.db2.gz QTMVIGXXZYCCLX-UHFFFAOYSA-N -1 3 415.081 3.612 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)c1cnn(-c2cccc(Cl)c2)c1 ZINC000488669340 999565505 /nfs/dbraw/zinc/56/55/05/999565505.db2.gz DZMCZLLLRMUWTP-UHFFFAOYSA-N -1 3 406.667 3.924 20 0 HHADHM CC(C)NC(=O)Nc1cccc(C(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000488673822 999567312 /nfs/dbraw/zinc/56/73/12/999567312.db2.gz GWBRVUQSOVDPMH-UHFFFAOYSA-N -1 3 406.280 3.615 20 0 HHADHM COc1cc2cc(C(=O)NCc3ccc([O-])c(Br)c3)[nH]c2cc1OC ZINC000488679938 999569704 /nfs/dbraw/zinc/56/97/04/999569704.db2.gz YGEKEBTYMHSSJY-UHFFFAOYSA-N -1 3 405.248 3.583 20 0 HHADHM C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000488681546 999570010 /nfs/dbraw/zinc/57/00/10/999570010.db2.gz UWFINIVTUVHYCQ-IAQYHMDHSA-N -1 3 403.276 3.679 20 0 HHADHM Cc1nn(CC(C)C)c(C)c1CCC(=O)NCc1ccc([O-])c(Br)c1 ZINC000488687734 999572775 /nfs/dbraw/zinc/57/27/75/999572775.db2.gz QZPUNTMXZBYLLK-UHFFFAOYSA-N -1 3 408.340 3.873 20 0 HHADHM Cc1nc(C)c(CC(=O)N2CCC(C(=O)c3ccc(CC(C)C)cc3)CC2)c(=O)[n-]1 ZINC000479839986 999619981 /nfs/dbraw/zinc/61/99/81/999619981.db2.gz RXACXJSYRQDBAQ-UHFFFAOYSA-N -1 3 409.530 3.662 20 0 HHADHM O=S(=O)([N-]C[C@@H](c1ccco1)N1CCCC1)c1ccc(F)cc1C(F)(F)F ZINC000488889819 999637780 /nfs/dbraw/zinc/63/77/80/999637780.db2.gz ZJBYZVMRLDHRFK-AWEZNQCLSA-N -1 3 406.401 3.553 20 0 HHADHM COc1ccc([C@@H](C[N-]S(=O)(=O)c2cc(F)ccc2Cl)N2CCCC2)cc1 ZINC000488938004 999652146 /nfs/dbraw/zinc/65/21/46/999652146.db2.gz FREFOMJIQOVKTR-GOSISDBHSA-N -1 3 412.914 3.603 20 0 HHADHM O=S(=O)([N-]Cc1ccccc1N1CCCCC1)c1ccc(Br)s1 ZINC000479987377 999675450 /nfs/dbraw/zinc/67/54/50/999675450.db2.gz CQIUEPFYBPKIIW-UHFFFAOYSA-N -1 3 415.378 3.979 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNc3nccc(C(F)F)n3)c2)cc1 ZINC000480006916 999683458 /nfs/dbraw/zinc/68/34/58/999683458.db2.gz AZYIWXMDIFBZAU-UHFFFAOYSA-N -1 3 420.441 3.836 20 0 HHADHM O=S(=O)([N-]C[C@@H]1CCN(c2ccccc2)C1)c1cccc(OC(F)(F)F)c1F ZINC000489105631 999700782 /nfs/dbraw/zinc/70/07/82/999700782.db2.gz UKMNWLFFZMNTTD-ZDUSSCGKSA-N -1 3 418.412 3.529 20 0 HHADHM CCC(CC)[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(F)ccc2Br)CCO1 ZINC000480052305 999702620 /nfs/dbraw/zinc/70/26/20/999702620.db2.gz WWEDTSJFHLZUCY-HIFRSBDPSA-N -1 3 408.333 3.850 20 0 HHADHM O=S(=O)([N-]Cc1ccnc(OC2CCC2)c1)c1cccc(OC(F)(F)F)c1F ZINC000489683794 999817081 /nfs/dbraw/zinc/81/70/81/999817081.db2.gz YCZPDTPLJFWQDE-UHFFFAOYSA-N -1 3 420.384 3.529 20 0 HHADHM C[C@@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000489698583 999819818 /nfs/dbraw/zinc/81/98/18/999819818.db2.gz UFMUWTRDSMPBED-VIFPVBQESA-N -1 3 411.398 3.726 20 0 HHADHM Cc1nc(C)c(CCC(=O)Nc2cc(-c3cccc(C(F)(F)F)c3)nn2C)c(=O)[n-]1 ZINC000490024080 999879886 /nfs/dbraw/zinc/87/98/86/999879886.db2.gz CPQXBTMDBIITDH-UHFFFAOYSA-N -1 3 419.407 3.790 20 0 HHADHM C[C@@H]1C[C@H]1c1cc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)n[nH]1 ZINC000490245455 999920515 /nfs/dbraw/zinc/92/05/15/999920515.db2.gz LLPBIMREBOGCEZ-IUODEOHRSA-N -1 3 414.462 3.725 20 0 HHADHM Cc1nc(S(=O)(=O)[C@@H](C)C(=O)Nc2cc(Cl)ccc2F)[n-]c1-c1ccccc1 ZINC000490434103 999957146 /nfs/dbraw/zinc/95/71/46/999957146.db2.gz FKMSWTCTIMMFAY-LBPRGKRZSA-N -1 3 421.881 3.979 20 0 HHADHM Cc1nc(S(=O)(=O)Cc2nc(-c3ccc(F)c(F)c3)no2)[n-]c1-c1ccccc1 ZINC000490449803 999959457 /nfs/dbraw/zinc/95/94/57/999959457.db2.gz NCCFPOLFXGGQBU-UHFFFAOYSA-N -1 3 416.409 3.687 20 0 HHADHM Cc1[n-]c(S(=O)(=O)Cc2nc(-c3ccc(F)c(F)c3)no2)nc1-c1ccccc1 ZINC000490449803 999959459 /nfs/dbraw/zinc/95/94/59/999959459.db2.gz NCCFPOLFXGGQBU-UHFFFAOYSA-N -1 3 416.409 3.687 20 0 HHADHM O=S(=O)([N-][C@H]1CCN(c2ccccc2F)C1)c1ccc(F)cc1C(F)(F)F ZINC000490462240 999961302 /nfs/dbraw/zinc/96/13/02/999961302.db2.gz ZJYWTPHJQSJUSY-LBPRGKRZSA-N -1 3 406.376 3.541 20 0 HHADHM Cc1nc(S(=O)(=O)CC(=O)N[C@H](C)c2ccc(Cl)cc2)[n-]c1-c1ccccc1 ZINC000490464376 999961856 /nfs/dbraw/zinc/96/18/56/999961856.db2.gz OFHPODRJEVJKSC-CYBMUJFWSA-N -1 3 417.918 3.690 20 0 HHADHM Cc1[n-]c(S(=O)(=O)CC(=O)N[C@H](C)c2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000490464376 999961857 /nfs/dbraw/zinc/96/18/57/999961857.db2.gz OFHPODRJEVJKSC-CYBMUJFWSA-N -1 3 417.918 3.690 20 0 HHADHM Cc1[n-]c(S(=O)(=O)CCC(=O)Nc2cccc(Cl)c2)nc1-c1ccccc1 ZINC000490465552 999962026 /nfs/dbraw/zinc/96/20/26/999962026.db2.gz VAGNASPRWLNSTA-UHFFFAOYSA-N -1 3 403.891 3.841 20 0 HHADHM Cc1nc(S(=O)(=O)CCC(=O)Nc2cccc(Cl)c2)[n-]c1-c1ccccc1 ZINC000490465552 999962028 /nfs/dbraw/zinc/96/20/28/999962028.db2.gz VAGNASPRWLNSTA-UHFFFAOYSA-N -1 3 403.891 3.841 20 0 HHADHM Cc1nc(S(=O)(=O)CC(=O)Nc2sc(C)c(C)c2C)[n-]c1-c1ccccc1 ZINC000490465729 999962082 /nfs/dbraw/zinc/96/20/82/999962082.db2.gz VXEMYAGJVXYAJT-UHFFFAOYSA-N -1 3 403.529 3.784 20 0 HHADHM Cc1[n-]c(S(=O)(=O)CC(=O)Nc2sc(C)c(C)c2C)nc1-c1ccccc1 ZINC000490465729 999962084 /nfs/dbraw/zinc/96/20/84/999962084.db2.gz VXEMYAGJVXYAJT-UHFFFAOYSA-N -1 3 403.529 3.784 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](C)[C@H]2OCCc3sccc32)s1 ZINC000490511534 999969755 /nfs/dbraw/zinc/96/97/55/999969755.db2.gz FWYYXXKLJYROSS-TVQRCGJNSA-N -1 3 422.391 3.861 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](C)[C@@H]2OCCc3sccc32)s1 ZINC000490511535 999969767 /nfs/dbraw/zinc/96/97/67/999969767.db2.gz FWYYXXKLJYROSS-ZANVPECISA-N -1 3 422.391 3.861 20 0 HHADHM C[C@H]([N-]S(=O)(=O)c1cccc(Br)c1F)[C@H]1OCCc2sccc21 ZINC000490518267 999970961 /nfs/dbraw/zinc/97/09/61/999970961.db2.gz ZOKQPPGZFBNNED-BJOHPYRUSA-N -1 3 420.325 3.631 20 0 HHADHM O=C(Nc1n[n-]c(SCCO)n1)[C@H](Sc1cc(F)ccc1F)c1ccccc1 ZINC000490565044 999977859 /nfs/dbraw/zinc/97/78/59/999977859.db2.gz JPDFLWRZAVRKEF-OAHLLOKOSA-N -1 3 422.482 3.639 20 0 HHADHM O=C(Cc1ccc(Br)cc1O)Nc1cc(Br)ccc1[O-] ZINC000490668575 999991494 /nfs/dbraw/zinc/99/14/94/999991494.db2.gz GVTKSCPXLMVNSU-UHFFFAOYSA-N -1 3 401.054 3.804 20 0 HHADHM CCOc1cc(C(=O)Nc2cccc(NC(=O)CN(CC)CC)c2)cc(Cl)c1[O-] ZINC000490755537 1000001228 /nfs/dbraw/zinc/00/12/28/1000001228.db2.gz YQAILULMPHYJNR-UHFFFAOYSA-N -1 3 419.909 3.977 20 0 HHADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1)c1nccs1 ZINC000491588999 1000086616 /nfs/dbraw/zinc/08/66/16/1000086616.db2.gz NEUPDDZTURGTJD-GXTWGEPZSA-N -1 3 416.952 3.641 20 0 HHADHM CCN1CCN(c2ccc([N-]S(=O)(=O)c3cc(OC)ccc3Cl)c(C)c2)CC1 ZINC000492155824 1000112302 /nfs/dbraw/zinc/11/23/02/1000112302.db2.gz HKJLHAFXYLMMCZ-UHFFFAOYSA-N -1 3 423.966 3.600 20 0 HHADHM CO[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Br)c1ccccc1 ZINC000493768356 1000191606 /nfs/dbraw/zinc/19/16/06/1000191606.db2.gz ONQSZKHOHSMQOG-ZDUSSCGKSA-N -1 3 404.713 3.769 20 0 HHADHM C[C@@H](Cc1cccc(O)c1)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493890551 1000202973 /nfs/dbraw/zinc/20/29/73/1000202973.db2.gz FJRKFRCKCREFOG-JTQLQIEISA-N -1 3 404.713 3.718 20 0 HHADHM COCC[C@@H](Cc1ccco1)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493896266 1000204091 /nfs/dbraw/zinc/20/40/91/1000204091.db2.gz FDGQWIKAGIQHGD-NSHDSACASA-N -1 3 422.728 3.622 20 0 HHADHM O=S(=O)([N-]C[C@H](CCO)c1ccccc1)c1cccc(Cl)c1Br ZINC000493900344 1000205033 /nfs/dbraw/zinc/20/50/33/1000205033.db2.gz LJVFCPUZLUBVTM-ZDUSSCGKSA-N -1 3 418.740 3.547 20 0 HHADHM O=S(=O)([N-]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)c1cccc(Cl)c1Br ZINC000493906965 1000208284 /nfs/dbraw/zinc/20/82/84/1000208284.db2.gz MTCFQPKXRHJQNS-ZENOOKHLSA-N -1 3 412.736 3.967 20 0 HHADHM O=S(=O)([N-]CCc1ccc2c(c1)CCO2)c1cccc(Cl)c1Br ZINC000493963294 1000240579 /nfs/dbraw/zinc/24/05/79/1000240579.db2.gz YDAYIZIVOMIMFO-UHFFFAOYSA-N -1 3 416.724 3.558 20 0 HHADHM O=S(=O)([N-][C@@H]1CCCOc2ccccc21)c1cc(Br)ccc1F ZINC000504508431 1000241219 /nfs/dbraw/zinc/24/12/19/1000241219.db2.gz CTFUIEXFOROJDG-CQSZACIVSA-N -1 3 400.269 3.780 20 0 HHADHM 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ZINC000505082864 1000542101 /nfs/dbraw/zinc/54/21/01/1000542101.db2.gz YDEVAENIQGDGPT-UHFFFAOYSA-N -1 3 424.476 3.578 20 0 HHADHM O=S(=O)([N-]c1ccc(CCn2nnc(-c3ccccc3)n2)cc1)c1ccc(F)cc1 ZINC000505113120 1000556354 /nfs/dbraw/zinc/55/63/54/1000556354.db2.gz IPPDYHNQQMHKIB-UHFFFAOYSA-N -1 3 423.473 3.523 20 0 HHADHM CSCC[C@H](NCc1nc2c3ccccc3oc2c(=O)[n-]1)c1nnc2ccccn21 ZINC000494796916 1000662300 /nfs/dbraw/zinc/66/23/00/1000662300.db2.gz VDSPNVZNSQXDEZ-AWEZNQCLSA-N -1 3 420.498 3.708 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCN3C(=O)c2cccnc2)cc1C ZINC000505310171 1000691732 /nfs/dbraw/zinc/69/17/32/1000691732.db2.gz DIVRMLBRWVSONL-UHFFFAOYSA-N -1 3 407.495 3.702 20 0 HHADHM Cc1nc(C)c(CCC(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)c(=O)[n-]1 ZINC000505310966 1000692438 /nfs/dbraw/zinc/69/24/38/1000692438.db2.gz IUEXDVZUDIKQGT-UHFFFAOYSA-N -1 3 403.788 3.965 20 0 HHADHM CCCN(C(=O)c1cc(=O)c2ccccc2[n-]1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000505330822 1000706747 /nfs/dbraw/zinc/70/67/47/1000706747.db2.gz 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HJTMCJVHIGTHET-MRVPVSSYSA-N -1 3 407.717 3.789 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)c3cc(F)c4ccccc4c3)c2)[n-]1 ZINC000509225136 1003637429 /nfs/dbraw/zinc/63/74/29/1003637429.db2.gz GUMILUZFOBYWMB-UHFFFAOYSA-N -1 3 418.428 3.871 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)c3cc(F)c4ccccc4c3)c2)n[n-]1 ZINC000509225136 1003637435 /nfs/dbraw/zinc/63/74/35/1003637435.db2.gz GUMILUZFOBYWMB-UHFFFAOYSA-N -1 3 418.428 3.871 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cncn3-c3ccc(F)cc3)c2)n1 ZINC000500347684 1003646250 /nfs/dbraw/zinc/64/62/50/1003646250.db2.gz UOJHBQCSBDPCLN-UHFFFAOYSA-N -1 3 403.417 3.989 20 0 HHADHM O=S(=O)([N-][C@H]1CCCC12CCOCC2)c1c(Cl)cccc1Br ZINC000509257737 1003658717 /nfs/dbraw/zinc/65/87/17/1003658717.db2.gz ZBQOMMPFKDVLFM-ZDUSSCGKSA-N -1 3 408.745 3.730 20 0 HHADHM O=S(=O)([N-][C@@H]1CCCC12CCOCC2)c1c(Cl)cccc1Br ZINC000509257736 1003658928 /nfs/dbraw/zinc/65/89/28/1003658928.db2.gz ZBQOMMPFKDVLFM-CYBMUJFWSA-N -1 3 408.745 3.730 20 0 HHADHM 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420.230 3.894 20 0 HHADHM O=C(CNC(=O)c1ccc([O-])cc1)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000551076083 1010350698 /nfs/dbraw/zinc/35/06/98/1010350698.db2.gz FUEQPIWZLBTHMR-UHFFFAOYSA-N -1 3 417.181 3.542 20 0 HHADHM O=C(Nc1nc(-c2ccc3c(c2)CCCC3)cs1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000521438406 1010375119 /nfs/dbraw/zinc/37/51/19/1010375119.db2.gz JEZFRSJNJQENDI-UHFFFAOYSA-N -1 3 403.463 3.825 20 0 HHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cccc(-n2nccc2-c2ccccc2)c1 ZINC000521465282 1010386638 /nfs/dbraw/zinc/38/66/38/1010386638.db2.gz VKXVJPLNSCPTJD-UHFFFAOYSA-N -1 3 407.437 3.972 20 0 HHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cccc(-n2nccc2-c2ccccc2)c1 ZINC000521465282 1010386650 /nfs/dbraw/zinc/38/66/50/1010386650.db2.gz VKXVJPLNSCPTJD-UHFFFAOYSA-N -1 3 407.437 3.972 20 0 HHADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1cccc(Br)c1Cl)c1ccsc1 ZINC000551172295 1010416643 /nfs/dbraw/zinc/41/66/43/1010416643.db2.gz DKDHGXLPWMNZAK-LBPRGKRZSA-N -1 3 423.785 3.745 20 0 HHADHM CCOc1ccc(S(=O)(=O)[N-][C@](C)(CC)C(F)(F)F)cc1Br 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1011162239 /nfs/dbraw/zinc/16/22/39/1011162239.db2.gz FQNHSHNZOGZNOP-UHFFFAOYSA-N -1 3 424.478 3.706 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC[C@H]2CCCO[C@H]2C(C)(C)C)c1 ZINC000536107494 1011225574 /nfs/dbraw/zinc/22/55/74/1011225574.db2.gz PMJZUBYUSWQDOE-AUUYWEPGSA-N -1 3 415.490 3.512 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC[C@@H]2CCCO[C@@H]2C(C)(C)C)c1 ZINC000536107512 1011225924 /nfs/dbraw/zinc/22/59/24/1011225924.db2.gz PMJZUBYUSWQDOE-LIRRHRJNSA-N -1 3 415.490 3.512 20 0 HHADHM CC(=O)Nc1ccc(NC(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)cc1 ZINC000522871925 1011314649 /nfs/dbraw/zinc/31/46/49/1011314649.db2.gz XANVFSHHNNGRTL-UHFFFAOYSA-N -1 3 405.332 3.637 20 0 HHADHM Cc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)nn1-c1ccc(Cl)cc1Cl ZINC000540704838 1011356337 /nfs/dbraw/zinc/35/63/37/1011356337.db2.gz BOCSTUIZLDEABK-UHFFFAOYSA-N -1 3 414.256 3.920 20 0 HHADHM Cc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)nn1-c1ccc(Cl)cc1Cl ZINC000540704838 1011356345 /nfs/dbraw/zinc/35/63/45/1011356345.db2.gz 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ZINC000536612761 1011771482 /nfs/dbraw/zinc/77/14/82/1011771482.db2.gz PJIXGAQBMZFFFV-GJZGRUSLSA-N -1 3 420.506 3.621 20 0 HHADHM O=S(=O)([N-][C@@H](c1ccccc1)[C@H]1CCCO1)c1cc(Br)ccc1F ZINC000523295819 1011776398 /nfs/dbraw/zinc/77/63/98/1011776398.db2.gz HWIKDGMZLJQHNP-WBVHZDCISA-N -1 3 414.296 3.787 20 0 HHADHM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)C1 ZINC000523415036 1011896092 /nfs/dbraw/zinc/89/60/92/1011896092.db2.gz DZAHTBGQIKQVPU-YLJYHZDGSA-N -1 3 416.525 3.786 20 0 HHADHM CCCCN1C(=O)C[C@H](C(=O)NCc2ccc([O-])c(F)c2)[C@@H]1c1ccc(OC)cc1 ZINC000523424662 1011910784 /nfs/dbraw/zinc/91/07/84/1011910784.db2.gz IQEGTPBXBKCHHY-AVRDEDQJSA-N -1 3 414.477 3.546 20 0 HHADHM COCCc1ccc(S(=O)(=O)[N-]c2cc(CN3CCSCC3)ccc2C)cc1 ZINC000523458638 1011961790 /nfs/dbraw/zinc/96/17/90/1011961790.db2.gz QETNMLZGLHJUOL-UHFFFAOYSA-N -1 3 420.600 3.534 20 0 HHADHM Cc1ccc(NC(=O)C2CC2)cc1[N-]S(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000541303497 1012007172 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405.476 3.898 20 0 HHADHM Cc1ncc(CNC(=O)[C@@H](Sc2ccc(F)cc2F)c2ccccc2)c(=O)[n-]1 ZINC000541456304 1012216047 /nfs/dbraw/zinc/21/60/47/1012216047.db2.gz PFRCLAGCWRYRRF-SFHVURJKSA-N -1 3 401.438 3.919 20 0 HHADHM O=c1nc(CN2CCC[C@H](c3nncn3C3CC3)C2)[n-]c2scc(-c3ccco3)c21 ZINC000537037118 1012354503 /nfs/dbraw/zinc/35/45/03/1012354503.db2.gz OYOQCUDQEIYVFQ-ZDUSSCGKSA-N -1 3 422.514 3.963 20 0 HHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000552530952 1012548928 /nfs/dbraw/zinc/54/89/28/1012548928.db2.gz BIKYCUMBIIOILF-UHFFFAOYSA-N -1 3 414.256 3.535 20 0 HHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000552530952 1012548943 /nfs/dbraw/zinc/54/89/43/1012548943.db2.gz BIKYCUMBIIOILF-UHFFFAOYSA-N -1 3 414.256 3.535 20 0 HHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]Cc2ccc([C@@H]3C[C@H]3C)o2)cc1Cl ZINC000552531508 1012549995 /nfs/dbraw/zinc/54/99/95/1012549995.db2.gz GSIMMFOITIEWCK-BXKDBHETSA-N -1 3 400.859 3.632 20 0 HHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C2(c3nccs3)CCCC2)cc1Cl ZINC000523864747 1012560342 /nfs/dbraw/zinc/56/03/42/1012560342.db2.gz ZHDAOJDGEJPXGM-UHFFFAOYSA-N -1 3 417.915 3.642 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccc(-c3ccco3)nc2C)cc1OC ZINC000523874075 1012570455 /nfs/dbraw/zinc/57/04/55/1012570455.db2.gz GSRPEDLABOEXCZ-UHFFFAOYSA-N -1 3 415.471 3.673 20 0 HHADHM Cc1cnc([C@H](C)CNC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)s1 ZINC000541772401 1012639540 /nfs/dbraw/zinc/63/95/40/1012639540.db2.gz ZHYNXAJKFDMSIP-SECBINFHSA-N -1 3 406.305 3.589 20 0 HHADHM CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000537267506 1012720333 /nfs/dbraw/zinc/72/03/33/1012720333.db2.gz NFTGGRROJLBGPK-DIFFPNOSSA-N -1 3 411.271 3.869 20 0 HHADHM CC(C)n1cc([C@H](C)NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cn1 ZINC000541880254 1012750727 /nfs/dbraw/zinc/75/07/27/1012750727.db2.gz HSYNSNIHYIVJDM-JTSKRJEESA-N -1 3 420.513 3.908 20 0 HHADHM CCCOc1ccc(-c2nc(C(=O)Nc3cc(C(=O)OCC)n[n-]3)cs2)cc1 ZINC000541904497 1012763584 /nfs/dbraw/zinc/76/35/84/1012763584.db2.gz YTGPZGBXXHXBBU-UHFFFAOYSA-N -1 3 400.460 3.751 20 0 HHADHM CCCOc1ccc(-c2nc(C(=O)Nc3cc(C(=O)OCC)[n-]n3)cs2)cc1 ZINC000541904497 1012763598 /nfs/dbraw/zinc/76/35/98/1012763598.db2.gz YTGPZGBXXHXBBU-UHFFFAOYSA-N -1 3 400.460 3.751 20 0 HHADHM CCOC(=O)c1cc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)[n-]n1 ZINC000541904726 1012763724 /nfs/dbraw/zinc/76/37/24/1012763724.db2.gz ZKFIEWRPYRUFAB-UHFFFAOYSA-N -1 3 421.482 3.812 20 0 HHADHM CCOC(=O)c1cc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)n[n-]1 ZINC000541904726 1012763735 /nfs/dbraw/zinc/76/37/35/1012763735.db2.gz ZKFIEWRPYRUFAB-UHFFFAOYSA-N -1 3 421.482 3.812 20 0 HHADHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)c1ccc(Cl)cc1F