smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc(N2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)c2c([nH+]1)CCCC2 ZINC000302030847 971155828 /nfs/dbraw/zinc/15/58/28/971155828.db2.gz BXGOILVUYJSZEM-UHFFFAOYSA-N -1 2 400.910 3.878 20 0 HHADLM CC(C)(C)c1ncc(NS(=O)(=O)c2cc(Cl)c(Cl)c(C(=O)[O-])c2)cn1 ZINC000058494523 965755203 /nfs/dbraw/zinc/75/52/03/965755203.db2.gz GMCUZQXUNNTNGR-UHFFFAOYSA-N -1 2 404.275 3.580 20 0 HHADLM CCCOc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])sc2Br)c1 ZINC000032599957 966291466 /nfs/dbraw/zinc/29/14/66/966291466.db2.gz FBRLPYGCKGMXRK-UHFFFAOYSA-N -1 2 420.306 3.798 20 0 HHADLM Cc1c(NS(=O)(=O)c2c(Cl)cccc2Br)cccc1C(=O)[O-] ZINC000319151377 972669491 /nfs/dbraw/zinc/66/94/91/972669491.db2.gz LBCJUJKJEWYHNC-UHFFFAOYSA-N -1 2 404.669 3.910 20 0 HHADLM Cc1cccc(NS(=O)(=O)c2c(Cl)cccc2Br)c1C(=O)[O-] ZINC000319289284 972669517 /nfs/dbraw/zinc/66/95/17/972669517.db2.gz FLOAJCPVFOTRDP-UHFFFAOYSA-N -1 2 404.669 3.910 20 0 HHADLM CCCc1c(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cnn1-c1ccccc1C ZINC000432047416 978660519 /nfs/dbraw/zinc/66/05/19/978660519.db2.gz HNPRKHLZGRYTSK-UHFFFAOYSA-N -1 2 417.462 3.771 20 0 HHADLM O=C([O-])CCCc1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2O)cc1 ZINC000436474391 981392561 /nfs/dbraw/zinc/39/25/61/981392561.db2.gz CSRYSBPKUMUVBJ-UHFFFAOYSA-N -1 2 403.378 3.619 20 0 HHADLM Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)c1 ZINC000436717667 981528937 /nfs/dbraw/zinc/52/89/37/981528937.db2.gz CINZJGKTLLECQM-UHFFFAOYSA-N -1 2 418.402 3.526 20 0 HHADLM CC(C)(CNC(=O)c1ccc([O-])c(Cl)c1)CNC(=O)c1ccc(O)c(Cl)c1 ZINC000436875252 981598706 /nfs/dbraw/zinc/59/87/06/981598706.db2.gz UGUJIELBQWMUTP-UHFFFAOYSA-N -1 2 411.285 3.591 20 0 HHADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)c(F)c1 ZINC000438773483 983062125 /nfs/dbraw/zinc/06/21/25/983062125.db2.gz SOHJKIUAWFRXEL-UHFFFAOYSA-N -1 2 411.414 3.868 20 0 HHADLM Cc1cc(C(=O)Nc2ccc3nc(C(C)(C)C)sc3c2)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000469599227 987264762 /nfs/dbraw/zinc/26/47/62/987264762.db2.gz RCZPWRGDQXUXMU-UHFFFAOYSA-N -1 2 409.471 3.904 20 0 HHADLM O=C([O-])c1ccc(OC(F)(F)F)c(NS(=O)(=O)c2cccc3cccnc32)c1 ZINC000471972137 990138166 /nfs/dbraw/zinc/13/81/66/990138166.db2.gz FDWRPRHEJJJUMX-UHFFFAOYSA-N -1 2 412.345 3.632 20 0 HHADLM COc1cc(C(=O)[O-])c(F)cc1NS(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000473440004 994289379 /nfs/dbraw/zinc/28/93/79/994289379.db2.gz IJFUDKYPPFKRGI-UHFFFAOYSA-N -1 2 412.197 3.779 20 0 HHADLM Cc1cccc(Oc2ncccc2NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1C ZINC000481959617 994845007 /nfs/dbraw/zinc/84/50/07/994845007.db2.gz AYYLPTYUZHHQCE-UHFFFAOYSA-N -1 2 412.467 3.919 20 0 HHADLM O=S(=O)(CCOc1ccc(F)cc1)[N-]c1cc(Cl)cc(Br)c1O ZINC000484596154 996930461 /nfs/dbraw/zinc/93/04/61/996930461.db2.gz FOBRFXKMWBJWDZ-UHFFFAOYSA-N -1 2 424.675 3.768 20 0 HHADLM COc1ccc(Cl)cc1NS(=O)(=O)c1cc(OC)c(C(=O)[O-])cc1Cl ZINC000485278865 997674121 /nfs/dbraw/zinc/67/41/21/997674121.db2.gz SMVBPIRBAIQSKF-UHFFFAOYSA-N -1 2 406.243 3.510 20 0 HHADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cccc3[nH]ccc32)c(OC(F)(F)F)c1 ZINC000486094064 998541782 /nfs/dbraw/zinc/54/17/82/998541782.db2.gz LNVUNFGTYBAZOD-UHFFFAOYSA-N -1 2 400.334 3.566 20 0 HHADLM CSc1ccccc1S(=O)(=O)Nc1cc(C(=O)[O-])ccc1OC(F)(F)F ZINC000479195830 999321701 /nfs/dbraw/zinc/32/17/01/999321701.db2.gz FIVMEAZBHWPMCH-UHFFFAOYSA-N -1 2 407.391 3.806 20 0 HHADLM Cc1ccc(-n2ncc(NS(=O)(=O)c3ccc(CC(=O)[O-])cc3)c2C(C)C)cc1 ZINC000480208808 999745877 /nfs/dbraw/zinc/74/58/77/999745877.db2.gz KMKYTMJZGZUOOG-UHFFFAOYSA-N -1 2 413.499 3.732 20 0 HHADLM Cc1ccc(-n2ncc(NS(=O)(=O)c3csc(C(=O)[O-])c3)c2C(C)C)cc1 ZINC000480224401 999749651 /nfs/dbraw/zinc/74/96/51/999749651.db2.gz YWEJNMBOKHZBKK-UHFFFAOYSA-N -1 2 405.501 3.865 20 0 HHADLM COCCOc1c(Cl)cccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000489695701 999819180 /nfs/dbraw/zinc/81/91/80/999819180.db2.gz GWXLYAOSDMAIAF-UHFFFAOYSA-N -1 2 420.270 3.518 20 0 HHADLM O=C([O-])c1ccc(-c2nc(=O)c3sc(-c4ccc5c(c4)OCCO5)cc3[nH]2)s1 ZINC000494896533 1000717700 /nfs/dbraw/zinc/71/77/00/1000717700.db2.gz YCJBTVLYKLTRMU-UHFFFAOYSA-N -1 2 412.448 3.850 20 0 HHADLM CCOc1ccc(Oc2ccccc2NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1 ZINC000508446130 1002932769 /nfs/dbraw/zinc/93/27/69/1002932769.db2.gz LZWFLDJJXUGGGB-UHFFFAOYSA-N -1 2 402.428 3.705 20 0 HHADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(Br)c3cccnc23)cs1 ZINC000509396503 1003826804 /nfs/dbraw/zinc/82/68/04/1003826804.db2.gz LCGRDTAOXKNWNG-UHFFFAOYSA-N -1 2 413.274 3.558 20 0 HHADLM Cc1cc(C(=O)Nc2cccc(OCCc3ccccc3)c2)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000501581884 1004532900 /nfs/dbraw/zinc/53/29/00/1004532900.db2.gz PYNNXEFJRYOEEI-UHFFFAOYSA-N -1 2 416.437 3.618 20 0 HHADLM CCCc1c(NS(=O)(=O)c2cccc(CC(=O)[O-])c2)cnn1-c1ccccc1C ZINC000514737216 1006095329 /nfs/dbraw/zinc/09/53/29/1006095329.db2.gz QLZODCGMZAPUEI-UHFFFAOYSA-N -1 2 413.499 3.561 20 0 HHADLM CC(C)Oc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccccc1-c1ccno1 ZINC000547609635 1010363167 /nfs/dbraw/zinc/36/31/67/1010363167.db2.gz UPWJZGQYYOAERK-UHFFFAOYSA-N -1 2 402.428 3.628 20 0 HHADLM COc1cc(C)c(NS(=O)(=O)c2ccc(-c3csc(C)n3)s2)c(C(=O)[O-])c1 ZINC000547614422 1010364330 /nfs/dbraw/zinc/36/43/30/1010364330.db2.gz HYPJMBKMMDQZMX-UHFFFAOYSA-N -1 2 424.525 3.996 20 0 HHADLM O=C([O-])c1ccn(-c2ccccc2NS(=O)(=O)c2cc(Cl)sc2Cl)n1 ZINC000522957652 1011404721 /nfs/dbraw/zinc/40/47/21/1011404721.db2.gz NRNMGKUMYNALFE-UHFFFAOYSA-N -1 2 418.283 3.740 20 0 HHADLM CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cc1Cl ZINC000591681300 1074484168 /nfs/dbraw/zinc/48/41/68/1074484168.db2.gz IUIMUCVFXCPFLA-UHFFFAOYSA-N -1 2 421.233 3.590 20 0 HHADLM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1cccs1 ZINC000057116739 965286812 /nfs/dbraw/zinc/28/68/12/965286812.db2.gz FPECXRBIYKZZNT-UHFFFAOYSA-N -1 2 403.481 3.852 20 0 HHADLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1SC(F)(F)F ZINC000042792311 966849416 /nfs/dbraw/zinc/84/94/16/966849416.db2.gz CBFHTTULUMLEDU-UHFFFAOYSA-N -1 2 407.391 3.806 20 0 HHADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccccc2OC(F)F)c(Br)c1 ZINC000324093300 972719961 /nfs/dbraw/zinc/71/99/61/972719961.db2.gz JXFJQIWKCRTMAL-UHFFFAOYSA-N -1 2 422.203 3.550 20 0 HHADLM CC(C)(C(=O)[O-])c1ccc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2F)cc1 ZINC000427238330 974998474 /nfs/dbraw/zinc/99/84/74/974998474.db2.gz VGJQJJYXDUBPIQ-UHFFFAOYSA-N -1 2 421.368 3.887 20 0 HHADLM CCC(C)(C)OCc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)c1C ZINC000433518988 979353011 /nfs/dbraw/zinc/35/30/11/979353011.db2.gz WANITJIXLFOLEC-UHFFFAOYSA-N -1 2 407.488 3.905 20 0 HHADLM O=C([O-])c1ccc(O)c(S(=O)(=O)Nc2ccc(Oc3ccc(Cl)cc3)nc2)c1 ZINC000436997588 981676163 /nfs/dbraw/zinc/67/61/63/981676163.db2.gz WQVHJFITXYPNOY-UHFFFAOYSA-N -1 2 420.830 3.732 20 0 HHADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)c(F)c1 ZINC000438787921 983070220 /nfs/dbraw/zinc/07/02/20/983070220.db2.gz XDGGWBSHIORCMF-UHFFFAOYSA-N -1 2 417.443 3.701 20 0 HHADLM Cc1cc(C(=O)Nc2ccccc2COCc2ccccc2)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000468402799 986102616 /nfs/dbraw/zinc/10/26/16/986102616.db2.gz RVCIZODATCHQCI-UHFFFAOYSA-N -1 2 416.437 3.714 20 0 HHADLM COc1ccc(Cl)cc1-c1cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2C)n[nH]1 ZINC000466291546 991540808 /nfs/dbraw/zinc/54/08/08/991540808.db2.gz VBUJMQWCKQPKJD-UHFFFAOYSA-N -1 2 421.862 3.546 20 0 HHADLM COc1cc(Cl)c(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2OC)cc1Cl ZINC000484537988 996870895 /nfs/dbraw/zinc/87/08/95/996870895.db2.gz JHKYODAOILPMNJ-UHFFFAOYSA-N -1 2 406.243 3.510 20 0 HHADLM CCCOc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccccc1OC(F)(F)F ZINC000484985154 997347973 /nfs/dbraw/zinc/34/79/73/997347973.db2.gz HWKRUZYTVNABRB-UHFFFAOYSA-N -1 2 419.377 3.873 20 0 HHADLM Cc1c(NS(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)cnn1-c1ccccc1F ZINC000479279896 999362301 /nfs/dbraw/zinc/36/23/01/999362301.db2.gz KNWARCNQNYHOPE-UHFFFAOYSA-N -1 2 423.853 3.781 20 0 HHADLM CCc1c(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cnn1-c1ccccc1C ZINC000480244978 999755135 /nfs/dbraw/zinc/75/51/35/999755135.db2.gz HXUWYBPKTSVAFK-UHFFFAOYSA-N -1 2 405.501 3.612 20 0 HHADLM COc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1ccccc1C(F)(F)F ZINC000505124899 1000563003 /nfs/dbraw/zinc/56/30/03/1000563003.db2.gz POLYDLFWZRNJMI-UHFFFAOYSA-N -1 2 409.769 3.866 20 0 HHADLM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000506619753 1001473330 /nfs/dbraw/zinc/47/33/30/1001473330.db2.gz YZCHSOVADKPRFS-UHFFFAOYSA-N -1 2 418.254 3.587 20 0 HHADLM Cc1nn(-c2ccccc2)cc1NS(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C ZINC000510098386 1004322435 /nfs/dbraw/zinc/32/24/35/1004322435.db2.gz HICNAMURKMNXCY-UHFFFAOYSA-N -1 2 405.863 3.642 20 0 HHADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2cccc(OCC(F)(F)F)c2C)c1 ZINC000512731337 1004523566 /nfs/dbraw/zinc/52/35/66/1004523566.db2.gz XSYGZRABKCNSEA-UHFFFAOYSA-N -1 2 421.368 3.883 20 0 HHADLM Cc1nc(-c2ccc(NC(=O)NCc3ccc(Cn4cc[nH+]c4)cc3)cc2)cc(=O)[nH]1 ZINC000504084842 1005549200 /nfs/dbraw/zinc/54/92/00/1005549200.db2.gz MBOPBRNZTTWRQF-UHFFFAOYSA-N -1 2 414.469 3.724 20 0 HHADLM C[NH+](C)C[C@@H](NC(=O)N=c1nc(-c2ccccc2)[nH]s1)c1ccc(Cl)cc1 ZINC000549233758 1008803912 /nfs/dbraw/zinc/80/39/12/1008803912.db2.gz JLECUYIQYIVAKG-MRXNPFEDSA-N -1 2 401.923 3.705 20 0 HHADLM Cc1cccc(S(=O)(=O)Nc2ccc(Cc3nc(C(=O)[O-])cs3)cc2)c1F ZINC000544099643 1009710505 /nfs/dbraw/zinc/71/05/05/1009710505.db2.gz VRZMCBMBAPWESB-UHFFFAOYSA-N -1 2 406.460 3.680 20 0 HHADLM Cc1ccc(F)c(S(=O)(=O)Nc2cc(Br)c(C)c(C(=O)[O-])c2)c1 ZINC000551116910 1010380620 /nfs/dbraw/zinc/38/06/20/1010380620.db2.gz NKAUYVALRQVZMG-UHFFFAOYSA-N -1 2 402.241 3.704 20 0 HHADLM Cc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)c1cccc(Br)c1F ZINC000540983050 1011617937 /nfs/dbraw/zinc/61/79/37/1011617937.db2.gz LAFPMPVTTBFZNT-UHFFFAOYSA-N -1 2 406.204 3.535 20 0 HHADLM COc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1ccccc1-c1ccno1 ZINC000541078083 1011718667 /nfs/dbraw/zinc/71/86/67/1011718667.db2.gz GWJVSBZSDLCVAN-UHFFFAOYSA-N -1 2 408.819 3.503 20 0 HHADLM C[C@H](Cc1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2F)cc1)C(=O)[O-] ZINC000542733917 1013645994 /nfs/dbraw/zinc/64/59/94/1013645994.db2.gz JQYMXDFEVGDAOK-SNVBAGLBSA-N -1 2 405.369 3.909 20 0 HHADLM COc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cc1Cl ZINC000109410950 969514709 /nfs/dbraw/zinc/51/47/09/969514709.db2.gz CXNYKKDYRYZKDT-UHFFFAOYSA-N -1 2 424.233 3.649 20 0 HHADLM Cc1ccc([N-]S(=O)(=O)c2ccsc2C(=O)Nc2nnc(C3CC3)s2)cc1 ZINC000109916184 969593568 /nfs/dbraw/zinc/59/35/68/969593568.db2.gz XCRXQQZCYISJEO-UHFFFAOYSA-N -1 2 420.541 3.839 20 0 HHADLM CC(C)Oc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1Br ZINC000324882041 972726684 /nfs/dbraw/zinc/72/66/84/972726684.db2.gz RMMYZJMPLQBPPF-UHFFFAOYSA-N -1 2 414.277 3.735 20 0 HHADLM N#Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])sc2Br)ccc1Cl ZINC000386975265 972801045 /nfs/dbraw/zinc/80/10/45/972801045.db2.gz YEXLKHYMXJZCPH-UHFFFAOYSA-N -1 2 421.681 3.535 20 0 HHADLM CCCc1c(NS(=O)(=O)c2cccc(C(=O)[O-])c2C)cnn1-c1ccccc1C ZINC000432052720 978662007 /nfs/dbraw/zinc/66/20/07/978662007.db2.gz LWTBCGFCYVJYHK-UHFFFAOYSA-N -1 2 413.499 3.941 20 0 HHADLM Cc1cc(OCc2ccccc2)ccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000433507510 979344636 /nfs/dbraw/zinc/34/46/36/979344636.db2.gz RQXYYBDNTHOOIC-UHFFFAOYSA-N -1 2 413.451 3.779 20 0 HHADLM CC[N@@H+]1CC[C@H](NC(=O)c2cc(NC(C)=O)ccc2O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000436813572 981572890 /nfs/dbraw/zinc/57/28/90/981572890.db2.gz FALVZVHDJPEFKE-AZUAARDMSA-N -1 2 419.884 3.708 20 0 HHADLM O=C([O-])c1ccc(O)c(S(=O)(=O)Nc2cccc(COC3CCCCC3)c2)c1 ZINC000436996210 981675046 /nfs/dbraw/zinc/67/50/46/981675046.db2.gz SUGXLNLRZZJYNT-UHFFFAOYSA-N -1 2 405.472 3.741 20 0 HHADLM Cc1c(S(=O)(=O)Nc2c(C)cccc2C(=O)[O-])cnn1-c1ccc(Cl)cc1 ZINC000460460404 982254328 /nfs/dbraw/zinc/25/43/28/982254328.db2.gz PPMPWGBPVTZCSA-UHFFFAOYSA-N -1 2 405.863 3.642 20 0 HHADLM Cc1cc(C(=O)Nc2cccc(COc3ccccc3)c2C)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000471443743 989628405 /nfs/dbraw/zinc/62/84/05/989628405.db2.gz NPMADFWJVDNIFB-UHFFFAOYSA-N -1 2 416.437 3.884 20 0 HHADLM Cc1ccc(NS(=O)(=O)c2cc(F)c(C)cc2F)c(SCCC(=O)[O-])c1 ZINC000484503918 996832053 /nfs/dbraw/zinc/83/20/53/996832053.db2.gz TUZJFKLQXYDDBS-UHFFFAOYSA-N -1 2 401.456 3.949 20 0 HHADLM CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2cc(C)cc(C)c2C(=O)[O-])cc1Cl ZINC000476411363 996872705 /nfs/dbraw/zinc/87/27/05/996872705.db2.gz OUDYWOGRYMERKV-UHFFFAOYSA-N -1 2 414.842 3.553 20 0 HHADLM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N[C@H](c2ccccc2)c2ccccn2)n1 ZINC000484709621 997048661 /nfs/dbraw/zinc/04/86/61/997048661.db2.gz MZBHVZWMGOOWOS-OAQYLSRUSA-N -1 2 402.429 3.940 20 0 HHADLM Cc1cc(NS(=O)(=O)c2cc(Br)sc2Cl)ccc1C(=O)[O-] ZINC000484779648 997126459 /nfs/dbraw/zinc/12/64/59/997126459.db2.gz WWPASEYGIDXBFV-UHFFFAOYSA-N -1 2 410.698 3.971 20 0 HHADLM O=C([O-])c1cc(NS(=O)(=O)c2cc(F)c(F)cc2F)cc(Cl)c1Cl ZINC000485086508 997458695 /nfs/dbraw/zinc/45/86/95/997458695.db2.gz NVHJWXSICPGJBB-UHFFFAOYSA-N -1 2 400.161 3.910 20 0 HHADLM C[C@H](Cc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2F)cc1)C(=O)[O-] ZINC000479198089 999322461 /nfs/dbraw/zinc/32/24/61/999322461.db2.gz IKERLVIBXPAECA-SNVBAGLBSA-N -1 2 405.369 3.909 20 0 HHADLM O=C([O-])c1ccc(NS(=O)(=O)c2cnccc2C(F)(F)F)cc1C(F)(F)F ZINC000479203277 999324601 /nfs/dbraw/zinc/32/46/01/999324601.db2.gz WCYHPJLYUWCHJM-UHFFFAOYSA-N -1 2 414.283 3.618 20 0 HHADLM CCc1c(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)cnn1-c1ccccc1C ZINC000480198628 999742766 /nfs/dbraw/zinc/74/27/66/999742766.db2.gz IQYDNAGYPBCEFJ-UHFFFAOYSA-N -1 2 417.462 3.690 20 0 HHADLM O=C([O-])c1ccc(NS(=O)(=O)c2cnc3ccccc3c2)c(OC(F)(F)F)c1 ZINC000509383943 1003811956 /nfs/dbraw/zinc/81/19/56/1003811956.db2.gz KBHXUBRUWBQMAI-UHFFFAOYSA-N -1 2 412.345 3.632 20 0 HHADLM Cc1cc(S(=O)(=O)Nc2ccc(Sc3ncccn3)cc2C)sc1C(=O)[O-] ZINC000509543278 1003934712 /nfs/dbraw/zinc/93/47/12/1003934712.db2.gz QJGWQRPCZFYBPG-UHFFFAOYSA-N -1 2 421.525 3.805 20 0 HHADLM Cc1coc(-c2ccc(C)c(NS(=O)(=O)c3cc(C)cc(C(=O)[O-])c3F)c2)n1 ZINC000512756983 1004540037 /nfs/dbraw/zinc/54/00/37/1004540037.db2.gz BGQOBKSVEXQNAQ-UHFFFAOYSA-N -1 2 404.419 3.905 20 0 HHADLM Cc1cc(F)c(S(=O)(=O)Nc2cc(Br)cc(C(=O)[O-])c2)cc1F ZINC000512772135 1004551025 /nfs/dbraw/zinc/55/10/25/1004551025.db2.gz VRZPSYBEAUASKO-UHFFFAOYSA-N -1 2 406.204 3.535 20 0 HHADLM O=C([O-])CCC(=O)Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000514714662 1006091370 /nfs/dbraw/zinc/09/13/70/1006091370.db2.gz CSFAXMKBPBSHRK-UHFFFAOYSA-N -1 2 417.270 3.598 20 0 HHADLM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cn(CC(C)C)nc1C(F)F ZINC000534169608 1006152682 /nfs/dbraw/zinc/15/26/82/1006152682.db2.gz VEZVNOPMRXQEBV-UHFFFAOYSA-N -1 2 401.435 3.538 20 0 HHADLM Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)Nc1cn(CC(C)C)nc1C(F)F ZINC000534902719 1006934412 /nfs/dbraw/zinc/93/44/12/1006934412.db2.gz UIJSCPANJGGHSZ-UHFFFAOYSA-N -1 2 421.853 3.938 20 0 HHADLM Cc1cc(C(=O)Nc2ccc(COc3ccccc3)cc2)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000540225224 1008343218 /nfs/dbraw/zinc/34/32/18/1008343218.db2.gz LZSYZRLXFRNNKN-UHFFFAOYSA-N -1 2 402.410 3.576 20 0 HHADLM Cc1cc(C(=O)Nc2ccccc2NCC2CCCCC2)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000543920500 1009512415 /nfs/dbraw/zinc/51/24/15/1009512415.db2.gz ZOWCNZPHRQDTHM-UHFFFAOYSA-N -1 2 407.474 3.989 20 0 HHADLM CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2c(C)cc(C)cc2C(=O)[O-])cc1Cl ZINC000520627306 1009704082 /nfs/dbraw/zinc/70/40/82/1009704082.db2.gz JMGULYIGTKGFSO-UHFFFAOYSA-N -1 2 414.842 3.553 20 0 HHADLM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000544100213 