ZINC000541915641 1012774303 /nfs/dbraw/zinc/77/43/03/1012774303.db2.gz USRKHCPDGHOAGV-QGZVFWFLSA-N -1 3 419.927 3.558 20 0 HHADHM COCc1nnc(-c2cccc(C(=O)Nc3cc(Br)ccc3[O-])c2)o1 ZINC000537393117 1012875459 /nfs/dbraw/zinc/87/54/59/1012875459.db2.gz AKPHNTOYBPWDEX-UHFFFAOYSA-N -1 3 404.220 3.603 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCN(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)o1 ZINC000537436086 1012925790 /nfs/dbraw/zinc/92/57/90/1012925790.db2.gz ZEZWXPHHRIIXGM-AEFFLSMTSA-N -1 3 400.903 3.883 20 0 HHADHM C[C@H]([N-]S(=O)(=O)c1ccccc1-c1ccno1)c1nc(C2CCCCC2)no1 ZINC000542049442 1012958425 /nfs/dbraw/zinc/95/84/25/1012958425.db2.gz HEBOCDGAXZSDHQ-ZDUSSCGKSA-N -1 3 402.476 3.812 20 0 HHADHM CC[C@@H](Cc1cccc(Br)c1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000524210728 1013017122 /nfs/dbraw/zinc/01/71/22/1013017122.db2.gz SPXVIHRKLVYWGZ-HNNXBMFYSA-N -1 3 414.307 3.514 20 0 HHADHM CC[C@@H](Cc1cccc(Br)c1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000524210728 1013017144 /nfs/dbraw/zinc/01/71/44/1013017144.db2.gz SPXVIHRKLVYWGZ-HNNXBMFYSA-N -1 3 414.307 3.514 20 0 HHADHM O=c1[n-]c(SCc2nnc(C3CC3)n2C2CC2)nc2c1cnn2-c1ccccc1 ZINC000542102194 1013034381 /nfs/dbraw/zinc/03/43/81/1013034381.db2.gz QXZINHFFPOYWQE-UHFFFAOYSA-N -1 3 405.487 3.617 20 0 HHADHM CN(C(=O)Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)cc1)c1ccccc1 ZINC000614863064 1071796229 /nfs/dbraw/zinc/79/62/29/1071796229.db2.gz IVXCFPDTVGEHAU-UHFFFAOYSA-N -1 3 422.506 3.628 20 0 HHADHM O=S(=O)([N-]Cc1nc(C2CCCCCC2)no1)c1ccc(Br)s1 ZINC000904680423 1071840551 /nfs/dbraw/zinc/84/05/51/1071840551.db2.gz LTVAJNGKLDGXPQ-UHFFFAOYSA-N -1 3 420.354 3.810 20 0 HHADHM O=C(OCc1cc(F)ccc1Br)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000729703570 1071891833 /nfs/dbraw/zinc/89/18/33/1071891833.db2.gz JKEVIWNHUYNPQC-INIZCTEOSA-N -1 3 422.250 3.642 20 0 HHADHM CSCC[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1)c1nc(-c2cc(C)ccn2)no1 ZINC000904943882 1071942147 /nfs/dbraw/zinc/94/21/47/1071942147.db2.gz DRIOJUZLORYCAW-MRXNPFEDSA-N -1 3 418.544 3.521 20 0 HHADHM CC(C)Cc1ccc([C@H](C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)N(C)C)cc1 ZINC001212066927 1071950591 /nfs/dbraw/zinc/95/05/91/1071950591.db2.gz KFTRRZLFVWWTNR-IBGZPJMESA-N -1 3 414.493 3.884 20 0 HHADHM CC(C)Oc1cccc(-c2noc([C@@H](N)CCc3cc(=O)oc4cc([O-])ccc34)n2)c1 ZINC001212097611 1072074565 /nfs/dbraw/zinc/07/45/65/1072074565.db2.gz AELZBKIHIMDLSR-IBGZPJMESA-N -1 3 421.453 3.968 20 0 HHADHM CCc1cc(-c2noc([C@@H](N)CCc3cc(=O)oc4cc([O-])ccc34)n2)ccc1F ZINC001212097628 1072074840 /nfs/dbraw/zinc/07/48/40/1072074840.db2.gz AZYOFJOVFFYPCW-SFHVURJKSA-N -1 3 409.417 3.883 20 0 HHADHM N[C@@H](CCc1cc(=O)oc2cc([O-])ccc12)c1nc(-c2ccc3ncccc3c2)no1 ZINC001212097988 1072076215 /nfs/dbraw/zinc/07/62/15/1072076215.db2.gz SQIDRJAEOVFLNA-SFHVURJKSA-N -1 3 414.421 3.729 20 0 HHADHM C[C@@H]1CCC[C@H](NC(=O)c2c[n-]c3ccc(I)cc3c2=O)[C@@H]1C ZINC000536748326 1072196800 /nfs/dbraw/zinc/19/68/00/1072196800.db2.gz XTDFDVALFFEYPG-HFAKWTLXSA-N -1 3 424.282 3.687 20 0 HHADHM CCOC(=O)c1c(-c2ccccc2)csc1[N-]C(=O)c1nc2nccc(C)n2n1 ZINC000912630072 1072256768 /nfs/dbraw/zinc/25/67/68/1072256768.db2.gz GJVKFTHCIVBIKJ-UHFFFAOYSA-N -1 3 407.455 3.590 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H](C)c2ccc[nH]2)c(Br)c1 ZINC000760404303 1072330121 /nfs/dbraw/zinc/33/01/21/1072330121.db2.gz MNJYSDJFFVBHRN-SECBINFHSA-N -1 3 422.142 3.888 20 0 HHADHM C[C@@H](OC(=O)c1cc(-c2ccco2)[n-]n1)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000913298385 1072360018 /nfs/dbraw/zinc/36/00/18/1072360018.db2.gz IZPCXMHMUOFGIU-OAHLLOKOSA-N -1 3 408.458 3.844 20 0 HHADHM C[C@@H](OC(=O)c1cc(-c2ccco2)n[n-]1)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000913298385 1072360024 /nfs/dbraw/zinc/36/00/24/1072360024.db2.gz IZPCXMHMUOFGIU-OAHLLOKOSA-N -1 3 408.458 3.844 20 0 HHADHM Cc1ccc(-c2csc(NC(=O)COC(=O)c3cc(-c4ccco4)[n-]n3)n2)cc1 ZINC000913299269 1072360658 /nfs/dbraw/zinc/36/06/58/1072360658.db2.gz XXDIDHIXEWYRJX-UHFFFAOYSA-N -1 3 408.439 3.897 20 0 HHADHM Cc1ccc(-c2csc(NC(=O)COC(=O)c3cc(-c4ccco4)n[n-]3)n2)cc1 ZINC000913299269 1072360668 /nfs/dbraw/zinc/36/06/68/1072360668.db2.gz XXDIDHIXEWYRJX-UHFFFAOYSA-N -1 3 408.439 3.897 20 0 HHADHM O=C(NCCCCCc1ccccc1)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000729845160 1072514482 /nfs/dbraw/zinc/51/44/82/1072514482.db2.gz UQDDTILOTLEQOF-UHFFFAOYSA-N -1 3 422.497 3.548 20 0 HHADHM COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1cc(Cl)ccc1Br ZINC000613112669 1072542611 /nfs/dbraw/zinc/54/26/11/1072542611.db2.gz TVLFAHRNVDFQPS-UHFFFAOYSA-N -1 3 418.696 3.998 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)Nc3ccc(O[C@@H]4CCOC4)cc3)cc2)cc(=O)[n-]1 ZINC000571366452 1072620483 /nfs/dbraw/zinc/62/04/83/1072620483.db2.gz CVZQEPUPHRYMFD-LJQANCHMSA-N -1 3 406.442 3.969 20 0 HHADHM Cc1ccccc1[C@@H](NC(=O)C[C@@H](C)[N-]S(=O)(=O)c1cccnc1Cl)C(C)C ZINC000760577888 1072651338 /nfs/dbraw/zinc/65/13/38/1072651338.db2.gz OIWAXHOTNXFTST-BEFAXECRSA-N -1 3 423.966 3.614 20 0 HHADHM O=S(=O)([N-][C@@H](CCO)c1ccc(Cl)cc1)c1cc(F)ccc1Br ZINC000571691696 1072698878 /nfs/dbraw/zinc/69/88/78/1072698878.db2.gz ILSVYMSADJPKLI-AWEZNQCLSA-N -1 3 422.703 3.644 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N[C@H](CC)C3CCCCC3)c2)n1 ZINC000587947142 1072722451 /nfs/dbraw/zinc/72/24/51/1072722451.db2.gz BDXOTLKUISAMPT-LJQANCHMSA-N -1 3 410.518 3.825 20 0 HHADHM CC(=O)Nc1cc(S(=O)(=O)[N-][C@](C)(c2ccccc2)C(F)(F)F)ccc1F ZINC000479128749 1072739195 /nfs/dbraw/zinc/73/91/95/1072739195.db2.gz KMTJIQZHPKNYPR-MRXNPFEDSA-N -1 3 404.385 3.540 20 0 HHADHM COc1ccc([C@@H](NC(=O)CCNC(=O)c2ccc(C)cc2[O-])c2ccccc2)cc1 ZINC000588009497 1072743268 /nfs/dbraw/zinc/74/32/68/1072743268.db2.gz JQGDUFLUXJCVRV-DEOSSOPVSA-N -1 3 418.493 3.735 20 0 HHADHM CCOc1ccc(S(=O)(=O)[N-][C@](C)(C2CC2)C(F)(F)F)cc1Br ZINC000479139258 1072750358 /nfs/dbraw/zinc/75/03/58/1072750358.db2.gz SHJZCOBPZQWHHU-CYBMUJFWSA-N -1 3 416.259 3.857 20 0 HHADHM CC(=O)Nc1ccc(S(=O)(=O)[N-][C@@](C)(C2CC2)C(F)(F)F)c2ccccc12 ZINC000479148107 1072769736 /nfs/dbraw/zinc/76/97/36/1072769736.db2.gz OUBIFSOUQDBMMM-KRWDZBQOSA-N -1 3 400.422 3.808 20 0 HHADHM COCCOc1ccccc1S(=O)(=O)[N-][C@](C)(c1ccc(F)cc1)C(F)(F)F ZINC000479151990 1072774642 /nfs/dbraw/zinc/77/46/42/1072774642.db2.gz FVSQVCFSSFIAOY-QGZVFWFLSA-N -1 3 421.412 3.607 20 0 HHADHM COC(=O)Nc1ccc(CC[N-]S(=O)(=O)c2oc3ccc(F)cc3c2C)cc1 ZINC000760583639 1072853656 /nfs/dbraw/zinc/85/36/56/1072853656.db2.gz ZFYBYANGVGMLQG-UHFFFAOYSA-N -1 3 406.435 3.580 20 0 HHADHM COc1ccc(OC)c(CN(C(=O)CCc2c(C)nc(C)[n-]c2=O)C(C)(C)C)c1 ZINC000554942586 1072989795 /nfs/dbraw/zinc/98/97/95/1072989795.db2.gz IYMKXBAEWGPRAI-UHFFFAOYSA-N -1 3 401.507 3.576 20 0 HHADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(OCC(F)F)c2)cc1C ZINC000588631405 1073070661 /nfs/dbraw/zinc/07/06/61/1073070661.db2.gz COOXPQWCYIJTGM-UHFFFAOYSA-N -1 3 415.458 3.773 20 0 HHADHM COc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)cc1OC(C)C ZINC000760713126 1073318727 /nfs/dbraw/zinc/31/87/27/1073318727.db2.gz PFLULIIRWMKETM-UHFFFAOYSA-N -1 3 424.494 3.561 20 0 HHADHM CO[C@H](C)c1cccc(NC(=O)CS(=O)(=O)[N-]c2ccc(OC(C)C)cc2)c1 ZINC000588883753 1073328502 /nfs/dbraw/zinc/32/85/02/1073328502.db2.gz DAXFCANWAGYQQH-OAHLLOKOSA-N -1 3 406.504 3.562 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2c[nH]c3cc(Cl)ccc23)cc1OC ZINC000588926253 1073345022 /nfs/dbraw/zinc/34/50/22/1073345022.db2.gz JFEQYAMUMLZVGH-UHFFFAOYSA-N -1 3 407.879 3.844 20 0 HHADHM Cc1ccn2ncc(C(=O)[N-]c3nnc(SCc4ccc(F)cc4)s3)c2n1 ZINC000590014581 1073452354 /nfs/dbraw/zinc/45/23/54/1073452354.db2.gz GIIQHJFYHFWLLB-UHFFFAOYSA-N -1 3 400.464 3.573 20 0 HHADHM CCC[C@]1(C(F)(F)F)CCCN1Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1 ZINC000555829441 1073875481 /nfs/dbraw/zinc/87/54/81/1073875481.db2.gz QRUQTSANWPNEFI-QGZVFWFLSA-N -1 3 417.453 3.777 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000600526627 1073974063 /nfs/dbraw/zinc/97/40/63/1073974063.db2.gz HEDLVOBMUURJEB-GOSISDBHSA-N -1 3 422.916 3.742 20 0 HHADHM COc1ccc(-c2nsc([N-]C(=O)c3nnn(-c4cccc(C)c4)c3C)n2)cc1 ZINC000590681718 1073975399 /nfs/dbraw/zinc/97/53/99/1073975399.db2.gz SVWARYPVVORVJP-UHFFFAOYSA-N -1 3 406.471 3.664 20 0 HHADHM O=C([N-]c1n[nH]c(-c2ccc(Cl)cc2)n1)c1cn(-c2ccccc2Cl)nn1 ZINC000590838613 1074013159 /nfs/dbraw/zinc/01/31/59/1074013159.db2.gz HDKYEMAJWNPONM-UHFFFAOYSA-N -1 3 400.229 3.612 20 0 HHADHM COCCSc1ccc([C@@H](C)[N-]S(=O)(=O)c2c(F)cc(OC)cc2F)cc1 ZINC000590947796 1074048840 /nfs/dbraw/zinc/04/88/40/1074048840.db2.gz GOAKREMQKHYXBQ-GFCCVEGCSA-N -1 3 417.499 3.751 20 0 HHADHM Cc1nc(C)c(CCC(=O)Nc2cc(-c3ccoc3)nn2-c2ccccc2)c(=O)[n-]1 ZINC000556027167 1074051418 /nfs/dbraw/zinc/05/14/18/1074051418.db2.gz CIYXCICKKVCKMG-UHFFFAOYSA-N -1 3 403.442 3.816 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)CCCCCc2ccc(O)cc2)cc1OC ZINC000591097738 1074110215 /nfs/dbraw/zinc/11/02/15/1074110215.db2.gz CRGTTXZIPYXQNQ-UHFFFAOYSA-N -1 3 420.531 3.904 20 0 HHADHM COCc1c(Cl)cccc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC001126983452 1074174646 /nfs/dbraw/zinc/17/46/46/1074174646.db2.gz VASURHXWPIUPNS-UHFFFAOYSA-N -1 3 414.886 3.565 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@H](c1ccccc1)C1CCC1 ZINC000591217486 1074176534 /nfs/dbraw/zinc/17/65/34/1074176534.db2.gz GUOXSLXGXBQBLH-JOCHJYFZSA-N -1 3 402.498 3.731 20 0 HHADHM CO[C@@](C)(C(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21)c1ccccc1 ZINC001649005910 1074180490 /nfs/dbraw/zinc/18/04/90/1074180490.db2.gz LHBABLLNLHJOBB-QVKFZJNVSA-N -1 3 420.431 3.747 20 0 HHADHM O=C(OCc1cc(-c2ccco2)on1)c1ccc(I)c([O-])c1 ZINC000760813058 1074182166 /nfs/dbraw/zinc/18/21/66/1074182166.db2.gz PJEBBXAKUMUWEN-UHFFFAOYSA-N -1 3 411.151 3.602 20 0 HHADHM C[C@H](OC(=O)c1ccc(I)c([O-])c1)C(=O)c1ccc(F)cc1 ZINC000760814061 1074193304 /nfs/dbraw/zinc/19/33/04/1074193304.db2.gz OWVQQHLZANJSBE-VIFPVBQESA-N -1 3 414.170 3.564 20 0 HHADHM O=C(OCc1ccn(C2CCCC2)n1)c1ccc(I)c([O-])c1 ZINC000760815616 1074206008 /nfs/dbraw/zinc/20/60/08/1074206008.db2.gz DYERIXUSGNJSKF-UHFFFAOYSA-N -1 3 412.227 3.665 20 0 HHADHM C[C@@H](OC(=O)c1ccc(I)c([O-])c1)c1nc(C(C)(C)C)no1 ZINC000760818254 1074220575 /nfs/dbraw/zinc/22/05/75/1074220575.db2.gz OWWDPJHDBPFBJO-MRVPVSSYSA-N -1 3 416.215 3.595 20 0 HHADHM Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)CNC(=O)c1ccc([O-])cc1 ZINC000591464096 1074309910 /nfs/dbraw/zinc/30/99/10/1074309910.db2.gz RNEJDNBVYHQOSS-LBPRGKRZSA-N -1 3 413.474 3.570 20 0 HHADHM CS[C@H]1CC[C@@H](NC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)C1 ZINC000760839363 1074363046 /nfs/dbraw/zinc/36/30/46/1074363046.db2.gz RJIDIDRIAGWNIX-ZJUUUORDSA-N -1 3 415.740 3.958 20 0 HHADHM O=S(=O)(N[C@H]1CCCc2ccc(Cl)cc21)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001670869061 1074713296 /nfs/dbraw/zinc/71/32/96/1074713296.db2.gz GMTRGLLTTZLRLL-INIZCTEOSA-N -1 3 424.313 3.529 20 0 HHADHM O=S(=O)(N[C@H]1CCCc2ccc(Cl)cc21)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001670869061 1074713304 /nfs/dbraw/zinc/71/33/04/1074713304.db2.gz GMTRGLLTTZLRLL-INIZCTEOSA-N -1 3 424.313 3.529 20 0 HHADHM C[C@H]([N-]S(=O)(=O)c1cc2c(cc1Cl)OCCO2)c1nc(C(C)(C)C)cs1 ZINC000592820104 1075122454 /nfs/dbraw/zinc/12/24/54/1075122454.db2.gz HXSKCIYKJBAAKE-JTQLQIEISA-N -1 3 416.952 3.905 20 0 HHADHM CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3cc(Cl)ccc3[O-])s2)CC1 ZINC000592854357 1075127428 /nfs/dbraw/zinc/12/74/28/1075127428.db2.gz LMMKQPMULISWMF-UHFFFAOYSA-N -1 3 414.936 3.780 20 0 HHADHM COC(=O)c1occc1CSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1 ZINC000593058505 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C[C@H](c1cccnc1)N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000303080994 971493172 /nfs/dbraw/zinc/49/31/72/971493172.db2.gz VACMXCUAZNNMMS-OAHLLOKOSA-N -1 3 413.474 3.855 20 0 HHADHM C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000303082474 971493997 /nfs/dbraw/zinc/49/39/97/971493997.db2.gz FDLXAJCBUSYUPR-NSHDSACASA-N -1 3 412.920 3.646 20 0 HHADHM O=C(CNC(=O)c1cc(Cc2ccccc2)ccc1[O-])Nc1ccc(F)c(F)c1F ZINC000303095413 971501100 /nfs/dbraw/zinc/50/11/00/971501100.db2.gz FMTLWJZNZCKFFD-UHFFFAOYSA-N -1 3 414.383 3.769 20 0 HHADHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc2ccccc2c1)c1nc(-c2cccnc2)no1 ZINC000303118989 971512632 /nfs/dbraw/zinc/51/26/32/971512632.db2.gz HZYTVWWTIGFABQ-LJQANCHMSA-N -1 3 408.483 3.960 20 0 HHADHM Cn1c(CC[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)nc2c1cccc2F ZINC000303328956 971634189 /nfs/dbraw/zinc/63/41/89/971634189.db2.gz CEIAIRPTHOHEJI-UHFFFAOYSA-N -1 3 402.278 3.540 20 0 HHADHM CC(C)(c1nnc([N-]C(=O)c2cn(Cc3ccccc3)nn2)s1)c1ccccc1 ZINC000303353873 971653037 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420.572 3.567 20 0 HHADHM CCc1ccc([N-]S(=O)(=O)c2ccc(NS(=O)(=O)C(C)C)c(F)c2)cc1C ZINC000537655078 1013216051 /nfs/dbraw/zinc/21/60/51/1013216051.db2.gz MYHPLAJQVXNBMV-UHFFFAOYSA-N -1 3 414.524 3.647 20 0 HHADHM CCOc1c(Br)cc(Br)cc1C=C1SC(=O)[N-]C1=O ZINC000007154800 961040975 /nfs/dbraw/zinc/04/09/75/961040975.db2.gz GFIKMIQKXMHQGZ-WTKPLQERSA-N -1 3 407.083 3.934 20 0 HHADHM CCc1cc2c(CN(CC)CC(=O)Nc3cccc(OC)c3)cc(=O)oc2cc1[O-] ZINC000007903275 961367288 /nfs/dbraw/zinc/36/72/88/961367288.db2.gz OTRHFHZQPYJTQQ-UHFFFAOYSA-N -1 3 410.470 3.530 20 0 HHADHM CCc1cnc(CNCc2cccc([N-]S(=O)(=O)c3ccc(OC)cc3)c2)s1 ZINC000542303538 1013261178 /nfs/dbraw/zinc/26/11/78/1013261178.db2.gz LHPJBQMSTHTMAK-UHFFFAOYSA-N -1 3 417.556 3.805 20 0 HHADHM C[C@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000553314439 1013267457 /nfs/dbraw/zinc/26/74/57/1013267457.db2.gz KXQDVPSNJDHQTG-AWEZNQCLSA-N -1 3 402.454 3.803 20 0 HHADHM O=S(=O)([N-]c1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccc(F)c(F)c1 ZINC000008690436 961589684 /nfs/dbraw/zinc/58/96/84/961589684.db2.gz LULVBVZEMUOJIP-UHFFFAOYSA-N -1 3 403.332 3.970 20 0 HHADHM O=C(CSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1)Nc1ccccc1 ZINC000009521225 961650251 /nfs/dbraw/zinc/65/02/51/961650251.db2.gz AAWMELUPAIQIRE-UHFFFAOYSA-N -1 3 411.874 3.905 20 0 HHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc(C(=O)OC(C)(C)C)cc3)cc2)n1 ZINC000537737272 1013297896 /nfs/dbraw/zinc/29/78/96/1013297896.db2.gz UEFOLKWYKKWPNP-UHFFFAOYSA-N -1 3 405.454 3.953 20 0 HHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1cc(F)c(OC(C)C)c(F)c1 ZINC000542364506 1013321131 /nfs/dbraw/zinc/32/11/31/1013321131.db2.gz NJDSUNAITAJVCN-UHFFFAOYSA-N -1 3 414.412 3.799 20 0 HHADHM Cc1c([O-])ccc2c(CSc3nnc(-c4cccc(Cl)c4)n3N)cc(=O)oc12 ZINC000012262984 962262275 /nfs/dbraw/zinc/26/22/75/962262275.db2.gz WWYIRJZYTBLVQW-UHFFFAOYSA-N -1 3 414.874 3.725 20 0 HHADHM Cc1ncc(CNC(=O)Nc2ccc(OCC(F)(F)F)c(C(F)(F)F)c2)c(=O)[n-]1 ZINC000542373946 1013328162 /nfs/dbraw/zinc/32/81/62/1013328162.db2.gz PXDNHYBBUNGORZ-UHFFFAOYSA-N -1 3 424.301 3.772 20 0 HHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3cnn(Cc4ccccc4)c3)nc(=O)c2c1C ZINC000012856485 962340599 /nfs/dbraw/zinc/34/05/99/962340599.db2.gz CGKLHDWJDNNZGI-ZDUSSCGKSA-N -1 3 408.483 3.764 20 0 HHADHM C[C@H](OC(=O)c1ccc([N-]S(C)(=O)=O)cc1)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000012991238 962359129 /nfs/dbraw/zinc/35/91/29/962359129.db2.gz PUHAVWJGXDEYHZ-AWEZNQCLSA-N -1 3 418.515 3.540 20 0 HHADHM Cc1ncc(CNC(=O)N[C@H](COc2c(C)cccc2C)c2ccccc2)c(=O)[n-]1 ZINC000542409133 1013362791 /nfs/dbraw/zinc/36/27/91/1013362791.db2.gz OPEYCWLXBBOGRP-HXUWFJFHSA-N -1 3 406.486 3.727 20 0 HHADHM CCOc1ccc(O[C@H](C)C(=O)N[N-]C(=O)c2cc(SC)ccc2Cl)cc1 ZINC000015355227 962733111 /nfs/dbraw/zinc/73/31/11/962733111.db2.gz FLEFFZSNIAOVKY-GFCCVEGCSA-N -1 3 408.907 3.689 20 0 HHADHM COc1ccc(Br)c(C(=O)[N-]NC(=S)Nc2c(C)cccc2C)c1 ZINC000015843328 962884423 /nfs/dbraw/zinc/88/44/23/962884423.db2.gz UQQAOVOAUJDVNK-UHFFFAOYSA-N -1 3 408.321 3.706 20 0 HHADHM O=S(=O)([N-]c1ccccc1I)c1ccc(Cl)cc1F ZINC000016101393 962944861 /nfs/dbraw/zinc/94/48/61/962944861.db2.gz OLTRNDPSRABRCU-UHFFFAOYSA-N -1 3 411.623 3.885 20 0 HHADHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(C(F)F)cc1)c1nc(-c2ccncc2)no1 ZINC000553481042 1013387018 /nfs/dbraw/zinc/38/70/18/1013387018.db2.gz HWPZBKRLRPVQNF-OAHLLOKOSA-N -1 3 408.430 3.745 20 0 HHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCc3ccco3)c2)cc1 ZINC000017305015 963183132 /nfs/dbraw/zinc/18/31/32/963183132.db2.gz YXHVDTSPZZTAEA-UHFFFAOYSA-N -1 3 414.483 3.718 20 0 HHADHM O=C([N-]NC(=O)c1cc(Cl)nc2ccccc21)c1ccccc1Br ZINC000017358866 963195683 /nfs/dbraw/zinc/19/56/83/963195683.db2.gz HMTCTWMYLUSQNY-UHFFFAOYSA-N -1 3 404.651 3.726 20 0 HHADHM O=C(NCCc1ccccc1F)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000018826257 963334571 /nfs/dbraw/zinc/33/45/71/963334571.db2.gz OTKVOYDNPHIXCY-UHFFFAOYSA-N -1 3 416.449 3.738 20 0 HHADHM O=S(=O)([N-]Cc1ccn(C2CCCC2)n1)c1c(F)cccc1OC(F)(F)F ZINC000553533033 1013430967 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HHADHM O=C(NC[C@H]1CCCc2ccccc21)N[N-]C(=O)c1ccccc1Br ZINC000046939379 968014045 /nfs/dbraw/zinc/01/40/45/968014045.db2.gz CPGPJKMKGKFLLU-CQSZACIVSA-N -1 3 402.292 3.513 20 0 HHADHM COc1ccccc1[C@H](C[N-]S(=O)(=O)c1ccc(Cl)s1)N1CCCC1 ZINC000047032310 968035081 /nfs/dbraw/zinc/03/50/81/968035081.db2.gz ZIMCOLJFIRAYND-AWEZNQCLSA-N -1 3 400.953 3.526 20 0 HHADHM CCOc1ccc([C@H](NC(=O)N[N-]C(=O)c2ccccc2F)c2ccccc2)cc1 ZINC000047069220 968045706 /nfs/dbraw/zinc/04/57/06/968045706.db2.gz DLYQJRUSJSUTSN-OAQYLSRUSA-N -1 3 407.445 3.958 20 0 HHADHM O=C(N[N-]C(=O)c1cccc([N+](=O)[O-])c1)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000047129732 968062868 /nfs/dbraw/zinc/06/28/68/968062868.db2.gz XPDZIPUUUHWEGZ-SFHVURJKSA-N -1 3 400.410 3.609 20 0 HHADHM Cc1ccc(CN(C)C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)cc1 ZINC000047269472 968112810 /nfs/dbraw/zinc/11/28/10/968112810.db2.gz YJDVSZDUEVYFGQ-UHFFFAOYSA-N -1 3 401.463 3.535 20 0 HHADHM O=C(Nc1ccc(Cl)cc1F)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000047268364 968112825 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1013823847 /nfs/dbraw/zinc/82/38/47/1013823847.db2.gz YHDWWWQNUKJCSJ-LLVKDONJSA-N -1 3 402.925 3.630 20 0 HHADHM COc1cccc([C@H](C[N-]S(=O)(=O)c2ccc(Cl)s2)N2CCCC2)c1 ZINC000069098930 968814159 /nfs/dbraw/zinc/81/41/59/968814159.db2.gz SBQZMHAWJOEBJH-HNNXBMFYSA-N -1 3 400.953 3.526 20 0 HHADHM CCOC(=O)[C@@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)c1ccccc1 ZINC000069297785 968826835 /nfs/dbraw/zinc/82/68/35/968826835.db2.gz HGCPBTYUGOEPJA-KRWDZBQOSA-N -1 3 406.467 3.918 20 0 HHADHM CN(C)C(=O)COc1ccc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])cc1 ZINC000072067440 968969385 /nfs/dbraw/zinc/96/93/85/968969385.db2.gz BGKZLFLNKLXXOZ-UHFFFAOYSA-N -1 3 404.466 3.702 20 0 HHADHM CN(C)[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1c(F)cccc1F ZINC000097572928 969167532 /nfs/dbraw/zinc/16/75/32/969167532.db2.gz QWNSEVCRODBGNN-CQSZACIVSA-N -1 3 409.285 3.853 20 0 HHADHM CC(C)C[N-]S(=O)(=O)c1cc(C(=O)NCc2cccs2)c(Cl)cc1Cl ZINC000098067890 969188934 /nfs/dbraw/zinc/18/89/34/969188934.db2.gz LMSDBWNQLVRQGP-UHFFFAOYSA-N -1 3 421.371 3.919 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)Cc3ccc4c(c3)CCO4)cc2)cc1 ZINC000105468133 969239950 /nfs/dbraw/zinc/23/99/50/969239950.db2.gz DDNIZNDZMAUOJE-UHFFFAOYSA-N -1 3 422.506 3.912 20 0 HHADHM O=C(CCOc1ccccc1)N1CCC[C@H](C(=O)Nc2cc(Cl)ccc2[O-])C1 ZINC000108801954 969421020 /nfs/dbraw/zinc/42/10/20/969421020.db2.gz BPNJSIRPNBYFTK-HNNXBMFYSA-N -1 3 402.878 3.692 20 0 HHADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000109040922 969454090 /nfs/dbraw/zinc/45/40/90/969454090.db2.gz XIMAZRQVJONQTN-SFHVURJKSA-N -1 3 413.271 3.504 20 0 HHADHM COc1cc(Cl)c(C)cc1NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000109188050 969475499 /nfs/dbraw/zinc/47/54/99/969475499.db2.gz RWCWDLILLZURTQ-UHFFFAOYSA-N -1 3 412.877 3.682 20 0 HHADHM Cc1ccc(C(=O)NC[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)c([O-])c1 ZINC000109930319 969596499 /nfs/dbraw/zinc/59/64/99/969596499.db2.gz QURYMWNTDYRQJR-SFHVURJKSA-N -1 3 408.420 3.523 20 0 HHADHM Cc1ccc(C(=O)N2CCN(C(=O)c3cc(Cc4ccccc4)ccc3[O-])CC2)s1 ZINC000110232171 969641184 /nfs/dbraw/zinc/64/11/84/969641184.db2.gz CYBNITOSFMVGOO-UHFFFAOYSA-N -1 3 420.534 3.951 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2sc(CC(C)C)nc2C)cc1OC ZINC000110698123 969709132 /nfs/dbraw/zinc/70/91/32/969709132.db2.gz OAFXNGRXSBMPOH-UHFFFAOYSA-N -1 3 411.549 3.673 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC(C(=O)c4ccc(C)cc4)CC3)nc2)n1 ZINC000111121042 969780705 /nfs/dbraw/zinc/78/07/05/969780705.db2.gz JSHRDOXQYBLUNN-UHFFFAOYSA-N -1 3 402.498 3.802 20 0 HHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC(c4nc5ccccc5[nH]4)CC3)nc2)n1 ZINC000111220869 969808339 /nfs/dbraw/zinc/80/83/39/969808339.db2.gz UQVLSWHUBFUWEU-UHFFFAOYSA-N -1 3 400.486 3.655 20 0 HHADHM CCc1cc(=O)[n-]c(SCc2ccccc2CSc2nc(CC)cc(=O)[nH]2)n1 ZINC000111895663 969812318 /nfs/dbraw/zinc/81/23/18/969812318.db2.gz MUPMMNBTTQCAMI-UHFFFAOYSA-N -1 3 414.556 3.563 20 0 HHADHM O=C(Cc1cccc2ccccc21)[N-]OCC(=O)Nc1ccc(Br)cc1 ZINC000112628047 969819372 /nfs/dbraw/zinc/81/93/72/969819372.db2.gz SIUDNSCBGBUGCI-UHFFFAOYSA-N -1 3 413.271 3.831 20 0 HHADHM O=C(NCCc1cc(Cl)cc(Cl)c1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000115989585 969866802 /nfs/dbraw/zinc/86/68/02/969866802.db2.gz CSUUPPADAQIVSL-KRWDZBQOSA-N -1 3 407.297 3.663 20 0 HHADHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(-c3ccc4c(c3)CCO4)cc2)c1 ZINC000116200092 969880025 /nfs/dbraw/zinc/88/00/25/969880025.db2.gz WPRFPGCXTMIUDY-UHFFFAOYSA-N -1 3 402.450 3.883 20 0 HHADHM O=C(N[C@@H]1C[C@H]1c1ccccc1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000138979973 970017960 /nfs/dbraw/zinc/01/79/60/970017960.db2.gz ZDZAGXXHEGRHLK-GHTZIAJQSA-N -1 3 410.470 3.912 20 0 HHADHM Cc1cc(N2CCN(C)CC2)ccc1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000216134912 970063869 /nfs/dbraw/zinc/06/38/69/970063869.db2.gz GTFRLFSYZFSDQN-UHFFFAOYSA-N -1 3 413.465 3.566 20 0 HHADHM COC(=O)c1sc2[n-]c(C(Cl)=Cc3ccc(NC(C)=O)cc3)nc(=O)c2c1C ZINC000229927145 970133409 /nfs/dbraw/zinc/13/34/09/970133409.db2.gz JPUXLSTWHARMIZ-MDWZMJQESA-N -1 3 417.874 3.775 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N(C)Cc1ccncc1 ZINC000145055680 970250508 /nfs/dbraw/zinc/25/05/08/970250508.db2.gz MWFVRLSVKIJCCT-UHFFFAOYSA-N -1 3 413.474 3.602 20 0 HHADHM COc1cccc(Cc2cnc(NC(=O)N[N-]C(=O)c3ccccc3Cl)s2)c1 ZINC000145617015 970266962 /nfs/dbraw/zinc/26/69/62/970266962.db2.gz MZARCSLUBCJPNR-UHFFFAOYSA-N -1 3 416.890 3.862 20 0 HHADHM CCCOCC(=O)Nc1ccc(OC)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000146770098 970308805 /nfs/dbraw/zinc/30/88/05/970308805.db2.gz KMRUCTPZRMMSAM-UHFFFAOYSA-N -1 3 412.895 3.515 20 0 HHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCCOC3CCCC3)c2)cc1 ZINC000195572113 970520755 /nfs/dbraw/zinc/52/07/55/970520755.db2.gz PNEQRNWHAWGTQQ-UHFFFAOYSA-N -1 3 416.543 3.793 20 0 HHADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CC(C)(C)C(F)(F)F ZINC000554664668 1014005372 /nfs/dbraw/zinc/00/53/72/1014005372.db2.gz YSVBFHKRIAOIHG-JTQLQIEISA-N -1 3 403.850 3.621 20 0 HHADHM O=C(Nc1ccc2c(c1)nc1n2CCCCC1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000195618957 970561448 /nfs/dbraw/zinc/56/14/48/970561448.db2.gz CAEZXGWKIZSHMR-HXUWFJFHSA-N -1 3 418.497 3.712 20 0 HHADHM C[C@@H](CNC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)N(C)Cc1ccccc1 ZINC000261475453 970709322 /nfs/dbraw/zinc/70/93/22/970709322.db2.gz WRTRYROQBDRCFX-SFHVURJKSA-N -1 3 409.530 3.517 20 0 HHADHM Cc1cnc(Br)c([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000311715078 972627278 /nfs/dbraw/zinc/62/72/78/972627278.db2.gz OKUYEDRKTLULIQ-UHFFFAOYSA-N -1 3 406.099 3.716 20 0 HHADHM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2ccc(Br)c(F)c2)c1Cl ZINC000318704568 972665249 /nfs/dbraw/zinc/66/52/49/972665249.db2.gz DWFMOOQMEKYPDO-UHFFFAOYSA-N -1 3 409.620 3.951 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)cnc2Br)cc1[N+](=O)[O-] ZINC000318996932 972667957 /nfs/dbraw/zinc/66/79/57/972667957.db2.gz JEHBWVRQQJEJCT-UHFFFAOYSA-N -1 3 406.645 3.515 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cc(Cl)cnc2Br)cc1OC ZINC000323533556 972712576 /nfs/dbraw/zinc/71/25/76/972712576.db2.gz MHNDOPOGEWAAQQ-UHFFFAOYSA-N -1 3 421.700 3.624 20 0 HHADHM Cc1cnc(Br)c([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c1 ZINC000323757364 972714516 /nfs/dbraw/zinc/71/45/16/972714516.db2.gz UBDWKMKMFZDRED-UHFFFAOYSA-N -1 3 420.672 3.823 20 0 HHADHM O=S(=O)([N-]c1cccc(CN2CCCC2)c1)c1ccc(F)cc1Br ZINC000324563725 972723600 /nfs/dbraw/zinc/72/36/00/972723600.db2.gz QUAKPMGXXONHCZ-UHFFFAOYSA-N -1 3 413.312 3.985 20 0 HHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1ccc(Br)cc1C(F)(F)F ZINC000327557519 972760255 /nfs/dbraw/zinc/76/02/55/972760255.db2.gz BHAVOABTHVTMCL-UHFFFAOYSA-N -1 3 412.169 3.900 20 0 HHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1ccc(Br)cc1C(F)(F)F ZINC000327557519 972760269 /nfs/dbraw/zinc/76/02/69/972760269.db2.gz BHAVOABTHVTMCL-UHFFFAOYSA-N -1 3 412.169 3.900 20 0 HHADHM CCN(Cc1cccc(F)c1)C(=O)c1c(C)oc2[n-]c(=O)n(-c3ccccc3)c(=O)c21 ZINC000409611719 973058582 /nfs/dbraw/zinc/05/85/82/973058582.db2.gz JNXCSEFPWAXVGK-UHFFFAOYSA-N -1 3 421.428 3.794 20 0 HHADHM Cc1cc(C)cc(CS(=O)(=O)[N-][C@@H](c2nc(-c3ccncc3)no2)C(C)C)c1 ZINC000410102167 973578330 /nfs/dbraw/zinc/57/83/30/973578330.db2.gz BJJLFOYYSHYUKR-GOSISDBHSA-N -1 3 400.504 3.565 20 0 HHADHM COC(=O)[C@H](c1ccsc1)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000410419345 974017251 /nfs/dbraw/zinc/01/72/51/974017251.db2.gz GFKNRQNQVRMDFJ-KRWDZBQOSA-N -1 3 408.907 3.672 20 0 HHADHM COC(=O)c1ccc(-c2nc(Cc3c[nH]c4cc(Br)ccc34)no2)[n-]1 ZINC000426463291 974465918 /nfs/dbraw/zinc/46/59/18/974465918.db2.gz XPVLAIBCTOPVMF-UHFFFAOYSA-N -1 3 401.220 3.686 20 0 HHADHM COc1ccc(Br)c(CNC2CCN(c3ccc(C(=O)[O-])cc3)CC2)c1 ZINC000426636708 974575097 /nfs/dbraw/zinc/57/50/97/974575097.db2.gz HTVZIUSOOKJGOL-UHFFFAOYSA-N -1 3 419.319 3.915 20 0 HHADHM CCS(=O)(=O)c1c(Cl)cccc1CNCC[C@H](Cc1ccccc1)C(=O)[O-] ZINC000426640907 974577987 /nfs/dbraw/zinc/57/79/87/974577987.db2.gz WCQJMYMQDIEYBQ-MRXNPFEDSA-N -1 3 409.935 3.557 20 0 HHADHM COc1ccc(CNC[C@@H](Cc2ccc(C)cc2)C(=O)[O-])c(Br)c1O ZINC000426642651 974578899 /nfs/dbraw/zinc/57/88/99/974578899.db2.gz KGKYRWSEJKKYPF-OAHLLOKOSA-N -1 3 408.292 3.505 20 0 HHADHM COc1ccc(C[NH2+]C[C@@H](Cc2ccc(C)cc2)C(=O)[O-])c(Br)c1[O-] ZINC000426642651 974578905 /nfs/dbraw/zinc/57/89/05/974578905.db2.gz KGKYRWSEJKKYPF-OAHLLOKOSA-N -1 3 408.292 3.505 20 0 HHADHM CCOc1c(CNC2CCN(c3ccc(C(=O)[O-])cc3)CC2)c(C)nn1CC(C)C ZINC000426648805 974581665 /nfs/dbraw/zinc/58/16/65/974581665.db2.gz UXPYRTYFYUQBMZ-UHFFFAOYSA-N -1 3 414.550 3.703 20 0 HHADHM COc1ccc(CNC2CCN(c3ccc(C(=O)[O-])cc3)CC2)c(Cl)c1OC ZINC000426655923 974585769 /nfs/dbraw/zinc/58/57/69/974585769.db2.gz GFECZCOWSKHHIP-UHFFFAOYSA-N -1 3 404.894 3.814 20 0 HHADHM O=C([O-])[C@H](CCCNCc1cn(-c2ccc(F)c(Cl)c2)nn1)Cc1ccccc1 ZINC000426675498 974594709 /nfs/dbraw/zinc/59/47/09/974594709.db2.gz SRYUWBYQRANNDM-MRXNPFEDSA-N -1 3 416.884 3.873 20 0 HHADHM CCN(C(=O)c1c[n-]c2ccc(Br)cc2c1=O)[C@H]1CCOC(C)(C)C1 ZINC000426685731 974599015 /nfs/dbraw/zinc/59/90/15/974599015.db2.gz KBOORZNZRSBYHC-ZDUSSCGKSA-N -1 3 407.308 3.710 20 0 HHADHM Cc1cccc([C@H](NCc2cc(Br)c3c(c2)OCCO3)C(=O)[O-])c1C ZINC000426739591 974626641 /nfs/dbraw/zinc/62/66/41/974626641.db2.gz DHHMHDGGNHQXJW-KRWDZBQOSA-N -1 3 406.276 3.753 20 0 HHADHM COc1cc(Cl)c(CN[C@H](CN2CCCc3ccccc32)C(=O)[O-])cc1Cl ZINC000426743209 974628942 /nfs/dbraw/zinc/62/89/42/974628942.db2.gz SSMITARXCIJUCA-QGZVFWFLSA-N -1 3 409.313 3.998 20 0 HHADHM O=C([O-])[C@H](CN1CCCCC1)NCc1cnc(-c2ccc(Br)cc2)s1 ZINC000426744462 974630090 /nfs/dbraw/zinc/63/00/90/974630090.db2.gz RBEYXIBWBZPXNS-INIZCTEOSA-N -1 3 424.364 3.601 20 0 HHADHM Cc1nn(-c2ccc(Br)cc2)cc1CN[C@H](C(=O)[O-])c1ccccc1 ZINC000426771004 974648151 /nfs/dbraw/zinc/64/81/51/974648151.db2.gz YFJLLYHLXCBQDD-SFHVURJKSA-N -1 3 400.276 3.859 20 0 HHADHM COc1ccc(C[NH2+][C@H](C(=O)[O-])C23CC4CC(CC(C4)C2)C3)c(Br)c1[O-] ZINC000426784429 974657392 /nfs/dbraw/zinc/65/73/92/974657392.db2.gz MHSSUZICXYDBRN-UFVKSWEXSA-N -1 3 424.335 3.923 20 0 HHADHM COc1cc(C[C@H](NCc2csc(-c3ccc(C)cc3)n2)C(=O)[O-])cc(OC)c1 ZINC000426818568 974684157 /nfs/dbraw/zinc/68/41/57/974684157.db2.gz SCPGVGOIUKJQGQ-FQEVSTJZSA-N -1 3 412.511 3.921 20 0 HHADHM CCOc1cc(CN[C@@H](C(=O)[O-])c2cccc(F)c2)cc(Br)c1OC ZINC000426824142 974689518 /nfs/dbraw/zinc/68/95/18/974689518.db2.gz GRKJMASFFXSQGV-MRXNPFEDSA-N -1 3 412.255 3.911 20 0 HHADHM C[C@H](c1cccc(Br)c1)S(=O)(=O)Cc1nc(-c2cccs2)n[n-]1 ZINC000427081238 974886739 /nfs/dbraw/zinc/88/67/39/974886739.db2.gz LOVMBSQNVBZWAC-SNVBAGLBSA-N -1 3 412.334 3.972 20 0 HHADHM COC(=O)C1(CS(=O)(=O)[N-]c2cccc(OCc3cccnc3)c2)CCCCC1 ZINC000427106509 974908252 /nfs/dbraw/zinc/90/82/52/974908252.db2.gz GPGQVSYBZVTDMW-UHFFFAOYSA-N -1 3 418.515 3.526 20 0 HHADHM COCc1cc(C(=O)OC)cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)c1 ZINC000427217669 974985172 /nfs/dbraw/zinc/98/51/72/974985172.db2.gz RGEMJJJLUOKAJJ-UHFFFAOYSA-N -1 3 421.368 3.578 20 0 HHADHM Cc1nc2ccc(S(=O)(=O)[N-]c3cccc4c3OCC[C@@H]4N(C)C)cc2s1 ZINC000427306141 975040191 /nfs/dbraw/zinc/04/01/91/975040191.db2.gz ZQXRUYPQNGBORK-KRWDZBQOSA-N -1 3 403.529 3.791 20 0 HHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cc3sc(C)nc3cc2Cl)cnc1C ZINC000427307513 975041293 /nfs/dbraw/zinc/04/12/93/975041293.db2.gz IHZFQUCUUOQRQS-UHFFFAOYSA-N -1 3 411.892 3.549 20 0 HHADHM COC(=O)c1cccc([N-]C(=O)c2cc(-c3ccccn3)no2)c1Br ZINC000427745833 975264993 /nfs/dbraw/zinc/26/49/93/975264993.db2.gz FMWFAYPTUKSWNQ-UHFFFAOYSA-N -1 3 402.204 3.538 20 0 HHADHM COc1ccccc1[C@H]([N-]S(=O)(=O)c1cnn(-c2ccccc2)c1)c1ccco1 ZINC000427800867 975297298 /nfs/dbraw/zinc/29/72/98/975297298.db2.gz IDEPZTFFBWNPHT-NRFANRHFSA-N -1 3 409.467 3.542 20 0 HHADHM C[C@@H]1CCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)CCS1 ZINC000427916908 975348599 /nfs/dbraw/zinc/34/85/99/975348599.db2.gz UBLZHCYHQCEPFI-CQSZACIVSA-N -1 3 408.520 3.594 20 0 HHADHM COc1cc(C)cc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)c1C ZINC000428054523 975408756 /nfs/dbraw/zinc/40/87/56/975408756.db2.gz NTIRIDXHXGAPGV-UHFFFAOYSA-N -1 3 417.462 3.832 20 0 HHADHM O=S(=O)([N-]C[C@@]1(CO)C[C@@H]1c1ccc(F)cc1)c1c(Cl)cccc1Cl ZINC000428368451 975688390 /nfs/dbraw/zinc/68/83/90/975688390.db2.gz DJGJNEUFLLSESU-CXAGYDPISA-N -1 3 404.290 3.577 20 0 HHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@]2(CO)C[C@H]2c2ccc(F)cc2)c1Cl ZINC000428394541 975714907 /nfs/dbraw/zinc/71/49/07/975714907.db2.gz BMAMTVPLAVCOQG-KBXCAEBGSA-N -1 3 418.317 3.885 20 0 HHADHM COC(=O)c1cc(Br)cc([N-]C(=O)c2ncc(F)cc2F)c1Cl ZINC000428519155 975812600 /nfs/dbraw/zinc/81/26/00/975812600.db2.gz UCCXKHKDCUGIBW-UHFFFAOYSA-N -1 3 405.582 3.815 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N(C)Cc2cc(C)ccc2C)cc1OC ZINC000428698823 975989399 /nfs/dbraw/zinc/98/93/99/975989399.db2.gz FLLXKHUAHNIKPH-UHFFFAOYSA-N -1 3 405.520 3.738 20 0 HHADHM Cc1nc(C)c(CCC(=O)N[C@H]2c3cccc(Br)c3CC2(C)C)c(=O)[n-]1 ZINC000428768096 976039497 /nfs/dbraw/zinc/03/94/97/976039497.db2.gz YWYVTXDIPKFBFK-SFHVURJKSA-N -1 3 418.335 3.934 20 0 HHADHM COc1ccccc1-c1noc([C@H](C)[N-]S(=O)(=O)c2c(C)cc(F)cc2C)n1 ZINC000429826303 977096756 /nfs/dbraw/zinc/09/67/56/977096756.db2.gz HJFCWHCTAKTNER-ZDUSSCGKSA-N -1 3 405.451 3.541 20 0 HHADHM COC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429827392 977097491 /nfs/dbraw/zinc/09/74/91/977097491.db2.gz MBANPQNLLLVADK-AWEZNQCLSA-N -1 3 418.740 3.639 20 0 HHADHM O=S(=O)([N-]CCC[C@H]1CCCC[C@@H]1O)c1cc(Cl)ccc1Br ZINC000429856291 977127843 /nfs/dbraw/zinc/12/78/43/977127843.db2.gz HEKZVFBHIRUBKO-RISCZKNCSA-N -1 3 410.761 3.712 20 0 HHADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@@H]2C[C@H]2c2cccc3ccccc32)s1 ZINC000430019223 977274987 /nfs/dbraw/zinc/27/49/87/977274987.db2.gz DSLIYMOESLSYQK-JKSUJKDBSA-N -1 3 417.508 3.531 20 0 HHADHM C[C@@H]1C[C@@]2(CCO1)CN(Cc1nc(=O)c3c(-c4ccco4)csc3[n-]1)C[C@@H](C)O2 ZINC000430263593 977431278 /nfs/dbraw/zinc/43/12/78/977431278.db2.gz YGSKISLLLWZNLS-LKBUQDJMSA-N -1 