1009710211 /nfs/dbraw/zinc/71/02/11/1009710211.db2.gz FQZMBVQBDFULHZ-UHFFFAOYSA-N -1 2 419.425 3.674 20 0 HHADLM O=C([O-])c1ccc(Oc2ccc(Cl)cc2)c(NS(=O)(=O)C[C@H]2CCCO2)c1 ZINC000522795647 1011228251 /nfs/dbraw/zinc/22/82/51/1011228251.db2.gz WXUFRISOAOVYIS-OAHLLOKOSA-N -1 2 411.863 3.751 20 0 HHADLM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000541305915 1012010294 /nfs/dbraw/zinc/01/02/94/1012010294.db2.gz BXKBSXFMLNMZQQ-UHFFFAOYSA-N -1 2 420.318 3.962 20 0 HHADLM C[C@@H](CC(=O)[O-])c1ccc(NS(=O)(=O)c2cc(Br)ccc2F)cc1 ZINC000541307680 1012014805 /nfs/dbraw/zinc/01/48/05/1012014805.db2.gz ORCIOHLPYIMJKH-JTQLQIEISA-N -1 2 416.268 3.967 20 0 HHADLM Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000523730385 1012346715 /nfs/dbraw/zinc/34/67/15/1012346715.db2.gz QTENTOZUZKLPAJ-UHFFFAOYSA-N -1 2 405.398 3.599 20 0 HHADLM Cc1cc(S(=O)(=O)Nc2ccc(-n3cnc4ccccc43)cc2)sc1C(=O)[O-] ZINC000109988367 969605856 /nfs/dbraw/zinc/60/58/56/969605856.db2.gz ZPDBNYAIAQDRLI-UHFFFAOYSA-N -1 2 413.480 3.894 20 0 HHADLM Cc1cc(Br)c(F)cc1NS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000325783698 972735248 /nfs/dbraw/zinc/73/52/48/972735248.db2.gz HLSWZDHPQZIHPA-UHFFFAOYSA-N -1 2 424.194 3.674 20 0 HHADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(C(F)(F)F)nc2)c(Cl)cc1Cl ZINC000327003350 972752437 /nfs/dbraw/zinc/75/24/37/972752437.db2.gz BUVLVEZAWMQYMY-UHFFFAOYSA-N -1 2 415.176 3.906 20 0 HHADLM Cc1cc(S(=O)(=O)Nc2cc(Br)c(F)cc2C)sc1C(=O)[O-] ZINC000389284410 972812033 /nfs/dbraw/zinc/81/20/33/972812033.db2.gz VNSLHWRQQWKCIX-UHFFFAOYSA-N -1 2 408.270 3.766 20 0 HHADLM O=C([O-])c1cc(NS(=O)(=O)c2c(Cl)cccc2Br)ccc1F ZINC000389824917 972814964 /nfs/dbraw/zinc/81/49/64/972814964.db2.gz RXDJTYMPTJKWLR-UHFFFAOYSA-N -1 2 408.632 3.741 20 0 HHADLM O=C([O-])CCCc1ccc(NS(=O)(=O)c2cccc(Br)c2F)cc1 ZINC000410378237 973976009 /nfs/dbraw/zinc/97/60/09/973976009.db2.gz BESZLFFDEPLETM-UHFFFAOYSA-N -1 2 416.268 3.796 20 0 HHADLM CCCc1c(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cnn1-c1ccc(F)cc1 ZINC000432082739 978673226 /nfs/dbraw/zinc/67/32/26/978673226.db2.gz UUBUWLKDYPGCIX-UHFFFAOYSA-N -1 2 421.425 3.602 20 0 HHADLM Cc1ccnc(Oc2cc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3O)ccc2C)c1 ZINC000433521848 979355592 /nfs/dbraw/zinc/35/55/92/979355592.db2.gz WTXUAKJSBPICRI-UHFFFAOYSA-N -1 2 414.439 3.695 20 0 HHADLM COc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc(Br)ccc1Cl ZINC000462100220 985070802 /nfs/dbraw/zinc/07/08/02/985070802.db2.gz HGYAHGXDOHFWAT-UHFFFAOYSA-N -1 2 420.668 3.610 20 0 HHADLM COc1ccc(Br)c(C(=O)[O-])c1NS(=O)(=O)c1ccccc1Cl ZINC000462102037 985072733 /nfs/dbraw/zinc/07/27/33/985072733.db2.gz NFKPGSDKPGPATP-UHFFFAOYSA-N -1 2 420.668 3.610 20 0 HHADLM O=C([O-])c1ccc(NS(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)c(O)c1 ZINC000468521368 986225153 /nfs/dbraw/zinc/22/51/53/986225153.db2.gz CQZQUFRIERETEC-UHFFFAOYSA-N -1 2 411.863 3.724 20 0 HHADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C)cc1OCc1ccccc1 ZINC000467749917 992996906 /nfs/dbraw/zinc/99/69/06/992996906.db2.gz SVVGQYKNEAJZPS-UHFFFAOYSA-N -1 2 401.440 3.974 20 0 HHADLM C[NH+](C)Cc1ccc(NS(=O)(=O)c2ccc(OCC(F)(F)F)nc2)cc1Cl ZINC000481876052 994740387 /nfs/dbraw/zinc/74/03/87/994740387.db2.gz RCPCHVHIFVRLEW-UHFFFAOYSA-N -1 2 423.844 3.539 20 0 HHADLM Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)Nc1cnc(-c2ccccc2)nc1 ZINC000476259095 996712186 /nfs/dbraw/zinc/71/21/86/996712186.db2.gz LMPLTWABROMLDG-UHFFFAOYSA-N -1 2 403.847 3.604 20 0 HHADLM CC(C)c1c(NS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cnn1-c1ccccc1 ZINC000486109853 998557182 /nfs/dbraw/zinc/55/71/82/998557182.db2.gz PEUTUCXCOYDOIN-UHFFFAOYSA-N -1 2 403.435 3.634 20 0 HHADLM O=C([O-])c1cc(NS(=O)(=O)c2cnccc2C(F)(F)F)cc(Cl)c1Cl ZINC000479200763 999323571 /nfs/dbraw/zinc/32/35/71/999323571.db2.gz WIZUZEPBHXKZNK-UHFFFAOYSA-N -1 2 415.176 3.906 20 0 HHADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cnn(-c3ccc(Cl)cc3)c2)cc1Cl ZINC000479542962 999469545 /nfs/dbraw/zinc/46/95/45/999469545.db2.gz PAVRJMOLNRPZCI-UHFFFAOYSA-N -1 2 412.254 3.678 20 0 HHADLM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1ccc(S[C@@H](C)C(=O)[O-])cc1 ZINC000504666378 1000316476 /nfs/dbraw/zinc/31/64/76/1000316476.db2.gz SJVUOIVGWGJCQW-AWEZNQCLSA-N -1 2 411.549 3.522 20 0 HHADLM COc1cc(C)ccc1Oc1ccc(F)cc1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000509615818 1003982612 /nfs/dbraw/zinc/98/26/12/1003982612.db2.gz VMRIGGRXRYTBOF-UHFFFAOYSA-N -1 2 420.418 3.762 20 0 HHADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2ccc(Br)cc2C)c1 ZINC000512772257 1004550646 /nfs/dbraw/zinc/55/06/46/1004550646.db2.gz XKWJVQGZNJAQOB-UHFFFAOYSA-N -1 2 402.241 3.704 20 0 HHADLM CC[C@H](C)n1ncc(NS(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)c1C1CC1 ZINC000534234285 1006235127 /nfs/dbraw/zinc/23/51/27/1006235127.db2.gz FMTHIGMEQCCUKZ-LBPRGKRZSA-N -1 2 403.504 3.719 20 0 HHADLM CC[C@H](C)n1ncc(NS(=O)(=O)c2ccc(C(=O)CCC(=O)[O-])cc2)c1C1CC1 ZINC000534236814 1006241330 /nfs/dbraw/zinc/24/13/30/1006241330.db2.gz FQYPZDRCEMJTBH-ZDUSSCGKSA-N -1 2 419.503 3.580 20 0 HHADLM CC[C@@H](C)n1ncc(NS(=O)(=O)c2ccc(C(=O)CCC(=O)[O-])cc2)c1C1CC1 ZINC000534236797 1006241861 /nfs/dbraw/zinc/24/18/61/1006241861.db2.gz FQYPZDRCEMJTBH-CYBMUJFWSA-N -1 2 419.503 3.580 20 0 HHADLM CCCNc1ccc(C(F)(F)F)cc1NC(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[n-]1 ZINC000531579100 1006283496 /nfs/dbraw/zinc/28/34/96/1006283496.db2.gz UJFKUBRGWMXGIG-UHFFFAOYSA-N -1 2 421.379 3.837 20 0 HHADLM CCSc1ccc(Cl)cc1NS(=O)(=O)c1cc(CC(=O)[O-])ccc1OC ZINC000520626381 1009703119 /nfs/dbraw/zinc/70/31/19/1009703119.db2.gz LAZVNJABQGJQKT-UHFFFAOYSA-N -1 2 415.920 3.889 20 0 HHADLM Cc1ccc(F)c(S(=O)(=O)Nc2ccc(Cc3nc(C(=O)[O-])cs3)cc2)c1 ZINC000544099610 1009710145 /nfs/dbraw/zinc/71/01/45/1009710145.db2.gz TXRXDGKTPMSWRT-UHFFFAOYSA-N -1 2 406.460 3.680 20 0 HHADLM Cc1c(Br)ccc(C(=O)[O-])c1NS(=O)(=O)c1cccc(F)c1F ZINC000547609437 1010362869 /nfs/dbraw/zinc/36/28/69/1010362869.db2.gz RPRFLMQKOXBYIB-UHFFFAOYSA-N -1 2 406.204 3.535 20 0 HHADLM CCCOc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1c[nH]c2nccc(Cl)c12 ZINC000547611860 1010363787 /nfs/dbraw/zinc/36/37/87/1010363787.db2.gz WFJNUIFUFRWBMH-UHFFFAOYSA-N -1 2 409.851 3.504 20 0 HHADLM Cc1nc(-c2ccc(S(=O)(=O)Nc3ccc(N(C)C)cc3C(=O)[O-])s2)cs1 ZINC000548539124 1010659794 /nfs/dbraw/zinc/65/97/94/1010659794.db2.gz PNZYBWAGVGZELU-UHFFFAOYSA-N -1 2 423.541 3.745 20 0 HHADLM C[C@H](CC(=O)[O-])c1ccc(NS(=O)(=O)c2cc(Br)ccc2F)cc1 ZINC000541307681 1012015251 /nfs/dbraw/zinc/01/52/51/1012015251.db2.gz ORCIOHLPYIMJKH-SNVBAGLBSA-N -1 2 416.268 3.967 20 0 HHADLM Cc1cc(S(=O)(=O)Nc2ccc(OCc3ccncc3)cc2)sc1C(=O)[O-] ZINC000591683312 1074486295 /nfs/dbraw/zinc/48/62/95/1074486295.db2.gz VJYHREREIRHRMW-UHFFFAOYSA-N -1 2 404.469 3.530 20 0 HHADLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(Oc2ccc(C)cc2)nc1 ZINC000055621669 965968780 /nfs/dbraw/zinc/96/87/80/965968780.db2.gz PRVVBGFXSLFDLZ-UHFFFAOYSA-N -1 2 414.439 3.690 20 0 HHADLM CCc1ccccc1NS(=O)(=O)c1cc(Br)cc(C(=O)[O-])c1F ZINC000319976419 972674846 /nfs/dbraw/zinc/67/48/46/972674846.db2.gz KESJRFCFPSAZDI-UHFFFAOYSA-N -1 2 402.241 3.650 20 0 HHADLM Cc1cc(F)c(Br)cc1NS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000325939647 972736883 /nfs/dbraw/zinc/73/68/83/972736883.db2.gz XJNCJHMHZIFVKA-UHFFFAOYSA-N -1 2 424.194 3.674 20 0 HHADLM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(C(F)F)c2)c(Br)s1 ZINC000386341269 972799242 /nfs/dbraw/zinc/79/92/42/972799242.db2.gz RVYZOVVUTXJQGK-UHFFFAOYSA-N -1 2 412.233 3.947 20 0 HHADLM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cncc3ccccc32)c1Br ZINC000396419330 972868662 /nfs/dbraw/zinc/86/86/62/972868662.db2.gz FBPPMNZJWDLBKH-UHFFFAOYSA-N -1 2 421.272 3.805 20 0 HHADLM Cc1ccc2cccnc2c1S(=O)(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC000410398748 973998411 /nfs/dbraw/zinc/99/84/11/973998411.db2.gz AUQHZOVVMMIPAU-UHFFFAOYSA-N -1 2 400.456 3.829 20 0 HHADLM CCCc1c(NS(=O)(=O)c2cccc(C(=O)[O-])c2C)cnn1-c1ccc(F)cc1 ZINC000432047123 978660424 /nfs/dbraw/zinc/66/04/24/978660424.db2.gz GQFCEDUSKJXTBN-UHFFFAOYSA-N -1 2 417.462 3.771 20 0 HHADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cccc(NC(=O)c3cccs3)c2)c(F)c1 ZINC000438809573 983084547 /nfs/dbraw/zinc/08/45/47/983084547.db2.gz INGBUYGVAKVOJE-UHFFFAOYSA-N -1 2 420.443 3.639 20 0 HHADLM COc1cccc(Oc2ccc(NC(=O)c3cc(C)c4c(=O)[nH]c(=O)nc-4[n-]3)cc2)c1 ZINC000468095308 985754045 /nfs/dbraw/zinc/75/40/45/985754045.db2.gz CLHNIFLRWBLVSZ-UHFFFAOYSA-N -1 2 418.409 3.798 20 0 HHADLM Cc1ccc(SCC(F)(F)F)c(NC(=O)c2cc(C)c3c(=O)[nH]c(=O)nc-3[n-]2)c1 ZINC000467549746 992828164 /nfs/dbraw/zinc/82/81/64/992828164.db2.gz CKKGQGCQDOVDEU-UHFFFAOYSA-N -1 2 424.404 3.960 20 0 HHADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cccnc1Oc1cccc(C)c1C ZINC000467757853 993002416 /nfs/dbraw/zinc/00/24/16/993002416.db2.gz YUQOYUJTVGJNPK-UHFFFAOYSA-N -1 2 402.428 3.891 20 0 HHADLM O=C([O-])c1cccc(S(=O)(=O)Nc2cnn(-c3ccc(Cl)cc3Cl)c2)c1 ZINC000473439236 994289065 /nfs/dbraw/zinc/28/90/65/994289065.db2.gz XTQUQFNKXDFKSO-UHFFFAOYSA-N -1 2 412.254 3.678 20 0 HHADLM O=C([O-])c1cc(Br)cc(S(=O)(=O)Nc2cccc3[nH]ccc32)c1F ZINC000485107356 997487506 /nfs/dbraw/zinc/48/75/06/997487506.db2.gz VJPCYJVLMYDFNQ-UHFFFAOYSA-N -1 2 413.224 3.569 20 0 HHADLM CC[C@H](Cc1ccc(NS(=O)(=O)c2cnccc2C(F)(F)F)cc1)C(=O)[O-] ZINC000479187819 999317067 /nfs/dbraw/zinc/31/70/67/999317067.db2.gz KMANMEVSUKIFPQ-GFCCVEGCSA-N -1 2 402.394 3.555 20 0 HHADLM CCc1ccc(S(=O)(=O)Nc2cnn(-c3ccc(Cl)cc3)c2)cc1C(=O)[O-] ZINC000479537915 999466733 /nfs/dbraw/zinc/46/67/33/999466733.db2.gz HUGUKYJWZYLGKB-UHFFFAOYSA-N -1 2 405.863 3.587 20 0 HHADLM CC[C@@H](Cc1ccc(NS(=O)(=O)c2cccnc2C(F)(F)F)cc1)C(=O)[O-] ZINC000489313660 999743985 /nfs/dbraw/zinc/74/39/85/999743985.db2.gz NSSBGRWKXLODSM-LBPRGKRZSA-N -1 2 402.394 3.555 20 0 HHADLM CCc1c(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)cnn1-c1cccc(Cl)c1 ZINC000480240154 999753913 /nfs/dbraw/zinc/75/39/13/999753913.db2.gz HMDGHHUZWQIDTM-UHFFFAOYSA-N -1 2 419.890 3.516 20 0 HHADLM Cc1ccc(S(=O)(=O)Nc2ccn(-c3ccccc3Cl)n2)c(C)c1C(=O)[O-] ZINC000512728693 1004522468 /nfs/dbraw/zinc/52/24/68/1004522468.db2.gz HJFYOIBQDCIVES-UHFFFAOYSA-N -1 2 405.863 3.642 20 0 HHADLM Cc1ccc(-c2cncc(F)c2)cc1NC(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[n-]1 ZINC000512756973 1004540199 /nfs/dbraw/zinc/54/01/99/1004540199.db2.gz BBTUOBUNJXVPHM-UHFFFAOYSA-N -1 2 405.389 3.506 20 0 HHADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2cccc(OCc3cscn3)c2)c1 ZINC000512775787 1004552886 /nfs/dbraw/zinc/55/28/86/1004552886.db2.gz CKFZGAZTXJGPDU-UHFFFAOYSA-N -1 2 422.459 3.669 20 0 HHADLM Cc1cc(C(=O)Nc2ccc(Br)cc2C(C)C)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000534204549 1006196660 /nfs/dbraw/zinc/19/66/60/1006196660.db2.gz WNDSLWJGYMFKCR-UHFFFAOYSA-N -1 2 417.263 3.883 20 0 HHADLM O=S(=O)(CCOc1ccc(F)cc1)[N-]c1cc(Br)cc(Cl)c1O ZINC000535613497 1007620242 /nfs/dbraw/zinc/62/02/42/1007620242.db2.gz QEXKTODNPATUNW-UHFFFAOYSA-N -1 2 424.675 3.768 20 0 HHADLM COc1cc(C)c(Br)cc1NS(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000545904242 1008988301 /nfs/dbraw/zinc/98/83/01/1008988301.db2.gz LTYJKFCRHFCYOS-UHFFFAOYSA-N -1 2 420.306 3.635 20 0 HHADLM COC(=O)c1sc2ccccc2c1S(=O)(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC000547555961 1010348401 /nfs/dbraw/zinc/34/84/01/1010348401.db2.gz SXSOLOJUIPOSBB-UHFFFAOYSA-N -1 2 419.480 3.804 20 0 HHADLM C[C@H](C(F)(F)F)S(=O)(=O)N[C@@H](CC(=O)[O-])c1cccc(Oc2ccccc2)c1 ZINC000548526658 1010656622 /nfs/dbraw/zinc/65/66/22/1010656622.db2.gz LQKKDIBVHBUMBT-WBMJQRKESA-N -1 2 417.405 3.865 20 0 HHADLM Cc1ccnc2c1cccc2S(=O)(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC000548611230 1010681693 /nfs/dbraw/zinc/68/16/93/1010681693.db2.gz JFJLPTGLKRAVKP-UHFFFAOYSA-N -1 2 400.456 3.829 20 0 HHADLM O=C([O-])c1cc2c(c(S(=O)(=O)Nc3cccnc3OCc3ccccc3)c1)CCC2 ZINC000591682616 1074486195 /nfs/dbraw/zinc/48/61/95/1074486195.db2.gz HFAAYKHUFYENCC-UHFFFAOYSA-N -1 2 424.478 3.648 20 0 HHADLM O=C([O-])c1csc(Cc2ccc(NS(=O)(=O)c3cccc(F)c3F)cc2)n1 ZINC000542233344 1013188585 /nfs/dbraw/zinc/18/85/85/1013188585.db2.gz MNVSTYOCVYQWPA-UHFFFAOYSA-N -1 2 410.423 3.511 20 0 HHADLM O=C([O-])c1ccc(Br)c(S(=O)(=O)Nc2ccccc2OC(F)F)c1 ZINC000013265009 962382497 /nfs/dbraw/zinc/38/24/97/962382497.db2.gz XVEROGWHPCEAJE-UHFFFAOYSA-N -1 2 422.203 3.550 20 0 HHADLM CCOc1ccc(OCC)c(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c1 ZINC000063877241 966984540 /nfs/dbraw/zinc/98/45/40/966984540.db2.gz QECHDRBMQYNFFP-UHFFFAOYSA-N -1 2 417.842 3.776 20 0 HHADLM COc1cc(Cl)c(C)cc1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000109417868 969515872 /nfs/dbraw/zinc/51/58/72/969515872.db2.gz IJLBJCMGTWFSNU-UHFFFAOYSA-N -1 2 408.234 3.949 20 0 HHADLM Cc1cc(S(=O)(=O)Nc2cccc(NC(=O)OCC(C)C)c2)sc1C(=O)[O-] ZINC000146212923 970284044 /nfs/dbraw/zinc/28/40/44/970284044.db2.gz VHQMEKWMTOTFGX-UHFFFAOYSA-N -1 2 412.489 3.760 20 0 HHADLM CCc1ccc(NS(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2F)cc1 ZINC000320197933 972678242 /nfs/dbraw/zinc/67/82/42/972678242.db2.gz QXGAJGGUIOLMNF-UHFFFAOYSA-N -1 2 402.241 3.650 20 0 HHADLM C[C@@H](CC(=O)[O-])c1ccc(NS(=O)(=O)c2ccc(Br)cc2F)cc1 ZINC000326400707 972742581 /nfs/dbraw/zinc/74/25/81/972742581.db2.gz HUKZUOAUPWVYCM-JTQLQIEISA-N -1 2 416.268 3.967 20 0 HHADLM CC(C)Oc1ccccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1Br ZINC000392154479 972848912 /nfs/dbraw/zinc/84/89/12/972848912.db2.gz FBBOKILKZMXFEH-UHFFFAOYSA-N -1 2 414.277 3.735 20 0 HHADLM O=C([O-])CCC(=O)c1cccc(NS(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000469264104 986982988 /nfs/dbraw/zinc/98/29/88/986982988.db2.gz XVMPIRGOWWMGAJ-UHFFFAOYSA-N -1 2 402.255 3.842 20 0 HHADLM Cc1cc(C(=O)Nc2ccc(OCc3ccccc3F)cc2)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000469316751 987028264 /nfs/dbraw/zinc/02/82/64/987028264.db2.gz PNOHHXPTZPULSK-UHFFFAOYSA-N -1 2 420.400 3.715 20 0 HHADLM CCc1cccc(Oc2ccc(NS(=O)(=O)c3cc(C(=O)[O-])oc3C)cn2)c1 ZINC000467755833 993000888 /nfs/dbraw/zinc/00/08/88/993000888.db2.gz SSUFBUYUQOZEJN-UHFFFAOYSA-N -1 2 402.428 3.837 20 0 HHADLM COc1ccc(CCC(=O)[O-])cc1NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000484988245 997350328 /nfs/dbraw/zinc/35/03/28/997350328.db2.gz PKVPFMQZZHJESK-UHFFFAOYSA-N -1 2 404.271 3.820 20 0 HHADLM CCCOc1cc(C)ccc1NS(=O)(=O)c1cc(OC)c(C(=O)[O-])cc1Cl ZINC000485272562 997667754 /nfs/dbraw/zinc/66/77/54/997667754.db2.gz JDGWCMKOCNGVHB-UHFFFAOYSA-N -1 2 413.879 3.945 20 0 HHADLM Cc1nn(-c2ccccc2)cc1NS(=O)(=O)c1cc(Cl)c(C)c(C(=O)[O-])c1 ZINC000479262507 999353042 /nfs/dbraw/zinc/35/30/42/999353042.db2.gz WJWFJQMAZMOYCH-UHFFFAOYSA-N -1 2 405.863 3.642 20 0 HHADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccccc2OCc2cscn2)c(Cl)c1 ZINC000489699460 999819956 /nfs/dbraw/zinc/81/99/56/999819956.db2.gz BEFTZOOTQZBFKH-UHFFFAOYSA-N -1 2 424.887 3.875 20 0 HHADLM CCc1c(NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)cnn1CCC(C)C ZINC000491571261 1000084497 /nfs/dbraw/zinc/08/44/97/1000084497.db2.gz BOWSRZGRMTWPOT-UHFFFAOYSA-N -1 2 413.927 3.952 20 0 HHADLM CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cc(Br)ccc1F ZINC000500316430 1003619992 /nfs/dbraw/zinc/61/99/92/1003619992.db2.gz OCHKYBMPWHIRPC-UHFFFAOYSA-N -1 2 420.281 3.809 20 0 HHADLM Cn1ncc2c1[nH]cc(C(=O)N1CCC(c3ccccc3C(F)(F)F)CC1)c2=O ZINC000512193747 1004095201 /nfs/dbraw/zinc/09/52/01/1004095201.db2.gz TUNGUQLFTDLROH-UHFFFAOYSA-N -1 2 404.392 3.713 20 0 HHADLM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cnn(CC(C)C)c2C(F)F)c1C ZINC000535508636 1007564353 /nfs/dbraw/zinc/56/43/53/1007564353.db2.gz UVSDULMFTOTSAP-UHFFFAOYSA-N -1 2 401.435 3.593 20 0 HHADLM CCCc1ccc(Cl)c(S(=O)(=O)Nc2cc(F)c(C(=O)[O-])cc2OC)c1 ZINC000551107437 1010372824 /nfs/dbraw/zinc/37/28/24/1010372824.db2.gz RCNZFDZMQBLNEP-UHFFFAOYSA-N -1 2 401.843 3.939 20 0 HHADLM Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc(F)c(Br)cc1F ZINC000548198962 1010559303 /nfs/dbraw/zinc/55/93/03/1010559303.db2.gz