3 415.515 3.815 20 0 HHADHM CC[C@@H](CO)N(Cc1ccccc1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000430342658 977489918 /nfs/dbraw/zinc/48/99/18/977489918.db2.gz MCXHDVXKCJXYTI-INIZCTEOSA-N -1 3 407.308 3.637 20 0 HHADHM CC(C)(C)n1cnc(NC(=O)c2c[n-]c3ccc(Oc4ccccc4)cc3c2=O)n1 ZINC000430563134 977632590 /nfs/dbraw/zinc/63/25/90/977632590.db2.gz HUABIQMBUIXTQI-UHFFFAOYSA-N -1 3 403.442 3.919 20 0 HHADHM CC1(C)C[C@H](NC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)CCO1 ZINC000430572114 977638596 /nfs/dbraw/zinc/63/85/96/977638596.db2.gz PHKOFYISSZAMJA-SNVBAGLBSA-N -1 3 413.699 3.631 20 0 HHADHM CC[C@H](CSC)NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430587415 977646287 /nfs/dbraw/zinc/64/62/87/977646287.db2.gz ZJPAGSZLLUWCPR-SECBINFHSA-N -1 3 403.729 3.815 20 0 HHADHM CC[C@@H](CSC)NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430587417 977646554 /nfs/dbraw/zinc/64/65/54/977646554.db2.gz ZJPAGSZLLUWCPR-VIFPVBQESA-N -1 3 403.729 3.815 20 0 HHADHM CC[C@H]1CO[C@H](C)CN1C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430592161 977648530 /nfs/dbraw/zinc/64/85/30/977648530.db2.gz CGMIOYHRTQANCY-KOLCDFICSA-N -1 3 413.699 3.584 20 0 HHADHM C[C@H]1C[C@@H]1c1cc(NC(=O)c2c[n-]c3ccc(Oc4ccccc4)cc3c2=O)n[nH]1 ZINC000430632483 977662016 /nfs/dbraw/zinc/66/20/16/977662016.db2.gz YKBRGZQCUPGQPK-BBRMVZONSA-N -1 3 400.438 4.419 20 0 HHADHM O=C(Nc1cnn(-c2ncccn2)c1)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430670942 977681878 /nfs/dbraw/zinc/68/18/78/977681878.db2.gz WPODCYSMQCAZGG-UHFFFAOYSA-N -1 3 424.420 3.548 20 0 HHADHM O=C(NCc1ccc([O-])c(F)c1)N(CCn1ccnc1)Cc1cccc(Cl)c1 ZINC000430863778 977823079 /nfs/dbraw/zinc/82/30/79/977823079.db2.gz LLNSEAGOFWSTCE-UHFFFAOYSA-N -1 3 402.857 3.793 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@H]1c2cccc(F)c2CC[C@@H]1C ZINC000431045100 977975684 /nfs/dbraw/zinc/97/56/84/977975684.db2.gz MQQCVLNPZJVBJX-RCDICMHDSA-N -1 3 420.488 3.652 20 0 HHADHM COC(=O)c1cccc([N-]S(=O)(=O)c2cc(F)ccc2Br)c1Cl ZINC000431181602 978080653 /nfs/dbraw/zinc/08/06/53/978080653.db2.gz MIDHUEDYSDAEHS-UHFFFAOYSA-N -1 3 422.659 3.829 20 0 HHADHM C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1ncc(Br)cn1 ZINC000431619103 978389033 /nfs/dbraw/zinc/38/90/33/978389033.db2.gz FQOFKZWOHFWJBG-SSDOTTSWSA-N -1 3 411.108 3.585 20 0 HHADHM O=C(NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1cc(F)cc2n[n-]nc21 ZINC000431759090 978489523 /nfs/dbraw/zinc/48/95/23/978489523.db2.gz HTGYOMOUGWEFJH-UHFFFAOYSA-N -1 3 422.382 3.594 20 0 HHADHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)c2sc(-c3ccccc3)nc2C)oc1C ZINC000431807698 978528441 /nfs/dbraw/zinc/52/84/41/978528441.db2.gz IAYCRBMAAFROJV-LBPRGKRZSA-N -1 3 420.512 3.846 20 0 HHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]Cc1cccc(N2CCOCC2)c1 ZINC000432281719 978742521 /nfs/dbraw/zinc/74/25/21/978742521.db2.gz YJTZZKMRVDGLQT-UHFFFAOYSA-N -1 3 420.918 3.710 20 0 HHADHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]CC[C@H](c2ccccc2)C(F)(F)F)c1 ZINC000432299663 978751478 /nfs/dbraw/zinc/75/14/78/978751478.db2.gz FRURHUDXBIWFRB-MRXNPFEDSA-N -1 3 419.396 3.627 20 0 HHADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]CC[C@@H](c1ccccc1)C(F)(F)F ZINC000432300469 978751927 /nfs/dbraw/zinc/75/19/27/978751927.db2.gz SYZMRICFRHSHKT-ZDUSSCGKSA-N -1 3 421.462 3.858 20 0 HHADHM Cn1c2ccccc2n2c(SCc3nc4c5ccccc5oc4c(=O)[n-]3)nnc12 ZINC000432351297 978772383 /nfs/dbraw/zinc/77/23/83/978772383.db2.gz LBQKYTCDOANMBO-UHFFFAOYSA-N -1 3 402.439 3.908 20 0 HHADHM Cc1ccc(NC(=O)CCc2cncs2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000432399416 978796101 /nfs/dbraw/zinc/79/61/01/978796101.db2.gz HGDZMVHXCBJAAY-UHFFFAOYSA-N -1 3 419.503 3.963 20 0 HHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)Cc3cccc(OCC(F)(F)F)c3)cc2)n1 ZINC000432450270 978818366 /nfs/dbraw/zinc/81/83/66/978818366.db2.gz UOAZEPPULOPUIN-UHFFFAOYSA-N -1 3 417.387 3.868 20 0 HHADHM CN(C)[C@H]1CCOc2c([N-]S(=O)(=O)c3ccccc3Br)cccc21 ZINC000432478669 978837074 /nfs/dbraw/zinc/83/70/74/978837074.db2.gz OFGKGTPMVRTWTM-HNNXBMFYSA-N -1 3 411.321 3.635 20 0 HHADHM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cccc4c3OCC[C@H]4N(C)C)cc(Cl)c2O1 ZINC000432480956 978838819 /nfs/dbraw/zinc/83/88/19/978838819.db2.gz XQPBSJMCULAXMT-KZULUSFZSA-N -1 3 422.934 3.849 20 0 HHADHM C[C@H](SC[C@@H]1CCS(=O)(=O)C1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000432517382 978859803 /nfs/dbraw/zinc/85/98/03/978859803.db2.gz GBIMWAGZRZMXTM-QWRGUYRKSA-N -1 3 410.542 3.886 20 0 HHADHM COc1cc(C)ccc1-c1noc(-c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)n1 ZINC000432546138 978878113 /nfs/dbraw/zinc/87/81/13/978878113.db2.gz MABSJCNDNZRRPE-UHFFFAOYSA-N -1 3 419.478 3.937 20 0 HHADHM O=C([N-]c1nnc([C@@H]2CCCc3ccccc32)s1)c1cn(-c2ccccc2)nn1 ZINC000432577488 978897234 /nfs/dbraw/zinc/89/72/34/978897234.db2.gz GYHBIEOOFFGAHU-QGZVFWFLSA-N -1 3 402.483 3.839 20 0 HHADHM COc1cc(OC)cc(S(=O)(=O)[N-]c2ccc(Br)c(C)c2F)c1 ZINC000432645880 978924018 /nfs/dbraw/zinc/92/40/18/978924018.db2.gz QFDRBPMOKVITJB-UHFFFAOYSA-N -1 3 404.257 3.715 20 0 HHADHM COC(=O)c1cnc(S[C@H](C)c2nc(=O)c3c4c(sc3[nH]2)C[C@@H](C)CC4)[n-]1 ZINC000432668858 978930377 /nfs/dbraw/zinc/93/03/77/978930377.db2.gz LCEXZYNQWDOSCC-DTWKUNHWSA-N -1 3 404.517 3.885 20 0 HHADHM COC(=O)c1cnc(SCC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)[n-]1 ZINC000432670278 978930765 /nfs/dbraw/zinc/93/07/65/978930765.db2.gz RTOXQMMFSLXXQF-QGZVFWFLSA-N -1 3 401.532 3.950 20 0 HHADHM CN(C)c1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCc4ccccc43)c2)cc1 ZINC000432765112 978965568 /nfs/dbraw/zinc/96/55/68/978965568.db2.gz AOYJWJVRTJSJFD-UHFFFAOYSA-N -1 3 421.522 3.756 20 0 HHADHM CCOC(=O)COc1ccc([N-]S(=O)(=O)c2cc(C(C)C)c(OC)cc2C)cc1 ZINC000432769660 978968347 /nfs/dbraw/zinc/96/83/47/978968347.db2.gz DGJQHCQYCVBYBA-UHFFFAOYSA-N -1 3 421.515 3.870 20 0 HHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cc(CN3CCOCC3)ccc2C)cc1Cl ZINC000432962029 979025907 /nfs/dbraw/zinc/02/59/07/979025907.db2.gz VCKRRORBFJRJLK-UHFFFAOYSA-N -1 3 424.950 3.598 20 0 HHADHM O=S(=O)([N-][C@H](c1cc(F)ccc1F)C(F)F)c1cnn(-c2ccccc2F)c1 ZINC000432969518 979028662 /nfs/dbraw/zinc/02/86/62/979028662.db2.gz GFRCIGSCUCKHBL-MRXNPFEDSA-N -1 3 417.359 3.574 20 0 HHADHM Cc1nc(C(C)C)oc1C(=O)[N-]c1ncn(Cc2cccc(Br)c2)n1 ZINC000433234153 979166477 /nfs/dbraw/zinc/16/64/77/979166477.db2.gz JHHBTZVPLVGLPY-UHFFFAOYSA-N -1 3 404.268 3.761 20 0 HHADHM Cn1c2ccccc2nc1[C@@H](NC(=O)c1cc(F)cc2n[n-]nc21)c1ccccc1 ZINC000433301935 979224182 /nfs/dbraw/zinc/22/41/82/979224182.db2.gz HJPSXAPWSYCAEE-IBGZPJMESA-N -1 3 400.417 3.503 20 0 HHADHM O=S(=O)([N-][C@H]1CCOC2(CCSCC2)C1)c1csc(-c2ccccc2)n1 ZINC000433409730 979283191 /nfs/dbraw/zinc/28/31/91/979283191.db2.gz KYMOCTRINJZDFN-HNNXBMFYSA-N -1 3 410.586 3.533 20 0 HHADHM O=S(=O)(Cc1ccc(Cl)cc1Cl)[N-]Cc1noc(-c2ccccc2F)n1 ZINC000433469406 979322993 /nfs/dbraw/zinc/32/29/93/979322993.db2.gz HTMZLAGEGGKZLG-UHFFFAOYSA-N -1 3 416.261 3.802 20 0 HHADHM O=S(=O)([N-][C@H]1CCOC2(CCSCC2)C1)c1ccc(F)cc1C(F)(F)F ZINC000433484161 979330030 /nfs/dbraw/zinc/33/00/30/979330030.db2.gz PBWRQMDWOJTRAW-LBPRGKRZSA-N -1 3 413.458 3.568 20 0 HHADHM CCc1cccc(S(=O)(=O)[N-]c2cc(NC(=O)c3cnoc3C)ccc2F)c1 ZINC000433490647 979333859 /nfs/dbraw/zinc/33/38/59/979333859.db2.gz YGCZRAKWMVKEGR-UHFFFAOYSA-N -1 3 403.435 3.738 20 0 HHADHM CCOc1cccc(CC[N-]S(=O)(=O)c2sc(C)cc2Br)c1 ZINC000433498601 979338977 /nfs/dbraw/zinc/33/89/77/979338977.db2.gz WJTBYFFIHOZXFD-UHFFFAOYSA-N -1 3 404.351 3.739 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@H](c2cccnc2)C(C)C)s1 ZINC000433728498 979523099 /nfs/dbraw/zinc/52/30/99/979523099.db2.gz BRUPOCKDFZPQDS-CYBMUJFWSA-N -1 3 403.367 3.932 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCOc3ccccc32)sc1Br ZINC000433825760 979604102 /nfs/dbraw/zinc/60/41/02/979604102.db2.gz IELMCZYATGZCSR-NSHDSACASA-N -1 3 402.335 3.664 20 0 HHADHM C[C@H](CC(=O)Nc1ccc(Cc2nnn[n-]2)cc1)c1ccc(Br)cc1 ZINC000433938014 979697139 /nfs/dbraw/zinc/69/71/39/979697139.db2.gz BEEHQFSHKMFDQM-GFCCVEGCSA-N -1 3 400.280 3.685 20 0 HHADHM C[C@H](CC(=O)Nc1ccc(Cc2nn[n-]n2)cc1)c1ccc(Br)cc1 ZINC000433938014 979697146 /nfs/dbraw/zinc/69/71/46/979697146.db2.gz BEEHQFSHKMFDQM-GFCCVEGCSA-N -1 3 400.280 3.685 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(F)cc2-c2ccc(F)cc2)c(C)o1 ZINC000433950541 979709466 /nfs/dbraw/zinc/70/94/66/979709466.db2.gz XTUGWBNEBCNTGV-UHFFFAOYSA-N -1 3 406.410 3.694 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2nc(-c3ccccc3Cl)cs2)c(C)o1 ZINC000433996614 979744478 /nfs/dbraw/zinc/74/44/78/979744478.db2.gz GMKWPOZAUPDVLO-UHFFFAOYSA-N -1 3 411.892 3.525 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccccc2Oc2ccc(C)cc2)c(C)o1 ZINC000434002124 979749611 /nfs/dbraw/zinc/74/96/11/979749611.db2.gz MRMZZEWUEUXMFF-UHFFFAOYSA-N -1 3 414.483 3.527 20 0 HHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)F)(C3)C2 ZINC000434008105 979755264 /nfs/dbraw/zinc/75/52/64/979755264.db2.gz YZUDWGHHCRKNDC-BAUKFBFWSA-N -1 3 405.424 3.632 20 0 HHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)F)(C3)C2 ZINC000434008105 979755273 /nfs/dbraw/zinc/75/52/73/979755273.db2.gz YZUDWGHHCRKNDC-BAUKFBFWSA-N -1 3 405.424 3.632 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)N(Cc2ccco2)c2ccc(Cl)cc2)c(C)o1 ZINC000434008870 979755498 /nfs/dbraw/zinc/75/54/98/979755498.db2.gz RYVCBHFUZBYALL-UHFFFAOYSA-N -1 3 408.863 3.590 20 0 HHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)NC[C@@H](C)c3ccc(C)cc3)c2)[n-]1 ZINC000434125890 979882223 /nfs/dbraw/zinc/88/22/23/979882223.db2.gz QFMIZCPBMTYMNH-MRXNPFEDSA-N -1 3 421.501 3.560 20 0 HHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)NC[C@@H](C)c3ccc(C)cc3)c2)n[n-]1 ZINC000434125890 979882229 /nfs/dbraw/zinc/88/22/29/979882229.db2.gz QFMIZCPBMTYMNH-MRXNPFEDSA-N -1 3 421.501 3.560 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CC2(CCCC2)c2ccccc21 ZINC000434280352 980040110 /nfs/dbraw/zinc/04/01/10/980040110.db2.gz CXYFZINWCFRRJO-UHFFFAOYSA-N -1 3 414.509 3.932 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2-c2cc(F)c(F)c(F)c2)c(C)o1 ZINC000434318755 980081245 /nfs/dbraw/zinc/08/12/45/980081245.db2.gz VIEQPGBKCFJBEO-UHFFFAOYSA-N -1 3 424.400 3.833 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCc3cc(-c4cccc(F)c4)ccc32)c(C)o1 ZINC000434354065 980111434 /nfs/dbraw/zinc/11/14/34/980111434.db2.gz CWCHMPIYMVBBOL-UHFFFAOYSA-N -1 3 414.458 3.505 20 0 HHADHM CO[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1Br)c1ccc(Cl)cc1 ZINC000435213032 980725451 /nfs/dbraw/zinc/72/54/51/980725451.db2.gz KOWAROOJYWGWQP-CQSZACIVSA-N -1 3 422.703 3.908 20 0 HHADHM CO[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1Br)c1ccc(Cl)cc1 ZINC000435213031 980725557 /nfs/dbraw/zinc/72/55/57/980725557.db2.gz KOWAROOJYWGWQP-AWEZNQCLSA-N -1 3 422.703 3.908 20 0 HHADHM O=S(=O)([N-]Cc1cccc(Br)c1)c1cc(F)ccc1Br ZINC000435216299 980727421 /nfs/dbraw/zinc/72/74/21/980727421.db2.gz JLJOCHFWQQDUSX-UHFFFAOYSA-N -1 3 423.101 3.829 20 0 HHADHM CC[C@@](C)([N-]S(=O)(=O)c1cc(F)ccc1Br)c1nc(C)cs1 ZINC000435221307 980730250 /nfs/dbraw/zinc/73/02/50/980730250.db2.gz XMXPVEWLSACSQH-CQSZACIVSA-N -1 3 407.330 3.957 20 0 HHADHM O=S(=O)([N-][C@@H]1CCOc2ccc(F)cc21)c1cc(F)ccc1Br ZINC000435221227 980730403 /nfs/dbraw/zinc/73/04/03/980730403.db2.gz WQGQAMHURPCDFE-CYBMUJFWSA-N -1 3 404.232 3.529 20 0 HHADHM COc1cccc(C[C@H](C)[N-]S(=O)(=O)c2cc(F)ccc2Br)c1 ZINC000435224642 980732822 /nfs/dbraw/zinc/73/28/22/980732822.db2.gz ZIDXFWIYDLINIA-NSHDSACASA-N -1 3 402.285 3.506 20 0 HHADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc3ccccc3c2)s1 ZINC000435436615 980862206 /nfs/dbraw/zinc/86/22/06/980862206.db2.gz GNKMYIXLSVLFAC-JKSUJKDBSA-N -1 3 417.508 3.531 20 0 HHADHM COc1ccc(C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)c(OC)c1OC ZINC000435442816 980865409 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409.483 3.568 20 0 HHADHM O=C(NC[C@@H]1CCC(F)(F)C1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000435957102 981112766 /nfs/dbraw/zinc/11/27/66/981112766.db2.gz KFRKEIZCQSWIQG-CYBMUJFWSA-N -1 3 412.433 3.792 20 0 HHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NC1CC(F)(c2cccc(Cl)c2)C1 ZINC000435957928 981112819 /nfs/dbraw/zinc/11/28/19/981112819.db2.gz VORFBWRRJXEKAN-UHFFFAOYSA-N -1 3 414.868 3.962 20 0 HHADHM Cc1cc(Br)cc(S(=O)(=O)[N-]c2cc3c(cc2F)CCC(=O)N3)c1 ZINC000436015332 981156128 /nfs/dbraw/zinc/15/61/28/981156128.db2.gz HMPLXGHTGYBPRN-UHFFFAOYSA-N -1 3 413.268 3.582 20 0 HHADHM CCOC(=O)c1nc(C2CCN(C(=O)Nc3ccc(Cl)cc3Cl)CC2)n[n-]1 ZINC000436099075 981199730 /nfs/dbraw/zinc/19/97/30/981199730.db2.gz CSQZHSOZGJDOAD-UHFFFAOYSA-N -1 3 412.277 3.700 20 0 HHADHM CCOC(=O)c1nnc(C2CCN(C(=O)Nc3ccc(Cl)cc3Cl)CC2)[n-]1 ZINC000436099075 981199732 /nfs/dbraw/zinc/19/97/32/981199732.db2.gz CSQZHSOZGJDOAD-UHFFFAOYSA-N -1 3 412.277 3.700 20 0 HHADHM Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)N1CCc2c(=O)[n-]cnc2C1 ZINC000436106369 981203344 /nfs/dbraw/zinc/20/33/44/981203344.db2.gz TVMSKKFKOXVEDZ-UHFFFAOYSA-N -1 3 405.241 3.651 20 0 HHADHM COC[C@H]([N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl)c1ccc(F)cc1 ZINC000436172135 981233099 /nfs/dbraw/zinc/23/30/99/981233099.db2.gz MTRBJADBRAIMFT-LBPRGKRZSA-N -1 3 408.278 3.807 20 0 HHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC(c2nncn2C2CC2)CC1 ZINC000436480620 981394839 /nfs/dbraw/zinc/39/48/39/981394839.db2.gz FIVLUUKEVWCOBK-UHFFFAOYSA-N -1 3 402.498 3.929 20 0 HHADHM CC1(C)Cc2ccc(C(=O)Nc3ccc(Cl)c(N4CCNC4=O)c3)c([O-])c2O1 ZINC000436482781 981395282 /nfs/dbraw/zinc/39/52/82/981395282.db2.gz BETKGEANSLLQGS-UHFFFAOYSA-N -1 3 401.850 3.541 20 0 HHADHM C[C@@H](CC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(F)cc1F ZINC000436481939 981395429 /nfs/dbraw/zinc/39/54/29/981395429.db2.gz FYTNNSYIVPQGTJ-AWEZNQCLSA-N -1 3 402.441 3.585 20 0 HHADHM Cc1cccc(CN(C)C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)n1 ZINC000436523003 981415845 /nfs/dbraw/zinc/41/58/45/981415845.db2.gz 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CC(C)OCc1ccc(NC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436539515 981429736 /nfs/dbraw/zinc/42/97/36/981429736.db2.gz UKLBZVXFBFYANX-UHFFFAOYSA-N -1 3 411.502 3.744 20 0 HHADHM COC(=O)[C@@H]1CN(C(=O)c2cc(OCc3ccccc3)ccc2[O-])c2ccccc21 ZINC000436546296 981433398 /nfs/dbraw/zinc/43/33/98/981433398.db2.gz OBCLHUGMPLWAMQ-HXUWFJFHSA-N -1 3 403.434 3.888 20 0 HHADHM COc1ccc(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)c([O-])c1 ZINC000436546335 981434306 /nfs/dbraw/zinc/43/43/06/981434306.db2.gz UYVPFXDMSYKELK-UHFFFAOYSA-N -1 3 420.303 3.642 20 0 HHADHM CC1(C)Cc2ccc(C(=O)Nc3ccc(CCC(=O)N4CCCC4)cc3)c([O-])c2O1 ZINC000436552455 981437934 /nfs/dbraw/zinc/43/79/34/981437934.db2.gz WSNKZQIMOIFHTC-UHFFFAOYSA-N -1 3 408.498 3.913 20 0 HHADHM C[C@@H](c1cccnc1)N1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000436553477 981438459 /nfs/dbraw/zinc/43/84/59/981438459.db2.gz GWOKWNSMTAMUFJ-IBGZPJMESA-N -1 3 401.510 3.897 20 0 HHADHM CN(CCC1CCOCC1)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436554449 981439359 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JQZLDQIEBYYBGY-IBGZPJMESA-N -1 3 402.498 3.929 20 0 HHADHM O=C(c1ccccc1[O-])N1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000436556897 981441727 /nfs/dbraw/zinc/44/17/27/981441727.db2.gz MSPJZVWYRRRPLH-CVEARBPZSA-N -1 3 419.308 3.787 20 0 HHADHM C[C@H]1CN(C)CCN1C(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436558925 981443168 /nfs/dbraw/zinc/44/31/68/981443168.db2.gz RQCKCJRGGBEHFX-LBPRGKRZSA-N -1 3 422.312 3.727 20 0 HHADHM COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)c1ccc(O)cc1[O-])CC2 ZINC000436558570 981443300 /nfs/dbraw/zinc/44/33/00/981443300.db2.gz QERGWEGQOQAFCH-QHCPKHFHSA-N -1 3 405.450 3.903 20 0 HHADHM Cc1ccc(C(=O)N2C[C@H](C)C[C@H](C)C2)cc1NC(=O)c1cc2c(cc1[O-])OCO2 ZINC000436560815 981444729 /nfs/dbraw/zinc/44/47/29/981444729.db2.gz DAICXYVHRYKAQN-OKILXGFUSA-N -1 3 410.470 3.800 20 0 HHADHM O=C(Nc1ccccc1OC1CCCC1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436563159 981446423 /nfs/dbraw/zinc/44/64/23/981446423.db2.gz MQDODNLLNBXCHR-UHFFFAOYSA-N -1 3 409.486 3.704 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCC[C@@H]1C1CCOCC1 ZINC000436563783 981447146 /nfs/dbraw/zinc/44/71/46/981447146.db2.gz QPEOWUJNQYJOGH-DHIUTWEWSA-N -1 3 422.525 3.671 20 0 HHADHM CNC(=O)c1ccc(OC)c(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])c1 ZINC000436565282 981447620 /nfs/dbraw/zinc/44/76/20/981447620.db2.gz UXDBNZVWSLXYHG-UHFFFAOYSA-N -1 3 404.466 3.798 20 0 HHADHM Cc1c(Cl)cc(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1Cl ZINC000436568359 981450245 /nfs/dbraw/zinc/45/02/45/981450245.db2.gz WYIYMRRGWNLKLS-UHFFFAOYSA-N -1 3 408.285 3.997 20 0 HHADHM CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)c2cc(CC)ccc2[O-])C1 ZINC000436577957 981456454 /nfs/dbraw/zinc/45/64/54/981456454.db2.gz WGEXLDWAZOZSQI-HNNXBMFYSA-N -1 3 400.441 3.608 20 0 HHADHM CS(=O)(=O)Cc1ccc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])cc1F ZINC000436584100 981460188 /nfs/dbraw/zinc/46/01/88/981460188.db2.gz IUUVWJCIRCLGBJ-UHFFFAOYSA-N -1 3 413.470 3.919 20 0 HHADHM Cc1ccc([C@H](NC(=O)c2ccccc2[O-])c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000436589669 981462569 /nfs/dbraw/zinc/46/25/69/981462569.db2.gz KYBOODUOIAAESS-JOCHJYFZSA-N -1 3 409.507 3.932 20 0 HHADHM Cc1ccc([C@@H](NC(=O)c2ccccc2[O-])c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000436589670 981462621 /nfs/dbraw/zinc/46/26/21/981462621.db2.gz KYBOODUOIAAESS-QFIPXVFZSA-N -1 3 409.507 3.932 20 0 HHADHM CCc1c(NC(=O)CCNC(=O)c2ccc(C)cc2[O-])cnn1-c1ccccc1C ZINC000436596100 981465495 /nfs/dbraw/zinc/46/54/95/981465495.db2.gz PHTOKIHCGKIEHU-UHFFFAOYSA-N -1 3 406.486 3.516 20 0 HHADHM COc1ccc(CN(CCO)C(=O)c2cc(Oc3ccccc3)ccc2[O-])c(OC)c1 ZINC000436599449 981467531 /nfs/dbraw/zinc/46/75/31/981467531.db2.gz BBWKEJZTWFMIIO-UHFFFAOYSA-N -1 3 423.465 3.836 20 0 HHADHM COC(=O)CCc1csc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])n1 ZINC000436600388 981467878 /nfs/dbraw/zinc/46/78/78/981467878.db2.gz HGRJIXCAHRMNMV-UHFFFAOYSA-N -1 3 412.467 3.786 20 0 HHADHM CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436609706 981472831 /nfs/dbraw/zinc/47/28/31/981472831.db2.gz VZZPQOSXNOPDQP-QGZVFWFLSA-N -1 3 407.297 3.962 20 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3.550 20 0 HHADHM CCO[C@H]1C[C@@H](NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])C1(CC)CC ZINC000436680347 981508943 /nfs/dbraw/zinc/50/89/43/981508943.db2.gz NZIUBMKABPZGNZ-MOPGFXCFSA-N -1 3 415.490 3.655 20 0 HHADHM CCO[C@@H]1C[C@H](NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])C1(CC)CC ZINC000436680349 981509060 /nfs/dbraw/zinc/50/90/60/981509060.db2.gz NZIUBMKABPZGNZ-RBUKOAKNSA-N -1 3 415.490 3.655 20 0 HHADHM C[C@@H](COc1ccc(C(C)(C)C)cc1)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436685131 981511637 /nfs/dbraw/zinc/51/16/37/981511637.db2.gz AGIVXPQIZMKRHH-UWJYYQICSA-N -1 3 424.541 3.878 20 0 HHADHM C[C@H](COc1ccc(C(C)(C)C)cc1)NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436685128 981511659 /nfs/dbraw/zinc/51/16/59/981511659.db2.gz AGIVXPQIZMKRHH-DYESRHJHSA-N -1 3 424.541 3.878 20 0 HHADHM Cc1ccc(C(=O)NCCc2nc(Cc3ccc(OC(F)(F)F)cc3)no2)c([O-])c1 ZINC000436692399 981516010 /nfs/dbraw/zinc/51/60/10/981516010.db2.gz XTSXOOCJXYNLAB-UHFFFAOYSA-N -1 3 421.375 3.546 20 0 HHADHM CC(C)C(=O)NC[C@H]1CCCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC000436694856 981517961 /nfs/dbraw/zinc/51/79/61/981517961.db2.gz DAWJQOZXUDOZNJ-OAQYLSRUSA-N -1 3 408.542 3.802 20 0 HHADHM CCCC(=O)NC[C@@H]1CCCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC000436698489 981519437 /nfs/dbraw/zinc/51/94/37/981519437.db2.gz OIBIYLCJNGZLID-NRFANRHFSA-N -1 3 408.542 3.946 20 0 HHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1cc2cc(Cl)sc2[nH]1 ZINC000436701039 981520468 /nfs/dbraw/zinc/52/04/68/981520468.db2.gz XWNSBBPEGIMVGM-UHFFFAOYSA-N -1 3 403.891 3.623 20 0 HHADHM O=C(c1ccccc1[O-])N1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)CC1 ZINC000436704164 981521273 /nfs/dbraw/zinc/52/12/73/981521273.db2.gz LBOWOMUSFOYUKD-UHFFFAOYSA-N -1 3 412.917 3.842 20 0 HHADHM COC(=O)C[C@@](C)(NC(=O)c1cc(Cc2ccccc2)ccc1[O-])c1ccccn1 ZINC000436706143 981522860 /nfs/dbraw/zinc/52/28/60/981522860.db2.gz UNJBVALXMQJAQN-XMMPIXPASA-N -1 3 404.466 3.586 20 0 HHADHM Cn1nnc2c1C[C@@H](C(=O)Nc1ccc([O-])c(-c3nc4ccccc4s3)c1)CC2 ZINC000436709424 981523519 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O=C(c1ccccc1[O-])N1CCN(C(=O)C2c3ccccc3Oc3ccccc32)CC1 ZINC000436782386 981559432 /nfs/dbraw/zinc/55/94/32/981559432.db2.gz YBKQDIUZLHQWTC-UHFFFAOYSA-N -1 3 414.461 3.614 20 0 HHADHM O=C(NCC1(c2ccc(Cl)cc2)CCC1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436787987 981561362 /nfs/dbraw/zinc/56/13/62/981561362.db2.gz AEMVVBORBSTILL-IBGZPJMESA-N -1 3 412.917 3.888 20 0 HHADHM Cc1ccc(-c2nnc([C@H](C)N3CCN(C(=O)c4ccccc4[O-])CC3)o2)cc1C ZINC000436792316 981563366 /nfs/dbraw/zinc/56/33/66/981563366.db2.gz NINQIONMPXIBIR-KRWDZBQOSA-N -1 3 406.486 3.578 20 0 HHADHM CN(Cc1cccc(Br)c1OC[C@H]1CCCO1)C(=O)c1ccccc1[O-] ZINC000436792454 981564169 /nfs/dbraw/zinc/56/41/69/981564169.db2.gz WFPVEJIBQGZCBJ-OAHLLOKOSA-N -1 3 420.303 3.985 20 0 HHADHM Cc1nc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)oc1-c1ccc(Cl)cc1 ZINC000436792866 981564384 /nfs/dbraw/zinc/56/43/84/981564384.db2.gz PAUCCNSPYLSAJC-UHFFFAOYSA-N -1 3 411.889 3.967 20 0 HHADHM CC(C)[C@H](NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(F)cc1F ZINC000436797440 981566948 /nfs/dbraw/zinc/56/69/48/981566948.db2.gz GBNWILZGLCPBPD-FQEVSTJZSA-N -1 3 417.456 3.535 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@H]1COc2ccc(F)cc21 ZINC000436806628 981570379 /nfs/dbraw/zinc/57/03/79/981570379.db2.gz IHPLHPGLAPUCAC-RTWAWAEBSA-N -1 3 420.440 3.642 20 0 HHADHM C[C@@H](NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1cccc(Cl)c1Cl ZINC000436817068 981574685 /nfs/dbraw/zinc/57/46/85/981574685.db2.gz QNSYBRBHQBOSTJ-CYBMUJFWSA-N -1 3 422.312 3.928 20 0 HHADHM CC(C)[C@H]1CN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCCO1 ZINC000436822904 981576477 /nfs/dbraw/zinc/57/64/77/981576477.db2.gz XUMXJVNSJVYKID-FGZHOGPDSA-N -1 3 410.514 3.527 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C)Cc2cccc3[nH]ccc32)c1 ZINC000436823922 981577128 /nfs/dbraw/zinc/57/71/28/981577128.db2.gz XVFHXDQCJBLRHD-UHFFFAOYSA-N -1 3 404.426 3.694 20 0 HHADHM CCc1ccc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c(O)c1 ZINC000436826525 981578449 /nfs/dbraw/zinc/57/84/49/981578449.db2.gz ALKHDWVCXSGPOQ-UHFFFAOYSA-N -1 3 402.878 3.805 20 0 HHADHM CCc1ccc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)c([O-])c1 ZINC000436826525 981578454 /nfs/dbraw/zinc/57/84/54/981578454.db2.gz ALKHDWVCXSGPOQ-UHFFFAOYSA-N -1 3 402.878 3.805 20 0 HHADHM C[C@H]1CN(Cc2csc(NC(=O)c3cc4c(cc3[O-])CCCC4)n2)C[C@H](C)O1 ZINC000436826774 981578559 /nfs/dbraw/zinc/57/85/59/981578559.db2.gz QBUMVQVSPGHSFE-KBPBESRZSA-N -1 3 401.532 3.589 20 0 HHADHM CN(CCc1ccccc1O)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436832788 981581494 /nfs/dbraw/zinc/58/14/94/981581494.db2.gz KJSLZAADBSYFBB-JOCHJYFZSA-N -1 3 418.493 3.660 20 0 HHADHM O=C(Nc1ccccc1)[C@H](c1ccccc1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436843928 981586114 /nfs/dbraw/zinc/58/61/14/981586114.db2.gz BQJXYMKTRZKCJV-QHCPKHFHSA-N -1 3 415.493 3.530 20 0 HHADHM COc1cccc(C(=O)Nc2nnc(-c3cccc(Br)c3)s2)c1[O-] ZINC000436845435 981587381 /nfs/dbraw/zinc/58/73/81/981587381.db2.gz SGMOTPMGJRJVBZ-UHFFFAOYSA-N -1 3 406.261 3.934 20 0 HHADHM O=C(Nc1ccc2oc(C(F)(F)F)nc2c1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436849704 981589545 /nfs/dbraw/zinc/58/95/45/981589545.db2.gz UXRYKMCPOBFVGT-AWEZNQCLSA-N -1 3 419.359 3.796 20 0 HHADHM CC(C)(c1ccc(NC(=O)NCCNC(=O)c2ccc([O-])cc2)cc1)C(F)(F)F ZINC000436857244 981594180 /nfs/dbraw/zinc/59/41/80/981594180.db2.gz PHLJJWIGPMTKIE-UHFFFAOYSA-N -1 3 409.408 3.784 20 0 HHADHM CC(C)(C)Oc1cc(F)ccc1NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436866685 981597085 /nfs/dbraw/zinc/59/70/85/981597085.db2.gz ZSJDZYMOLCHONL-UHFFFAOYSA-N -1 3 415.465 3.699 20 0 HHADHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1ccc(F)cc1-c1ccc(F)cc1 ZINC000436870567 981597884 /nfs/dbraw/zinc/59/78/84/981597884.db2.gz QDZSSUACCCJIHE-UHFFFAOYSA-N -1 3 411.408 3.889 20 0 HHADHM CCc1ccc(-c2nc(CC(=O)Nc3nc(-c4ccncc4)cs3)no2)c([O-])c1 ZINC000436876863 981599435 /nfs/dbraw/zinc/59/94/35/981599435.db2.gz LEXTWWGPTDXSJI-UHFFFAOYSA-N -1 3 407.455 3.704 20 0 HHADHM Cc1ccc(C(F)(F)F)cc1NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436885609 981601398 /nfs/dbraw/zinc/60/13/98/981601398.db2.gz HPKWEWCVNRMPOJ-UHFFFAOYSA-N -1 3 407.392 3.709 20 0 HHADHM CCSc1ccc(Cl)cc1C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436887687 981601812 /nfs/dbraw/zinc/60/18/12/981601812.db2.gz YBSKUAXCFQUKAT-UHFFFAOYSA-N -1 3 404.919 3.756 20 0 HHADHM CCc1ccc(-c2nc(CNC(=O)c3ccc(Br)cc3)no2)c([O-])c1 ZINC000436886809 981601873 /nfs/dbraw/zinc/60/18/73/981601873.db2.gz UDXXNBYLHAKQNU-UHFFFAOYSA-N -1 3 402.248 3.697 20 0 HHADHM CC(C)C[C@@H](C)n1nccc1NC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436888560 981602264 /nfs/dbraw/zinc/60/22/64/981602264.db2.gz NTCNHBVIXYZDIQ-MRXNPFEDSA-N -1 3 413.522 3.622 20 0 HHADHM Cc1cn([C@@H](C)c2ccccc2)nc1NC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000436890727 981602932 /nfs/dbraw/zinc/60/29/32/981602932.db2.gz DESQHEPVIRSOTL-KRWDZBQOSA-N -1 3 406.486 3.573 20 0 HHADHM O=C(Cc1noc(-c2cc3ccccc3cc2[O-])n1)Nc1ccc2c(c1)OCCO2 ZINC000436890398 981603099 /nfs/dbraw/zinc/60/30/99/981603099.db2.gz ZZSIZBMSIGZHOG-UHFFFAOYSA-N -1 3 403.394 3.548 20 0 HHADHM O=C(N[C@@H](CC1CCC1)c1ccccc1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436892504 981603407 /nfs/dbraw/zinc/60/34/07/981603407.db2.gz KAIBVHMVCPAZOJ-NRFANRHFSA-N -1 3 407.514 3.791 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1cccc2c1CCO2 ZINC000436899445 981606642 /nfs/dbraw/zinc/60/66/42/981606642.db2.gz DECORGWDDUXOHO-NRFANRHFSA-N -1 3 402.450 3.827 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCCc1ccccc1F ZINC000436902126 981608464 /nfs/dbraw/zinc/60/84/64/981608464.db2.gz IZASHKPIMVWEOQ-JOCHJYFZSA-N -1 3 406.457 3.751 20 0 HHADHM C[C@H]1CCN(C)CCN1C(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1[O-] ZINC000436905015 981610871 /nfs/dbraw/zinc/61/08/71/981610871.db2.gz RRJSIWKECVAROR-LBPRGKRZSA-N -1 3 407.923 3.526 20 0 HHADHM O=C(c1cc2c(cc(Cl)cc2Cl)[nH]1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436905048 981610986 /nfs/dbraw/zinc/61/09/86/981610986.db2.gz YIMCVCVDVWAGOT-UHFFFAOYSA-N -1 3 418.280 3.779 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1nnc(C(F)F)s1 ZINC000436908209 981613698 /nfs/dbraw/zinc/61/36/98/981613698.db2.gz USZNPBNFMZYFPY-AWEZNQCLSA-N -1 3 418.425 3.681 20 0 HHADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000436909203 981614546 /nfs/dbraw/zinc/61/45/46/981614546.db2.gz XXTOTUQCZKSNJC-LAUBAEHRSA-N -1 3 410.489 3.932 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCc1cc(F)cc(F)c1 ZINC000436911864 981617608 /nfs/dbraw/zinc/61/76/08/981617608.db2.gz RRXKOLSRKBGJRD-NRFANRHFSA-N -1 3 410.420 3.848 20 0 HHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCc1ccc(F)cc1F ZINC000436912194 981617701 /nfs/dbraw/zinc/61/77/01/981617701.db2.gz GVEXXGGSESJOKP-NRFANRHFSA-N -1 3 410.420 3.848 20 0 HHADHM CO[C@H](CNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1ccccc1 ZINC000436912788 981618447 /nfs/dbraw/zinc/61/84/47/981618447.db2.gz IGZSDXQDPWEVEZ-XZOQPEGZSA-N -1 3 418.493 3.757 20 0 HHADHM O=C(Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)[C@H]1CCCN1Cc1ccc(F)cc1 ZINC000436914959 981620283 /nfs/dbraw/zinc/62/02/83/981620283.db2.gz LWJZNGYHPDBLGS-MRXNPFEDSA-N -1 3 415.856 3.573 20 0 HHADHM O=C(Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)[C@H]1CCCN1Cc1ccc(F)cc1 ZINC000436914959 981620289 /nfs/dbraw/zinc/62/02/89/981620289.db2.gz LWJZNGYHPDBLGS-MRXNPFEDSA-N -1 3 415.856 3.573 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1ccc2n[nH]cc2c1 ZINC000436915679 981621409 /nfs/dbraw/zinc/62/14/09/981621409.db2.gz RURTZMXEINULRK-OAQYLSRUSA-N -1 3 400.438 3.768 20 0 HHADHM [O-]c1cc2c(cc1-c1nc(Cc3cn4cc(Cl)cc(Cl)c4n3)no1)OCO2 ZINC000436917547 981622844 /nfs/dbraw/zinc/62/28/44/981622844.db2.gz BMIJGJSSMKBQNX-UHFFFAOYSA-N -1 3 405.197 3.716 20 0 HHADHM COC[C@H](NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1ccccc1 ZINC000436920569 981624523 /nfs/dbraw/zinc/62/45/23/981624523.db2.gz HDAXRPLQMJRPKX-GOTSBHOMSA-N -1 3 418.493 3.757 20 0 HHADHM [O-]c1ccc(OCc2ccccc2)cc1-c1nc(-c2cccnc2-n2cncn2)no1 ZINC000436922370 981626326 /nfs/dbraw/zinc/62/63/26/981626326.db2.gz XKFAFESBKZEDJR-UHFFFAOYSA-N -1 3 412.409 3.664 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCCc2occc2C1 ZINC000436924879 981627803 /nfs/dbraw/zinc/62/78/03/981627803.db2.gz HAYDTEYCMQKAAQ-OAQYLSRUSA-N -1 3 404.466 3.821 20 0 HHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NC[C@H]1COc2ccccc21 ZINC000436926748 981628692 /nfs/dbraw/zinc/62/86/92/981628692.db2.gz MVCHIARATUQYPH-SIKLNZKXSA-N -1 3 416.477 3.546 20 0 HHADHM CN1CCN(c2ccccc2-c2noc(-c3ccc(Br)cc3[O-])n2)CC1 ZINC000436930291 981630315 /nfs/dbraw/zinc/63/03/15/981630315.db2.gz WOLFTJBCPLDLPN-UHFFFAOYSA-N -1 3 415.291 3.624 20 0 HHADHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1cc(Cl)ccc1C(F)(F)F ZINC000436945850 981637806 /nfs/dbraw/zinc/63/78/06/981637806.db2.gz VOOGVPMHPDFWLC-UHFFFAOYSA-N -1 3 401.772 3.616 20 0 HHADHM CC[C@@H](C)c1ccccc1OCC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436950546 981640639 /nfs/dbraw/zinc/64/06/39/981640639.db2.gz ZSTLXICEBQISQK-QGZVFWFLSA-N -1 3 410.514 3.706 20 0 HHADHM CC1(C)Cc2ccc(-c3nc(Cc4cc(Br)c[nH]c4=O)no3)c([O-])c2O1 ZINC000436950449 981640794 /nfs/dbraw/zinc/64/07/94/981640794.db2.gz VXNFDAVTZFJNKR-UHFFFAOYSA-N -1 3 418.247 3.610 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)COc2c(C)cccc2C)c1 ZINC000436950819 981641545 /nfs/dbraw/zinc/64/15/45/981641545.db2.gz DFMFLFCRTGCFAW-OAHLLOKOSA-N -1 3 423.469 3.755 20 0 HHADHM Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)c1ccc(C)cc1[O-] ZINC000436953120 981643004 /nfs/dbraw/zinc/64/30/04/981643004.db2.gz LZPMYEMBPFMPGA-NRFANRHFSA-N -1 3 405.498 3.776 20 0 HHADHM C[C@@H]1CN(c2ccc(CNC(=O)c3cc(Oc4ccccc4)ccc3[O-])cn2)CCO1 ZINC000436954739 981644270 /nfs/dbraw/zinc/64/42/70/981644270.db2.gz XHKVXPDRWKQVHU-QGZVFWFLSA-N -1 3 419.481 3.735 20 0 HHADHM O=C(NCC[C@@H](c1ccccc1)C(F)(F)F)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436955376 981644958 /nfs/dbraw/zinc/64/49/58/981644958.db2.gz KJUOYICEVWYQHK-ZWKOTPCHSA-N -1 3 420.431 3.849 20 0 HHADHM CCOc1cc(-c2noc([C@H]3CCCc4nccn43)n2)cc(Br)c1[O-] ZINC000436957037 981645867 /nfs/dbraw/zinc/64/58/67/981645867.db2.gz RBSWATMIKVQRIO-GFCCVEGCSA-N -1 3 405.252 3.726 20 0 HHADHM [O-]c1ccc(OCc2ccccc2)cc1-c1nc([C@H]2CN3CCCC[C@@H]3CO2)no1 ZINC000436957477 981646643 /nfs/dbraw/zinc/64/66/43/981646643.db2.gz VNHQOGQANCGYLM-DYESRHJHSA-N -1 3 407.470 3.947 20 0 HHADHM COCCN(C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-])[C@@H](C)c1ccccc1 ZINC000436957435 981646741 /nfs/dbraw/zinc/64/67/41/981646741.db2.gz URMGOQCNMYGUKP-HNNXBMFYSA-N -1 3 423.469 3.791 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H](c3ccccc3C)C2)c1 ZINC000436959165 981648122 /nfs/dbraw/zinc/64/81/22/981648122.db2.gz GMAXOOMDXUNFDO-MRXNPFEDSA-N -1 3 405.454 3.879 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2C[C@@H](c3ccccc3)C[C@@H]2C)c1 ZINC000436964686 981651931 /nfs/dbraw/zinc/65/19/31/981651931.db2.gz MWFAHIGFMVTZLK-YOEHRIQHSA-N -1 3 405.454 3.959 20 0 HHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2c3ccccc3CC[C@@H]2C)c1 ZINC000436970369 981656393 /nfs/dbraw/zinc/65/63/93/981656393.db2.gz DERLUZFTKFDQEI-ZSEKCTLFSA-N -1 3 405.454 3.994 20 0 HHADHM CCNc1ccc(Cl)cc1C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436972753 981658621 /nfs/dbraw/zinc/65/86/21/981658621.db2.gz QMQQXVDBRYKYGW-UHFFFAOYSA-N -1 3 401.894 3.512 20 0 HHADHM CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000436974688 981659385 /nfs/dbraw/zinc/65/93/85/981659385.db2.gz AQYAPJFCPWHOCZ-RTBURBONSA-N -1 3 415.490 3.607 20 0 HHADHM CCOc1cc(C)ccc1CNC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000436977149 981662133 /nfs/dbraw/zinc/66/21/33/981662133.db2.gz QPLOHUKGYLNVDH-UHFFFAOYSA-N -1 3 409.442 3.578 20 0 HHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N(Cc3cccnc3)C(C)C)cs2)c1 ZINC000436978524 981662834 /nfs/dbraw/zinc/66/28/34/981662834.db2.gz VRPINYBPXYHTAG-UHFFFAOYSA-N -1 3 424.526 3.784 20 0 HHADHM CCOC1CC(CCNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000436983656 981666553 /nfs/dbraw/zinc/66/65/53/981666553.db2.gz KQQIOKOEYLQVHY-JHJOLFGTSA-N -1 3 410.514 3.575 20 0 HHADHM C[C@H](CC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1cccc(C(F)(F)F)c1 ZINC000436986496 981669307 /nfs/dbraw/zinc/66/93/07/981669307.db2.gz GHDOQKQTZNSPDH-OAHLLOKOSA-N -1 3 420.431 3.889 20 0 HHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCCNC(=O)[C@H]1Cc1ccccc1 ZINC000436996147 981675238 /nfs/dbraw/zinc/67/52/38/981675238.db2.gz BHMCMEFQWJPFKI-JOCHJYFZSA-N -1 3 416.477 3.758 20 0 HHADHM O=C(Nc1ccc(Oc2ccncc2)cc1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000437000185 981677470 /nfs/dbraw/zinc/67/74/70/981677470.db2.gz ODFNAVOFTSJWPM-FQEVSTJZSA-N -1 3 403.438 3.823 20 0 HHADHM O=C(Nc1ccc(-c2nccs2)cc1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000437000558 981677536 /nfs/dbraw/zinc/67/75/36/981677536.db2.gz INHGFWGZZZPGSF-UHFFFAOYSA-N -1 3 408.483 3.506 20 0 HHADHM C[C@](O)(CNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C1CCCCC1 ZINC000436999958 981677551 /nfs/dbraw/zinc/67/75/51/981677551.db2.gz GQAKKAKYAGPCFZ-RDGATRHJSA-N -1 3 424.541 3.701 20 0 HHADHM CC[C@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)CCS1 ZINC000437074793 981746553 /nfs/dbraw/zinc/74/65/53/981746553.db2.gz HUCGLLHUYRRJCO-HNNXBMFYSA-N -1 3 408.520 3.594 20 0 HHADHM CC(C)[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)CCS1 ZINC000437203842 981861443 /nfs/dbraw/zinc/86/14/43/981861443.db2.gz VWZVBJFAGVXEKM-IBGZPJMESA-N -1 3 422.547 3.840 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)C3=C(C)CCC3)c2)cc1 ZINC000437366910 982013804 /nfs/dbraw/zinc/01/38/04/982013804.db2.gz YJHYKMVFWDPDSE-UHFFFAOYSA-N -1 3 400.500 3.613 20 0 HHADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(Cc3nnc4ccccn43)cc2)cc1 ZINC000437403153 982047550 /nfs/dbraw/zinc/04/75/50/982047550.db2.gz FOSYCXNTSUYYDH-UHFFFAOYSA-N -1 3 422.510 3.910 20 0 HHADHM C[C@H](NC(=O)NCc1ccc([O-])c(F)c1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000437418432 982059668 /nfs/dbraw/zinc/05/96/68/982059668.db2.gz KVDLPQKAEVUYDC-YCRPNKLZSA-N -1 3 402.466 3.656 20 0 HHADHM CCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)CCOc2ccc(F)cc2)c1 ZINC000460425369 982213478 /nfs/dbraw/zinc/21/34/78/982213478.db2.gz WYOFZJNDEQNQCC-UHFFFAOYSA-N -1 3 400.859 3.648 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@H](O)C3CCCCC3)cc2)cc1 ZINC000437640966 982259894 /nfs/dbraw/zinc/25/98/94/982259894.db2.gz IXLAVEWDFRYLDH-HXUWFJFHSA-N -1 3 402.516 3.676 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccnc(N4CC[C@@H](C)C4)c3)c2)n1 ZINC000437677252 982291844 /nfs/dbraw/zinc/29/18/44/982291844.db2.gz LUMCPGAVQNNIGR-OAHLLOKOSA-N -1 3 403.486 3.905 20 0 HHADHM CCc1ccnc(CNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC000437727772 982321722 /nfs/dbraw/zinc/32/17/22/982321722.db2.gz CPWKCRDYUVFSDK-JOCHJYFZSA-N -1 3 403.482 3.527 20 0 HHADHM Cc1nc2sccn2c1CN(C)C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000437938196 982472954 /nfs/dbraw/zinc/47/29/54/982472954.db2.gz HGDYIGLEIMYHII-UHFFFAOYSA-N -1 3 408.487 3.839 20 0 HHADHM CC[C@H](SC)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000437949778 982481524 /nfs/dbraw/zinc/48/15/24/982481524.db2.gz CWDOLMFEJSDPJQ-KRWDZBQOSA-N -1 3 408.545 3.885 20 0 HHADHM CCOc1cccc2[nH]cc(CC(=O)NCc3ccc([O-])c(Br)c3)c21 ZINC000438133808 982605011 /nfs/dbraw/zinc/60/50/11/982605011.db2.gz WERARJATLJNMAQ-UHFFFAOYSA-N -1 3 403.276 3.894 20 0 HHADHM O=C(CCNc1ncc(C(F)(F)F)cc1Cl)Nc1n[n-]c(-c2ccco2)n1 ZINC000460877956 982618451 /nfs/dbraw/zinc/61/84/51/982618451.db2.gz FFTIQAAXBBFTEO-UHFFFAOYSA-N -1 3 400.748 3.573 20 0 HHADHM C[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000438231905 982668850 /nfs/dbraw/zinc/66/88/50/982668850.db2.gz CPOAGPBZWLLQGW-QMHKHESXSA-N -1 3 406.482 3.583 20 0 HHADHM CCc1ncc(S(=O)(=O)[N-]Cc2cccc(Cn3cnc4ccccc43)c2)s1 ZINC000460942870 982679942 /nfs/dbraw/zinc/67/99/42/982679942.db2.gz FSABVXAGPNDTCH-UHFFFAOYSA-N -1 3 412.540 3.582 20 0 HHADHM COC(=O)c1ccccc1-c1ccc(C[N-]c2nnc([C@@H]3Cc4ccccc4O3)o2)o1 ZINC000438248258 982680179 /nfs/dbraw/zinc/68/01/79/982680179.db2.gz NZCACXDZVFAEIT-FQEVSTJZSA-N -1 3 417.421 4.405 20 0 HHADHM CCc1ncc(S(=O)(=O)[N-]Cc2ccccc2COCc2ccccc2)s1 ZINC000460965576 982695663 /nfs/dbraw/zinc/69/56/63/982695663.db2.gz SEQUHKXZTMBWNE-UHFFFAOYSA-N -1 3 402.541 3.901 20 0 HHADHM 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ZINC000443333471 985501360 /nfs/dbraw/zinc/50/13/60/985501360.db2.gz KIINJXHHJHQCCS-UHFFFAOYSA-N -1 3 422.553 3.811 20 0 HHADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@@H](c1ccc(C(F)(F)F)cc1)C(C)C ZINC000443384412 985542757 /nfs/dbraw/zinc/54/27/57/985542757.db2.gz IRMTZSPHXUZPNF-CYBMUJFWSA-N -1 3 422.450 3.624 20 0 HHADHM COc1ccc(O[C@@H](C)C[N-]S(=O)(=O)c2sc(C)cc2Br)cc1 ZINC000462600813 985546040 /nfs/dbraw/zinc/54/60/40/985546040.db2.gz GASLMWLJIRFVGJ-JTQLQIEISA-N -1 3 420.350 3.573 20 0 HHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C[C@H](C)Sc2ccccc2)cc1Cl ZINC000462603030 985547740 /nfs/dbraw/zinc/54/77/40/985547740.db2.gz NRUINBOFFIPXLH-NSHDSACASA-N -1 3 416.927 3.897 20 0 HHADHM COC(=O)COc1ccc([N-]S(=O)(=O)c2ccc(OC)cc2C)c2ccccc12 ZINC000467926804 985560069 /nfs/dbraw/zinc/56/00/69/985560069.db2.gz KJKUMVXAALGOEC-UHFFFAOYSA-N -1 3 415.467 3.509 20 0 HHADHM O=S(=O)([N-]c1ccc(OCC(F)(F)F)c(F)c1)c1ccc2c(c1)CCCO2 ZINC000443416699 985573793 /nfs/dbraw/zinc/57/37/93/985573793.db2.gz 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Cc1cc(S(=O)(=O)[N-]Cc2cc(=O)[nH]c3ccccc23)sc1Br ZINC000443460558 985633522 /nfs/dbraw/zinc/63/35/22/985633522.db2.gz ABSCAOQSVCERFZ-UHFFFAOYSA-N -1 3 413.318 3.551 20 0 HHADHM COC(=O)[C@H](C[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl)c1ccccc1 ZINC000462697630 985639074 /nfs/dbraw/zinc/63/90/74/985639074.db2.gz BCHFQYPUFLIJMH-CYBMUJFWSA-N -1 3 402.299 3.537 20 0 HHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2C[C@@H](C)N(c3ccccc3)C2=O)c1Cl ZINC000462699305 985641034 /nfs/dbraw/zinc/64/10/34/985641034.db2.gz HHPXUUMRWCMXHB-IUODEOHRSA-N -1 3 413.326 3.774 20 0 HHADHM O=S(=O)([N-]CCc1ccn(-c2ccc(F)cc2)n1)c1cc(Cl)ccc1Cl ZINC000462706977 985651101 /nfs/dbraw/zinc/65/11/01/985651101.db2.gz QHMKSLJJMIQYPH-UHFFFAOYSA-N -1 3 414.289 3.839 20 0 HHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@H](C)Oc2ccccc2F)s1 ZINC000462707417 985651400 /nfs/dbraw/zinc/65/14/00/985651400.db2.gz YPGYMEFNSJZUCI-VIFPVBQESA-N -1 3 408.314 3.704 20 0 HHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCCC[C@@H]1Oc1ccccc1C ZINC000443502643 985674990 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KCTFHTRSXLPPNZ-QMHKHESXSA-N -1 3 416.525 3.903 20 0 HHADHM CCC[C@H](NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O)c1ccc(F)cc1F ZINC000468359784 986057960 /nfs/dbraw/zinc/05/79/60/986057960.db2.gz FAGYATGNXOVNEW-IBGZPJMESA-N -1 3 412.440 3.619 20 0 HHADHM CC(=O)Nc1cccc(NC(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)c1C ZINC000443881917 986082252 /nfs/dbraw/zinc/08/22/52/986082252.db2.gz IVVFSPYADHYWKO-UHFFFAOYSA-N -1 3 419.359 3.946 20 0 HHADHM CCOc1ccc(CN2CCN(C(=O)CCCc3ccc([O-])c(F)c3)CC2)cc1 ZINC000468400173 986099341 /nfs/dbraw/zinc/09/93/41/986099341.db2.gz VRLUEXGPQWJUCO-UHFFFAOYSA-N -1 3 400.494 3.597 20 0 HHADHM CC[C@H](C(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2cccs2)c1)N(CC)CC ZINC000468404897 986103476 /nfs/dbraw/zinc/10/34/76/986103476.db2.gz GFXRQLJDSZOQDW-MRXNPFEDSA-N -1 3 413.540 3.747 20 0 HHADHM Cn1cc(-c2nc(C(=O)[N-]c3n[nH]c(-c4cc(Cl)ccc4Cl)n3)cs2)cn1 ZINC000463166672 986138533 /nfs/dbraw/zinc/13/85/33/986138533.db2.gz ZJJPBYSBTHLKIR-UHFFFAOYSA-N -1 3 420.285 3.888 20 0 HHADHM COc1ccc(C2([N-]S(=O)(=O)c3ccccc3SC)CCOCC2)cc1F ZINC000443988497 986189806 /nfs/dbraw/zinc/18/98/06/986189806.db2.gz ZYRNWHHQWXHRMU-UHFFFAOYSA-N -1 3 411.520 3.540 20 0 HHADHM O=S(=O)([N-]c1cccc(CN2CCSCC2)c1)c1ccc2ncsc2c1 ZINC000444030565 986226043 /nfs/dbraw/zinc/22/60/43/986226043.db2.gz KNTGVAGTYXWXTQ-UHFFFAOYSA-N -1 3 405.570 3.646 20 0 HHADHM O=S(=O)([N-]c1cccc(CN2CCCCC2)c1)c1cncc(Br)c1 ZINC000444030671 986226656 /nfs/dbraw/zinc/22/66/56/986226656.db2.gz FYPYNGMKEDXHOO-UHFFFAOYSA-N -1 3 410.337 3.631 20 0 HHADHM COc1c(C)cc(S(=O)(=O)[N-]c2cccc(CN3CCSCC3)c2C)cc1C ZINC000444033075 986229258 /nfs/dbraw/zinc/22/92/58/986229258.db2.gz DYXYVTKVQUWUFX-UHFFFAOYSA-N -1 3 420.600 3.970 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@]2(C)CCc3ccccc3C2)cc1OC ZINC000463284306 986251531 /nfs/dbraw/zinc/25/15/31/986251531.db2.gz QHQQGDYIFONXGJ-OAQYLSRUSA-N -1 3 402.516 3.591 20 0 HHADHM COC(=O)c1sccc1[N-]C(=O)c1ccc(S(=O)(=O)c2ccccc2)s1 ZINC000468548588 986255336 /nfs/dbraw/zinc/25/53/36/986255336.db2.gz QLXMYZHKBOWZAQ-UHFFFAOYSA-N -1 3 407.494 3.681 20 0 HHADHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccccc1SC)c1ccc(SC)cc1 ZINC000444086911 986286753 /nfs/dbraw/zinc/28/67/53/986286753.db2.gz GPDJVQGZBWACCU-OAHLLOKOSA-N -1 3 411.570 3.713 20 0 HHADHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(-n2cccc2)cc1)c1nc(-c2ccncc2)no1 ZINC000463345495 986312770 /nfs/dbraw/zinc/31/27/70/986312770.db2.gz QEZSDRGXGISDOA-LJQANCHMSA-N -1 3 423.498 3.598 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000468605870 986319669 /nfs/dbraw/zinc/31/96/69/986319669.db2.gz LUELQHYELLLRSN-UHFFFAOYSA-N -1 3 418.896 3.882 20 0 HHADHM Cc1csc(C(=O)[N-]c2nnc(C(F)(F)F)s2)c1I ZINC000468633584 986350425 /nfs/dbraw/zinc/35/04/25/986350425.db2.gz YDQUFKLQXCXIQW-UHFFFAOYSA-N -1 3 419.191 3.784 20 0 HHADHM O=S(=O)([N-]C[C@]1(O)CCC[C@H](C(F)(F)F)C1)c1c(Cl)cccc1Cl ZINC000444219227 986402867 /nfs/dbraw/zinc/40/28/67/986402867.db2.gz HPBGWFHZECPKIR-ZANVPECISA-N -1 3 406.253 3.755 20 0 HHADHM O=S(=O)([N-]C[C@]1(O)CCC[C@@H](C(F)(F)F)C1)c1csc(-c2ccccc2)n1 ZINC000444229839 986416719 /nfs/dbraw/zinc/41/67/19/986416719.db2.gz XZYPXCUBQZVYTE-CJNGLKHVSA-N -1 3 420.478 3.572 20 0 HHADHM O=C(Nc1ccc([N-]S(=O)(=O)C[C@@H]2CCCO2)cc1F)c1cccc(Cl)c1 ZINC000463441152 986419133 /nfs/dbraw/zinc/41/91/33/986419133.db2.gz BHWMOWNIHUSDOA-HNNXBMFYSA-N -1 3 412.870 3.652 20 0 HHADHM COc1ccc(CC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c(F)c1 ZINC000444232593 986419927 /nfs/dbraw/zinc/41/99/27/986419927.db2.gz RGAIZIXNLRSHKD-UHFFFAOYSA-N -1 3 420.868 3.613 20 0 HHADHM Cc1cc(C)cc(-c2nnc([N-]C(=O)c3cn(Cc4cccc(F)c4)nn3)s2)c1 ZINC000468774069 986485886 /nfs/dbraw/zinc/48/58/86/986485886.db2.gz AUWWZZMKGPXUED-UHFFFAOYSA-N -1 3 408.462 3.853 20 0 HHADHM O=C(c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)N1CCO[C@@H](c2ccsc2)C1 ZINC000444301184 986486338 /nfs/dbraw/zinc/48/63/38/986486338.db2.gz LEFRLNNEPMJVQS-OAHLLOKOSA-N -1 3 424.400 3.702 20 0 HHADHM COc1ccc(N(C)C(=O)c2c[n-]c3ccc(Br)cc3c2=O)cc1F ZINC000444301160 986486364 /nfs/dbraw/zinc/48/63/64/986486364.db2.gz CTKUYEONQNXEMF-UHFFFAOYSA-N -1 3 405.223 3.715 20 0 HHADHM Cn1ncc2c1ncc(C(=O)N1CCC[C@@H]1c1cc(F)cc(Br)c1)c2[O-] ZINC000468794933 986504341 /nfs/dbraw/zinc/50/43/41/986504341.db2.gz CGGAYUZTDKJIPX-OAHLLOKOSA-N -1 3 419.254 3.553 20 0 HHADHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2cc3cc(Br)ccc3[nH]2)c1 ZINC000468886742 986594182 /nfs/dbraw/zinc/59/41/82/986594182.db2.gz HOUDFFNJJFWQNT-UHFFFAOYSA-N -1 3 402.248 3.524 20 0 HHADHM COc1cc(OC)cc(N(C)C(=O)c2c[n-]c3ccc(Br)cc3c2=O)c1 ZINC000444414842 986595730 /nfs/dbraw/zinc/59/57/30/986595730.db2.gz RQHRODXYQWTIEE-UHFFFAOYSA-N -1 3 417.259 3.584 20 0 HHADHM Cc1ccc(C[N-]S(=O)(=O)c2c(F)cccc2Cl)c(-n2cc(Cl)cn2)n1 ZINC000468921922 986627952 /nfs/dbraw/zinc/62/79/52/986627952.db2.gz JUSQSJPWSMQKJJ-UHFFFAOYSA-N -1 3 415.277 3.500 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CC[C@@H](C(F)(F)F)C2(C)C)cc1OC ZINC000468959305 986663299 /nfs/dbraw/zinc/66/32/99/986663299.db2.gz NYRNURPZLAEINU-CQSZACIVSA-N -1 3 423.457 3.652 20 0 HHADHM CC[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000468961894 986665170 /nfs/dbraw/zinc/66/51/70/986665170.db2.gz LQAGZJBRVBDWQF-FYYLOGMGSA-N -1 3 414.521 3.650 20 0 HHADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000468980434 986685613 /nfs/dbraw/zinc/68/56/13/986685613.db2.gz NOFGWRDMIOOLBL-QGZVFWFLSA-N -1 3 408.832 3.568 20 0 HHADHM CC[C@@H](c1nnc([N-]C(=O)c2cn(CC(=O)C(C)(C)C)nn2)s1)c1ccccc1 ZINC000469199800 986923986 /nfs/dbraw/zinc/92/39/86/986923986.db2.gz IQDHOLJBEVCUKH-CQSZACIVSA-N -1 3 412.519 3.539 20 0 HHADHM CCOC(=O)c1nc(C2CCN(C(=O)N[C@H](C)CCC3CCCCC3)CC2)n[n-]1 ZINC000444960588 987095584 /nfs/dbraw/zinc/09/55/84/987095584.db2.gz XNCWVVREIUQBJV-OAHLLOKOSA-N -1 3 405.543 3.619 20 0 HHADHM CCOC(=O)c1nnc(C2CCN(C(=O)N[C@H](C)CCC3CCCCC3)CC2)[n-]1 ZINC000444960588 987095589 /nfs/dbraw/zinc/09/55/89/987095589.db2.gz XNCWVVREIUQBJV-OAHLLOKOSA-N -1 3 405.543 3.619 20 0 HHADHM COC(=O)CCN(Cc1cccc(F)c1F)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000469407998 987100706 /nfs/dbraw/zinc/10/07/06/987100706.db2.gz MKIGFPSAIRZSEW-UHFFFAOYSA-N -1 3 409.404 3.724 20 0 HHADHM CN(C)[C@H](C[N-]S(=O)(=O)c1cccc(F)c1F)c1cccc(C(F)(F)F)c1 ZINC000469410492 987102198 /nfs/dbraw/zinc/10/21/98/987102198.db2.gz SARBYUAMGGFAHS-CQSZACIVSA-N -1 3 408.392 3.565 20 0 HHADHM CCO[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1Br)c1ccccc1 ZINC000444984001 987113547 /nfs/dbraw/zinc/11/35/47/987113547.db2.gz CRDFAXKFERRYRC-OAHLLOKOSA-N -1 3 402.285 3.644 20 0 HHADHM Cc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3cnc4ccccc4c3)n2)cc1F ZINC000445042148 987171236 /nfs/dbraw/zinc/17/12/36/987171236.db2.gz QCLRPTPSWRWYRC-CYBMUJFWSA-N -1 3 412.446 3.772 20 0 HHADHM COC(=O)[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccc(OC)c(Cl)c1 ZINC000469636378 987295515 /nfs/dbraw/zinc/29/55/15/987295515.db2.gz YAFVRBRAEPAZLW-LJQANCHMSA-N -1 3 409.841 3.547 20 0 HHADHM CCOC(=O)c1nc(C2CCN(C(=O)Nc3ccc(O[C@@H](C)CC)cc3)CC2)n[n-]1 ZINC000445236746 987296497 /nfs/dbraw/zinc/29/64/97/987296497.db2.gz HNTHVTAESRDNGJ-AWEZNQCLSA-N -1 3 415.494 3.570 20 0 HHADHM CCOC(=O)c1nnc(C2CCN(C(=O)Nc3ccc(O[C@@H](C)CC)cc3)CC2)[n-]1 ZINC000445236746 987296504 /nfs/dbraw/zinc/29/65/04/987296504.db2.gz HNTHVTAESRDNGJ-AWEZNQCLSA-N -1 3 415.494 3.570 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N(C)[C@@H](C)Cc2ccccc2C)cc1OC ZINC000445239024 987298804 /nfs/dbraw/zinc/29/88/04/987298804.db2.gz LZDULFANWPPDAE-INIZCTEOSA-N -1 3 419.547 3.860 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N3CCC[C@H](CC(C)C)C3)c2)n1 ZINC000469660007 987317509 /nfs/dbraw/zinc/31/75/09/987317509.db2.gz IQWLDESSBHWPSH-MRXNPFEDSA-N -1 3 410.518 3.635 20 0 HHADHM CC1(C)Cc2ccc(-c3nc(CC(=O)Nc4cccc5ncccc54)no3)c([O-])c2O1 ZINC000445306514 987362779 /nfs/dbraw/zinc/36/27/79/987362779.db2.gz YIRBQAHRDNCWKW-UHFFFAOYSA-N -1 3 416.437 3.885 20 0 HHADHM Cc1cc(=O)[n-]c([C@H](C)Sc2nnc(CN3CCCC3)n2Cc2ccccc2)n1 ZINC000469806027 987446310 /nfs/dbraw/zinc/44/63/10/987446310.db2.gz IFLCWYJGPYJRAU-INIZCTEOSA-N -1 3 410.547 3.580 20 0 HHADHM CO[C@H]1CN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)ccc2C)CC[C@H]1C ZINC000469876315 987514559 /nfs/dbraw/zinc/51/45/59/987514559.db2.gz SOQQDESOPKLNPO-UTKZUKDTSA-N -1 3 416.543 3.601 20 0 HHADHM CC(C)[N-]S(=O)(=O)c1cc(-c2nc(-c3ccc(Cl)s3)no2)ccc1F ZINC000445560617 987620506 /nfs/dbraw/zinc/62/05/06/987620506.db2.gz ZALQEYQQYOLUNS-UHFFFAOYSA-N -1 3 401.872 3.944 20 0 HHADHM CC(C)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000445699739 987766064 /nfs/dbraw/zinc/76/60/64/987766064.db2.gz NNXFETCSSIVFMU-NSHDSACASA-N -1 3 416.259 3.639 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](CC(C)C)N3CCCCC3=O)c2)n1 ZINC000445827016 987896131 /nfs/dbraw/zinc/89/61/31/987896131.db2.gz