GSXWIZGTJZMYNL-UHFFFAOYSA-N -1 2 406.204 3.535 20 0 HHADLM CCCOc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1Br ZINC000013059455 962361798 /nfs/dbraw/zinc/36/17/98/962361798.db2.gz IGOWNOVMVPOOAJ-UHFFFAOYSA-N -1 2 414.277 3.737 20 0 HHADLM Cc1cc(S(=O)(=O)Nc2cccc(NC(=O)c3ccccc3)c2)sc1C(=O)[O-] ZINC000055619770 965967038 /nfs/dbraw/zinc/96/70/38/965967038.db2.gz BHMDMFRAZSJGRP-UHFFFAOYSA-N -1 2 416.480 3.808 20 0 HHADLM O=C([O-])Cc1cccc(NS(=O)(=O)c2c(Cl)cccc2Br)c1 ZINC000318680876 972665039 /nfs/dbraw/zinc/66/50/39/972665039.db2.gz ASMWRFGQZVYZRC-UHFFFAOYSA-N -1 2 404.669 3.530 20 0 HHADLM CSc1cccc(NS(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2F)c1 ZINC000320069539 972676523 /nfs/dbraw/zinc/67/65/23/972676523.db2.gz UKOUVRQNKUVOSI-UHFFFAOYSA-N -1 2 420.281 3.809 20 0 HHADLM Cc1c(F)cccc1NS(=O)(=O)c1cc(Br)cc(C(=O)[O-])c1F ZINC000320425656 972682682 /nfs/dbraw/zinc/68/26/82/972682682.db2.gz UDLVFZNXPNDNSA-UHFFFAOYSA-N -1 2 406.204 3.535 20 0 HHADLM Cc1cc(NS(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2F)ccc1F ZINC000320431631 972682910 /nfs/dbraw/zinc/68/29/10/972682910.db2.gz HFIIRSBTAWXWTH-UHFFFAOYSA-N -1 2 406.204 3.535 20 0 HHADLM Cc1c(Br)cccc1NS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000322942891 972706112 /nfs/dbraw/zinc/70/61/12/972706112.db2.gz IGSNEBUGCCCNRO-UHFFFAOYSA-N -1 2 406.204 3.535 20 0 HHADLM O=C([O-])c1ccc(Br)c(S(=O)(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000323901043 972716931 /nfs/dbraw/zinc/71/69/31/972716931.db2.gz POMNQEKWGUBDPU-UHFFFAOYSA-N -1 2 424.194 3.967 20 0 HHADLM Cc1cc(Br)c(F)cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000391267366 972838445 /nfs/dbraw/zinc/83/84/45/972838445.db2.gz HMZPCYSLDVJAPX-UHFFFAOYSA-N -1 2 406.204 3.535 20 0 HHADLM O=C([O-])c1ccc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2F)cc1Cl ZINC000427138422 974934026 /nfs/dbraw/zinc/93/40/26/974934026.db2.gz XAEMFKTWMXAOPB-UHFFFAOYSA-N -1 2 413.732 3.877 20 0 HHADLM CCCc1c(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cnn1-c1ccc(C)cc1 ZINC000431924240 978604372 /nfs/dbraw/zinc/60/43/72/978604372.db2.gz GPUNFPVFRQPSHQ-UHFFFAOYSA-N -1 2 417.462 3.771 20 0 HHADLM COc1cc(C)cc(C)c1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1OC(F)(F)F ZINC000434632211 980308996 /nfs/dbraw/zinc/30/89/96/980308996.db2.gz VJTQZDYBVKGTPO-UHFFFAOYSA-N -1 2 419.377 3.710 20 0 HHADLM Cc1nc(=NC(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2O)s[n-]1 ZINC000436579286 981457373 /nfs/dbraw/zinc/45/73/73/981457373.db2.gz YYNUUFWSCLBTBB-UHFFFAOYSA-N -1 2 423.281 3.785 20 0 HHADLM COc1ccc(Oc2ccc(NS(=O)(=O)c3ccc(C(=O)[O-])cc3F)cn2)cc1 ZINC000438772364 983061214 /nfs/dbraw/zinc/06/12/14/983061214.db2.gz JPNDGHYWTRSXAS-UHFFFAOYSA-N -1 2 418.402 3.521 20 0 HHADLM Cc1ccc(Oc2ccc(NS(=O)(=O)c3ccc(C(=O)[O-])cc3F)cn2)cc1 ZINC000438785980 983069672 /nfs/dbraw/zinc/06/96/72/983069672.db2.gz NNDVKSLXBXPMBD-UHFFFAOYSA-N -1 2 402.403 3.820 20 0 HHADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccccc2COc2ccccc2)c(F)c1 ZINC000438794830 983075658 /nfs/dbraw/zinc/07/56/58/983075658.db2.gz NVKHPAWJIGKUBI-UHFFFAOYSA-N -1 2 401.415 3.904 20 0 HHADLM Cc1csc(Oc2ccc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3O)cc2F)n1 ZINC000439256222 983334647 /nfs/dbraw/zinc/33/46/47/983334647.db2.gz YBYVPKBSDMVBSD-UHFFFAOYSA-N -1 2 424.431 3.588 20 0 HHADLM CC[C@H](Cc1ccc(NS(=O)(=O)c2c(C)nn(CC(C)C)c2C)cc1)C(=O)[O-] ZINC000463780280 986771027 /nfs/dbraw/zinc/77/10/27/986771027.db2.gz XHQKTJONRNSWPD-QGZVFWFLSA-N -1 2 407.536 3.610 20 0 HHADLM CCc1c(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cnn1-c1ccccc1 ZINC000466473863 991764845 /nfs/dbraw/zinc/76/48/45/991764845.db2.gz LXOAXFONPZQBBO-UHFFFAOYSA-N -1 2 405.863 3.587 20 0 HHADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc2[nH]c(-c3cccc(F)c3)nc2c1 ZINC000467745948 992993868 /nfs/dbraw/zinc/99/38/68/992993868.db2.gz LZRLDCSVKKITSP-UHFFFAOYSA-N -1 2 415.402 3.769 20 0 HHADLM COc1cc(NS(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)cc(OC)c1C(C)C ZINC000484165470 996611055 /nfs/dbraw/zinc/61/10/55/996611055.db2.gz SZCQFEOUASMQQG-UHFFFAOYSA-N -1 2 411.451 3.774 20 0 HHADLM Cc1cccc(C(=O)[O-])c1NS(=O)(=O)c1cc(Br)sc1Cl ZINC000484581941 996914780 /nfs/dbraw/zinc/91/47/80/996914780.db2.gz GGHKASQFUNGMIL-UHFFFAOYSA-N -1 2 410.698 3.971 20 0 HHADLM CC(C)Oc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccccc1C(F)(F)F ZINC000484987759 997349545 /nfs/dbraw/zinc/34/95/45/997349545.db2.gz ORWQCUMMGQUSDI-UHFFFAOYSA-N -1 2 403.378 3.992 20 0 HHADLM COc1cc(C(=O)[O-])cc(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1OC ZINC000485394924 997822367 /nfs/dbraw/zinc/82/23/67/997822367.db2.gz KTEVQLVKAPDOFR-UHFFFAOYSA-N -1 2 406.243 3.510 20 0 HHADLM Cc1ccc2cccnc2c1S(=O)(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC000477252643 997927938 /nfs/dbraw/zinc/92/79/38/997927938.db2.gz RFOWIDMHSMCZAX-UHFFFAOYSA-N -1 2 400.456 3.829 20 0 HHADLM O=C([O-])c1c[nH]c2cc(NS(=O)(=O)c3ccc(Br)cc3F)ccc21 ZINC000479489540 999440904 /nfs/dbraw/zinc/44/09/04/999440904.db2.gz POOVIQPRNCNVRP-UHFFFAOYSA-N -1 2 413.224 3.569 20 0 HHADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)c1 ZINC000512726275 1004521133 /nfs/dbraw/zinc/52/11/33/1004521133.db2.gz VQDPLMRICOZDBG-UHFFFAOYSA-N -1 2 407.419 3.675 20 0 HHADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2ccc3[nH]c(-c4ccco4)nc3c2)c1 ZINC000512757581 1004540706 /nfs/dbraw/zinc/54/07/06/1004540706.db2.gz MWYKHIKQBDRKGB-UHFFFAOYSA-N -1 2 415.402 3.769 20 0 HHADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)c1 ZINC000512776607 1004552876 /nfs/dbraw/zinc/55/28/76/1004552876.db2.gz QNQFPOBFUGGSFR-UHFFFAOYSA-N -1 2 420.393 3.960 20 0 HHADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2ccc(-c3nc(C(C)C)no3)cc2)c1 ZINC000512794641 1004562372 /nfs/dbraw/zinc/56/23/72/1004562372.db2.gz GIEMZGFNABUZOZ-UHFFFAOYSA-N -1 2 419.434 3.807 20 0 HHADLM Cc1ccc(S(=O)(=O)Nc2cn(CC(C)C)nc2C(F)F)c(C)c1C(=O)[O-] ZINC000535617359 1007622207 /nfs/dbraw/zinc/62/22/07/1007622207.db2.gz LOQIHLUDWHBDFB-UHFFFAOYSA-N -1 2 401.435 3.593 20 0 HHADLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)cc1-n1cccc1 ZINC000521454748 1010383432 /nfs/dbraw/zinc/38/34/32/1010383432.db2.gz LWCGQQLXZXDBFV-UHFFFAOYSA-N -1 2 406.847 3.638 20 0 HHADLM O=C([O-])c1ccc(OC(F)(F)F)c(NS(=O)(=O)Cc2c(F)cccc2F)c1 ZINC000548591461 1010674359 /nfs/dbraw/zinc/67/43/59/1010674359.db2.gz AFHUBSHVMJPFCF-UHFFFAOYSA-N -1 2 411.304 3.504 20 0 HHADLM O=C([O-])c1ccn(-c2ccccc2NS(=O)(=O)c2cccc(Cl)c2Cl)n1 ZINC000522957614 1011404889 /nfs/dbraw/zinc/40/48/89/1011404889.db2.gz LZSIXUVJRVEPLZ-UHFFFAOYSA-N -1 2 412.254 3.678 20 0 HHADLM CCOc1ccc(S(=O)(=O)Nc2cccnc2Oc2ccccc2)cc1C(=O)[O-] ZINC000589938691 1073424464 /nfs/dbraw/zinc/42/44/64/1073424464.db2.gz WWEQQHJBLBKJMH-UHFFFAOYSA-N -1 2 414.439 3.772 20 0 HHADLM Cc1cc(S(=O)(=O)Nc2cccc(NC(=O)c3cccs3)c2)sc1C(=O)[O-] ZINC000058518944 965766772 /nfs/dbraw/zinc/76/67/72/965766772.db2.gz NWJFTQTVHWJWCC-UHFFFAOYSA-N -1 2 422.509 3.869 20 0 HHADLM COC(=O)c1cc(C(C)C)ccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000060839414 966305393 /nfs/dbraw/zinc/30/53/93/966305393.db2.gz WZAVYRLGDWSFCT-UHFFFAOYSA-N -1 2 411.863 3.749 20 0 HHADLM O=C([O-])c1cc(Br)cc(S(=O)(=O)Nc2cccc(Cl)c2)c1F ZINC000314137399 972636832 /nfs/dbraw/zinc/63/68/32/972636832.db2.gz OTJMOGNTGMFPMN-UHFFFAOYSA-N -1 2 408.632 3.741 20 0 HHADLM C[C@H](CC(=O)[O-])c1ccc(NS(=O)(=O)c2ccc(Br)cc2F)cc1 ZINC000326400708 972742114 /nfs/dbraw/zinc/74/21/14/972742114.db2.gz HUKZUOAUPWVYCM-SNVBAGLBSA-N -1 2 416.268 3.967 20 0 HHADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000390522729 972824197 /nfs/dbraw/zinc/82/41/97/972824197.db2.gz VAHWSOFXRZSCPU-UHFFFAOYSA-N -1 2 412.620 3.642 20 0 HHADLM O=C([O-])c1c[nH]c2cc(NS(=O)(=O)c3cccc(Br)c3F)ccc21 ZINC000410368427 973963826 /nfs/dbraw/zinc/96/38/26/973963826.db2.gz BBSKAILLBDFLSK-UHFFFAOYSA-N -1 2 413.224 3.569 20 0 HHADLM CC(C)Oc1c(NS(=O)(=O)c2ccccc2Br)cccc1C(=O)[O-] ZINC000410403127 974003161 /nfs/dbraw/zinc/00/31/61/974003161.db2.gz RLJKNYIBWQCMES-UHFFFAOYSA-N -1 2 414.277 3.735 20 0 HHADLM O=C(N=c1nc(-c2ccsc2)[nH]s1)c1cc(F)cc(Br)c1[O-] ZINC000436864023 981596410 /nfs/dbraw/zinc/59/64/10/981596410.db2.gz MOIHXAFWOFATNJ-UHFFFAOYSA-N -1 2 400.254 3.548 20 0 HHADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccccc2NC(=O)c2cccs2)c(F)c1 ZINC000438757231 983049656 /nfs/dbraw/zinc/04/96/56/983049656.db2.gz ROAZQCCIUBOINH-UHFFFAOYSA-N -1 2 420.443 3.639 20 0 HHADLM CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)c(C(F)(F)F)c1 ZINC000438786895 983070461 /nfs/dbraw/zinc/07/04/61/983070461.db2.gz QZMYAQVCROYJRW-UHFFFAOYSA-N -1 2 407.341 3.742 20 0 HHADLM COc1ccccc1-n1cc(S(=O)(=O)Nc2c(C(=O)[O-])cccc2C(C)C)cn1 ZINC000438804206 983081312 /nfs/dbraw/zinc/08/13/12/983081312.db2.gz WCQWPMFBSLBUFM-UHFFFAOYSA-N -1 2 415.471 3.503 20 0 HHADLM O=C([O-])c1cc(Br)cc(S(=O)(=O)Nc2ccc3ccoc3c2)c1F ZINC000442847401 985244208 /nfs/dbraw/zinc/24/42/08/985244208.db2.gz LHQFZBXPABRVOI-UHFFFAOYSA-N -1 2 414.208 3.833 20 0 HHADLM Cc1cc(C(=O)Nc2ccccc2OCCc2ccccc2)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000468478719 986173377 /nfs/dbraw/zinc/17/33/77/986173377.db2.gz DQGNIQBOSUVMIB-UHFFFAOYSA-N -1 2 416.437 3.618 20 0 HHADLM O=C([O-])c1ccc(OC(F)(F)F)c(NS(=O)(=O)c2cnc3ccsc3c2)c1 ZINC000471965997 990131287 /nfs/dbraw/zinc/13/12/87/990131287.db2.gz UTXZDEQEQFQIKM-UHFFFAOYSA-N -1 2 418.374 3.694 20 0 HHADLM CCc1c(NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)cnn1-c1ccccc1 ZINC000466481474 991773049 /nfs/dbraw/zinc/77/30/49/991773049.db2.gz KKZMNMQJUSDYNP-UHFFFAOYSA-N -1 2 419.890 3.896 20 0 HHADLM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N[C@@H](c2ccccc2)c2ccccn2)n1 ZINC000484709620 997048967 /nfs/dbraw/zinc/04/89/67/997048967.db2.gz MZBHVZWMGOOWOS-NRFANRHFSA-N -1 2 402.429 3.940 20 0 HHADLM O=c1[nH]c(C[N@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)nc2c3ccccc3oc21 ZINC000486422664 998759816 /nfs/dbraw/zinc/75/98/16/998759816.db2.gz XSIRPQDDXSPQSV-HNNXBMFYSA-N -1 2 418.501 3.779 20 0 HHADLM Cc1nn(-c2ccccc2)c(C)c1NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C ZINC000479346385 999396274 /nfs/dbraw/zinc/39/62/74/999396274.db2.gz QPXKFNNVILPIPK-UHFFFAOYSA-N -1 2 419.890 3.950 20 0 HHADLM CCc1c(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cnn1-c1ccccc1C ZINC000480226448 999750126 /nfs/dbraw/zinc/75/01/26/999750126.db2.gz OLNARIVQFRTIJC-UHFFFAOYSA-N -1 2 419.890 3.896 20 0 HHADLM COc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1ccccc1Br ZINC000505127362 1000564662 /nfs/dbraw/zinc/56/46/62/1000564662.db2.gz CADQBENHRCTEGU-UHFFFAOYSA-N -1 2 420.668 3.610 20 0 HHADLM Cc1cc2cccnc2c(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Br)c1 ZINC000507013380 1001764594 /nfs/dbraw/zinc/76/45/94/1001764594.db2.gz ORAMAGWSIFDDGZ-UHFFFAOYSA-N -1 2 421.272 3.805 20 0 HHADLM C[C@H](Sc1ccc(NS(=O)(=O)c2cnc(-c3ccccc3)nc2)cc1)C(=O)[O-] ZINC000507579749 1002184929 /nfs/dbraw/zinc/18/49/29/1002184929.db2.gz ACVUPYGGVRVPHH-ZDUSSCGKSA-N -1 2 415.496 3.510 20 0 HHADLM O=C([O-])c1ccc(OC(F)(F)F)c(NS(=O)(=O)c2cnc3ccccc3c2)c1 ZINC000509383860 1003812727 /nfs/dbraw/zinc/81/27/27/1003812727.db2.gz DOGYHHORPFXJQY-UHFFFAOYSA-N -1 2 412.345 3.632 20 0 HHADLM Cc1cc(S(=O)(=O)Nc2cc(Br)cc(C(=O)[O-])c2)c(F)cc1F ZINC000512726545 1004521053 /nfs/dbraw/zinc/52/10/53/1004521053.db2.gz YDFNPTOIZBOKMD-UHFFFAOYSA-N -1 2 406.204 3.535 20 0 HHADLM Cn1cc(S(=O)(=O)Nc2ccccc2Oc2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000512750216 1004535816 /nfs/dbraw/zinc/53/58/16/1004535816.db2.gz QDZIUPLVCIAHNX-UHFFFAOYSA-N -1 2 406.847 3.970 20 0 HHADLM COc1c(Cl)cc(NS(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)cc1Cl ZINC000512775999 1004553004 /nfs/dbraw/zinc/55/30/04/1004553004.db2.gz HAAHKYLRDNQUSS-UHFFFAOYSA-N -1 2 408.234 3.949 20 0 HHADLM Cc1nc(-c2cccc(NS(=O)(=O)c3cc(C)cc(C(=O)[O-])c3F)c2)oc1C ZINC000512794885 1004562502 /nfs/dbraw/zinc/56/25/02/1004562502.db2.gz KCSRDJFRQNUYIJ-UHFFFAOYSA-N -1 2 404.419 3.905 20 0 HHADLM Cc1cc(S(=O)(=O)Nc2ccc(NC(=O)c3cccs3)cc2)sc1C(=O)[O-] ZINC000501796221 1004738852 /nfs/dbraw/zinc/73/88/52/1004738852.db2.gz MSXZUBWDEVCUEX-UHFFFAOYSA-N -1 2 422.509 3.869 20 0 HHADLM CC(C)Cn1ncc(NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c1C(F)F ZINC000534057360 1006028586 /nfs/dbraw/zinc/02/85/86/1006028586.db2.gz CWFWLEJKKKBSHS-UHFFFAOYSA-N -1 2 407.826 3.629 20 0 HHADLM CC[C@@H](C)n1ncc(NS(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)c1C1CC1 ZINC000534234280 1006234976 /nfs/dbraw/zinc/23/49/76/1006234976.db2.gz FMTHIGMEQCCUKZ-GFCCVEGCSA-N -1 2 403.504 3.719 20 0 HHADLM O=C([O-])c1ccc(NS(=O)(=O)c2cc(Br)sc2Cl)cc1F ZINC000533164727 1007502778 /nfs/dbraw/zinc/50/27/78/1007502778.db2.gz JLELQYARFHBIMR-UHFFFAOYSA-N -1 2 414.661 3.802 20 0 HHADLM Cc1cc(C)c(S(=O)(=O)Nc2cn(CC(C)C)nc2C(F)F)cc1C(=O)[O-] ZINC000535617488 1007621981 /nfs/dbraw/zinc/62/19/81/1007621981.db2.gz PMFALOBOYCPNPJ-UHFFFAOYSA-N -1 2 401.435 3.593 20 0 HHADLM CCCc1c(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cnn1-c1ccccc1 ZINC000543021763 1008600889 /nfs/dbraw/zinc/60/08/89/1008600889.db2.gz AAMRBRORCOSHJB-UHFFFAOYSA-N -1 2 413.499 3.643 20 0 HHADLM Cc1ccc(-c2cc(NS(=O)(=O)c3c(C)cc(C)c(CC(=O)[O-])c3C)n[nH]2)s1 ZINC000541074541 1011714528 /nfs/dbraw/zinc/71/45/28/1011714528.db2.gz FFRVPYUCQLCTOV-UHFFFAOYSA-N -1 2 419.528 3.800 20 0 HHADLM O=C([O-])c1ccccc1NS(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000541806858 1012690081 /nfs/dbraw/zinc/69/00/81/1012690081.db2.gz VOQTUMNTDAMIMB-UHFFFAOYSA-N -1 2 408.632 3.741 20 0 HHADLM CCOCCOc1c(Cl)cccc1NS(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000591681750 1074485209 /nfs/dbraw/zinc/48/52/09/1074485209.db2.gz KDXFDWNLBKHBNZ-UHFFFAOYSA-N -1 2 419.908 3.624 20 0 HHADLM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn(-c2ccccc2)c1C(C)C ZINC000574500550 1075285599 /nfs/dbraw/zinc/28/55/99/1075285599.db2.gz MLHUSYJVYUSSCA-UHFFFAOYSA-N -1 2 405.501 3.865 20 0 HHADLM Cc1cc(Br)ccc1NS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000322697834 972701599 /nfs/dbraw/zinc/70/15/99/972701599.db2.gz TVTVCIGNIGBBPB-UHFFFAOYSA-N -1 2 406.204 3.535 20 0 HHADLM O=C([O-])c1cc(Br)cc(NS(=O)(=O)c2cccc3c2N=S=N3)c1 ZINC000322698172 972702061 /nfs/dbraw/zinc/70/20/61/972702061.db2.gz LBGKIOZIZDDMNP-UHFFFAOYSA-N -1 2 414.262 3.675 20 0 HHADLM Cc1cc(Cl)ncc1NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1Br ZINC000391929689 972845974 /nfs/dbraw/zinc/84/59/74/972845974.db2.gz XFFMEKZIGHJEMN-UHFFFAOYSA-N -1 2 419.684 3.613 20 0 HHADLM COc1cc(C)ccc1NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1Br ZINC000392479322 972852902 /nfs/dbraw/zinc/85/29/02/972852902.db2.gz XUEZPTYKECQKTE-UHFFFAOYSA-N -1 2 414.277 3.574 20 0 HHADLM Cc1cnc2c(cccc2S(=O)(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)c1 ZINC000410401647 974001539 /nfs/dbraw/zinc/00/15/39/974001539.db2.gz NLHJVIIAWUAIJF-UHFFFAOYSA-N -1 2 400.456 3.829 20 0 HHADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(Br)cc(OC(C)C)c1 ZINC000426006673 974121875 /nfs/dbraw/zinc/12/18/75/974121875.db2.gz GUBYWFPNDFCPJC-UHFFFAOYSA-N -1 2 418.265 3.637 20 0 HHADLM CCCc1c(NS(=O)(=O)c2cccc(C(=O)[O-])c2C)cnn1-c1ccc(C)cc1 ZINC000431889889 978580489 /nfs/dbraw/zinc/58/04/89/978580489.db2.gz ABFYKEVSSIPOBL-UHFFFAOYSA-N -1 2 413.499 3.941 20 0 HHADLM CCC(=O)c1ccc(O)c(NS(=O)(=O)c2cc(C(=O)[O-])sc2C(C)(C)C)c1 ZINC000436608123 981471783 /nfs/dbraw/zinc/47/17/83/981471783.db2.gz PBJVPCPUSRHVOF-UHFFFAOYSA-N -1 2 411.501 3.843 20 0 HHADLM CCOc1ccc(NS(=O)(=O)c2cc(C)cc(C(=O)[O-])c2O)c(C(F)(F)F)c1 ZINC000436724388 981532379 /nfs/dbraw/zinc/53/23/79/981532379.db2.gz PRIPIENAJNNYMD-UHFFFAOYSA-N -1 2 419.377 3.617 20 0 HHADLM COc1ccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)c(OCc2ccccc2)c1 ZINC000438814483 983089242 /nfs/dbraw/zinc/08/92/42/983089242.db2.gz PDHXNHHHKHQABL-UHFFFAOYSA-N -1 2 419.480 3.835 20 0 HHADLM Cc1cc(C(=O)Nc2ccc(OCc3ccccc3)cc2)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000467926554 985560108 /nfs/dbraw/zinc/56/01/08/985560108.db2.gz IQXWJAZXQPYVCF-UHFFFAOYSA-N -1 2 402.410 3.576 20 0 HHADLM Cc1noc(C2CC2)c1NS(=O)(=O)c1ccc(OCCCC(=O)[O-])c(Cl)c1 ZINC000463796094 986786941 /nfs/dbraw/zinc/78/69/41/986786941.db2.gz YKILZZDJHSZPGO-UHFFFAOYSA-N -1 2 414.867 3.558 20 0 HHADLM Cc1ccc(-n2ncc(NC(=O)c3cc(C)c4c(=O)[nH]c(=O)nc-4[n-]3)c2C(C)C)cc1 ZINC000481872615 994736885 /nfs/dbraw/zinc/73/68/85/994736885.db2.gz WIVQHVHKRORYEW-UHFFFAOYSA-N -1 2 418.457 3.614 20 0 HHADLM Cc1ccc(NS(=O)(=O)c2cc(F)c(F)cc2F)c(SCCC(=O)[O-])c1 ZINC000484499229 996825142 /nfs/dbraw/zinc/82/51/42/996825142.db2.gz LWMACDAKCHJNJX-UHFFFAOYSA-N -1 2 405.419 3.780 20 0 HHADLM Cc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)c(-c2nc(C3CC3)no2)c1 ZINC000476405230 996864420 /nfs/dbraw/zinc/86/44/20/996864420.db2.gz AXBPUSBEGLCLKG-UHFFFAOYSA-N -1 2 417.418 3.561 20 0 HHADLM CCCOc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccccc1Br ZINC000484979907 997344830 /nfs/dbraw/zinc/34/48/30/997344830.db2.gz YBPIBXKSAZZDKZ-UHFFFAOYSA-N -1 2 414.277 3.737 20 0 HHADLM O=c1[nH]c(C[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)nc2c3ccccc3oc21 ZINC000486422665 998759862 /nfs/dbraw/zinc/75/98/62/998759862.db2.gz XSIRPQDDXSPQSV-OAHLLOKOSA-N -1 2 418.501 3.779 20 0 HHADLM O=C([O-])c1ccc(NS(=O)(=O)c2cc(Cl)ccc2OCCC2CC2)c(O)c1 ZINC000488277378 999420704 /nfs/dbraw/zinc/42/07/04/999420704.db2.gz GHYQPFQRNMLSHC-UHFFFAOYSA-N -1 2 411.863 3.724 20 0 HHADLM COc1cccc(OC)c1S(=O)(=O)Nc1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000479508064 999450699 /nfs/dbraw/zinc/45/06/99/999450699.db2.gz FNZZABGLKKTBLQ-UHFFFAOYSA-N -1 2 406.243 3.510 20 0 HHADLM CCc1c(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cnn1-c1cccc(Cl)c1 ZINC000480239995 999753860 /nfs/dbraw/zinc/75/38/60/999753860.db2.gz GWLLXCNINHYUPL-UHFFFAOYSA-N -1 2 423.853 3.726 20 0 HHADLM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1C ZINC000506691032 1001495318 /nfs/dbraw/zinc/49/53/18/1001495318.db2.gz VZVQPISKONPVTK-UHFFFAOYSA-N -1 2 418.254 3.587 20 0 HHADLM O=C([O-])c1cccc(NS(=O)(=O)c2c(Cl)cc(F)cc2Br)c1 ZINC000504255163 1005583279 /nfs/dbraw/zinc/58/32/79/1005583279.db2.gz ZBPXFIKNVCVUHS-UHFFFAOYSA-N -1 2 408.632 3.741 20 0 HHADLM O=C([O-])Cc1cccc(NS(=O)(=O)c2c(Cl)cc(F)cc2Br)c1 ZINC000504254700 1005583395 /nfs/dbraw/zinc/58/33/95/1005583395.db2.gz UWKOBHNIYDSWGM-UHFFFAOYSA-N -1 2 422.659 3.670 20 0 HHADLM Cc1ccc(Cl)c(S(=O)(=O)Nc2cc3c(cc2C(=O)[O-])OCCO3)c1Cl ZINC000515693699 1006593407 /nfs/dbraw/zinc/59/34/07/1006593407.db2.gz AEIJXYZDIFNIBS-UHFFFAOYSA-N -1 2 418.254 3.572 20 0 HHADLM O=S1(=O)NC(C[N@H+](CCc2ccc(Cl)cc2)CC2CC2)=Nc2ccccc21 ZINC000532580082 1007014185 /nfs/dbraw/zinc/01/41/85/1007014185.db2.gz RHAJKMUEJHXHSR-UHFFFAOYSA-N -1 2 403.935 3.617 20 0 HHADLM O=C([O-])c1csc(Cc2ccc(NS(=O)(=O)c3cc(F)ccc3F)cc2)n1 ZINC000544093220 1009701681 /nfs/dbraw/zinc/70/16/81/1009701681.db2.gz GQMMQRFPJFGQFZ-UHFFFAOYSA-N -1 2 410.423 3.511 20 0 HHADLM O=C([O-])c1cc2c(cc1NS(=O)(=O)c1c(Cl)cccc1C(F)(F)F)OCO2 ZINC000547546269 1010345830 /nfs/dbraw/zinc/34/58/30/1010345830.db2.gz DOMAZUKUNRCMQM-UHFFFAOYSA-N -1 2 423.752 3.587 20 0 HHADLM CCOc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)Cc1cc(Cl)ccc1F ZINC000547938304 1010474807 /nfs/dbraw/zinc/47/48/07/1010474807.db2.gz QLMGEAWJJFNMSR-UHFFFAOYSA-N -1 2 405.806 3.657 20 0 HHADLM C[C@@H](C(F)(F)F)S(=O)(=O)N[C@@H](CC(=O)[O-])c1cccc(Oc2ccccc2)c1 ZINC000548526656 1010656708 /nfs/dbraw/zinc/65/67/08/1010656708.db2.gz LQKKDIBVHBUMBT-LRDDRELGSA-N -1 2 417.405 3.865 20 0 HHADLM C[C@@H](C(F)(F)F)S(=O)(=O)N[C@H](CC(=O)[O-])c1cccc(Oc2ccccc2)c1 ZINC000548526650 1010656955 /nfs/dbraw/zinc/65/69/55/1010656955.db2.gz LQKKDIBVHBUMBT-BLLLJJGKSA-N -1 2 417.405 3.865 20 0 HHADLM Cc1cc(C(=O)Nc2ccccc2Nc2ccc(F)cc2)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000540795072 1011455470 /nfs/dbraw/zinc/45/54/70/1011455470.db2.gz LELLBIHQNYXBOC-UHFFFAOYSA-N -1 2 405.389 3.879 20 0 HHADLM Cc1cc(S(=O)(=O)[N-]c2cc(-c3n[nH]c(=O)[nH]3)cc(C(F)(F)F)c2)sc1C ZINC000536905290 1012168315 /nfs/dbraw/zinc/16/83/15/1012168315.db2.gz NCFVIBVTHQNLCU-UHFFFAOYSA-N -1 2 418.422 3.675 20 0 HHADLM CCSc1ccc(Cl)cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1OC ZINC000591683818 1074487296 /nfs/dbraw/zinc/48/72/96/1074487296.db2.gz VIOIEMYCGVZGKK-UHFFFAOYSA-N -1 2 401.893 3.960 20 0 HHADLM COc1cc(NS(=O)(=O)c2c(Cl)cccc2Cl)c(C(=O)[O-])cc1OC ZINC000013263157 962381441 /nfs/dbraw/zinc/38/14/41/962381441.db2.gz DRMCOVDUCVZUEB-UHFFFAOYSA-N -1 2 406.243 3.510 20 0 HHADLM O=S(=O)([N-]c1ccccc1NS(=O)(=O)c1ccccc1)c1cccc(Cl)c1 ZINC000064478104 967204455 /nfs/dbraw/zinc/20/44/55/967204455.db2.gz DDXSQGMEHKOZGY-UHFFFAOYSA-N -1 2 422.915 3.942 20 0 HHADLM O=C([O-])c1cc(NS(=O)(=O)c2ccc(F)c(F)c2F)cc(Cl)c1Cl ZINC000079001734 969028154 /nfs/dbraw/zinc/02/81/54/969028154.db2.gz AAQTURUJRZQLSN-UHFFFAOYSA-N -1 2 400.161 3.910 20 0 HHADLM O=C([O-])c1ccc(NS(=O)(=O)c2c(Cl)cccc2Br)cc1F ZINC000318789551 972666436 /nfs/dbraw/zinc/66/64/36/972666436.db2.gz SHFGMIWUODFUKU-UHFFFAOYSA-N -1 2 408.632 3.741 20 0 HHADLM Cc1ccc(NS(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2F)cc1C ZINC000319915411 972674519 /nfs/dbraw/zinc/67/45/19/972674519.db2.gz ATOLANZUOOHTON-UHFFFAOYSA-N -1 2 402.241 3.704 20 0 HHADLM Cc1cc(Br)c(F)cc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000322717955 972702222 /nfs/dbraw/zinc/70/22/22/972702222.db2.gz VAKQHRUMIXFGPW-UHFFFAOYSA-N -1 2 406.204 3.535 20 0 HHADLM Cc1cc(C)cc(NS(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2F)c1 ZINC000390410936 972822724 /nfs/dbraw/zinc/82/27/24/972822724.db2.gz LGHSAELSKAEVLI-UHFFFAOYSA-N -1 2 402.241 3.704 20 0 HHADLM C[C@H](Cc1ccc(NS(=O)(=O)c2cccc(Br)c2F)cc1)C(=O)[O-] ZINC000410399557 973999368 /nfs/dbraw/zinc/99/93/68/973999368.db2.gz PQEPQJXZIIQMLJ-SNVBAGLBSA-N -1 2 416.268 3.652 20 0 HHADLM CCCc1c(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)cnn1-c1ccc(C)cc1 ZINC000431905306 978589875 /nfs/dbraw/zinc/58/98/75/978589875.db2.gz BLGLTXXVBCDTDB-UHFFFAOYSA-N -1 2 413.499 3.561 20 0 HHADLM CC(C)(c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)cc1)C(F)(F)F ZINC000432056972 978663644 /nfs/dbraw/zinc/66/36/44/978663644.db2.gz IDTDTJATYMJHGL-UHFFFAOYSA-N -1 2 403.378 3.731 20 0 HHADLM O=C([O-])c1ccc(NS(=O)(=O)c2cnc(-c3ccccc3)nc2)cc1C(F)(F)F ZINC000436177243 981236416 /nfs/dbraw/zinc/23/64/16/981236416.db2.gz SEFKDLDRBFAMFG-UHFFFAOYSA-N -1 2 423.372 3.661 20 0 HHADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(-c3cnc(C4CC4)o3)cc2)c(F)c1 ZINC000438804181 983081402 /nfs/dbraw/zinc/08/14/02/983081402.db2.gz VZJNABSLISRPLU-UHFFFAOYSA-N -1 2 402.403 3.857 20 0 HHADLM COC(=O)c1scc(C)c1S(=O)(=O)Nc1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000442823105 985228492 /nfs/dbraw/zinc/22/84/92/985228492.db2.gz YYZDPQCECIOEMY-UHFFFAOYSA-N -1 2 424.283 3.649 20 0 HHADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(F)cc1OCCC(F)(F)F ZINC000443527043 985697708 /nfs/dbraw/zinc/69/77/08/985697708.db2.gz GEPBRHPSVHWQOV-UHFFFAOYSA-N -1 2 411.329 3.557 20 0 HHADLM Cc1cc(C(=O)Nc2ccc(-c3ncc(C(C)C)o3)cc2)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000469562177 987232167 /nfs/dbraw/zinc/23/21/67/987232167.db2.gz NDUQWYDIUXKVAZ-UHFFFAOYSA-N -1 2 405.414 3.775 20 0 HHADLM COc1ccccc1Oc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)cc1 ZINC000481452875 994288967 /nfs/dbraw/zinc/28/89/67/994288967.db2.gz OWQSSQRDKMNXHK-UHFFFAOYSA-N -1 2 415.423 3.692 20 0 HHADLM Cc1cc(Cl)cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Br)c1O ZINC000476375825 996813951 /nfs/dbraw/zinc/81/39/51/996813951.db2.gz INSADASVJYKPCW-UHFFFAOYSA-N -1 2 420.668 3.616 20 0 HHADLM COc1ccc(CCC(=O)[O-])cc1NS(=O)(=O)c1cccc(Cl)c1Cl ZINC000484982180 997346227 /nfs/dbraw/zinc/34/62/27/997346227.db2.gz YJHCGLMPYSHWJS-UHFFFAOYSA-N -1 2 404.271 3.820 20 0 HHADLM COc1cc(S(=O)(=O)Nc2cccc3ccc(C)nc32)c(Cl)cc1C(=O)[O-] ZINC000485278214 997673224 /nfs/dbraw/zinc/67/32/24/997673224.db2.gz RBTWMNYISBXGSU-UHFFFAOYSA-N -1 2 406.847 3.704 20 0 HHADLM COc1cc(S(=O)(=O)Nc2ccccc2OCC2CC2)c(Cl)cc1C(=O)[O-] ZINC000485296465 997700732 /nfs/dbraw/zinc/70/07/32/997700732.db2.gz XSZKGDWVGVHNKZ-UHFFFAOYSA-N -1 2 411.863 3.636 20 0 HHADLM O=C([O-])c1cc(NS(=O)(=O)c2cnccc2C(F)(F)F)cc(C(F)(F)F)c1 ZINC000479190823 999318683 /nfs/dbraw/zinc/31/86/83/999318683.db2.gz NYQPYUHHRAEGOQ-UHFFFAOYSA-N -1 2 414.283 3.618 20 0 HHADLM O=S(=O)(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1ccc2ncsc2c1 ZINC000479485940 999438582 /nfs/dbraw/zinc/43/85/82/999438582.db2.gz BTLSMGDKGOHTRP-INIZCTEOSA-N -1 2 400.485 3.825 20 0 HHADLM COc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000504580990 1000279587 /nfs/dbraw/zinc/27/95/87/1000279587.db2.gz YZLAYWGPNDUSNQ-UHFFFAOYSA-N -1 2 409.769 3.866 20 0 HHADLM Cc1cc(NS(=O)(=O)c2c(Cl)cccc2Br)cc(C(=O)[O-])c1 ZINC000507642772 1002244266 /nfs/dbraw/zinc/24/42/66/1002244266.db2.gz DUCDNHXTEKNMMM-UHFFFAOYSA-N -1 2 404.669 3.910 20 0 HHADLM CCC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)cc1 ZINC000512762215 1004544500 /nfs/dbraw/zinc/54/45/00/1004544500.db2.gz PDNUJKCZHWYIQN-UHFFFAOYSA-N -1 2 422.478 3.552 20 0 HHADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2ccc(C)c(NC(=O)C(C)(C)C)c2)c1 ZINC000512768322 1004548680 /nfs/dbraw/zinc/54/86/80/1004548680.db2.gz ZGOWPYQNQYTSBH-UHFFFAOYSA-N -1 2 422.478 3.926 20 0 HHADLM Cc1coc(-c2cc(NS(=O)(=O)c3cc(C)cc(C(=O)[O-])c3F)ccc2C)n1 ZINC000512785873 1004558886 /nfs/dbraw/zinc/55/88/86/1004558886.db2.gz QCRBHCPSAKKTMA-UHFFFAOYSA-N -1 2 404.419 3.905 20 0 HHADLM O=C([O-])c1cc2c(cc1NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)OCO2 ZINC000511144023 1005043053 /nfs/dbraw/zinc/04/30/53/1005043053.db2.gz IVZFPJHHGSQAAU-UHFFFAOYSA-N -1 2 424.645 3.875 20 0 HHADLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 ZINC000515629631 1006568013 /nfs/dbraw/zinc/56/80/13/1006568013.db2.gz HWTHIKYTGDALTR-UHFFFAOYSA-N -1 2 418.402 3.521 20 0 HHADLM COc1cc(C(=O)[O-])c(F)cc1NS(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000535137867 1007176601 /nfs/dbraw/zinc/17/66/01/1007176601.db2.gz OLEYUSBAHBRBPZ-UHFFFAOYSA-N -1 2 424.233 3.649 20 0 HHADLM COC(=O)c1sc2ccccc2c1S(=O)(=O)Nc1c(C)cc(C)cc1C(=O)[O-] ZINC000521340885 1010316646 /nfs/dbraw/zinc/31/66/46/1010316646.db2.gz GWYDFERNHLVBLL-UHFFFAOYSA-N -1 2 419.480 3.804 20 0 HHADLM O=C([O-])c1c(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cccc1[N+](=O)[O-] ZINC000547567186 1010350672 /nfs/dbraw/zinc/35/06/72/1010350672.db2.gz DCHWHEADLKDIJR-UHFFFAOYSA-N -1 2 424.740 3.766 20 0 HHADLM Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)Nc1cn(CC(C)C)nc1C(F)F ZINC000479425187 1072820343 /nfs/dbraw/zinc/82/03/43/1072820343.db2.gz OUKHYEVKJHIBBW-UHFFFAOYSA-N -1 2 421.853 3.938 20 0 HHADLM CCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000591681964 1074485204 /nfs/dbraw/zinc/48/52/04/1074485204.db2.gz VPYPBCLLUZNCCF-UHFFFAOYSA-N -1 2 409.407 3.973 20 0 HHADLM Cc1cc(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000303911055 972482667 /nfs/dbraw/zinc/48/26/67/972482667.db2.gz XAOKNGYQHVNHAY-UHFFFAOYSA-N -1 2 413.865 3.640 20 0 HHADLM Cc1cc(S(=O)(=O)Nc2cccc(OCc3cccnc3)c2)sc1C(=O)[O-] ZINC000055632205 965977066 /nfs/dbraw/zinc/97/70/66/965977066.db2.gz BMAKCKKNFKHSPT-UHFFFAOYSA-N -1 2 404.469 3.530 20 0 HHADLM O=C(Nc1ccccc1NS(=O)(=O)c1ccccc1)c1cc(=O)c2ccccc2[n-]1 ZINC000064510003 967218837 /nfs/dbraw/zinc/21/88/37/967218837.db2.gz XCEXRZWYTWBNAC-UHFFFAOYSA-N -1 2 419.462 3.581 20 0 HHADLM O=C(Nc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1cc(=O)c2ccccc2[nH]1 ZINC000064510003 967218854 /nfs/dbraw/zinc/21/88/54/967218854.db2.gz XCEXRZWYTWBNAC-UHFFFAOYSA-N -1 2 419.462 3.581 20 0 HHADLM CCc1cc(Br)ccc1NS(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000317213644 972655299 /nfs/dbraw/zinc/65/52/99/972655299.db2.gz KDVDYXUSLPBMAI-UHFFFAOYSA-N -1 2 404.307 3.880 20 0 HHADLM O=C([O-])c1cc(NS(=O)(=O)c2ccc(Cl)cc2F)ccc1Br ZINC000317133540 972655357 /nfs/dbraw/zinc/65/53/57/972655357.db2.gz IYMKEEKVPGHFSP-UHFFFAOYSA-N -1 2 408.632 3.741 20 0 HHADLM COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1Br ZINC000320190034 972678265 /nfs/dbraw/zinc/67/82/65/972678265.db2.gz PUZZWLUWFPZEMR-UHFFFAOYSA-N -1 2 420.668 3.610 20 0 HHADLM CC(C)Oc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)c(C(F)(F)F)c1 ZINC000433523298 979357149 /nfs/dbraw/zinc/35/71/49/979357149.db2.gz AQEDKRBYUMALBJ-UHFFFAOYSA-N -1 2 419.377 3.697 20 0 HHADLM Cc1c(NS(=O)(=O)c2cc(C(=O)[O-])cc3c2CCCC3)cnn1-c1ccccc1 ZINC000435138668 980669762 /nfs/dbraw/zinc/66/97/62/980669762.db2.gz UFJCAVUXBWKWOM-UHFFFAOYSA-N -1 2 411.483 3.559 20 0 HHADLM O=C(Nc1cccc(Cl)c1O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1O ZINC000436600443 981468067 /nfs/dbraw/zinc/46/80/67/981468067.db2.gz FEMZKQSRXVWBPG-UHFFFAOYSA-N -1 2 424.887 3.866 20 0 HHADLM CCn1cc(S(=O)(=O)Nc2cc(Cl)ccc2OC(F)(F)F)cc1C(=O)[O-] ZINC000448549892 981874441 /nfs/dbraw/zinc/87/44/41/981874441.db2.gz KHOWHYBLUQQFCR-UHFFFAOYSA-N -1 2 412.773 3.559 20 0 HHADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc3nc(N4CCCC4)sc3c2)c(F)c1 ZINC000438805520 983081980 /nfs/dbraw/zinc/08/19/80/983081980.db2.gz MWOTWSAQDFLNPA-UHFFFAOYSA-N -1 2 421.475 3.535 20 0 HHADLM COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])oc2C)c(OCc2ccccc2)c1 ZINC000438820023 983093591 /nfs/dbraw/zinc/09/35/91/983093591.db2.gz NWPRGHDYMUTECC-UHFFFAOYSA-N -1 2 417.439 3.675 20 0 HHADLM O=C([O-])CCC(=O)c1cccc(NS(=O)(=O)c2cc(Cl)sc2Cl)c1 ZINC000439625197 983475693 /nfs/dbraw/zinc/47/56/93/983475693.db2.gz QEZYLSKPCSZSOC-UHFFFAOYSA-N -1 2 408.284 3.903 20 0 HHADLM Cc1cc(C(=O)Nc2ccc(OCC3CCCCC3)cc2)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000468772521 986484960 /nfs/dbraw/zinc/48/49/60/986484960.db2.gz AXKHURKBPNOYRB-UHFFFAOYSA-N -1 2 408.458 3.956 20 0 HHADLM Cc1cc(C)c(-c2cc(NS(=O)(=O)c3ccc(CCC(=O)[O-])cc3)[nH]n2)cc1C ZINC000483633454 996298297 /nfs/dbraw/zinc/29/82/97/996298297.db2.gz JOJZTFURVAUNLT-UHFFFAOYSA-N -1 2 413.499 3.820 20 0 HHADLM Cc1cc(S(=O)(=O)Nc2c(C)ccc(Br)c2C(=O)[O-])sc1C ZINC000484559011 996892574 /nfs/dbraw/zinc/89/25/74/996892574.db2.gz SORUDQFJACMUQP-UHFFFAOYSA-N -1 2 404.307 3.935 20 0 HHADLM CCOc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)c1ccc2c(cnn2C(C)C)c1 ZINC000484949780 997327325 /nfs/dbraw/zinc/32/73/25/997327325.db2.gz CGUXBIACASIELD-UHFFFAOYSA-N -1 2 421.450 3.654 20 0 HHADLM Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn(-c2ccccc2)c1C(C)C ZINC000486087736 998534601 /nfs/dbraw/zinc/53/46/01/998534601.db2.gz NMRVJAKQHYCMBN-UHFFFAOYSA-N -1 2 417.462 3.942 20 0 HHADLM CCc1c(NS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cnn1-c1ccc(Cl)cc1 ZINC000480242121 999754464 /nfs/dbraw/zinc/75/44/64/999754464.db2.gz RARSYBUFIDKIJU-UHFFFAOYSA-N -1 2 423.853 3.726 20 0 HHADLM CCc1c(NS(=O)(=O)c2csc(C(=O)[O-])c2)cnn1-c1cccc(Cl)c1 ZINC000480251016 999756476 /nfs/dbraw/zinc/75/64/76/999756476.db2.gz SAISHZWDJDUVRB-UHFFFAOYSA-N -1 2 411.892 3.649 20 0 HHADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)c(Cl)c1 ZINC000489697436 999819534 /nfs/dbraw/zinc/81/95/34/999819534.db2.gz QSGHQLQYRDOIPZ-OAHLLOKOSA-N -1 2 421.862 3.567 20 0 HHADLM COc1ccc(NS(=O)(=O)c2c(Cl)cccc2C(F)(F)F)c(C(=O)[O-])c1 ZINC000504665671 1000315771 /nfs/dbraw/zinc/31/57/71/1000315771.db2.gz JSPHRTPBHBKTKU-UHFFFAOYSA-N -1 2 409.769 3.866 20 0 HHADLM COc1cc(S(=O)(=O)Nc2cc(C)cc3cccnc32)c(Cl)cc1C(=O)[O-] ZINC000506994868 1001753761 /nfs/dbraw/zinc/75/37/61/1001753761.db2.gz MTRPFGKILZEXEJ-UHFFFAOYSA-N -1 2 406.847 3.704 20 0 HHADLM COc1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1 ZINC000509628978 1003991291 /nfs/dbraw/zinc/99/12/91/1003991291.db2.gz PBYPTADKDHNUKX-UHFFFAOYSA-N -1 2 422.846 3.968 20 0 HHADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2ccccc2CC(=O)OC(C)(C)C)c1 ZINC000512721121 1004517753 /nfs/dbraw/zinc/51/77/53/1004517753.db2.gz RNKRMWHTPVNYTD-UHFFFAOYSA-N -1 2 423.462 3.517 20 0 HHADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2ccccc2NCC(F)(F)F)c1 ZINC000512767544 1004548017 /nfs/dbraw/zinc/54/80/17/1004548017.db2.gz RZAZSPOWFZEQFZ-UHFFFAOYSA-N -1 2 406.357 3.607 20 0 HHADLM CC[C@H](C)n1nc(NS(=O)(=O)c2ccc(OCCCC(=O)[O-])c(C)c2)cc1C