ZFHKKGRNAMJCJR-LJQANCHMSA-N -1 3 410.518 3.777 20 0 HHADHM Cc1nc(C)c(CCC(=O)NCC(Cc2ccccc2)Cc2ccccc2)c(=O)[n-]1 ZINC000463906540 988015042 /nfs/dbraw/zinc/01/50/42/988015042.db2.gz LMSXRQPISZINQP-UHFFFAOYSA-N -1 3 403.526 3.949 20 0 HHADHM O=C([N-]c1nnc(Cc2cccc(Cl)c2)s1)c1cn(Cc2cccs2)nn1 ZINC000464323880 988458300 /nfs/dbraw/zinc/45/83/00/988458300.db2.gz ZXPDJOZMEPAURH-UHFFFAOYSA-N -1 3 416.919 3.736 20 0 HHADHM COc1cc(Br)c(S(=O)(=O)[N-][C@H](C)CC(F)(F)F)cc1Cl ZINC000464366131 988525267 /nfs/dbraw/zinc/52/52/67/988525267.db2.gz ZDJKPKBCQIYZKO-ZCFIWIBFSA-N -1 3 410.639 3.730 20 0 HHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]Cc1cccc(C(=O)NC2CC2)c1 ZINC000470598888 988614951 /nfs/dbraw/zinc/61/49/51/988614951.db2.gz HAXIZQLDIGFEBL-UHFFFAOYSA-N -1 3 418.902 3.765 20 0 HHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C1CCN(Cc2ccncc2)CC1 ZINC000470609781 988628532 /nfs/dbraw/zinc/62/85/32/988628532.db2.gz CTFVNCBKQZFFBC-UHFFFAOYSA-N -1 3 419.934 3.733 20 0 HHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CCCNC(=O)c1cccs1 ZINC000470612199 988630220 /nfs/dbraw/zinc/63/02/20/988630220.db2.gz QSFBNLDJZKXBMJ-UHFFFAOYSA-N -1 3 412.920 3.555 20 0 HHADHM Cn1nc(C(=O)[N-]c2c3ccccc3oc2C(=O)c2ccco2)cc1OC(F)F ZINC000464548348 988725625 /nfs/dbraw/zinc/72/56/25/988725625.db2.gz ADGNZGXIAIKVSD-UHFFFAOYSA-N -1 3 401.325 3.844 20 0 HHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H](C)Cc1ccccc1Br ZINC000470759733 988801278 /nfs/dbraw/zinc/80/12/78/988801278.db2.gz JKLHOMDOCPHIKQ-LLVKDONJSA-N -1 3 406.324 3.912 20 0 HHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000464719508 988935037 /nfs/dbraw/zinc/93/50/37/988935037.db2.gz QCIJNWLNJXKQEP-NRFANRHFSA-N -1 3 422.504 3.596 20 0 HHADHM CCCS(=O)(=O)Cc1nc(=O)c2c3c(sc2[n-]1)C[C@H](c1ccccc1)CC3 ZINC000471468027 989661420 /nfs/dbraw/zinc/66/14/20/989661420.db2.gz REENOLNARMURGA-CQSZACIVSA-N -1 3 402.541 3.994 20 0 HHADHM Cc1nc(C)c(CCC(=O)Nc2ncccc2OCc2cccc(Cl)c2)c(=O)[n-]1 ZINC000471544362 989744090 /nfs/dbraw/zinc/74/40/90/989744090.db2.gz ABVCCXKSGDPRCJ-UHFFFAOYSA-N -1 3 412.877 3.998 20 0 HHADHM Cc1nc(CNC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)oc1-c1ccc(Cl)cc1 ZINC000471579868 989782666 /nfs/dbraw/zinc/78/26/66/989782666.db2.gz YFTRMHPJPNGEJV-UHFFFAOYSA-N -1 3 410.817 3.509 20 0 HHADHM C[C@H](C(=O)Nc1ccc(NC(=O)c2cc([O-])c3ccccc3c2)cc1)n1cncn1 ZINC000471705893 989906433 /nfs/dbraw/zinc/90/64/33/989906433.db2.gz MJKIVQDNMGDDPM-CQSZACIVSA-N -1 3 401.426 3.589 20 0 HHADHM C[C@H]1CSc2ccc(Br)cc2[C@H]1NC(=O)NCc1ncccc1[O-] ZINC000471819909 990000612 /nfs/dbraw/zinc/00/06/12/990000612.db2.gz KAMFJEYQGLGWNG-QFYYESIMSA-N -1 3 408.321 3.832 20 0 HHADHM CN(C)Cc1nc(C2(NC(=O)c3cc([O-])c4ccccc4c3)CCCCCC2)no1 ZINC000471844733 990019056 /nfs/dbraw/zinc/01/90/56/990019056.db2.gz LKOKZRNPQVPEIA-UHFFFAOYSA-N -1 3 408.502 3.970 20 0 HHADHM Cc1cc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3cccc4cnccc43)n2)ccc1F ZINC000471884485 990057789 /nfs/dbraw/zinc/05/77/89/990057789.db2.gz LXNDBWJXASRERE-CYBMUJFWSA-N -1 3 412.446 3.772 20 0 HHADHM Cc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3ccc4c(c3)C[C@@H](C)O4)n2)cc1F ZINC000471895549 990066839 /nfs/dbraw/zinc/06/68/39/990066839.db2.gz MCWUFPKTGWFRNK-CHWSQXEVSA-N -1 3 417.462 3.547 20 0 HHADHM Cc1nc2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3[N-]S(C)(=O)=O)cc2o1 ZINC000472072015 990233547 /nfs/dbraw/zinc/23/35/47/990233547.db2.gz CVASHEKGXGTUKD-UHFFFAOYSA-N -1 3 413.377 3.779 20 0 HHADHM Cc1ncc(S(=O)(=O)[N-]Cc2nc3c(s2)C[C@@H](c2ccccc2)CC3)s1 ZINC000466544199 991852010 /nfs/dbraw/zinc/85/20/10/991852010.db2.gz WPUAMLXARGHACO-AWEZNQCLSA-N -1 3 405.570 3.659 20 0 HHADHM Cc1cccc(C[C@@H](CO)[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c1 ZINC000466724870 992036065 /nfs/dbraw/zinc/03/60/65/992036065.db2.gz MXYFUULEDPTWQN-AWEZNQCLSA-N -1 3 407.841 3.549 20 0 HHADHM CO[C@H](C[N-]S(=O)(=O)c1sc(C)cc1Br)c1ccc(F)cc1 ZINC000466858878 992178803 /nfs/dbraw/zinc/17/88/03/992178803.db2.gz LISZHEVCQZDMTL-CYBMUJFWSA-N -1 3 408.314 3.624 20 0 HHADHM CC1(C)Cc2cc([N-]S(=O)(=O)c3ccc(OC[C@H]4CCOC4)c(F)c3)ccc2O1 ZINC000466975367 992287010 /nfs/dbraw/zinc/28/70/10/992287010.db2.gz XIJMJJDZOZKCPJ-AWEZNQCLSA-N -1 3 421.490 3.755 20 0 HHADHM CC1(C)Cc2cc([N-]S(=O)(=O)c3ccc(OC[C@@H]4CCOC4)c(F)c3)ccc2O1 ZINC000466975368 992287438 /nfs/dbraw/zinc/28/74/38/992287438.db2.gz XIJMJJDZOZKCPJ-CQSZACIVSA-N -1 3 421.490 3.755 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C2(Cc3ccccc3)CCC2)cc1OC ZINC000466990276 992299910 /nfs/dbraw/zinc/29/99/10/992299910.db2.gz CTORNDCLGWCEKQ-UHFFFAOYSA-N -1 3 402.516 3.808 20 0 HHADHM CCOCCOCc1cccc([N-]S(=O)(=O)c2cc(C)c(OC)c(C)c2)c1C ZINC000467077575 992384461 /nfs/dbraw/zinc/38/44/61/992384461.db2.gz BJWSOXQKTZDANY-UHFFFAOYSA-N -1 3 407.532 3.974 20 0 HHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(C)c2)ccc1C ZINC000467079664 992385826 /nfs/dbraw/zinc/38/58/26/992385826.db2.gz PMZYMLCEQSXCTE-UHFFFAOYSA-N -1 3 417.405 3.832 20 0 HHADHM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCCS3(=O)=O)cc2)cc1 ZINC000467086392 992391637 /nfs/dbraw/zinc/39/16/37/992391637.db2.gz UASZIIVFWMNCJM-UHFFFAOYSA-N -1 3 422.572 3.715 20 0 HHADHM Cc1ccc(-n2[n-]c(C(=O)NC[C@H](c3cccs3)N3CCC(C)CC3)cc2=O)cc1 ZINC000467250207 992573081 /nfs/dbraw/zinc/57/30/81/992573081.db2.gz SADQUIWTUWCRLX-HXUWFJFHSA-N -1 3 424.570 3.739 20 0 HHADHM Cc1ccc([N-]S(=O)(=O)c2cc3[nH]c(=O)[nH]c3cc2Br)c(Cl)c1 ZINC000467324380 992645865 /nfs/dbraw/zinc/64/58/65/992645865.db2.gz NJQHUKYUHVWDJF-UHFFFAOYSA-N -1 3 416.684 3.794 20 0 HHADHM Cc1ccc(NC(=O)c2c[nH]c(C3CC3)n2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000467385634 992700314 /nfs/dbraw/zinc/70/03/14/992700314.db2.gz OTVHFSPFSOGEJA-UHFFFAOYSA-N -1 3 414.462 3.788 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)Nc1cnn(C(F)F)c1 ZINC000467430459 992729345 /nfs/dbraw/zinc/72/93/45/992729345.db2.gz RBFDJEAMYFQWHO-UHFFFAOYSA-N -1 3 424.404 3.779 20 0 HHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCC(C)(C)C[C@@H](C)O)c2)cc1 ZINC000467496247 992781235 /nfs/dbraw/zinc/78/12/35/992781235.db2.gz PZUZYWGTSMSLPA-QGZVFWFLSA-N -1 3 418.559 3.631 20 0 HHADHM COc1ccccc1N1CC[C@H](C[N-]S(=O)(=O)c2oc3ccc(F)cc3c2C)C1 ZINC000472103194 993153821 /nfs/dbraw/zinc/15/38/21/993153821.db2.gz BKNUJCKPKXFRLR-OAHLLOKOSA-N -1 3 418.490 3.694 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(OC)cc3OCCOC)c2)n1 ZINC000472124517 993176965 /nfs/dbraw/zinc/17/69/65/993176965.db2.gz QDTWEXVVDGUDAE-UHFFFAOYSA-N -1 3 423.469 3.698 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C2(c3ccccc3C)CCC2)cc1OC ZINC000472134365 993187190 /nfs/dbraw/zinc/18/71/90/993187190.db2.gz JMWMVJGEINCINR-UHFFFAOYSA-N -1 3 402.516 3.826 20 0 HHADHM CC(C)N1CC[C@@H](NC(=O)NCc2ncccc2[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000472142251 993197206 /nfs/dbraw/zinc/19/72/06/993197206.db2.gz MPJMIVIYPXDMQB-APWZRJJASA-N -1 3 406.889 3.603 20 0 HHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](c1nnc2ccccn21)C(C)C ZINC000472331379 993340888 /nfs/dbraw/zinc/34/08/88/993340888.db2.gz XRVKTQFCSRTBHD-QGZVFWFLSA-N -1 3 402.451 3.599 20 0 HHADHM O=C(NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1)c1cc(=O)c2ccccc2[n-]1 ZINC000472441299 993444396 /nfs/dbraw/zinc/44/43/96/993444396.db2.gz ZBYQCWOTMZPBLK-UHFFFAOYSA-N -1 3 415.424 3.850 20 0 HHADHM O=C(Nc1cc(Br)ccc1[O-])[C@H]1Cc2cc(Br)ccc2O1 ZINC000472443901 993446962 /nfs/dbraw/zinc/44/69/62/993446962.db2.gz MGMFBCFBBDBMDP-CQSZACIVSA-N -1 3 413.065 3.859 20 0 HHADHM COc1ccccc1[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)OC(C)C ZINC000472628922 993570385 /nfs/dbraw/zinc/57/03/85/993570385.db2.gz SZWXTEVBOVZZBH-KRWDZBQOSA-N -1 3 401.887 3.932 20 0 HHADHM C[C@@H](O)[C@@](C)(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)Cc1ccccc1 ZINC000480753292 993619899 /nfs/dbraw/zinc/61/98/99/993619899.db2.gz IGWXJJPJLIEYKZ-FZKQIMNGSA-N -1 3 402.343 3.902 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1ccc(Oc2ccc(Cl)cc2)nc1 ZINC000480814584 993688339 /nfs/dbraw/zinc/68/83/39/993688339.db2.gz XREUBOPBKOIFFQ-UHFFFAOYSA-N -1 3 412.759 3.986 20 0 HHADHM C[C@@H]([N-]S(=O)(=O)CC1CCCC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000480837575 993712423 /nfs/dbraw/zinc/71/24/23/993712423.db2.gz KVTDIXVNDCPDGA-LLVKDONJSA-N -1 3 414.325 3.670 20 0 HHADHM CC(C)c1cccc(-n2cc([O-])c(C(=O)N(CCN(C)C)Cc3cccc(O)c3)n2)c1 ZINC000480852527 993724421 /nfs/dbraw/zinc/72/44/21/993724421.db2.gz ZTEXBCZHJIITER-UHFFFAOYSA-N -1 3 422.529 3.611 20 0 HHADHM COc1ccc(CN(C)C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)cc1OC(F)F ZINC000480906047 993762104 /nfs/dbraw/zinc/76/21/04/993762104.db2.gz BDWJAPAMMYESPP-UHFFFAOYSA-N -1 3 424.350 3.689 20 0 HHADHM Cc1nc2cc(C(=O)NCc3nc(C(F)(F)F)n[n-]3)ccc2n1Cc1ccsc1 ZINC000473014902 993936513 /nfs/dbraw/zinc/93/65/13/993936513.db2.gz LPYHDFCRRUYAKD-UHFFFAOYSA-N -1 3 420.420 3.521 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)N[C@H]3CCc4cn(C(C)C)nc4C3)cc2)cc(=O)[n-]1 ZINC000481157921 993991350 /nfs/dbraw/zinc/99/13/50/993991350.db2.gz WODNOOVQKUKGBY-SFHVURJKSA-N -1 3 406.490 3.614 20 0 HHADHM C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000473396774 994251374 /nfs/dbraw/zinc/25/13/74/994251374.db2.gz XUDDYIGOYMNHDE-PRHODGIISA-N -1 3 403.198 3.704 20 0 HHADHM Cc1ccsc1-c1nc(=NC(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)s[n-]1 ZINC000481428398 994263419 /nfs/dbraw/zinc/26/34/19/994263419.db2.gz UKYHEQYEHRDYTK-DZGCQCFKSA-N -1 3 401.561 3.810 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)NCC[C@H]3COc4ccccc4O3)cc2)cc(=O)[n-]1 ZINC000481489797 994322650 /nfs/dbraw/zinc/32/26/50/994322650.db2.gz IYVMVBIVEYPYTN-KRWDZBQOSA-N -1 3 406.442 3.509 20 0 HHADHM O=C(Cc1csc(-c2cc(Br)cs2)n1)NCc1ncccc1[O-] ZINC000473635849 994517187 /nfs/dbraw/zinc/51/71/87/994517187.db2.gz BQEYLAAAJOVEMF-UHFFFAOYSA-N -1 3 410.318 3.594 20 0 HHADHM O=C(NCc1ncccc1[O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc(Cl)cc1 ZINC000473644485 994527720 /nfs/dbraw/zinc/52/77/20/994527720.db2.gz RPRXHKGPMCMDRA-LZQZEXGQSA-N -1 3 413.905 3.530 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)[C@@H]3C[C@]3(C)C(C)C)c2)cc1 ZINC000481794783 994642929 /nfs/dbraw/zinc/64/29/29/994642929.db2.gz LGPMSXPLMCEMKL-RBBKRZOGSA-N -1 3 416.543 3.794 20 0 HHADHM COc1cc(C(=O)NCc2nc(C(F)(F)F)n[n-]2)cc(Cl)c1OCCC(C)C ZINC000481907549 994779501 /nfs/dbraw/zinc/77/95/01/994779501.db2.gz IKGHQGWARPBSJW-UHFFFAOYSA-N -1 3 420.819 3.840 20 0 HHADHM Cc1cc(S(=O)(=O)[N-]CCC(=O)Nc2cccc(Cl)c2C)sc1Cl ZINC000473916404 994883014 /nfs/dbraw/zinc/88/30/14/994883014.db2.gz QRMPLXVIRHFSIM-UHFFFAOYSA-N -1 3 407.344 3.979 20 0 HHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(OCC(F)(F)F)c2)cc1 ZINC000482045100 994967786 /nfs/dbraw/zinc/96/77/86/994967786.db2.gz RVULXKCSAMPVIH-UHFFFAOYSA-N -1 3 405.394 3.836 20 0 HHADHM Cc1ccc(-n2cc(C(=O)NCc3nc(C(F)(F)F)n[n-]3)c(C(C)(C)C)n2)cc1 ZINC000482213802 995198400 /nfs/dbraw/zinc/19/84/00/995198400.db2.gz PFSXCGLIULGIKW-UHFFFAOYSA-N -1 3 406.412 3.545 20 0 HHADHM CCN(Cc1ccccc1)c1ccc(C(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000482230952 995213737 /nfs/dbraw/zinc/21/37/37/995213737.db2.gz VGMDKFQEEFOACA-UHFFFAOYSA-N -1 3 403.408 3.780 20 0 HHADHM CCCOc1ccc(CNC(=O)NCc2ccc([O-])c(Br)c2)cc1OC ZINC000482290548 995270736 /nfs/dbraw/zinc/27/07/36/995270736.db2.gz FGPHZNBHRZQSEE-UHFFFAOYSA-N -1 3 423.307 3.952 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cc(-c3ccc(F)cc3)on2)cc1OC ZINC000474279006 995275337 /nfs/dbraw/zinc/27/53/37/995275337.db2.gz YPTHMEZCGCNKGK-UHFFFAOYSA-N -1 3 419.434 3.503 20 0 HHADHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc(CN(C)C)ccn2)cc1 ZINC000482372413 995355134 /nfs/dbraw/zinc/35/51/34/995355134.db2.gz VDLPFTXJMAZCPW-UHFFFAOYSA-N -1 3 424.526 3.505 20 0 HHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(CC(=O)N(C)c2ccccc2)cc1 ZINC000474548674 995515031 /nfs/dbraw/zinc/51/50/31/995515031.db2.gz WSSSYRLCXFODFW-UHFFFAOYSA-N -1 3 422.510 3.670 20 0 HHADHM CNS(=O)(=O)c1csc(C(=O)[N-]c2c(F)cccc2Oc2ccccc2)c1 ZINC000482520127 995529363 /nfs/dbraw/zinc/52/93/63/995529363.db2.gz QNIYIKWFHZEANJ-UHFFFAOYSA-N -1 3 406.460 3.840 20 0 HHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(Cn2cnc3ccccc32)cc1 ZINC000474575555 995537088 /nfs/dbraw/zinc/53/70/88/995537088.db2.gz DUZMQPHKLKWUKX-UHFFFAOYSA-N -1 3 405.483 3.863 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(-c3nc(C(C)(C)OC)no3)c2)cc1 ZINC000482545447 995553434 /nfs/dbraw/zinc/55/34/34/995553434.db2.gz YNWFQRTYODGKAK-UHFFFAOYSA-N -1 3 417.487 3.736 20 0 HHADHM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@H]1CCCCN1Cc1cccc(Cl)c1 ZINC000474700115 995641194 /nfs/dbraw/zinc/64/11/94/995641194.db2.gz ZVBJDOQEOWHBCC-MRXNPFEDSA-N -1 3 420.966 3.650 20 0 HHADHM CN(C)S(=O)(=O)c1ccc(F)c([N-]C(=O)c2ccc(Oc3ccccc3)o2)c1 ZINC000482672954 995665301 /nfs/dbraw/zinc/66/53/01/995665301.db2.gz RCNCTAAXUOBNFY-UHFFFAOYSA-N -1 3 404.419 3.714 20 0 HHADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1ccc(C(=O)N2CCCC2)cc1 ZINC000482751348 995724564 /nfs/dbraw/zinc/72/45/64/995724564.db2.gz XMZOQTBCIBIAJV-UHFFFAOYSA-N -1 3 418.291 3.712 20 0 HHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1C ZINC000474842001 995745013 /nfs/dbraw/zinc/74/50/13/995745013.db2.gz RHQMWSLUTATWQY-CYBMUJFWSA-N -1 3 414.531 3.788 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)NC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000482862467 995799122 /nfs/dbraw/zinc/79/91/22/995799122.db2.gz DTGUBMBYOVPUQT-UHFFFAOYSA-N -1 3 411.334 3.691 20 0 HHADHM COC(=O)[C@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)c1ccccc1C ZINC000474938869 995813458 /nfs/dbraw/zinc/81/34/58/995813458.db2.gz AJLNSGYIUCIUCE-QGZVFWFLSA-N -1 3 406.467 3.836 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000474988725 995848468 /nfs/dbraw/zinc/84/84/68/995848468.db2.gz CSQOJSZMFDKMEK-UHFFFAOYSA-N -1 3 420.182 3.638 20 0 HHADHM CC(C)NC(=O)c1ccc(NC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000482978350 995896785 /nfs/dbraw/zinc/89/67/85/995896785.db2.gz HKXRYKKSZGEPEP-UHFFFAOYSA-N -1 3 406.280 3.615 20 0 HHADHM CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483039316 995935111 /nfs/dbraw/zinc/93/51/11/995935111.db2.gz WNXHJTAYYJLYQY-SNVBAGLBSA-N -1 3 410.227 3.951 20 0 HHADHM Cc1ccc(CNC(=O)NCc2nc(C(F)(F)F)n[n-]2)c(O[C@@H](C)CC(C)C)c1 ZINC000483196556 996031364 /nfs/dbraw/zinc/03/13/64/996031364.db2.gz JUSBHEKNKMZRFH-ZDUSSCGKSA-N -1 3 413.444 3.945 20 0 HHADHM Cc1ccc(CNC(=O)NCc2nc(C(F)(F)F)n[n-]2)c(OCCCC(C)C)c1 ZINC000483197959 996032146 /nfs/dbraw/zinc/03/21/46/996032146.db2.gz LQJICKDVDSOABR-UHFFFAOYSA-N -1 3 413.444 3.946 20 0 HHADHM CC(=O)c1ccc(Cl)c([N-]C(=O)c2sccc2S(=O)(=O)N2CCCC2)c1 ZINC000475295280 996051952 /nfs/dbraw/zinc/05/19/52/996051952.db2.gz PSCXCHRCEWIYQX-UHFFFAOYSA-N -1 3 412.920 3.641 20 0 HHADHM COc1ccccc1[C@](N)(C(=O)Nc1cc(Br)ccc1[O-])C(F)(F)F ZINC000483342322 996110971 /nfs/dbraw/zinc/11/09/71/996110971.db2.gz WXQIMGGXHRJJBX-HNNXBMFYSA-N -1 3 419.197 3.518 20 0 HHADHM Cn1ccnc1-c1cccc(NC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000483342406 996111120 /nfs/dbraw/zinc/11/11/20/996111120.db2.gz XNSOFFLHKGWJHE-UHFFFAOYSA-N -1 3 401.264 3.877 20 0 HHADHM CC1(C)CN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C[C@@]2(CCCOC2)O1 ZINC000483360756 996124967 /nfs/dbraw/zinc/12/49/67/996124967.db2.gz XCJIRBOLLFKMQH-OAQYLSRUSA-N -1 3 415.515 3.817 20 0 HHADHM CCc1onc(-c2ccccc2)c1C(=O)[N-]c1n[nH]c(-c2ccc(OC)cc2OC)n1 ZINC000475473283 996163675 /nfs/dbraw/zinc/16/36/75/996163675.db2.gz WVPGLWNGACAKTC-UHFFFAOYSA-N -1 3 419.441 3.959 20 0 HHADHM CCS[C@@H]1CCC[C@H](NC(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)C1 ZINC000483439225 996179812 /nfs/dbraw/zinc/17/98/12/996179812.db2.gz JZCCAXTZECMKSD-DZGCQCFKSA-N -1 3 415.581 3.643 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000483558358 996249608 /nfs/dbraw/zinc/24/96/08/996249608.db2.gz KVZMEYOFQHVZCT-UHFFFAOYSA-N -1 3 419.329 3.841 20 0 HHADHM Cc1onc(-c2ccccc2C)c1C(=O)[N-]c1cc(S(=O)(=O)N(C)C)ccc1F