ZINC000539397462 1007704534 /nfs/dbraw/zinc/70/45/34/1007704534.db2.gz NEEGWXPOLVFFGF-AWEZNQCLSA-N -1 2 409.508 3.515 20 0 HHADLM Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cc(F)c(Br)cc1F ZINC000535988310 1008027596 /nfs/dbraw/zinc/02/75/96/1008027596.db2.gz BLNGUHYAHCMLPR-UHFFFAOYSA-N -1 2 406.204 3.535 20 0 HHADLM Cc1cccc(C(=O)[O-])c1NS(=O)(=O)c1cc(F)c(Br)cc1F ZINC000535991462 1008030754 /nfs/dbraw/zinc/03/07/54/1008030754.db2.gz CLOJSDZHIAMECG-UHFFFAOYSA-N -1 2 406.204 3.535 20 0 HHADLM Cc1cc(NS(=O)(=O)c2cc(F)c(Br)cc2F)ccc1C(=O)[O-] ZINC000533786346 1008109033 /nfs/dbraw/zinc/10/90/33/1008109033.db2.gz NVIABPYRMLFFII-UHFFFAOYSA-N -1 2 406.204 3.535 20 0 HHADLM C[C@H](C(F)(F)F)S(=O)(=O)N[C@H](CC(=O)[O-])c1cccc(Oc2ccccc2)c1 ZINC000548526657 1010656982 /nfs/dbraw/zinc/65/69/82/1010656982.db2.gz LQKKDIBVHBUMBT-MLGOLLRUSA-N -1 2 417.405 3.865 20 0 HHADLM O=C([O-])c1c[nH]c2cc(NS(=O)(=O)c3cc(C(F)(F)F)ccc3F)ccc12 ZINC000521961787 1010739580 /nfs/dbraw/zinc/73/95/80/1010739580.db2.gz ZLOPOVYZWKVNFN-UHFFFAOYSA-N -1 2 402.325 3.825 20 0 HHADLM COc1cccc([C@@H]2[C@H](NS(=O)(=O)c3cc4ccccc4o3)CC[N@H+]2C2CC2)c1 ZINC000540894698 1011568849 /nfs/dbraw/zinc/56/88/49/1011568849.db2.gz IYQXYSQWDFPTOK-DENIHFKCSA-N -1 2 412.511 3.698 20 0 HHADLM CCc1ccc(S(=O)(=O)Nc2cn(CC(C)C)nc2C(F)F)cc1C(=O)[O-] ZINC000536413416 1011627974 /nfs/dbraw/zinc/62/79/74/1011627974.db2.gz CGWBUTQLMMZYRC-UHFFFAOYSA-N -1 2 401.435 3.538 20 0 HHADLM O=C([O-])CCCc1ccccc1NS(=O)(=O)c1cccc(Br)c1F ZINC000542861727 1013716556 /nfs/dbraw/zinc/71/65/56/1013716556.db2.gz UOQWXDIOSWQNDC-UHFFFAOYSA-N -1 2 416.268 3.796 20 0 HHADLM O=C([O-])c1cc(NS(=O)(=O)c2ccc(Br)cc2F)ccc1Cl ZINC000318645448 972665208 /nfs/dbraw/zinc/66/52/08/972665208.db2.gz SACZFQMIASJQLJ-UHFFFAOYSA-N -1 2 408.632 3.741 20 0 HHADLM O=C([O-])c1c(F)cccc1NS(=O)(=O)c1c(Cl)cccc1Br ZINC000318916817 972667926 /nfs/dbraw/zinc/66/79/26/972667926.db2.gz UHIHOTOJAZDVNX-UHFFFAOYSA-N -1 2 408.632 3.741 20 0 HHADLM O=C([O-])c1cc(Br)cc(S(=O)(=O)Nc2ccc3c(c2)CCC3)c1F ZINC000323891480 972716905 /nfs/dbraw/zinc/71/69/05/972716905.db2.gz WTGACMSOAIVFKE-UHFFFAOYSA-N -1 2 414.252 3.576 20 0 HHADLM COc1cc(OC)c(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cc1Cl ZINC000327877225 972763585 /nfs/dbraw/zinc/76/35/85/972763585.db2.gz YRDLPGFAOHXASR-UHFFFAOYSA-N -1 2 406.243 3.510 20 0 HHADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccccc2NC(=O)C[C@H]2C=CCC2)c(F)c1 ZINC000438750649 983044468 /nfs/dbraw/zinc/04/44/68/983044468.db2.gz ACYPVLQKQBKCIW-ZDUSSCGKSA-N -1 2 418.446 3.620 20 0 HHADLM COc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000462098621 985069234 /nfs/dbraw/zinc/06/92/34/985069234.db2.gz DHEWFRWKPMLMOB-UHFFFAOYSA-N -1 2 409.769 3.866 20 0 HHADLM COc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000462107102 985077942 /nfs/dbraw/zinc/07/79/42/985077942.db2.gz XQWPETNIBCNBHC-UHFFFAOYSA-N -1 2 406.243 3.510 20 0 HHADLM Cc1ccc(Br)c(C(=O)[O-])c1NS(=O)(=O)c1ccc(F)c(F)c1F ZINC000463377624 986343815 /nfs/dbraw/zinc/34/38/15/986343815.db2.gz UITZIMMOFGUDDP-UHFFFAOYSA-N -1 2 424.194 3.674 20 0 HHADLM O=C([O-])Cc1cccc(NS(=O)(=O)c2cc(Cl)c(Br)cc2F)c1 ZINC000471603525 989806839 /nfs/dbraw/zinc/80/68/39/989806839.db2.gz TWAVBWNCTWEVGQ-UHFFFAOYSA-N -1 2 422.659 3.670 20 0 HHADLM CCc1c(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cnn1-c1ccccc1Cl ZINC000480233667 999752383 /nfs/dbraw/zinc/75/23/83/999752383.db2.gz ZLVLHIYZCFBCBP-UHFFFAOYSA-N -1 2 423.853 3.726 20 0 HHADLM CCc1c(NS(=O)(=O)c2cccc(C(=O)[O-])c2)cnn1-c1ccc(Cl)cc1 ZINC000480244436 999754869 /nfs/dbraw/zinc/75/48/69/999754869.db2.gz GUPVITCKRUJGPV-UHFFFAOYSA-N -1 2 405.863 3.587 20 0 HHADLM Cn1cc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1C(=O)[O-] ZINC000491094022 1000044995 /nfs/dbraw/zinc/04/49/95/1000044995.db2.gz XERMDJGEUSELRD-UHFFFAOYSA-N -1 2 406.847 3.970 20 0 HHADLM Cc1c(NS(=O)(=O)c2cc(F)c(Br)cc2F)cccc1C(=O)[O-] ZINC000534498166 1006496406 /nfs/dbraw/zinc/49/64/06/1006496406.db2.gz ROJLVFHQWJPASM-UHFFFAOYSA-N -1 2 406.204 3.535 20 0 HHADLM Cc1c(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cnn1-c1cc(C)ccc1C ZINC000533464323 1007774926 /nfs/dbraw/zinc/77/49/26/1007774926.db2.gz AASVMWXWCIRFFX-UHFFFAOYSA-N -1 2 413.499 3.616 20 0 HHADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(F)cc2OCC(F)F)c(Cl)c1 ZINC000540214179 1008338983 /nfs/dbraw/zinc/33/89/83/1008338983.db2.gz YEWFQOAENFJFNE-UHFFFAOYSA-N -1 2 409.769 3.622 20 0 HHADLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(F)ccc1SCC(F)F ZINC000523124383 1011590883 /nfs/dbraw/zinc/59/08/83/1011590883.db2.gz JUHZEKVPZPPKJF-UHFFFAOYSA-N -1 2 421.418 3.691 20 0 HHADLM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cccnc2OCc2ccccc2)c1C ZINC000591682763 1074486220 /nfs/dbraw/zinc/48/62/20/1074486220.db2.gz IOSBAUWUICORRV-UHFFFAOYSA-N -1 2 412.467 3.776 20 0 HHADLM COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cc1Cc1ccccc1 ZINC000013239898 962378784 /nfs/dbraw/zinc/37/87/84/962378784.db2.gz DJMKYXODURDPPV-UHFFFAOYSA-N -1 2 403.481 3.847 20 0 HHADLM O=C([O-])c1ccc(Oc2ccccc2)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000060376640 966120880 /nfs/dbraw/zinc/12/08/80/966120880.db2.gz RVABNBFZJBWSIQ-UHFFFAOYSA-N -1 2 414.395 3.886 20 0 HHADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(Cl)c(F)c2)c(Br)s1 ZINC000037045530 966470700 /nfs/dbraw/zinc/47/07/00/966470700.db2.gz DUCDSZXKLYALBP-UHFFFAOYSA-N -1 2 414.661 3.802 20 0 HHADLM CC(C)Oc1ccc(C#N)cc1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000063877874 966984485 /nfs/dbraw/zinc/98/44/85/966984485.db2.gz GNRYGKYDONGTQI-UHFFFAOYSA-N -1 2 412.826 3.637 20 0 HHADLM Cc1cc(S(=O)(=O)Nc2ccc(Cl)c(Br)c2)sc1C(=O)[O-] ZINC000126545408 969971880 /nfs/dbraw/zinc/97/18/80/969971880.db2.gz OZXCYQSDYAWSDM-UHFFFAOYSA-N -1 2 410.698 3.971 20 0 HHADLM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc(C)c1Br ZINC000391511525 972841065 /nfs/dbraw/zinc/84/10/65/972841065.db2.gz OAUVHIRSVDAGSP-UHFFFAOYSA-N -1 2 402.241 3.704 20 0 HHADLM CCc1cccc(C)c1NS(=O)(=O)c1cc(Br)cc(C(=O)[O-])c1F ZINC000391703732 972844490 /nfs/dbraw/zinc/84/44/90/972844490.db2.gz DODCZJJWLVURSU-UHFFFAOYSA-N -1 2 416.268 3.958 20 0 HHADLM CC(C)Oc1c(NS(=O)(=O)c2ccccc2-c2ccno2)cccc1C(=O)[O-] ZINC000410398154 973997111 /nfs/dbraw/zinc/99/71/11/973997111.db2.gz OHLPCWLXZYKBPC-UHFFFAOYSA-N -1 2 402.428 3.628 20 0 HHADLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccnc1-c1ccc(C)s1 ZINC000437655482 982272985 /nfs/dbraw/zinc/27/29/85/982272985.db2.gz NPFRYAILDDGESO-UHFFFAOYSA-N -1 2 404.469 3.626 20 0 HHADLM COc1c(Cl)cccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1Br ZINC000462080207 985051884 /nfs/dbraw/zinc/05/18/84/985051884.db2.gz KIQCMFUCMAAUNL-UHFFFAOYSA-N -1 2 420.668 3.610 20 0 HHADLM O=C([O-])CCC(=O)c1cccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2F)c1 ZINC000469089486 986803051 /nfs/dbraw/zinc/80/30/51/986803051.db2.gz YEWITENYVWXYAM-UHFFFAOYSA-N -1 2 419.352 3.693 20 0 HHADLM CCCOc1cc(F)ccc1NS(=O)(=O)c1cc(OC)c(C(=O)[O-])cc1Cl ZINC000470457968 988442227 /nfs/dbraw/zinc/44/22/27/988442227.db2.gz JGCJPMJURYLHKS-UHFFFAOYSA-N -1 2 417.842 3.776 20 0 HHADLM COc1ccc(CCC(=O)[O-])cc1NS(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000471125856 989232994 /nfs/dbraw/zinc/23/29/94/989232994.db2.gz UCVFNGQQYWIXFB-UHFFFAOYSA-N -1 2 401.843 3.614 20 0 HHADLM O=C([O-])c1cccc(NS(=O)(=O)c2cc(Cl)c(Br)cc2F)c1 ZINC000471594389 989798331 /nfs/dbraw/zinc/79/83/31/989798331.db2.gz CTQLVZTULYKFKT-UHFFFAOYSA-N -1 2 408.632 3.741 20 0 HHADLM O=C([O-])c1ccc(OC(F)(F)F)c(NS(=O)(=O)c2cccc3ncccc32)c1 ZINC000471986900 990153768 /nfs/dbraw/zinc/15/37/68/990153768.db2.gz ZPYMQOSGHZPTLP-UHFFFAOYSA-N -1 2 412.345 3.632 20 0 HHADLM O=C([O-])Cc1cccc(NS(=O)(=O)c2cc(Br)sc2Cl)c1 ZINC000484482287 996802236 /nfs/dbraw/zinc/80/22/36/996802236.db2.gz YYQXDFLXOHABQV-UHFFFAOYSA-N -1 2 410.698 3.592 20 0 HHADLM Cc1ccc(NS(=O)(=O)c2cc(C)c(F)cc2F)c(SCCC(=O)[O-])c1 ZINC000484504930 996833205 /nfs/dbraw/zinc/83/32/05/996833205.db2.gz RVHQRPXNXHQTQB-UHFFFAOYSA-N -1 2 401.456 3.949 20 0 HHADLM CCOc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)c1ccc(C(=O)C(C)C)cc1 ZINC000484958977 997336866 /nfs/dbraw/zinc/33/68/66/997336866.db2.gz KHRFQQAZDUTWBF-UHFFFAOYSA-N -1 2 409.435 3.562 20 0 HHADLM COc1ccc(Br)c(C(=O)[O-])c1NS(=O)(=O)c1cc(C)sc1C ZINC000484967258 997340050 /nfs/dbraw/zinc/34/00/50/997340050.db2.gz FRDHVIUIZGFYRH-UHFFFAOYSA-N -1 2 420.306 3.635 20 0 HHADLM COc1ccc(CCC(=O)[O-])cc1NS(=O)(=O)c1ccc(Cl)cc1Cl ZINC000485398941 997828922 /nfs/dbraw/zinc/82/89/22/997828922.db2.gz NRFZGWSCVGCGAD-UHFFFAOYSA-N -1 2 404.271 3.820 20 0 HHADLM Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn(CCC(C)C)c1C(C)C ZINC000486111363 998558614 /nfs/dbraw/zinc/55/86/14/998558614.db2.gz URYTWTRRLRNGKC-UHFFFAOYSA-N -1 2 411.499 3.999 20 0 HHADLM Cc1cc(S(=O)(=O)Nc2cnn(-c3ccc(Cl)cc3)c2)cc(C(=O)[O-])c1C ZINC000479561745 999478663 /nfs/dbraw/zinc/47/86/63/999478663.db2.gz YYVNWTDMNLRQDB-UHFFFAOYSA-N -1 2 405.863 3.642 20 0 HHADLM CCc1c(NS(=O)(=O)c2ccc(C(=O)CCC(=O)[O-])cc2)cnn1C(CC)CC ZINC000480202640 999743892 /nfs/dbraw/zinc/74/38/92/999743892.db2.gz SNXDMXBZCUXNSL-UHFFFAOYSA-N -1 2 421.519 3.655 20 0 HHADLM CCc1c(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)cnn1-c1ccccc1Cl ZINC000480217956 999748295 /nfs/dbraw/zinc/74/82/95/999748295.db2.gz BNSVBDPORSSCQS-UHFFFAOYSA-N -1 2 419.890 3.516 20 0 HHADLM O=C([O-])c1cc(NS(=O)(=O)c2cccnc2C(F)(F)F)cc(C(F)(F)F)c1 ZINC000489382708 999755533 /nfs/dbraw/zinc/75/55/33/999755533.db2.gz CUDQYRQYHZNKGE-UHFFFAOYSA-N -1 2 414.283 3.618 20 0 HHADLM Cc1cc(C)c(-c2cc(NS(=O)(=O)c3ccc(C(=O)[O-])c(F)c3)[nH]n2)cc1C ZINC000489718891 999823977 /nfs/dbraw/zinc/82/39/77/999823977.db2.gz LNTUFOWYZHFZHL-UHFFFAOYSA-N -1 2 403.435 3.640 20 0 HHADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc3nc(C(F)F)sc3c2)c(F)c1 ZINC000507646373 1002247228 /nfs/dbraw/zinc/24/72/28/1002247228.db2.gz XIURCZUWRWIVFS-UHFFFAOYSA-N -1 2 402.375 3.872 20 0 HHADLM COc1c(C)cc(C)cc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1OC(F)(F)F ZINC000509387985 1003816965 /nfs/dbraw/zinc/81/69/65/1003816965.db2.gz XKUVUYBTQJSIGC-UHFFFAOYSA-N -1 2 419.377 3.710 20 0 HHADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)c1 ZINC000512728468 1004522318 /nfs/dbraw/zinc/52/23/18/1004522318.db2.gz GSTFOAPURSPUSC-UHFFFAOYSA-N -1 2 417.418 3.561 20 0 HHADLM CCOc1cc(Br)ccc1NS(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000531653256 1006333447 /nfs/dbraw/zinc/33/34/47/1006333447.db2.gz YJBRFMGTXNHFPV-UHFFFAOYSA-N -1 2 420.306 3.717 20 0 HHADLM COc1cc(S(=O)(=O)Nc2cnoc2-c2ccccc2)c(Cl)cc1C(=O)[O-] ZINC000538498220 1006766502 /nfs/dbraw/zinc/76/65/02/1006766502.db2.gz NSQBMZDPYDSDGQ-UHFFFAOYSA-N -1 2 408.819 3.503 20 0 HHADLM CCc1c(NS(=O)(=O)c2cccc(CC(=O)[O-])c2)cnn1-c1cccc(Cl)c1 ZINC000518849636 1008444712 /nfs/dbraw/zinc/44/47/12/1008444712.db2.gz RWCVGABBNJKZGA-UHFFFAOYSA-N -1 2 419.890 3.516 20 0 HHADLM Cc1c(S(=O)(=O)Nc2c(C)ccc(F)c2C(=O)[O-])cnn1-c1ccc(Cl)cc1 ZINC000547882510 1010460518 /nfs/dbraw/zinc/46/05/18/1010460518.db2.gz SLXQCLVTVINUJJ-UHFFFAOYSA-N -1 2 423.853 3.781 20 0 HHADLM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(Oc3cccnc3)nc2)c1Cl ZINC000760270576 1071815814 /nfs/dbraw/zinc/81/58/14/1071815814.db2.gz YXKOZIKXZWTAAS-UHFFFAOYSA-N -1 2 419.846 3.730 20 0 HHADLM Cc1cc(S(=O)(=O)Nc2cnn(-c3ccccc3Cl)c2)cc(C(=O)[O-])c1C ZINC000760363676 1072281021 /nfs/dbraw/zinc/28/10/21/1072281021.db2.gz QIVZMYGRUPNQTC-UHFFFAOYSA-N -1 2 405.863 3.642 20 0 HHADLM CCOCCOc1ccc(Cl)cc1NS(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000591684272 1074487278 /nfs/dbraw/zinc/48/72/78/1074487278.db2.gz UCZBMHWADVWIRS-UHFFFAOYSA-N -1 2 419.908 3.624 20 0 HHADLM O=C([O-])c1cccc(S(=O)(=O)Nc2nc3ccc(Br)cc3s2)c1 ZINC000013347081 962388546 /nfs/dbraw/zinc/38/85/46/962388546.db2.gz PMJYYUYGSOBYJD-UHFFFAOYSA-N -1 2 413.274 3.558 20 0 HHADLM CCOc1cc2c(cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl)O[C@H](C)C2 ZINC000022244859 963616500 /nfs/dbraw/zinc/61/65/00/963616500.db2.gz IMTKMJWBSDAUEJ-SNVBAGLBSA-N -1 2 411.863 3.561 20 0 HHADLM CCCOc1ccc(Cl)cc1NS(=O)(=O)c1cc(CC(=O)[O-])ccc1OC ZINC000057119206 965289609 /nfs/dbraw/zinc/28/96/09/965289609.db2.gz ASJUNWHFLHPWBK-UHFFFAOYSA-N -1 2 413.879 3.565 20 0 HHADLM CC(C)(C(=O)[O-])c1ccc(NS(=O)(=O)c2ccc(Br)cc2F)cc1 ZINC000326699009 972746674 /nfs/dbraw/zinc/74/66/74/972746674.db2.gz MLHOEGYRTWNORM-UHFFFAOYSA-N -1 2 416.268 3.751 20 0 HHADLM O=C([O-])c1cc(NS(=O)(=O)c2cccc(Br)c2F)ccc1Cl ZINC000410372199 973967772 /nfs/dbraw/zinc/96/77/72/973967772.db2.gz HTVLPXXILYMDDR-UHFFFAOYSA-N -1 2 408.632 3.741 20 0 HHADLM O=C([O-])CCCc1ccc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2F)cc1 ZINC000427342013 975064672 /nfs/dbraw/zinc/06/46/72/975064672.db2.gz KEKZGRYXUQCHCO-UHFFFAOYSA-N -1 2 421.368 3.932 20 0 HHADLM CCCc1c(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cnn1-c1ccc(F)cc1 ZINC000432083300 978673556 /nfs/dbraw/zinc/67/35/56/978673556.db2.gz WSRBLLOENLZUPH-UHFFFAOYSA-N -1 2 423.491 3.833 20 0 HHADLM O=C([O-])c1cc(NS(=O)(=O)c2cnc(-c3ccccc3)nc2)cc(Cl)c1Cl ZINC000436006251 981148583 /nfs/dbraw/zinc/14/85/83/981148583.db2.gz IRNNCWKOVCMKNX-UHFFFAOYSA-N -1 2 424.265 3.949 20 0 HHADLM O=C([O-])CCC(=O)c1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2F)c1 ZINC000436027563 981165622 /nfs/dbraw/zinc/16/56/22/981165622.db2.gz MOAMPFIWNZZVNT-UHFFFAOYSA-N -1 2 419.352 3.693 20 0 HHADLM CCC(=O)c1ccc(O)c([N-]S(=O)(=O)Cc2cc(-c3ccc(F)cc3)no2)c1 ZINC000436606034 981470337 /nfs/dbraw/zinc/47/03/37/981470337.db2.gz LJZBHZSXPRWKBJ-UHFFFAOYSA-N -1 2 404.419 3.721 20 0 HHADLM COc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1ccc(C(=O)C(C)C)cc1 ZINC000438763309 983055040 /nfs/dbraw/zinc/05/50/40/983055040.db2.gz ZRIBIWKQJGLBEH-UHFFFAOYSA-N -1 2 411.863 3.686 20 0 HHADLM CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c2ncccc12 ZINC000463783718 986774422 /nfs/dbraw/zinc/77/44/22/986774422.db2.gz CQMWCERAWMUUIH-UHFFFAOYSA-N -1 2 406.847 3.786 20 0 HHADLM Cc1ccc(NS(=O)(=O)c2ccccc2OC(F)F)c(SCCC(=O)[O-])c1 ZINC000484496089 996821058 /nfs/dbraw/zinc/82/10/58/996821058.db2.gz DICKSOMDYXBPBU-UHFFFAOYSA-N -1 2 417.455 3.964 20 0 HHADLM Cc1ccc(NS(=O)(=O)c2cc(Br)sc2Cl)cc1C(=O)[O-] ZINC000484817336 997175567 /nfs/dbraw/zinc/17/55/67/997175567.db2.gz WGKSPSMDATVULC-UHFFFAOYSA-N -1 2 410.698 3.971 20 0 HHADLM C[C@@H](Cc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2F)cc1)C(=O)[O-] ZINC000479198088 999322323 /nfs/dbraw/zinc/32/23/23/999322323.db2.gz IKERLVIBXPAECA-JTQLQIEISA-N -1 2 405.369 3.909 20 0 HHADLM CCc1c(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)cnn1-c1cccc(C)c1 ZINC000480190374 999740590 /nfs/dbraw/zinc/74/05/90/999740590.db2.gz BBVWVGNBFSNPII-UHFFFAOYSA-N -1 2 417.462 3.690 20 0 HHADLM CCOc1ccc(Oc2ccccc2NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cc1 ZINC000491092955 1000044786 /nfs/dbraw/zinc/04/47/86/1000044786.db2.gz UVKPFVZRZHHJAP-UHFFFAOYSA-N -1 2 416.455 3.715 20 0 HHADLM CCc1c(NS(=O)(=O)c2cccc(CC(=O)[O-])c2)cnn1-c1ccc(Cl)cc1 ZINC000516822966 1007312019 /nfs/dbraw/zinc/31/20/19/1007312019.db2.gz JAPYJVNZMXASRA-UHFFFAOYSA-N -1 2 419.890 3.516 20 0 HHADLM O=C([O-])CCCc1ccc(NS(=O)(=O)c2cc(Br)ccc2F)cc1 ZINC000533953086 1008230028 /nfs/dbraw/zinc/23/00/28/1008230028.db2.gz KHVFBQPNNGALIE-UHFFFAOYSA-N -1 2 416.268 3.796 20 0 HHADLM O=C([O-])Cc1ccc(NS(=O)(=O)c2cc(Br)sc2Cl)cc1 ZINC000545829262 1008914181 /nfs/dbraw/zinc/91/41/81/1008914181.db2.gz INAMTGBDMGPTIT-UHFFFAOYSA-N -1 2 410.698 3.592 20 0 HHADLM Cc1cc(S(=O)(=O)Nc2ccc(Cc3nc(C(C)C)no3)cc2)sc1C(=O)[O-] ZINC000549943774 1009552710 /nfs/dbraw/zinc/55/27/10/1009552710.db2.gz MDNITGFLYQZAJR-UHFFFAOYSA-N -1 2 421.500 3.653 20 0 HHADLM O=C([O-])c1csc(S(=O)(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)c1 ZINC000520975706 1010018745 /nfs/dbraw/zinc/01/87/45/1010018745.db2.gz MKQRDXMNKCLRMN-UHFFFAOYSA-N -1 2 424.887 3.875 20 0 HHADLM C[C@@H](Cc1ccc(NS(=O)(=O)c2cc(Br)ccc2F)cc1)C(=O)[O-] ZINC000544646375 1010271537 /nfs/dbraw/zinc/27/15/37/1010271537.db2.gz GRJOZBQSQYXVMY-JTQLQIEISA-N -1 2 416.268 3.652 20 0 HHADLM Cc1c(Br)cc(NS(=O)(=O)c2cccc(F)c2F)cc1C(=O)[O-] ZINC000551114893 1010379397 /nfs/dbraw/zinc/37/93/97/1010379397.db2.gz HLZIBVIYPHWPMF-UHFFFAOYSA-N -1 2 406.204 3.535 20 0 HHADLM Cc1ccc(NS(=O)(=O)c2cccnc2C(F)(F)F)c(SCCC(=O)[O-])c1 ZINC000548768577 1010726042 /nfs/dbraw/zinc/72/60/42/1010726042.db2.gz KBRZFBCACSQJNB-UHFFFAOYSA-N -1 2 420.434 3.776 20 0 HHADLM Cc1cc(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)nn1-c1ccccc1Cl ZINC000540696139 1011348212 /nfs/dbraw/zinc/34/82/12/1011348212.db2.gz KRWKWMRYFHXOCF-UHFFFAOYSA-N -1 2 419.890 3.950 20 0 HHADLM O=C([O-])CCC(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2O)cc1 ZINC000541807646 1012691158 /nfs/dbraw/zinc/69/11/58/1012691158.db2.gz RNYXYXSQOQALSO-UHFFFAOYSA-N -1 2 418.254 3.547 20 0 HHADLM Cc1ccccc1-c1cc(NS(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)[nH]n1 ZINC000542006685 1012888226 /nfs/dbraw/zinc/88/82/26/1012888226.db2.gz SJLKJNFBTPHTPZ-UHFFFAOYSA-N -1 2 413.499 3.738 20 0 HHADLM O=c1[nH]nc(-c2cc([N-]S(=O)(=O)c3ccc(Cl)s3)cc(C(F)(F)F)c2)[nH]1 ZINC000589979256 1073455934 /nfs/dbraw/zinc/45/59/34/1073455934.db2.gz KEMFSQVNAJGYHW-UHFFFAOYSA-N -1 2 424.813 3.712 20 0 HHADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2cc(F)c(OC(C)C)c(F)c2)c1 ZINC000542234461 1013190654 /nfs/dbraw/zinc/19/06/54/1013190654.db2.gz IHFTZZKOPQWDIY-UHFFFAOYSA-N -1 2 403.378 3.699 20 0 HHADLM COc1ccc(Cl)cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1Br ZINC000013264844 962381411 /nfs/dbraw/zinc/38/14/11/962381411.db2.gz NAMVRJIDLCTZAI-UHFFFAOYSA-N -1 2 420.668 3.610 20 0 HHADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccc3ncsc3c2)c(Br)s1 ZINC000319380148 972671341 /nfs/dbraw/zinc/67/13/41/972671341.db2.gz JDMURXIUUUDTPV-UHFFFAOYSA-N -1 2 419.303 3.619 20 0 HHADLM O=C([O-])c1cc(NS(=O)(=O)c2cccc3c2N=S=N3)ccc1Br ZINC000322601436 972701641 /nfs/dbraw/zinc/70/16/41/972701641.db2.gz MHMUHHFEVJEPRR-UHFFFAOYSA-N -1 2 414.262 3.675 20 0 HHADLM O=C([O-])c1cc(S(=O)(=O)Nc2cccc3ccncc32)c(Br)s1 ZINC000390949592 972834288 /nfs/dbraw/zinc/83/42/88/972834288.db2.gz VUQUUBLNMQQHAY-UHFFFAOYSA-N -1 2 413.274 3.558 20 0 HHADLM CC(C)(C(=O)[O-])c1ccc(NS(=O)(=O)c2cccc(Br)c2F)cc1 ZINC000410377486 973976034 /nfs/dbraw/zinc/97/60/34/973976034.db2.gz BWJJNRYCOGZWAQ-UHFFFAOYSA-N -1 2 416.268 3.751 20 0 HHADLM COc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(Cl)cc1Br ZINC000410382718 973981435 /nfs/dbraw/zinc/98/14/35/973981435.db2.gz NSGHKBQKJIPIER-UHFFFAOYSA-N -1 2 420.668 3.610 20 0 HHADLM C[C@@H](CC(=O)[O-])c1ccc(NS(=O)(=O)c2cccc(Br)c2F)cc1 ZINC000410402363 974002396 /nfs/dbraw/zinc/00/23/96/974002396.db2.gz ZSHUCDXUABEKQD-JTQLQIEISA-N -1 2 416.268 3.967 20 0 HHADLM CC(C)Oc1c(NS(=O)(=O)c2ccccc2C(F)(F)F)cccc1C(=O)[O-] ZINC000410405727 974005428 /nfs/dbraw/zinc/00/54/28/974005428.db2.gz ZDEJUBGHTYWWIF-UHFFFAOYSA-N -1 2 403.378 3.992 20 0 HHADLM O=C([O-])c1cc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2F)ccc1Cl ZINC000427217321 974984899 /nfs/dbraw/zinc/98/48/99/974984899.db2.gz HWPCFPZATCULIE-UHFFFAOYSA-N -1 2 413.732 3.877 20 0 HHADLM CCCc1c(NS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cnn1-c1ccc(C)cc1 ZINC000431890282 978580479 /nfs/dbraw/zinc/58/04/79/978580479.db2.gz CQHSFBCJSKLLCV-UHFFFAOYSA-N -1 2 417.462 3.771 20 0 HHADLM CCCc1c(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)cnn1-c1ccccc1C ZINC000432054396 978662660 /nfs/dbraw/zinc/66/26/60/978662660.db2.gz LFLQFONVIUQINM-UHFFFAOYSA-N -1 2 413.499 3.561 20 0 HHADLM CC[C@H](Cc1ccc(NS(=O)(=O)c2cnc(-c3ccccc3)nc2)cc1)C(=O)[O-] ZINC000436182548 981239683 /nfs/dbraw/zinc/23/96/83/981239683.db2.gz USYJOAAFVLBNQP-MRXNPFEDSA-N -1 2 411.483 3.598 20 0 HHADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)c(F)c1 ZINC000438788640 983070776 /nfs/dbraw/zinc/07/07/76/983070776.db2.gz FVSKBOBJQGZOTN-UHFFFAOYSA-N -1 2 414.414 3.577 20 0 HHADLM Cc1ccc(Br)c(C(=O)[O-])c1NS(=O)(=O)c1cccc(F)c1F ZINC000463365641 986331320 /nfs/dbraw/zinc/33/13/20/986331320.db2.gz FFSFKDMFXUYSQM-UHFFFAOYSA-N -1 2 406.204 3.535 20 0 HHADLM Cc1cc(C(=O)Nc2ccc3oc(CC(C)(C)C)nc3c2)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000469228902 986949486 /nfs/dbraw/zinc/94/94/86/986949486.db2.gz NZELHQKSLMQZDR-UHFFFAOYSA-N -1 2 407.430 3.727 20 0 HHADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1 ZINC000466286711 991534036 /nfs/dbraw/zinc/53/40/36/991534036.db2.gz IXWBIQKXICKBSD-UHFFFAOYSA-N -1 2 412.423 3.819 20 0 HHADLM Cc1ccc(-n2cc(NS(=O)(=O)c3ccc(C(=O)[O-])cc3Cl)cn2)c(C)c1 ZINC000466407854 991702281 /nfs/dbraw/zinc/70/22/81/991702281.db2.gz DCHIVFOIQFCEQM-UHFFFAOYSA-N -1 2 405.863 3.642 20 0 HHADLM COc1cc(C)ccc1Oc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])oc2C)cn1 ZINC000467767847 993009519 /nfs/dbraw/zinc/00/95/19/993009519.db2.gz GBHROJFBVAXIOY-UHFFFAOYSA-N -1 2 418.427 3.591 20 0 HHADLM CCOc1cc(C)ccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1OC(F)(F)F ZINC000486083271 998529874 /nfs/dbraw/zinc/52/98/74/998529874.db2.gz SSFRTKUNLCRJHW-UHFFFAOYSA-N -1 2 419.377 3.791 20 0 HHADLM CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2cc(C)c(C)cc2C(=O)[O-])cc1Cl ZINC000478671739 999080910 /nfs/dbraw/zinc/08/09/10/999080910.db2.gz FGZVCWZRUVMACV-UHFFFAOYSA-N -1 2 414.842 3.553 20 0 HHADLM CCc1c(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)cnn1-c1cccc(Cl)c1 ZINC000480201736 999743602 /nfs/dbraw/zinc/74/36/02/999743602.db2.gz VIOOGLVUIDSKRJ-UHFFFAOYSA-N -1 2 419.890 3.896 20 0 HHADLM CCn1cc(S(=O)(=O)Nc2ccc3nc(-c4ccccc4)[nH]c3c2)cc1C(=O)[O-] ZINC000491573210 1000084913 /nfs/dbraw/zinc/08/49/13/1000084913.db2.gz QYTKRQFVRDDZAN-UHFFFAOYSA-N -1 2 410.455 3.550 20 0 HHADLM Cc1cc(NS(=O)(=O)c2cc(Br)c(F)cc2F)cc(C(=O)[O-])c1 ZINC000507567639 1002171743 /nfs/dbraw/zinc/17/17/43/1002171743.db2.gz NLCVTBISRFYYKK-UHFFFAOYSA-N -1 2 406.204 3.535 20 0 HHADLM CC(C)Cn1ncc(NS(=O)(=O)c2ccc(C(=O)CCC(=O)[O-])cc2)c1C(C)C ZINC000499262088 1002665197 /nfs/dbraw/zinc/66/51/97/1002665197.db2.gz GJDSHHKAAUAMEK-UHFFFAOYSA-N -1 2 421.519 3.511 20 0 HHADLM CC(C)Cn1ncc(NS(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)c1C(C)C ZINC000499272671 1002678396 /nfs/dbraw/zinc/67/83/96/1002678396.db2.gz MCZCKTBECGRZGE-UHFFFAOYSA-N -1 2 405.520 3.650 20 0 HHADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2cc(Cc3ccccn3)ccc2C)c1 ZINC000509383491 1003812789 /nfs/dbraw/zinc/81/27/89/1003812789.db2.gz IISYDSIBNFZPTD-UHFFFAOYSA-N -1 2 414.458 3.927 20 0 HHADLM Cc1cc(S(=O)(=O)Nc2cccc(C(=O)c3ccccc3)c2)sc1C(=O)[O-] ZINC000509618803 1003984628 /nfs/dbraw/zinc/98/46/28/1003984628.db2.gz LEJQYZLIYHHICV-UHFFFAOYSA-N -1 2 401.465 3.787 20 0 HHADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2ccc(OC(F)F)c(Cl)c2)c1 ZINC000512724466 1004519713 /nfs/dbraw/zinc/51/97/13/1004519713.db2.gz DBMKDLYNTABFLD-UHFFFAOYSA-N -1 2 409.769 3.888 20 0 HHADLM Cc1c(Br)cc(NS(=O)(=O)c2ccc(F)c(F)c2F)cc1C(=O)[O-] ZINC000519653725 1008941442 /nfs/dbraw/zinc/94/14/42/1008941442.db2.gz HGQMRZYSSRAXJQ-UHFFFAOYSA-N -1 2 424.194 3.674 20 0 HHADLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2ccccc2[nH]1 ZINC000520360301 1009497789 /nfs/dbraw/zinc/49/77/89/1009497789.db2.gz IWSVQXUUMZVIQE-UHFFFAOYSA-N -1 2 423.450 3.738 20 0 HHADLM Cc1ccc(Br)c(C(=O)[O-])c1NS(=O)(=O)c1c(C)cccc1F ZINC000547938894 1010474768 /nfs/dbraw/zinc/47/47/68/1010474768.db2.gz OALPTOMYYDKYEO-UHFFFAOYSA-N -1 2 402.241 3.704 20 0 HHADLM COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1c(C)ccc(Cl)c1C(=O)[O-] ZINC000548529626 1010657314 /nfs/dbraw/zinc/65/73/14/1010657314.db2.gz TYRNHUHFWLQKTA-UHFFFAOYSA-N -1 2 418.254 3.587 20 0 HHADLM COc1cccc([C@H]2[C@H](NS(=O)(=O)c3cc4ccccc4o3)CC[N@H+]2C2CC2)c1 ZINC000540894699 1011569102 /nfs/dbraw/zinc/56/91/02/1011569102.db2.gz IYQXYSQWDFPTOK-KNQAVFIVSA-N -1 2 412.511 3.698 20 0 HHADLM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccnc1OCc1ccccc1 ZINC000591682512 1074486752 /nfs/dbraw/zinc/48/67/52/1074486752.db2.gz CEEWEOCPZCCVGT-UHFFFAOYSA-N -1 2 412.467 3.722 20 0 HHADLM Cc1cc(C)c(S(=O)(=O)Nc2cccnc2OCc2ccccc2)cc1C(=O)[O-] ZINC000591683594 1074487750 /nfs/dbraw/zinc/48/77/50/1074487750.db2.gz ZQQWVJYYFRQEMP-UHFFFAOYSA-N -1 2 412.467 3.776 20 0 HHADLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1SCC(F)(F)F ZINC000023043350 963758731 /nfs/dbraw/zinc/75/87/31/963758731.db2.gz OTLPQGBRGGLYME-UHFFFAOYSA-N -1 2 421.418 3.849 20 0 HHADLM CC(=O)Nc1ccc(Cl)cc1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000058495051 965755153 /nfs/dbraw/zinc/75/51/53/965755153.db2.gz WPESJOZEDOHTNP-UHFFFAOYSA-N -1 2 421.233 3.590 20 0 HHADLM C[C@@H](Cc1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2F)cc1)C(=O)[O-] ZINC000542733907 1013646034 /nfs/dbraw/zinc/64/60/34/1013646034.db2.gz JQYMXDFEVGDAOK-JTQLQIEISA-N -1 2 405.369 3.909 20 0 HHADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccc3nc(-c4ccccc4Cl)[nH]c3c2)c[nH]1 ZINC000072071371 968972413 /nfs/dbraw/zinc/97/24/13/968972413.db2.gz VNPGXWNNGVEKMQ-UHFFFAOYSA-N -1 2 416.846 3.710 20 0 HHADLM Cc1cc(NS(=O)(=O)c2c(Cl)cccc2Br)ccc1C(=O)[O-] ZINC000319266396 972669531 /nfs/dbraw/zinc/66/95/31/972669531.db2.gz ZMCQDPJIYCRIAV-UHFFFAOYSA-N -1 2 404.669 3.910 20 0 HHADLM Cc1cccc(C)c1NS(=O)(=O)c1cc(Br)cc(C(=O)[O-])c1F ZINC000319997602 972674475 /nfs/dbraw/zinc/67/44/75/972674475.db2.gz MGUWDUWOUHQHCV-UHFFFAOYSA-N -1 2 402.241 3.704 20 0 HHADLM Cc1cccc(NS(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2F)c1C ZINC000320238173 972678008 /nfs/dbraw/zinc/67/80/08/972678008.db2.gz YGOJRNIDXSULKB-UHFFFAOYSA-N -1 2 402.241 3.704 20 0 HHADLM Cc1ccc(NS(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2F)cc1F ZINC000320189919 972678018 /nfs/dbraw/zinc/67/80/18/972678018.db2.gz PSMZNQDYMSGHIW-UHFFFAOYSA-N -1 2 406.204 3.535 20 0 HHADLM CC(=O)Nc1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)c(C(=O)[O-])c1 ZINC000323936833 972716789 /nfs/dbraw/zinc/71/67/89/972716789.db2.gz BQCJGVURXNDYII-UHFFFAOYSA-N -1 2 409.272 3.512 20 0 HHADLM Cc1ccc2cccc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3Br)c2n1 ZINC000327601871 972760358 /nfs/dbraw/zinc/76/03/58/972760358.db2.gz KDKLBFOFDMJJNZ-UHFFFAOYSA-N -1 2 421.272 3.805 20 0 HHADLM O=C([O-])c1ccc(NS(=O)(=O)c2ccc(Br)cc2F)cc1Cl ZINC000388388330 972805750 /nfs/dbraw/zinc/80/57/50/972805750.db2.gz IOEJKZCWCAOAQP-UHFFFAOYSA-N -1 2 408.632 3.741 20 0 HHADLM Cc1ccc2cccc(NS(=O)(=O)c3ccc(C(=O)[O-])cc3Br)c2n1 ZINC000392940785 972858749 /nfs/dbraw/zinc/85/87/49/972858749.db2.gz VFSVJBGNXSWBCN-UHFFFAOYSA-N -1 2 421.272 3.805 20 0 HHADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)c(F)c1 ZINC000425955720 974061200 /nfs/dbraw/zinc/06/12/00/974061200.db2.gz AGIPXWAANNEBDT-UHFFFAOYSA-N -1 2 420.462 3.844 20 0 HHADLM CCCc1c(NS(=O)(=O)c2csc(C(=O)[O-])c2)cnn1-c1ccccc1C ZINC000432055693 978663351 /nfs/dbraw/zinc/66/33/51/978663351.db2.gz TUUUZKCBOYGUFU-UHFFFAOYSA-N -1 2 405.501 3.694 20 0 HHADLM CC(C)(C(=O)[O-])c1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2O)cc1 ZINC000436474831 981392319 /nfs/dbraw/zinc/39/23/19/981392319.db2.gz DWJFJKWOCWXUQR-UHFFFAOYSA-N -1 2 403.378 3.574 20 0 HHADLM COc1cc(C(=O)[O-])cc(NS(=O)(=O)c2ccccc2-c2ccccc2)c1OC ZINC000467319768 992641734 /nfs/dbraw/zinc/64/17/34/992641734.db2.gz NBYKIJMKPWIILW-UHFFFAOYSA-N -1 2 413.451 3.870 20 0 HHADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(Oc2cccc(C)c2C)nc1 ZINC000467757340 993001872 /nfs/dbraw/zinc/00/18/72/993001872.db2.gz KFUVCIVTUHPQLV-UHFFFAOYSA-N -1 2 402.428 3.891 20 0 HHADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1COCc1ccccc1 ZINC000467761293 993005234 /nfs/dbraw/zinc/00/52/34/993005234.db2.gz XOEYJZDONXONGO-UHFFFAOYSA-N -1 2 401.440 3.804 20 0 HHADLM Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cc(Br)sc1Cl ZINC000484565606 996898778 /nfs/dbraw/zinc/89/87/78/996898778.db2.gz LQJBVYVTHAURHN-UHFFFAOYSA-N -1 2 410.698 3.971 20 0 HHADLM CCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc3c2C[N@@H+](CC(C)C)C3)cc1 ZINC000486778525 998936439 /nfs/dbraw/zinc/93/64/39/998936439.db2.gz XXZDRGTXLUALAH-UHFFFAOYSA-N -1 2 401.532 3.808 20 0 HHADLM O=S(=O)(Nc1ccc2nn[nH]c2c1)c1ccc2cc(Br)ccc2c1 ZINC000479517772 999455905 /nfs/dbraw/zinc/45/59/05/999455905.db2.gz YEBOQPNJMORUSF-UHFFFAOYSA-N -1 2 403.261 3.674 20 0 HHADLM COc1cc(S(=O)(=O)Nc2cccc(C(C)(C)C)c2O)c(Cl)cc1C(=O)[O-] ZINC000479555333 999475485 /nfs/dbraw/zinc/47/54/85/999475485.db2.gz DJNXGRDCPUYKTH-UHFFFAOYSA-N -1 2 413.879 3.851 20 0 HHADLM C[C@@H](Cc1ccc(NS(=O)(=O)c2ccc(Br)cc2F)cc1)C(=O)[O-] ZINC000479572707 999484728 /nfs/dbraw/zinc/48/47/28/999484728.db2.gz GKWXAVAWPHUOON-JTQLQIEISA-N -1 2 416.268 3.652 20 0 HHADLM CC(C)c1nc(-c2ccccc2NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)n[nH]1 ZINC000489744756 999829579 /nfs/dbraw/zinc/82/95/79/999829579.db2.gz MBKSYWUIWDIKMN-UHFFFAOYSA-N -1 2 420.878 3.748 20 0 HHADLM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC000507607214 1002213413 /nfs/dbraw/zinc/21/34/13/1002213413.db2.gz RQNQRLJRGWPUPJ-UHFFFAOYSA-N -1 2 418.254 3.587 20 0 HHADLM O=C([O-])c1ccc(NS(=O)(=O)c2cc(Br)ccc2F)cc1Cl ZINC000500315452 1003619075 /nfs/dbraw/zinc/61/90/75/1003619075.db2.gz LJPSZWXGLNCJBS-UHFFFAOYSA-N -1 2 408.632 3.741 20 0 HHADLM Cc1nn(-c2ccccc2)cc1NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C ZINC000510138637 1004350444 /nfs/dbraw/zinc/35/04/44/1004350444.db2.gz FSWPPIAUWWGLRJ-UHFFFAOYSA-N -1 2 405.863 3.642 20 0 HHADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2ccc(F)c(Br)c2)c1 ZINC000512775596 1004552129 /nfs/dbraw/zinc/55/21/29/1004552129.db2.gz AMBYEMCWSSUHCN-UHFFFAOYSA-N -1 2 406.204 3.535 20 0 HHADLM Cc1cc(C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000512928470 1004701854 /nfs/dbraw/zinc/70/18/54/1004701854.db2.gz HWLOWWGNIXSCIO-UHFFFAOYSA-N -1 2 413.846 3.774 20 0 HHADLM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(F)ccc1OCC(F)(F)F ZINC000531446245 1006202176 /nfs/dbraw/zinc/20/21/76/1006202176.db2.gz CRZMEBJZZAVVID-UHFFFAOYSA-N -1 2 413.370 3.636 20 0 HHADLM Cc1cc(NS(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)nn1-c1ccccc1 ZINC000543870015 1009437212 /nfs/dbraw/zinc/43/72/12/1009437212.db2.gz NVIAXLDSJYSQKX-UHFFFAOYSA-N -1 2 413.499 3.534 20 0 HHADLM Cc1cc(-c2nc(C3CC3)no2)ccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000544098073 1009707355 /nfs/dbraw/zinc/70/73/55/1009707355.db2.gz DLILYFJUCKZIAV-UHFFFAOYSA-N -1 2 417.418 3.561 20 0 HHADLM CCCc1c(NS(=O)(=O)c2cccc(C(=O)[O-])c2C)cnn1-c1cccc(F)c1 ZINC000541306925 1012013179 /nfs/dbraw/zinc/01/31/79/1012013179.db2.gz RXGPMHQUZAMJIS-UHFFFAOYSA-N -1 2 417.462 3.771 20 0 HHADLM Cc1cc(C)c(C(=O)[O-])cc1NS(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000572460229 1073292167 /nfs/dbraw/zinc/29/21/67/1073292167.db2.gz IJZNVVSKVUKPRA-UHFFFAOYSA-N -1 2 407.341 3.840 20 0 HHADLM O=C(c1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(Cl)c1O)N1CCCC1 ZINC000555528901 452922684 /nfs/dbraw/zinc/92/26/84/452922684.db2.gz WSNLLUJIGQTNGL-UHFFFAOYSA-N -1 2 415.298 3.736 20 0 HHADLM CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cccc(Br)c1F ZINC000410363131 973955932 /nfs/dbraw/zinc/95/59/32/973955932.db2.gz FMBLWCXSGCSGMN-UHFFFAOYSA-N -1 2 420.281 3.809 20 0 HHADLM CC(C)Oc1c(NS(=O)(=O)c2ccccc2OC(F)(F)F)cccc1C(=O)[O-] ZINC000410404139 974004028 /nfs/dbraw/zinc/00/40/28/974004028.db2.gz UXZAHKMVLUOINF-UHFFFAOYSA-N -1 2 419.377 3.871 20 0 HHADLM O=S(=O)(Nc1ccc2[nH]nnc2c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000426304998 974384485 /nfs/dbraw/zinc/38/44/85/974384485.db2.gz VEXBCHIPDLXFFM-UHFFFAOYSA-N -1 2 410.299 3.796 20 0 HHADLM Cc1cc(C)c(S(=O)(=O)Nc2c(C)ccc(Br)c2C(=O)[O-])s1 ZINC000430990333 977935140 /nfs/dbraw/zinc/93/51/40/977935140.db2.gz WEDUTUVFBCLAOR-UHFFFAOYSA-N -1 2 404.307 3.935 20 0 HHADLM Cc1cc(C)c(S(=O)(=O)Nc2cc(Br)c(C)c(C(=O)[O-])c2)s1 ZINC000430992169 977937398 /nfs/dbraw/zinc/93/73/98/977937398.db2.gz SFZLVBQVTMBNGX-UHFFFAOYSA-N -1 2 404.307 3.935 20 0 HHADLM CSc1ccccc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1OC(F)(F)F ZINC000436161227 981227746 /nfs/dbraw/zinc/22/77/46/981227746.db2.gz BLPPVVDHMDKREO-UHFFFAOYSA-N -1 2 407.391 3.806 20 0 HHADLM