ZINC000483689732 996330985 /nfs/dbraw/zinc/33/09/85/996330985.db2.gz WHAAKRQWEANQMM-UHFFFAOYSA-N -1 3 417.462 3.600 20 0 HHADHM Cc1cc(F)c(S(=O)(=O)[N-]C2CCN(c3nc4ccccc4s3)CC2)cc1F ZINC000475741395 996340239 /nfs/dbraw/zinc/34/02/39/996340239.db2.gz WQNZMULFJMHITR-UHFFFAOYSA-N -1 3 423.510 3.830 20 0 HHADHM O=S(=O)(CCOc1ccc(F)cc1)[N-]c1cc(F)cc(NCC(F)(F)F)c1 ZINC000475809781 996385005 /nfs/dbraw/zinc/38/50/05/996385005.db2.gz IFIHONLVQVRDNW-UHFFFAOYSA-N -1 3 410.364 3.760 20 0 HHADHM CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(NC(C)=O)ccc2OC)c1 ZINC000475827642 996396750 /nfs/dbraw/zinc/39/67/50/996396750.db2.gz DOLIKUBKVJNFRY-UHFFFAOYSA-N -1 3 410.879 3.701 20 0 HHADHM CC(C)n1nccc1[C@H]1OCC[C@@H]1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000484043315 996537935 /nfs/dbraw/zinc/53/79/35/996537935.db2.gz NCWSYYDODLKWGG-LRDDRELGSA-N -1 3 404.319 3.579 20 0 HHADHM Cc1nc(CC2CC2)oc1C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000476018763 996545960 /nfs/dbraw/zinc/54/59/60/996545960.db2.gz HIENIBMNQZVVDD-UHFFFAOYSA-N -1 3 417.409 3.578 20 0 HHADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)c1ccc2nc(-c3ccccc3)oc2c1 ZINC000484126917 996584597 /nfs/dbraw/zinc/58/45/97/996584597.db2.gz FHUDDVVDAHYKDZ-UHFFFAOYSA-N -1 3 419.393 3.648 20 0 HHADHM COc1nn(C)c2nc(C)c(CCC(=O)Nc3ccc([O-])c(C(F)(F)F)c3)c(C)c12 ZINC000476167031 996648986 /nfs/dbraw/zinc/64/89/86/996648986.db2.gz RHYCRSWCMDTIQG-UHFFFAOYSA-N -1 3 422.407 3.889 20 0 HHADHM CCC(=O)NCc1cc(S(=O)(=O)[N-]c2c(C)cccc2C(C)C)ccc1OC ZINC000476254809 996709124 /nfs/dbraw/zinc/70/91/24/996709124.db2.gz KPSRWVVFKIFSJL-UHFFFAOYSA-N -1 3 404.532 3.954 20 0 HHADHM COCCOc1ccc([N-]S(=O)(=O)c2cccc(Br)c2C)c(C)c1 ZINC000476396769 996850641 /nfs/dbraw/zinc/85/06/41/996850641.db2.gz JVYYQHKDNACYRO-UHFFFAOYSA-N -1 3 414.321 3.892 20 0 HHADHM CCCCOc1ccccc1NC(=O)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000484523984 996855680 /nfs/dbraw/zinc/85/56/80/996855680.db2.gz GNRFPQKAOCIXFM-UHFFFAOYSA-N -1 3 421.291 3.589 20 0 HHADHM CCSc1cccc(NC(=O)C(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000484535702 996867734 /nfs/dbraw/zinc/86/77/34/996867734.db2.gz WDSPAWGMGLYOOH-UHFFFAOYSA-N -1 3 409.305 3.522 20 0 HHADHM CCc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3ccc4ncsc4c3)n2)cc1 ZINC000476425179 996892691 /nfs/dbraw/zinc/89/26/91/996892691.db2.gz TYVACQVDRRQOPT-GFCCVEGCSA-N -1 3 414.512 3.948 20 0 HHADHM COCCOc1ccc([N-]S(=O)(=O)c2cccc(Br)c2C)cc1 ZINC000476434053 996905040 /nfs/dbraw/zinc/90/50/40/996905040.db2.gz VJQIHBYBKMMVFM-UHFFFAOYSA-N -1 3 400.294 3.584 20 0 HHADHM CN(C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)[C@H](c1ccncc1)c1ccc(Cl)cc1 ZINC000484613020 996945444 /nfs/dbraw/zinc/94/54/44/996945444.db2.gz HOBSAKYICBVNOP-IBGZPJMESA-N -1 3 420.856 3.872 20 0 HHADHM CC(C)OCCS(=O)(=O)[N-]c1ccc(Cl)c(C(=O)NC2CCCCC2)c1 ZINC000484617981 996951925 /nfs/dbraw/zinc/95/19/25/996951925.db2.gz PNZZMOLXFGAYLR-UHFFFAOYSA-N -1 3 402.944 3.569 20 0 HHADHM CCC(CC)[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Br)cc2F)CCO1 ZINC000476501328 996988441 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HHADHM COC(=O)Cc1nc(NC(=O)c2scc(-c3ccc(C)cc3)c2-n2cccc2)n[n-]1 ZINC000486456348 998778245 /nfs/dbraw/zinc/77/82/45/998778245.db2.gz FLYXJBKFZVXGMM-UHFFFAOYSA-N -1 3 421.482 3.600 20 0 HHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(F)cc(Br)c2F)ccc1C ZINC000486550460 998821064 /nfs/dbraw/zinc/82/10/64/998821064.db2.gz QXAXSGCSXKMVFR-UHFFFAOYSA-N -1 3 420.231 3.623 20 0 HHADHM C[C@@H]1CN(C(=O)NCc2ccc([O-])c(Br)c2)C[C@H](c2ccsc2)O1 ZINC000486644583 998872666 /nfs/dbraw/zinc/87/26/66/998872666.db2.gz IAGPGWOXXVWTTB-BDJLRTHQSA-N -1 3 411.321 3.888 20 0 HHADHM CCN(Cc1ccc2c(c1)OCO2)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000486652046 998876601 /nfs/dbraw/zinc/87/66/01/998876601.db2.gz NXDQXLFOWZKNFC-UHFFFAOYSA-N -1 3 407.264 3.615 20 0 HHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H]2CCOC3(CCCCC3)C2)cc1Cl ZINC000486656649 998879525 /nfs/dbraw/zinc/87/95/25/998879525.db2.gz KTQCQRIWIQLHAW-ZDUSSCGKSA-N -1 3 418.918 3.598 20 0 HHADHM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cc(-n3nnnc3C3CC3)ccc2F)cc1 ZINC000486747552 998920335 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999203077 /nfs/dbraw/zinc/20/30/77/999203077.db2.gz XMARNQXLKDFWJG-UHFFFAOYSA-N -1 3 422.938 3.523 20 0 HHADHM CCOC(=O)c1nnc(C2CCN(C(=O)CCSc3cccc(Cl)c3)CC2)[n-]1 ZINC000487510014 999203081 /nfs/dbraw/zinc/20/30/81/999203081.db2.gz XMARNQXLKDFWJG-UHFFFAOYSA-N -1 3 422.938 3.523 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)Nc2cc(OC)c(C)cc2C)cc1OC ZINC000478929605 999211532 /nfs/dbraw/zinc/21/15/32/999211532.db2.gz PYTFNQFWXDTZAD-UHFFFAOYSA-N -1 3 407.492 3.726 20 0 HHADHM Cc1ccc(NC(=O)[C@H]2CCC(=O)[C@@H](C)C2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000479077309 999283337 /nfs/dbraw/zinc/28/33/37/999283337.db2.gz IVCKRWQBLPKCMJ-GJZGRUSLSA-N -1 3 418.490 3.879 20 0 HHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)NCC1(c2cccc(Cl)c2F)CCCC1 ZINC000479262440 999353064 /nfs/dbraw/zinc/35/30/64/999353064.db2.gz VLKPCBJHFHFEQI-UHFFFAOYSA-N -1 3 419.810 3.927 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC[C@@H]3CC3(C)C)c2)cc1 ZINC000488124058 999384041 /nfs/dbraw/zinc/38/40/41/999384041.db2.gz YFEOXFNCEXXURW-HNNXBMFYSA-N -1 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RFKYOYWZABRHFY-GOEBONIOSA-N -1 3 409.511 3.525 20 0 HHADHM Cc1nc(S(=O)(=O)CC(=O)N(C)Cc2ccc(Cl)s2)[n-]c1-c1ccccc1 ZINC000490455847 999960322 /nfs/dbraw/zinc/96/03/22/999960322.db2.gz SPZWIZSZWPRQLI-UHFFFAOYSA-N -1 3 423.947 3.532 20 0 HHADHM Cc1[n-]c(S(=O)(=O)CC(=O)N(C)Cc2ccc(Cl)s2)nc1-c1ccccc1 ZINC000490455847 999960324 /nfs/dbraw/zinc/96/03/24/999960324.db2.gz SPZWIZSZWPRQLI-UHFFFAOYSA-N -1 3 423.947 3.532 20 0 HHADHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2cc(Br)ccc2Cl)o1 ZINC000490501610 999967922 /nfs/dbraw/zinc/96/79/22/999967922.db2.gz UESNKBPARAOCIG-UHFFFAOYSA-N -1 3 407.717 3.830 20 0 HHADHM Cc1ccc(S[C@@H](C(=O)Nc2n[n-]c(SCCO)n2)c2ccccc2)c(C)c1 ZINC000490558649 999976869 /nfs/dbraw/zinc/97/68/69/999976869.db2.gz AGNLUBIJRJYPTQ-QGZVFWFLSA-N -1 3 414.556 3.978 20 0 HHADHM O=C(Nc1n[n-]c(SCCO)n1)[C@@H](Sc1ccc(F)cc1)c1ccccc1 ZINC000490581276 999980000 /nfs/dbraw/zinc/98/00/00/999980000.db2.gz APPVOBFBXWITAO-HNNXBMFYSA-N -1 3 404.492 3.500 20 0 HHADHM CC(C)[C@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493769602 1000191818 /nfs/dbraw/zinc/19/18/18/1000191818.db2.gz SIOKWOIPXATWSJ-XHDPSFHLSA-N -1 3 410.761 3.832 20 0 HHADHM Cc1cnc([C@H](C)C[N-]S(=O)(=O)c2cccc(Cl)c2Br)s1 ZINC000493812350 1000195108 /nfs/dbraw/zinc/19/51/08/1000195108.db2.gz DFQHVMNHALSGTI-MRVPVSSYSA-N -1 3 409.758 3.949 20 0 HHADHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2Br)C12CCC2 ZINC000493891190 1000203057 /nfs/dbraw/zinc/20/30/57/1000203057.db2.gz KZPNOTASAFCSFF-QWHCGFSZSA-N -1 3 408.745 3.729 20 0 HHADHM O=S(=O)([N-][C@H](CCO)C1CCCCC1)c1cccc(Cl)c1Br ZINC000493900252 1000205172 /nfs/dbraw/zinc/20/51/72/1000205172.db2.gz KQJIXBKCWVLCGC-CYBMUJFWSA-N -1 3 410.761 3.712 20 0 HHADHM O=S(=O)([N-][C@@H](CCCO)c1ccccc1)c1cccc(Cl)c1Br ZINC000493916344 1000212246 /nfs/dbraw/zinc/21/22/46/1000212246.db2.gz IWJVBRNZRFREBQ-AWEZNQCLSA-N -1 3 418.740 3.895 20 0 HHADHM O=S(=O)([N-][C@H](CCO)c1ccccc1)c1cccc(Cl)c1Br ZINC000493916678 1000212538 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ZINC000571710501 1072704306 /nfs/dbraw/zinc/70/43/06/1072704306.db2.gz UEEVQMKPEUXGSE-UHFFFAOYSA-N -1 3 404.264 3.561 20 0 HHADHM CCN(Cc1ccoc1)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000588120236 1072811943 /nfs/dbraw/zinc/81/19/43/1072811943.db2.gz GCLLPCGVEQQXTP-UHFFFAOYSA-N -1 3 402.447 3.882 20 0 HHADHM CC(C)(C)c1n[nH]cc1C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000645779794 1072851224 /nfs/dbraw/zinc/85/12/24/1072851224.db2.gz RNYDIOGZXQAPRZ-UHFFFAOYSA-N -1 3 404.898 3.557 20 0 HHADHM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3C[C@@H](CN(C)C)Oc4ccccc43)n2)c1 ZINC000645787566 1072869128 /nfs/dbraw/zinc/86/91/28/1072869128.db2.gz LCMLBNUEECJCOR-LJQANCHMSA-N -1 3 420.513 3.671 20 0 HHADHM Brc1cccc(-c2nc(-c3noc(-c4cccc5n[nH]cc54)n3)n[n-]2)c1 ZINC000571899797 1072869518 /nfs/dbraw/zinc/86/95/18/1072869518.db2.gz NEYSPKCASJFFJN-UHFFFAOYSA-N -1 3 408.219 3.828 20 0 HHADHM Cc1cccc(Oc2ncccc2NC(=O)C(=O)NCc2ccc([O-])c(F)c2)c1C ZINC000572050008 1073123251 /nfs/dbraw/zinc/12/32/51/1073123251.db2.gz VHAMQDDYECJGLQ-UHFFFAOYSA-N -1 3 409.417 3.590 20 0 HHADHM COC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)sc2C)c(Br)c1 ZINC000555195062 1073243030 /nfs/dbraw/zinc/24/30/30/1073243030.db2.gz MZARTTNUDNTAKP-UHFFFAOYSA-N -1 3 404.307 3.715 20 0 HHADHM CC[C@@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000555241190 1073284851 /nfs/dbraw/zinc/28/48/51/1073284851.db2.gz IDXHFNFGDUSFTI-QGZVFWFLSA-N -1 3 409.534 3.610 20 0 HHADHM CC(C)[C@@H]([N-]S(=O)(=O)Cc1ccc(C(F)F)cc1)c1nc(-c2cccnc2)no1 ZINC000555297814 1073328626 /nfs/dbraw/zinc/32/86/26/1073328626.db2.gz VCUIGTFHHRTIQV-MRXNPFEDSA-N -1 3 422.457 3.886 20 0 HHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cccnc1SCc1ccc(F)cc1 ZINC000589972617 1073416545 /nfs/dbraw/zinc/41/65/45/1073416545.db2.gz NIZWMUCVOGJUHZ-UHFFFAOYSA-N -1 3 406.446 3.945 20 0 HHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cccnc1SCc1ccc(F)cc1 ZINC000589972617 1073416581 /nfs/dbraw/zinc/41/65/81/1073416581.db2.gz NIZWMUCVOGJUHZ-UHFFFAOYSA-N -1 3 406.446 3.945 20 0 HHADHM COCCCNC(=O)[C@@H](C)S[C@@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000600034893 1073421829 /nfs/dbraw/zinc/42/18/29/1073421829.db2.gz DVMQXPKGJHFRDU-NWDGAFQWSA-N -1 3 421.544 3.992 20 0 HHADHM COc1ccc(NC(=O)[C@H]2CCCOC2)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000589940926 1073426774 /nfs/dbraw/zinc/42/67/74/1073426774.db2.gz LGZWNKDPIAUCBR-ZDUSSCGKSA-N -1 3 424.906 3.515 20 0 HHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(Br)c2Cl)cs1 ZINC000555460002 1073507340 /nfs/dbraw/zinc/50/73/40/1073507340.db2.gz FROZOWCPYOJLFK-UHFFFAOYSA-N -1 3 410.698 3.751 20 0 HHADHM CC[C@H](C)Oc1ccccc1/C=C/C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000760762710 1073547257 /nfs/dbraw/zinc/54/72/57/1073547257.db2.gz ROGKRQBYPKHKRP-HGZMWJMZSA-N -1 3 408.498 3.567 20 0 HHADHM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3cc(C(F)(F)F)ccc3F)cc2C[C@@H]1C ZINC000590264310 1073719912 /nfs/dbraw/zinc/71/99/12/1073719912.db2.gz GAHJFEPKIWWCAS-JTQLQIEISA-N -1 3 416.396 3.943 20 0 HHADHM O=S(=O)([N-]c1cc(F)ccc1Cl)c1cc2c(cc1Br)OCCO2 ZINC000590265228 1073720301 /nfs/dbraw/zinc/72/03/01/1073720301.db2.gz VCNCZXDDHCFFGH-UHFFFAOYSA-N -1 3 422.659 3.814 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(OCC3CCCCC3)cc2)ccc1F ZINC001142642436 1073721392 /nfs/dbraw/zinc/72/13/92/1073721392.db2.gz BJMGPTFAPFPDMQ-UHFFFAOYSA-N -1 3 420.506 3.945 20 0 HHADHM CCOC(=O)c1ncc(NC(=O)C(C)(C)c2csc(-c3ccccc3F)n2)[n-]1 ZINC000590341166 1073736941 /nfs/dbraw/zinc/73/69/41/1073736941.db2.gz DLJVAXOLFFZLNS-UHFFFAOYSA-N -1 3 402.451 3.765 20 0 HHADHM CCOC(=O)c1nc(NC(=O)C(C)(C)c2csc(-c3ccccc3F)n2)c[n-]1 ZINC000590341166 1073736946 /nfs/dbraw/zinc/73/69/46/1073736946.db2.gz DLJVAXOLFFZLNS-UHFFFAOYSA-N -1 3 402.451 3.765 20 0 HHADHM CCOCCCn1c(=O)c2ccc(Cl)cc2nc1SCc1ncccc1[O-] ZINC000555873828 1073921378 /nfs/dbraw/zinc/92/13/78/1073921378.db2.gz MNEBFVHXEMMHKA-UHFFFAOYSA-N -1 3 405.907 3.869 20 0 HHADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC[C@@H]3C3CC3)ccc2C)cc1 ZINC000590719206 1073991286 /nfs/dbraw/zinc/99/12/86/1073991286.db2.gz FHWPGRNTOGZQHJ-HXUWFJFHSA-N -1 3 414.527 3.819 20 0 HHADHM O=C(CSCc1ccncc1)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001649004761 1074012576 /nfs/dbraw/zinc/01/25/76/1074012576.db2.gz AYSOTADEIXRZJZ-OAHLLOKOSA-N -1 3 423.460 3.514 20 0 HHADHM COCC(C)(C)CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C ZINC000573033821 1074067786 /nfs/dbraw/zinc/06/77/86/1074067786.db2.gz XOQSOJSQUZZNMH-UHFFFAOYSA-N -1 3 404.532 3.507 20 0 HHADHM CCN(CC)[C@H](C[N-]S(=O)(=O)c1sccc1Br)c1ccsc1 ZINC000615214113 1074123024 /nfs/dbraw/zinc/12/30/24/1074123024.db2.gz JFDWEZQBNCGZID-CYBMUJFWSA-N -1 3 423.423 3.934 20 0 HHADHM O=C(OCCO)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)c1 ZINC000785418574 1074128949 /nfs/dbraw/zinc/12/89/49/1074128949.db2.gz XIKLOUNSNHARMY-UHFFFAOYSA-N -1 3 424.689 3.597 20 0 HHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccc(-n3cccc3)c(F)c2)cc1OC ZINC000591147893 1074150705 /nfs/dbraw/zinc/15/07/05/1074150705.db2.gz GPFGNGCOJYFHNW-UHFFFAOYSA-N -1 3 417.462 3.639 20 0 HHADHM Cc1ncsc1CCC(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001649005500 1074152747 /nfs/dbraw/zinc/15/27/47/1074152747.db2.gz IOVCHRZETHBICQ-CYBMUJFWSA-N -1 3 411.449 3.583 20 0 HHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)c1cc2ccsc2[nH]1 ZINC000591367948 1074267930 /nfs/dbraw/zinc/26/79/30/1074267930.db2.gz MMOMXNTUJPWLNY-UHFFFAOYSA-N -1 3 403.407 3.872 20 0 HHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CCOc2ccccc21 ZINC000591367874 1074268003 /nfs/dbraw/zinc/26/80/03/1074268003.db2.gz KNHIWBJZQWOSIZ-ZDUSSCGKSA-N -1 3 414.405 3.582 20 0 HHADHM C[C@H](Oc1ccccc1F)C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000591367270 1074268362 /nfs/dbraw/zinc/26/83/62/1074268362.db2.gz OHWJSRGSZKKDMB-JTQLQIEISA-N -1 3 420.384 3.622 20 0 HHADHM O=C(Nc1cccc(COCCc2ccccc2)c1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000591446681 1074302840 /nfs/dbraw/zinc/30/28/40/1074302840.db2.gz RMWYMHRFJYBESH-UHFFFAOYSA-N -1 3 400.434 3.582 20 0 HHADHM COc1ccc(S(=O)(=O)[N-]c2cc(C[S@@](C)=O)ccc2Cl)c(Cl)c1 ZINC000573356933 1074353822 /nfs/dbraw/zinc/35/38/22/1074353822.db2.gz XXRFXZSMORYUAF-HSZRJFAPSA-N -1 3 408.328 3.681 20 0 HHADHM CNC(=O)CCOc1ccc([N-]S(=O)(=O)c2c(C)cc(C(C)(C)C)cc2C)cc1 ZINC000591685162 1074487772 /nfs/dbraw/zinc/48/77/72/1074487772.db2.gz PGWZQLJEBNCQRO-UHFFFAOYSA-N -1 3 418.559 3.917 20 0 HHADHM CC(C)[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1ccc2c(c1)OCCO2 ZINC000591814636 1074592669 /nfs/dbraw/zinc/59/26/69/1074592669.db2.gz JKHCRKKREOYSOX-GOSISDBHSA-N -1 3 401.406 3.551 20 0 HHADHM Cc1nc(-c2ccc(NC(=O)N3CCC(Oc4ncccc4C)CC3)cc2)cc(=O)[n-]1 ZINC000573972215 1074746529 /nfs/dbraw/zinc/74/65/29/1074746529.db2.gz UHHIIOSXQXGGSR-UHFFFAOYSA-N -1 3 419.485 3.936 20 0 HHADHM CCN(CCC1CC1)C(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000760985515 1074796706 /nfs/dbraw/zinc/79/67/06/1074796706.db2.gz XJJICFWQOXSEGL-UHFFFAOYSA-N -1 3 405.347 3.696 20 0 HHADHM O=C(c1ccc([N-]S(=O)(=O)CCc2ccccc2)cc1Cl)N1CCCCC1 ZINC000592711927 1075098379 /nfs/dbraw/zinc/09/83/79/1075098379.db2.gz WIMFKHZWFTYLTB-UHFFFAOYSA-N -1 3 406.935 3.951 20 0 HHADHM COc1ccc(C[C@H](C)[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1OC ZINC000592822188 1075123699 /nfs/dbraw/zinc/12/36/99/1075123699.db2.gz HEBVRDLDTAWEEF-NSHDSACASA-N -1 3 421.412 3.771 20 0 HHADHM COC(=O)c1c(F)ccc([N-]S(=O)(=O)Cc2cc(-c3ccc(F)cc3)no2)c1C ZINC000574247472 1075194776 /nfs/dbraw/zinc/19/47/76/1075194776.db2.gz WYYUDTBYATUDRY-UHFFFAOYSA-N -1 3 422.409 3.657 20 0 HHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(F)ccc3N3CCOCC3)c2)n1 ZINC000593785058 1075224744 /nfs/dbraw/zinc/22/47/44/1075224744.db2.gz IZRLCFAUJRQVHJ-UHFFFAOYSA-N -1 3 422.460 3.640 20 0 HHADHM O=C(Nc1cc(-c2nnc3n2CCCCC3)ccc1F)c1c[n-]c2ccccc2c1=O ZINC000595441451 1075457942 /nfs/dbraw/zinc/45/79/42/1075457942.db2.gz SHHHHSBBRCETRN-UHFFFAOYSA-N -1 3 417.444 3.904 20 0 HHADHM C[N-]S(=O)(=O)c1cc(C(=O)O[C@H](c2ccccc2)c2cccc(F)c2)c(C)o1 ZINC000761133367 1075509540 /nfs/dbraw/zinc/50/95/40/1075509540.db2.gz JOYJXHRRTOGXCB-LJQANCHMSA-N -1 3 403.431 3.582 20 0 HHADHM COC1([C@@H](C)[N-]S(=O)(=O)c2ccc(Br)cc2C(F)(F)F)CCC1 ZINC001212182750 1075572350 /nfs/dbraw/zinc/57/23/50/1075572350.db2.gz UIAMLJCJBDRAHY-SECBINFHSA-N -1 3 416.259 3.704 20 0 HHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)OCC[C@H]1CCCO1 ZINC000761244304 1075723219 /nfs/dbraw/zinc/72/32/19/1075723219.db2.gz RSOCYAJUJJMVPJ-OAHLLOKOSA-N -1 3 407.463 3.661 20 0 HHADHM