CC[N@H+]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2ccc(O)c(C(=O)[O-])c2)C1 ZINC000436829172 981579696 /nfs/dbraw/zinc/57/96/96/981579696.db2.gz KWDAPEUTDFSYOS-ZROIWOOFSA-N -1 2 404.422 3.713 20 0 HHADLM CC[N@@H+]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2ccc(O)c(C(=O)[O-])c2)C1 ZINC000436829172 981579701 /nfs/dbraw/zinc/57/97/01/981579701.db2.gz KWDAPEUTDFSYOS-ZROIWOOFSA-N -1 2 404.422 3.713 20 0 HHADLM COc1cc(Oc2ccccc2)ccc1NC(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[n-]1 ZINC000437909995 982457161 /nfs/dbraw/zinc/45/71/61/982457161.db2.gz UBXATYLXSGWKMW-UHFFFAOYSA-N -1 2 418.409 3.798 20 0 HHADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1C(=O)Nc1cccc(C)c1 ZINC000462073311 985045520 /nfs/dbraw/zinc/04/55/20/985045520.db2.gz LGJBNFXPPJBAAV-UHFFFAOYSA-N -1 2 414.439 3.648 20 0 HHADLM O=C([O-])c1csc(S(=O)(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)c1 ZINC000443412825 985569136 /nfs/dbraw/zinc/56/91/36/985569136.db2.gz CYWKLGKYTBZSNS-UHFFFAOYSA-N -1 2 415.798 3.842 20 0 HHADLM CCOc1c(Cl)cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)cc1Cl ZINC000464543884 988720750 /nfs/dbraw/zinc/72/07/50/988720750.db2.gz MGEZPNMZZQFJST-UHFFFAOYSA-N -1 2 406.243 3.597 20 0 HHADLM O=C([O-])c1ccc(NS(=O)(=O)c2cc(Cl)c(Br)cc2F)cc1 ZINC000471597459 989800904 /nfs/dbraw/zinc/80/09/04/989800904.db2.gz OZDSPDGIIRPCTQ-UHFFFAOYSA-N -1 2 408.632 3.741 20 0 HHADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cnn(-c3ccc(Cl)cc3Cl)c2)cc1 ZINC000473438334 994288064 /nfs/dbraw/zinc/28/80/64/994288064.db2.gz ZYBFZKDXYFGNAA-UHFFFAOYSA-N -1 2 412.254 3.678 20 0 HHADLM COc1cc(C(=O)[O-])cc(NS(=O)(=O)c2ccc(Cl)c(F)c2Cl)c1OC ZINC000473443088 994292534 /nfs/dbraw/zinc/29/25/34/994292534.db2.gz KMELIRBXQBQQBC-UHFFFAOYSA-N -1 2 424.233 3.649 20 0 HHADLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1csc(C)n1 ZINC000475825470 996395524 /nfs/dbraw/zinc/39/55/24/996395524.db2.gz HESAEKNQGBMOFJ-UHFFFAOYSA-N -1 2 404.469 3.626 20 0 HHADLM O=C([O-])c1cc(NS(=O)(=O)c2cc(Br)sc2Cl)ccc1F ZINC000484536942 996870214 /nfs/dbraw/zinc/87/02/14/996870214.db2.gz XWGNQQJPGSETKG-UHFFFAOYSA-N -1 2 414.661 3.802 20 0 HHADLM CC(C)Oc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccccc1Br ZINC000484967207 997340015 /nfs/dbraw/zinc/34/00/15/997340015.db2.gz DXBKCBGQQYYFQH-UHFFFAOYSA-N -1 2 414.277 3.735 20 0 HHADLM Cc1ccc(Cl)c(S(=O)(=O)Nc2cc3c(c(C(=O)[O-])c2)OCCO3)c1Cl ZINC000484974349 997342781 /nfs/dbraw/zinc/34/27/81/997342781.db2.gz LKNLTARDUSGVPM-UHFFFAOYSA-N -1 2 418.254 3.572 20 0 HHADLM CCCOc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccccc1C(F)(F)F ZINC000484977917 997343794 /nfs/dbraw/zinc/34/37/94/997343794.db2.gz YVZVSOFCGZLSGQ-UHFFFAOYSA-N -1 2 403.378 3.993 20 0 HHADLM COc1cc(S(=O)(=O)Nc2cc(Cl)cc(C)c2O)c(Cl)cc1C(=O)[O-] ZINC000485287394 997685945 /nfs/dbraw/zinc/68/59/45/997685945.db2.gz KWDTWTSABSDXEU-UHFFFAOYSA-N -1 2 406.243 3.515 20 0 HHADLM COc1cc(S(=O)(=O)Nc2ccccc2OCC(C)C)c(Cl)cc1C(=O)[O-] ZINC000485292907 997694797 /nfs/dbraw/zinc/69/47/97/997694797.db2.gz PVASERRIJSUTPK-UHFFFAOYSA-N -1 2 413.879 3.882 20 0 HHADLM CC(C)c1c(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cnn1-c1ccccc1 ZINC000486109637 998556763 /nfs/dbraw/zinc/55/67/63/998556763.db2.gz LEFRXQYBKMEQQY-UHFFFAOYSA-N -1 2 403.435 3.634 20 0 HHADLM CCc1c(NS(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)cnn1-c1ccccc1 ZINC000479229275 999334730 /nfs/dbraw/zinc/33/47/30/999334730.db2.gz ATVQZBUZIHMDES-UHFFFAOYSA-N -1 2 419.890 3.896 20 0 HHADLM CC[C@H](Cc1ccc(NS(=O)(=O)c2cccnc2C(F)(F)F)cc1)C(=O)[O-] ZINC000489313659 999743890 /nfs/dbraw/zinc/74/38/90/999743890.db2.gz NSSBGRWKXLODSM-GFCCVEGCSA-N -1 2 402.394 3.555 20 0 HHADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc3nc(-c4ccco4)[nH]c3c2)c(Cl)c1 ZINC000489779508 999836635 /nfs/dbraw/zinc/83/66/35/999836635.db2.gz ZJSAGVJZMWLCAM-UHFFFAOYSA-N -1 2 417.830 3.975 20 0 HHADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2cccc(Oc3ccccn3)c2)c1 ZINC000512786311 1004559338 /nfs/dbraw/zinc/55/93/38/1004559338.db2.gz YNKCNZQEZAYIAW-UHFFFAOYSA-N -1 2 402.403 3.820 20 0 HHADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2ccc(Sc3nccn3C)cc2)c1 ZINC000512795526 1004563239 /nfs/dbraw/zinc/56/32/39/1004563239.db2.gz VCPZPGASCMTRNA-UHFFFAOYSA-N -1 2 421.475 3.518 20 0 HHADLM Cc1cc(NS(=O)(=O)c2ccc(OCCCC(=O)[O-])c(C)c2)nn1[C@@H](C)C1CC1 ZINC000543160230 1008732093 /nfs/dbraw/zinc/73/20/93/1008732093.db2.gz SRBQKWSGGLWVNX-HNNXBMFYSA-N -1 2 421.519 3.515 20 0 HHADLM Cc1cc(S(=O)(=O)Nc2cnn(CC(C)C)c2C(F)F)cc(C(=O)[O-])c1C ZINC000536302767 1011491998 /nfs/dbraw/zinc/49/19/98/1011491998.db2.gz RICUAJWNHBMONF-UHFFFAOYSA-N -1 2 401.435 3.593 20 0 HHADLM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn(CC(C)C)c1C(F)F ZINC000536302870 1011492294 /nfs/dbraw/zinc/49/22/94/1011492294.db2.gz ISDVTPUUBLLHAM-UHFFFAOYSA-N -1 2 401.435 3.538 20 0 HHADLM COc1cc(OC)c(NS(=O)(=O)c2cc(Cl)ccc2Cl)c(C(=O)[O-])c1 ZINC000587994590 1072735361 /nfs/dbraw/zinc/73/53/61/1072735361.db2.gz DBTAHKGSOXWWJG-UHFFFAOYSA-N -1 2 406.243 3.510 20 0 HHADLM Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)Nc1cccnc1OCc1ccccc1 ZINC000591683329 1074486243 /nfs/dbraw/zinc/48/62/43/1074486243.db2.gz SLGTXGAJHCDYEK-UHFFFAOYSA-N -1 2 416.430 3.607 20 0 HHADLM CCCc1c(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cnn1-c1cccc(F)c1 ZINC000542234454 1013190613 /nfs/dbraw/zinc/19/06/13/1013190613.db2.gz HUUPRYOPCSDOEW-UHFFFAOYSA-N -1 2 423.491 3.833 20 0 HHADLM O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2cc(Cl)ccc2-n2cccn2)c1 ZINC000048382650 968537282 /nfs/dbraw/zinc/53/72/82/968537282.db2.gz QISSMSAWMWKIRY-UHFFFAOYSA-N -1 2 412.254 3.678 20 0 HHADLM O=C([O-])Cc1ccc(NS(=O)(=O)c2c(Cl)cccc2Br)cc1 ZINC000319051297 972668136 /nfs/dbraw/zinc/66/81/36/972668136.db2.gz VODYAIPFXOXMKC-UHFFFAOYSA-N -1 2 404.669 3.530 20 0 HHADLM CCOc1cc(C)ccc1NS(=O)(=O)c1cc(C(=O)[O-])sc1Br ZINC000390318810 972821787 /nfs/dbraw/zinc/82/17/87/972821787.db2.gz XHQNTLKYBXPIDD-UHFFFAOYSA-N -1 2 420.306 3.717 20 0 HHADLM Cc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1cnc(-c2ccccc2)nc1 ZINC000436032393 981169485 /nfs/dbraw/zinc/16/94/85/981169485.db2.gz ZRVGZSGCZBBPBF-UHFFFAOYSA-N -1 2 403.847 3.604 20 0 HHADLM O=C(Nc1cccc(-c2n[nH]c(=O)[nH]2)c1)c1cc(Br)cc(Cl)c1[O-] ZINC000436644625 981490399 /nfs/dbraw/zinc/49/03/99/981490399.db2.gz WMUJGCGPIQPHDB-UHFFFAOYSA-N -1 2 409.627 3.551 20 0 HHADLM CC[N@@H+]1CC[C@H](NC(=O)c2cc(NC(C)=O)ccc2O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000436813576 981572935 /nfs/dbraw/zinc/57/29/35/981572935.db2.gz FALVZVHDJPEFKE-ICSRJNTNSA-N -1 2 419.884 3.708 20 0 HHADLM Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[n-]1 ZINC000468164529 985842451 /nfs/dbraw/zinc/84/24/51/985842451.db2.gz MVNUPHNIEQMBIS-CQSZACIVSA-N -1 2 407.474 3.684 20 0 HHADLM O=C([O-])Cc1ccc(NS(=O)(=O)c2cc(Cl)c(Br)cc2F)cc1 ZINC000471619745 989825083 /nfs/dbraw/zinc/82/50/83/989825083.db2.gz GXJBBDSTDHEMJC-UHFFFAOYSA-N -1 2 422.659 3.670 20 0 HHADLM O=C([O-])c1ccc(OC(F)(F)F)c(NS(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000471956829 990122354 /nfs/dbraw/zinc/12/23/54/990122354.db2.gz GNNKYGLZLLMHGV-UHFFFAOYSA-N -1 2 413.732 3.877 20 0 HHADLM O=C([O-])c1ccc(OC(F)(F)F)c(NS(=O)(=O)c2cc(F)c(F)c(F)c2)c1 ZINC000471976297 990142368 /nfs/dbraw/zinc/14/23/68/990142368.db2.gz FCDCQTQGHQFUII-UHFFFAOYSA-N -1 2 415.267 3.502 20 0 HHADLM COc1cc(S(=O)(=O)Nc2ccc(F)cc2OC(C)C)c(Cl)cc1C(=O)[O-] ZINC000484199327 996631807 /nfs/dbraw/zinc/63/18/07/996631807.db2.gz HWNXUMMCBMLOSE-UHFFFAOYSA-N -1 2 417.842 3.774 20 0 HHADLM CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cc(F)ccc1Br ZINC000484559752 996893231 /nfs/dbraw/zinc/89/32/31/996893231.db2.gz GAYPNHXBNOCBDU-UHFFFAOYSA-N -1 2 420.281 3.809 20 0 HHADLM Cc1cccc(S(=O)(=O)Nc2c(C)ccc(Br)c2C(=O)[O-])c1F ZINC000484930096 997305161 /nfs/dbraw/zinc/30/51/61/997305161.db2.gz ZLXVHBIYWPZIAS-UHFFFAOYSA-N -1 2 402.241 3.704 20 0 HHADLM CC(C)Oc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccccc1OC(F)(F)F ZINC000484955359 997332948 /nfs/dbraw/zinc/33/29/48/997332948.db2.gz GRSCAQRQIYJQCI-UHFFFAOYSA-N -1 2 419.377 3.871 20 0 HHADLM CC(C)Oc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccccc1OC(F)F ZINC000484992500 997353789 /nfs/dbraw/zinc/35/37/89/997353789.db2.gz ZZKMGABFRWCXDN-UHFFFAOYSA-N -1 2 401.387 3.574 20 0 HHADLM Cc1cccc(C(=O)[O-])c1NS(=O)(=O)c1cc(Br)c(F)cc1F ZINC000485431563 997869715 /nfs/dbraw/zinc/86/97/15/997869715.db2.gz YGMKMXAFYUMVAI-UHFFFAOYSA-N -1 2 406.204 3.535 20 0 HHADLM CCOc1cc(F)ccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1OC(F)(F)F ZINC000486082158 998529261 /nfs/dbraw/zinc/52/92/61/998529261.db2.gz OUTIQEYJNJSMNE-UHFFFAOYSA-N -1 2 423.340 3.622 20 0 HHADLM Cc1cc(C)c(S(=O)(=O)Nc2ccn(-c3ccccc3Cl)n2)cc1C(=O)[O-] ZINC000486491478 998792585 /nfs/dbraw/zinc/79/25/85/998792585.db2.gz VGTNCTMDXVCLIK-UHFFFAOYSA-N -1 2 405.863 3.642 20 0 HHADLM O=C([O-])c1c[nH]c2cc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3F)ccc12 ZINC000479196837 999321659 /nfs/dbraw/zinc/32/16/59/999321659.db2.gz TUIMFOQUGHNDGF-UHFFFAOYSA-N -1 2 402.325 3.825 20 0 HHADLM Cc1c(Cl)cc(S(=O)(=O)Nc2cn(CC(C)C)nc2C(F)F)cc1C(=O)[O-] ZINC000479263676 999353923 /nfs/dbraw/zinc/35/39/23/999353923.db2.gz PTNZQCDYIBNFES-UHFFFAOYSA-N -1 2 421.853 3.938 20 0 HHADLM COc1cc2nc(C)sc2cc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000489711406 999822595 /nfs/dbraw/zinc/82/25/95/999822595.db2.gz GCSRLWBCAGOFQK-UHFFFAOYSA-N -1 2 412.876 3.766 20 0 HHADLM COc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1ccc(F)c2ncccc12 ZINC000505124163 1000562536 /nfs/dbraw/zinc/56/25/36/1000562536.db2.gz LIUVWXWDFLPXQF-UHFFFAOYSA-N -1 2 410.810 3.535 20 0 HHADLM Cc1cnn(C)c1S(=O)(=O)Nc1cc(C(=O)[O-])ccc1Oc1ccc(Cl)cc1 ZINC000506614700 1001471740 /nfs/dbraw/zinc/47/17/40/1001471740.db2.gz VPWYUIYLUBXHHR-UHFFFAOYSA-N -1 2 421.862 3.673 20 0 HHADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2cccc(COCc3ccco3)c2)c1 ZINC000512734818 1004526541 /nfs/dbraw/zinc/52/65/41/1004526541.db2.gz ULUZTKYPXYLDCT-UHFFFAOYSA-N -1 2 419.430 3.943 20 0 HHADLM C[C@H](Cc1ccc(NS(=O)(=O)c2cc(Br)ccc2F)cc1)C(=O)[O-] ZINC000544646377 1010271589 /nfs/dbraw/zinc/27/15/89/1010271589.db2.gz GRJOZBQSQYXVMY-SNVBAGLBSA-N -1 2 416.268 3.652 20 0 HHADLM Cc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)c1cc(Br)c(F)cc1F ZINC000548534355 1010658358 /nfs/dbraw/zinc/65/83/58/1010658358.db2.gz ROZUYMSQBIOORO-UHFFFAOYSA-N -1 2 424.194 3.674 20 0 HHADLM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Br)cnc1Cl ZINC000323113610 972708594 /nfs/dbraw/zinc/70/85/94/972708594.db2.gz GKBWTVMJEONVLA-UHFFFAOYSA-N -1 2 419.684 3.613 20 0 HHADLM CCCOc1ccccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1Br ZINC000325057515 972728223 /nfs/dbraw/zinc/72/82/23/972728223.db2.gz RUSOLIMGSALFSV-UHFFFAOYSA-N -1 2 414.277 3.737 20 0 HHADLM C[C@H](CC(=O)[O-])c1ccc(NS(=O)(=O)c2cccc(Br)c2F)cc1 ZINC000410402364 974002319 /nfs/dbraw/zinc/00/23/19/974002319.db2.gz ZSHUCDXUABEKQD-SNVBAGLBSA-N -1 2 416.268 3.967 20 0 HHADLM CCCc1c(NS(=O)(=O)c2csc(C(=O)[O-])c2)cnn1-c1ccc(C)cc1 ZINC000431906725 978591456 /nfs/dbraw/zinc/59/14/56/978591456.db2.gz HXVRLPRJPOVJEU-UHFFFAOYSA-N -1 2 405.501 3.694 20 0 HHADLM CC(=O)Nc1ccc(O)c(C(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)c1 ZINC000436023573 981162965 /nfs/dbraw/zinc/16/29/65/981162965.db2.gz PRPFBMQGQXJQDK-UHFFFAOYSA-N -1 2 412.877 3.543 20 0 HHADLM O=C([O-])c1ccc(O)c(S(=O)(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)c1 ZINC000436994559 981673988 /nfs/dbraw/zinc/67/39/88/981673988.db2.gz NEHYRKVLUTUWGD-UHFFFAOYSA-N -1 2 420.830 3.732 20 0 HHADLM Cc1cc(C(=O)Nc2ccc(Oc3cccc(F)c3)cc2)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000468085951 985743852 /nfs/dbraw/zinc/74/38/52/985743852.db2.gz DQZGYAAYHHTYHI-UHFFFAOYSA-N -1 2 406.373 3.928 20 0 HHADLM Cc1ccc(F)c(S(=O)(=O)Nc2c(C)ccc(Br)c2C(=O)[O-])c1 ZINC000463375692 986342247 /nfs/dbraw/zinc/34/22/47/986342247.db2.gz HTOUDIDZEWFNEL-UHFFFAOYSA-N -1 2 402.241 3.704 20 0 HHADLM Cc1ccc(Br)c(C(=O)[O-])c1NS(=O)(=O)c1ccc(F)cc1F ZINC000463376385 986343323 /nfs/dbraw/zinc/34/33/23/986343323.db2.gz JUXRYZNIUTXCAG-UHFFFAOYSA-N -1 2 406.204 3.535 20 0 HHADLM Cc1cc(C(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000469592736 987258093 /nfs/dbraw/zinc/25/80/93/987258093.db2.gz KBHRPPFULGGAAC-UHFFFAOYSA-N -1 2 423.816 3.837 20 0 HHADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2cc(F)c(Br)cc2C)c1 ZINC000471985323 990152265 /nfs/dbraw/zinc/15/22/65/990152265.db2.gz KTPUVECCLHTELO-UHFFFAOYSA-N -1 2 420.231 3.843 20 0 HHADLM COc1ccc(CCC(=O)[O-])cc1NS(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000473439855 994289101 /nfs/dbraw/zinc/28/91/01/994289101.db2.gz HSQOUBFRTJECTP-UHFFFAOYSA-N -1 2 422.261 3.959 20 0 HHADLM Cc1ccc(NS(=O)(=O)c2cccc3cccnc32)c(SCCC(=O)[O-])c1 ZINC000484505843 996834451 /nfs/dbraw/zinc/83/44/51/996834451.db2.gz WOQFRCLGJYLXPI-UHFFFAOYSA-N -1 2 402.497 3.911 20 0 HHADLM COc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1c(C)ccc2cccnc21 ZINC000477343026 998031116 /nfs/dbraw/zinc/03/11/16/998031116.db2.gz USWOLWLLMVEXRS-UHFFFAOYSA-N -1 2 406.847 3.704 20 0 HHADLM Cc1cc(S(=O)(=O)Nc2c(C)ccc(Br)c2C(=O)[O-])c(F)cc1F ZINC000477514291 998235502 /nfs/dbraw/zinc/23/55/02/998235502.db2.gz BWIHNQOVZDRKLH-UHFFFAOYSA-N -1 2 420.231 3.843 20 0 HHADLM CCc1c(NS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cnn1-c1ccccc1Cl ZINC000480216836 999747952 /nfs/dbraw/zinc/74/79/52/999747952.db2.gz AVFNINRBEKFUDV-UHFFFAOYSA-N -1 2 423.853 3.726 20 0 HHADLM Cc1ccc(-n2ncc(NS(=O)(=O)c3cc(F)cc(C(=O)[O-])c3)c2C(C)C)cc1 ZINC000480218974 999748242 /nfs/dbraw/zinc/74/82/42/999748242.db2.gz OUDMNYJMAHTMNF-UHFFFAOYSA-N -1 2 417.462 3.942 20 0 HHADLM CCc1c(NS(=O)(=O)c2csc(C(=O)[O-])c2)cnn1-c1ccccc1Cl ZINC000480232819 999752136 /nfs/dbraw/zinc/75/21/36/999752136.db2.gz XTIYWXBHBKJVQV-UHFFFAOYSA-N -1 2 411.892 3.649 20 0 HHADLM COc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cccc(Cl)c1Br ZINC000491571096 1000084421 /nfs/dbraw/zinc/08/44/21/1000084421.db2.gz ABMRDLBJUOYRFE-UHFFFAOYSA-N -1 2 420.668 3.610 20 0 HHADLM CCc1c(NS(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)cnn1CCC(C)C ZINC000491822388 1000095698 /nfs/dbraw/zinc/09/56/98/1000095698.db2.gz VITLRXROLXAXTF-UHFFFAOYSA-N -1 2 413.927 3.952 20 0 HHADLM Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(OCCC(=O)[O-])cc2)c1Cl ZINC000504681297 1000323396 /nfs/dbraw/zinc/32/33/96/1000323396.db2.gz WDVVIHOLHJWHTO-UHFFFAOYSA-N -1 2 404.271 3.956 20 0 HHADLM COc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1cccc2cc(C)cnc21 ZINC000505122923 1000561928 /nfs/dbraw/zinc/56/19/28/1000561928.db2.gz DXQRYRDTEDJGDT-UHFFFAOYSA-N -1 2 406.847 3.704 20 0 HHADLM CCc1ccc(NS(=O)(=O)c2c3ccccc3sc2C(=O)OC)c(C(=O)[O-])c1 ZINC000496094685 1001124712 /nfs/dbraw/zinc/12/47/12/1001124712.db2.gz RYQQUTMLIHWFEM-UHFFFAOYSA-N -1 2 419.480 3.749 20 0 HHADLM Cc1cc(NS(=O)(=O)c2cc(Br)sc2Cl)cc(C(=O)[O-])c1 ZINC000507571451 1002176628 /nfs/dbraw/zinc/17/66/28/1002176628.db2.gz VZXNNERBRXEWTI-UHFFFAOYSA-N -1 2 410.698 3.971 20 0 HHADLM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000507967330 1002498843 /nfs/dbraw/zinc/49/88/43/1002498843.db2.gz SRDHTASNVIRDNQ-UHFFFAOYSA-N -1 2 418.254 3.587 20 0 HHADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2ccccc2Sc2nccn2C)c1 ZINC000512725892 1004520396 /nfs/dbraw/zinc/52/03/96/1004520396.db2.gz RMNSQZDJQYIUBV-UHFFFAOYSA-N -1 2 421.475 3.518 20 0 HHADLM CCc1noc(-c2ccc(C)c(NS(=O)(=O)c3cc(C)cc(C(=O)[O-])c3F)c2)n1 ZINC000512765835 1004547333 /nfs/dbraw/zinc/54/73/33/1004547333.db2.gz CESOXHTZERUSHN-UHFFFAOYSA-N -1 2 419.434 3.554 20 0 HHADLM Cc1ccc2cccc(S(=O)(=O)Nc3cc(C(=O)[O-])ccc3OC(C)C)c2n1 ZINC000531251401 1006071130 /nfs/dbraw/zinc/07/11/30/1006071130.db2.gz OIACGAWWKVQZQA-UHFFFAOYSA-N -1 2 400.456 3.829 20 0 HHADLM CCOc1ccc(Br)cc1NS(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000517924651 1008059050 /nfs/dbraw/zinc/05/90/50/1008059050.db2.gz BWUFYBARXMGZED-UHFFFAOYSA-N -1 2 420.306 3.717 20 0 HHADLM CCCc1c(NS(=O)(=O)c2cc(C(=O)[O-])sc2C)cnn1-c1ccccc1 ZINC000543022422 1008601965 /nfs/dbraw/zinc/60/19/65/1008601965.db2.gz IROFJSWSNDQHQT-UHFFFAOYSA-N -1 2 405.501 3.694 20 0 HHADLM Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc(Br)c(F)cc1F ZINC000547547123 1010346837 /nfs/dbraw/zinc/34/68/37/1010346837.db2.gz LRXSHUUDNCOSOY-UHFFFAOYSA-N -1 2 406.204 3.535 20 0 HHADLM COc1cccc([C@@H]2[C@@H](NS(=O)(=O)c3cc4ccccc4o3)CC[N@H+]2C2CC2)c1 ZINC000540894700 1011569198 /nfs/dbraw/zinc/56/91/98/1011569198.db2.gz IYQXYSQWDFPTOK-SIKLNZKXSA-N -1 2 412.511 3.698 20 0 HHADLM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cn(CC(C)C)nc2C(F)F)c1C ZINC000536414805 1011629028 /nfs/dbraw/zinc/62/90/28/1011629028.db2.gz ONXDSVODTMNQAX-UHFFFAOYSA-N -1 2 401.435 3.593 20 0 HHADLM COc1c(F)cc(F)cc1NS(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000760363923 1072280847 /nfs/dbraw/zinc/28/08/47/1072280847.db2.gz HIOZRYASKCMAIO-UHFFFAOYSA-N -1 2 412.197 3.779 20 0 HHADLM Cc1c(NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)cnn1-c1ccccc1 ZINC000479405913 1072828383 /nfs/dbraw/zinc/82/83/83/1072828383.db2.gz JMNIJSKVQYGROC-UHFFFAOYSA-N -1 2 405.863 3.642 20 0 HHADLM Cc1cc(S(=O)(=O)Nc2ccc(Cc3nc(C(=O)[O-])cs3)cc2)sc1C ZINC000542237432 1013196436 /nfs/dbraw/zinc/19/64/36/1013196436.db2.gz TZRFVAVNXZJHPR-UHFFFAOYSA-N -1 2 408.526 3.911 20 0 HHADLM O=C([O-])c1ccc(S(=O)(=O)Nc2nc3ccc(Br)cc3s2)cc1 ZINC000013059989 962363108 /nfs/dbraw/zinc/36/31/08/962363108.db2.gz QJBRWIJGPKZCQD-UHFFFAOYSA-N -1 2 413.274 3.558 20 0 HHADLM O=C([O-])c1cc2c(cc1NS(=O)(=O)c1c(Cl)cccc1Cl)OCCCO2 ZINC000013186540 962374959 /nfs/dbraw/zinc/37/49/59/962374959.db2.gz FKKNOXDWGGXEHR-UHFFFAOYSA-N -1 2 418.254 3.654 20 0 HHADLM Cc1cc2cc(NS(=O)(=O)c3cc(C(=O)[O-])sc3Br)ccc2[nH]1 ZINC000032591906 966289211 /nfs/dbraw/zinc/28/92/11/966289211.db2.gz FCZAPYQJPUPMAL-UHFFFAOYSA-N -1 2 415.290 3.799 20 0 HHADLM CCCOc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccccc1-c1ccno1 ZINC000542938912 1013772752 /nfs/dbraw/zinc/77/27/52/1013772752.db2.gz YJILOUJXKWWUDK-UHFFFAOYSA-N -1 2 402.428 3.629 20 0 HHADLM Cc1cc(S(=O)(=O)Nc2ccc(Br)c(Cl)c2)sc1C(=O)[O-] ZINC000227591642 970119595 /nfs/dbraw/zinc/11/95/95/970119595.db2.gz ZOPQDODKKFIIIG-UHFFFAOYSA-N -1 2 410.698 3.971 20 0 HHADLM O=C([O-])c1cc(Br)cc(S(=O)(=O)Nc2ccc(Cl)cc2)c1F ZINC000314188428 972638482 /nfs/dbraw/zinc/63/84/82/972638482.db2.gz YKDJYUDLNZSQQM-UHFFFAOYSA-N -1 2 408.632 3.741 20 0 HHADLM COc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(Br)cc1Cl ZINC000320375672 972681273 /nfs/dbraw/zinc/68/12/73/972681273.db2.gz FYAQAFSYYZYNGF-UHFFFAOYSA-N -1 2 420.668 3.610 20 0 HHADLM CC(C)(C)c1csc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Br)n1 ZINC000320496530 972682822 /nfs/dbraw/zinc/68/28/22/972682822.db2.gz HVAVKXHVZZROOT-UHFFFAOYSA-N -1 2 419.322 3.702 20 0 HHADLM COc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c(OC)cc1Cl ZINC000327879181 972763528 /nfs/dbraw/zinc/76/35/28/972763528.db2.gz ZCENLGYJWCLHTG-UHFFFAOYSA-N -1 2 406.243 3.510 20 0 HHADLM O=C([O-])c1ccc(F)c(NC(=O)c2[nH]nc(-c3ccccc3)c2Br)c1 ZINC000431810939 978530914 /nfs/dbraw/zinc/53/09/14/978530914.db2.gz IIUYLMRKTYPPPN-UHFFFAOYSA-N -1 2 404.195 3.929 20 0 HHADLM CCCc1c(NS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cnn1-c1ccc(F)cc1 ZINC000432054117 978662718 /nfs/dbraw/zinc/66/27/18/978662718.db2.gz KARJODKFHIOYDM-UHFFFAOYSA-N -1 2 421.425 3.602 20 0 HHADLM CC[C@@H](Cc1ccc(NS(=O)(=O)c2cnc(-c3ccccc3)nc2)cc1)C(=O)[O-] ZINC000436182547 981239454 /nfs/dbraw/zinc/23/94/54/981239454.db2.gz USYJOAAFVLBNQP-INIZCTEOSA-N -1 2 411.483 3.598 20 0 HHADLM CC[N@H+]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2ccc(O)c(C(=O)[O-])c2)C1 ZINC000436829162 981579632 /nfs/dbraw/zinc/57/96/32/981579632.db2.gz KWDAPEUTDFSYOS-NTEUORMPSA-N -1 2 404.422 3.713 20 0 HHADLM CC[N@@H+]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2ccc(O)c(C(=O)[O-])c2)C1 ZINC000436829162 981579634 /nfs/dbraw/zinc/57/96/34/981579634.db2.gz KWDAPEUTDFSYOS-NTEUORMPSA-N -1 2 404.422 3.713 20 0 HHADLM C[N@@H+](CCN(Cc1ccccc1)C(=O)C(=O)c1ccc(O)cc1)Cc1ccccc1 ZINC000436967784 981654568 /nfs/dbraw/zinc/65/45/68/981654568.db2.gz YRGZDHXNVBWFJA-UHFFFAOYSA-N -1 2 402.494 3.736 20 0 HHADLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccnc1-c1csc(C)c1 ZINC000437676057 982290403 /nfs/dbraw/zinc/29/04/03/982290403.db2.gz SQGNJEPEIHTYFU-UHFFFAOYSA-N -1 2 404.469 3.626 20 0 HHADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc2[nH]c(-c3ccc(F)cc3)nc2c1 ZINC000462071253 985043535 /nfs/dbraw/zinc/04/35/35/985043535.db2.gz DGQKJMBMHLNSGS-UHFFFAOYSA-N -1 2 415.402 3.769 20 0 HHADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(F)cc2OCCC(F)(F)F)cs1 ZINC000443531821 985704232 /nfs/dbraw/zinc/70/42/32/985704232.db2.gz RMDRRANDBUSRQE-UHFFFAOYSA-N -1 2 413.370 3.717 20 0 HHADLM Cc1cc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000468241516 985938857 /nfs/dbraw/zinc/93/88/57/985938857.db2.gz RTVDDQOWYKCUGR-UHFFFAOYSA-N -1 2 412.409 3.540 20 0 HHADLM Cc1cc(S(=O)(=O)Nc2cc(NC(=O)C(C)(C)C)ccc2C)sc1C(=O)[O-] ZINC000481142223 993977331 /nfs/dbraw/zinc/97/73/31/993977331.db2.gz MZIMSOYQCHQXNX-UHFFFAOYSA-N -1 2 410.517 3.849 20 0 HHADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2cc(F)cc(NCC(F)(F)F)c2)c1 ZINC000475822208 996393400 /nfs/dbraw/zinc/39/34/00/996393400.db2.gz RVODNUZTEMIJLS-UHFFFAOYSA-N -1 2 424.347 3.746 20 0 HHADLM O=C([O-])c1csc(S(=O)(=O)Nc2ccc(OC(F)F)c(C(F)(F)F)c2)c1 ZINC000475825598 996395420 /nfs/dbraw/zinc/39/54/20/996395420.db2.gz FHCSTYSDSJXXOU-UHFFFAOYSA-N -1 2 417.333 3.867 20 0 HHADLM COc1cc(S(=O)(=O)Nc2cc(F)ccc2OC(C)C)c(Cl)cc1C(=O)[O-] ZINC000485273672 997668710 /nfs/dbraw/zinc/66/87/10/997668710.db2.gz KTXAOLAYENUTSI-UHFFFAOYSA-N -1 2 417.842 3.774 20 0 HHADLM COc1cc(Cl)c(C)cc1NS(=O)(=O)c1cc(OC)c(C(=O)[O-])cc1Cl ZINC000485303462 997709679 /nfs/dbraw/zinc/70/96/79/997709679.db2.gz XDMGFCJBCWAGDS-UHFFFAOYSA-N -1 2 420.270 3.818 20 0 HHADLM Cc1c(Cl)cc(S(=O)(=O)Nc2cnn(CC(C)C)c2C(F)F)cc1C(=O)[O-] ZINC000479259152 999351614 /nfs/dbraw/zinc/35/16/14/999351614.db2.gz PKXKQNLBKWJQRU-UHFFFAOYSA-N -1 2 421.853 3.938 20 0 HHADLM CCc1c(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)cnn1-c1ccc(Cl)cc1 ZINC000480241135 999754157 /nfs/dbraw/zinc/75/41/57/999754157.db2.gz LQLNUPMRBZZUSW-UHFFFAOYSA-N -1 2 419.890 3.516 20 0 HHADLM Cc1nc(-c2ccc(S(=O)(=O)Nc3ccc(OCCC(=O)[O-])cc3)s2)cs1 ZINC000504506466 1000239745 /nfs/dbraw/zinc/23/97/45/1000239745.db2.gz BCSDUFNAYAHDNV-UHFFFAOYSA-N -1 2 424.525 3.834 20 0 HHADLM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1ccc(S[C@H](C)C(=O)[O-])cc1 ZINC000504666379 1000316216 /nfs/dbraw/zinc/31/62/16/1000316216.db2.gz SJVUOIVGWGJCQW-CQSZACIVSA-N -1 2 411.549 3.522 20 0 HHADLM Cc1cc(C(=O)Nc2ccccc2-c2c(F)cccc2F)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000494532148 1000541395 /nfs/dbraw/zinc/54/13/95/1000541395.db2.gz SEVKBUWEDCBUJU-UHFFFAOYSA-N -1 2 408.364 3.942 20 0 HHADLM O=C([O-])c1cc2c(cc1NS(=O)(=O)c1cc(Cl)sc1Cl)OCCCO2 ZINC000511270819 1005100889 /nfs/dbraw/zinc/10/08/89/1005100889.db2.gz KDSHBFPLOVNWAX-UHFFFAOYSA-N -1 2 424.283 3.715 20 0 HHADLM O=C([O-])c1cc(S(=O)(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)cs1 ZINC000515692069 1006592548 /nfs/dbraw/zinc/59/25/48/1006592548.db2.gz QHHTUNMUEVTHOW-UHFFFAOYSA-N -1 2 415.798 3.842 20 0 HHADLM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn(-c2cc(C)ccc2C)c1C ZINC000533005809 1007372461 /nfs/dbraw/zinc/37/24/61/1007372461.db2.gz VEINQDFAHVTVET-UHFFFAOYSA-N -1 2 405.501 3.666 20 0 HHADLM CC(C)c1cc(Br)ccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000535508667 1007564439 /nfs/dbraw/zinc/56/44/39/1007564439.db2.gz VDZIMKQZAGSKBO-UHFFFAOYSA-N -1 2 414.277 3.777 20 0 HHADLM Cc1cc(NS(=O)(=O)c2ccc(OCCCC(=O)[O-])c(C)c2)nn1[C@H](C)C1CC1 ZINC000543160231 1008732503 /nfs/dbraw/zinc/73/25/03/1008732503.db2.gz SRBQKWSGGLWVNX-OAHLLOKOSA-N -1 2 421.519 3.515 20 0 HHADLM O=C([O-])Cc1ccc(NS(=O)(=O)c2c(Cl)cc(F)cc2Br)cc1 ZINC000546536146 1009557483 /nfs/dbraw/zinc/55/74/83/1009557483.db2.gz NXHFXPCQGAMUSW-UHFFFAOYSA-N -1 2 422.659 3.670 20 0 HHADLM CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)[O-])cc1Cl ZINC000544639392 1010263655 /nfs/dbraw/zinc/26/36/55/1010263655.db2.gz FIYBXCUMIIYBHX-UHFFFAOYSA-N -1 2 421.233 3.590 20 0 HHADLM COc1cc2nc(C)sc2cc1NS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C ZINC000588634880 1073088913 /nfs/dbraw/zinc/08/89/13/1073088913.db2.gz UOSSDWQVYJVPJT-UHFFFAOYSA-N -1 2 410.448 3.560 20 0 HHADLM Cc1cc(S(=O)(=O)Nc2cccc(OCC(F)(F)F)c2C)sc1C(=O)[O-] ZINC000524320550 1013138829 /nfs/dbraw/zinc/13/88/29/1013138829.db2.gz ZTDNYVTYTRUBOC-UHFFFAOYSA-N -1 2 409.407 3.805 20 0 HHADLM Cc1ccc(C)c(NS(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2F)c1 ZINC000320062224 972676602 /nfs/dbraw/zinc/67/66/02/972676602.db2.gz UWOVRGODMKYQFF-UHFFFAOYSA-N -1 2 402.241 3.704 20 0 HHADLM COc1ccc(NS(=O)(=O)c2c(Cl)cccc2Br)c(C(=O)[O-])c1 ZINC000324015849 972717984 /nfs/dbraw/zinc/71/79/84/972717984.db2.gz MKBIPRBQSCRFOP-UHFFFAOYSA-N -1 2 420.668 3.610 20 0 HHADLM Cc1ccc(NS(=O)(=O)c2c(Cl)cccc2Br)cc1C(=O)[O-] ZINC000389830406 972815253 /nfs/dbraw/zinc/81/52/53/972815253.db2.gz VHPTYHLEBBLJOT-UHFFFAOYSA-N -1 2 404.669 3.910 20 0 HHADLM Cc1cc(C[NH+]2CCN(C(=O)c3ccc(O)cc3)CC2)ccc1Oc1cccnc1 ZINC000436693850 981516459 /nfs/dbraw/zinc/51/64/59/981516459.db2.gz DPQPJEZWKUAUIF-UHFFFAOYSA-N -1 2 403.482 3.846 20 0 HHADLM CCOc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000462100858 985071729 /nfs/dbraw/zinc/07/17/29/985071729.db2.gz JGWMPUXJSRXVSM-UHFFFAOYSA-N -1 2 407.341 3.742 20 0 HHADLM Cc1cc(C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000468128465 985793147 /nfs/dbraw/zinc/79/31/47/985793147.db2.gz YYKFOXIVDKSTNB-UHFFFAOYSA-N -1 2 414.849 3.972 20 0 HHADLM Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[n-]1 ZINC000468164528 985841852 /nfs/dbraw/zinc/84/18/52/985841852.db2.gz MVNUPHNIEQMBIS-AWEZNQCLSA-N -1 2 407.474 3.684 20 0 HHADLM Cc1cc(C(=O)Nc2cc(F)ccc2Oc2ccccc2)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000469377403 987073888 /nfs/dbraw/zinc/07/38/88/987073888.db2.gz QHTRMRNTEFAOKR-UHFFFAOYSA-N -1 2 406.373 3.928 20 0 HHADLM Cc1cc(=O)[nH]c([C@@H](C)Sc2nnc(C[NH+]3CCCC3)n2Cc2ccccc2)n1 ZINC000469806028 987446538 /nfs/dbraw/zinc/44/65/38/987446538.db2.gz IFLCWYJGPYJRAU-MRXNPFEDSA-N -1 2 410.547 3.580 20 0 HHADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1-n1cccc1 ZINC000467755143 993000397 /nfs/dbraw/zinc/00/03/97/993000397.db2.gz RCTSTEHLEMEWFC-UHFFFAOYSA-N -1 2 414.361 3.897 20 0 HHADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC000467759955 993003751 /nfs/dbraw/zinc/00/37/51/993003751.db2.gz WAOISAJBMFIVEG-UHFFFAOYSA-N -1 2 413.757 3.682 20 0 HHADLM CCCc1ccc(-c2cc(NS(=O)(=O)c3ccc(CCC(=O)[O-])cc3)[nH]n2)cc1 ZINC000483609322 996283980 /nfs/dbraw/zinc/28/39/80/996283980.db2.gz VXVIVKFLDWXBOV-UHFFFAOYSA-N -1 2 413.499 3.847 20 0 HHADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)ccc1-c1nc(C2CC2)no1 ZINC000476425337 996893925 /nfs/dbraw/zinc/89/39/25/996893925.db2.gz UIRZRWCHJVFYMK-UHFFFAOYSA-N -1 2 423.834 3.668 20 0 HHADLM CC(C)CCn1ncc(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c1C(C)C ZINC000486103866 998551155 /nfs/dbraw/zinc/55/11/55/998551155.db2.gz VNXDXLVRNDYKNZ-UHFFFAOYSA-N -1 2 407.536 3.871 20 0 HHADLM Cc1cc(S(=O)(=O)Nc2cc(Br)c(C)cc2C)sc1C(=O)[O-] ZINC000486115770 998563328 /nfs/dbraw/zinc/56/33/28/998563328.db2.gz MBJCEBQTEKOIKO-UHFFFAOYSA-N -1 2 404.307 3.935 20 0 HHADLM CC[C@@H](Cc1ccc(NS(=O)(=O)c2cnccc2C(F)(F)F)cc1)C(=O)[O-] ZINC000479187820 999316898 /nfs/dbraw/zinc/31/68/98/999316898.db2.gz KMANMEVSUKIFPQ-LBPRGKRZSA-N -1 2 402.394 3.555 20 0 HHADLM O=C([O-])c1ccc(NS(=O)(=O)c2cnc3ccsc3c2)c(OC(F)(F)F)c1 ZINC000488265046 999415993 /nfs/dbraw/zinc/41/59/93/999415993.db2.gz QYYPZSYVCDWALP-UHFFFAOYSA-N -1 2 418.374 3.694 20 0 HHADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cnn(-c3ccc(Cl)cc3)c2)c(Cl)c1 ZINC000479547981 999471386 /nfs/dbraw/zinc/47/13/86/999471386.db2.gz VSUNBYAOJOSNLK-UHFFFAOYSA-N -1 2 412.254 3.678 20 0 HHADLM CCc1c(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cnn1-c1ccccc1C ZINC000480238476 999753677 /nfs/dbraw/zinc/75/36/77/999753677.db2.gz BSRMACDIHNLNPO-UHFFFAOYSA-N -1 2 413.499 3.561 20 0 HHADLM CCc1c(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cnn1-c1cccc(C)c1 ZINC000480251114 999756537 /nfs/dbraw/zinc/75/65/37/999756537.db2.gz RYYBCFZKNCKGNY-UHFFFAOYSA-N -1 2 405.501 3.612 20 0 HHADLM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1cccc(C(=O)[O-])c1C ZINC000506613364 1001471258 /nfs/dbraw/zinc/47/12/58/1001471258.db2.gz CSKRQSBBYQTWSQ-UHFFFAOYSA-N -1 2 418.254 3.587 20 0 HHADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2cccc(Oc3ccncc3)c2)c1 ZINC000512770123 1004549350 /nfs/dbraw/zinc/54/93/50/1004549350.db2.gz AGRYHUOOMMPEBT-UHFFFAOYSA-N -1 2 402.403 3.820 20 0 HHADLM COc1ccc(NS(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)c(C(F)(F)F)c1 ZINC000512776342 1004553021 /nfs/dbraw/zinc/55/30/21/1004553021.db2.gz MFDPKOZXUOKPDG-UHFFFAOYSA-N -1 2 407.341 3.661 20 0 HHADLM CCCc1nnc(NC(=O)c2sccc2S(=O)(=O)[N-]c2ccc(C)cc2)s1 ZINC000504054503 1005541697 /nfs/dbraw/zinc/54/16/97/1005541697.db2.gz BEVOHMPKDVOPSN-UHFFFAOYSA-N -1 2 422.557 3.914 20 0 HHADLM CCCc1c(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)cnn1-c1cccc(F)c1 ZINC000544099163 1009709530 /nfs/dbraw/zinc/70/95/30/1009709530.db2.gz UTOYFUDMKSSWHN-UHFFFAOYSA-N -1 2 417.462 3.771 20 0 HHADLM Cc1c(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2C)cnn1-c1ccc(Cl)cc1 ZINC000547559685 1010349210 /nfs/dbraw/zinc/34/92/10/1010349210.db2.gz KVJQVSGIADZHNU-UHFFFAOYSA-N -1 2 405.863 3.642 20 0 HHADLM CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cccc(Br)c1F ZINC000522216929 1010871107 /nfs/dbraw/zinc/87/11/07/1010871107.db2.gz BYQDTYRHUVOUPC-UHFFFAOYSA-N -1 2 402.241 3.650 20 0 HHADLM Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)Nc1cnn(CC(C)C)c1C(F)F ZINC000479404535 1072794515 /nfs/dbraw/zinc/79/45/15/1072794515.db2.gz FPKUWWZXHNRLLH-UHFFFAOYSA-N -1 2 421.853 3.938 20 0 HHADLM CCCc1c(NS(=O)(=O)c2csc(C(=O)[O-])c2)cnn1-c1cccc(F)c1 ZINC000542234999 1013191740 /nfs/dbraw/zinc/19/17/40/1013191740.db2.gz OXPMNSNTXRDKIY-UHFFFAOYSA-N -1 2 409.464 3.524 20 0 HHADLM COc1ccc(OC)c(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c1 ZINC000013340962 962388649 /nfs/dbraw/zinc/38/86/49/962388649.db2.gz UWYSCCBUUVAUPF-UHFFFAOYSA-N -1 2 406.243 3.510 20 0 HHADLM Cc1cc(C)n(-c2ccccc2NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)n1 ZINC000046303278 967731408 /nfs/dbraw/zinc/73/14/08/967731408.db2.gz CPRZJXUVYLXDNY-UHFFFAOYSA-N -1 2 405.863 3.642 20 0 HHADLM Cc1cc(C)c(S(=O)(=O)Nc2ccc(Cc3nc(C(=O)[O-])cs3)cc2)s1 ZINC000430978871 977924583 /nfs/dbraw/zinc/92/45/83/977924583.db2.gz RLTNCFJMYMEBQN-UHFFFAOYSA-N -1 2 408.526 3.911 20 0 HHADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccccc2NC(=O)C[C@@H]2C=CCC2)c(F)c1 ZINC000438750647 983044302 /nfs/dbraw/zinc/04/43/02/983044302.db2.gz ACYPVLQKQBKCIW-CYBMUJFWSA-N -1 2 418.446 3.620 20 0 HHADLM Cc1ccc(OCc2ccccc2)c(NC(=O)c2cc(C)c3c(=O)[nH]c(=O)nc-3[n-]2)c1 ZINC000442190348 984711997 /nfs/dbraw/zinc/71/19/97/984711997.db2.gz DZAXADYHTNPYJT-UHFFFAOYSA-N -1 2 416.437 3.884 20 0 HHADLM Cc1cc(C(=O)Nc2ccccc2COc2ccccc2)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000467973048 985616774 /nfs/dbraw/zinc/61/67/74/985616774.db2.gz JTEODXPXAHZMFI-UHFFFAOYSA-N -1 2 402.410 3.576 20 0 HHADLM Cc1ccc(S(=O)(=O)Nc2c(C)ccc(Br)c2C(=O)[O-])c(F)c1 ZINC000463378836 986346164 /nfs/dbraw/zinc/34/61/64/986346164.db2.gz RIPJILGJRBFQNC-UHFFFAOYSA-N -1 2 402.241 3.704 20 0 HHADLM Cc1cc(C(=O)Nc2cccc(COC3CCCCC3)c2)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000468741084 986455144 /nfs/dbraw/zinc/45/51/44/986455144.db2.gz WZMNSFGCIMSRET-UHFFFAOYSA-N -1 2 408.458 3.846 20 0 HHADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(OC(C)C)cc1C(F)(F)F ZINC000467756670 993001955 /nfs/dbraw/zinc/00/19/55/993001955.db2.gz BGIXOOXUFVOACJ-UHFFFAOYSA-N -1 2 407.366 3.893 20 0 HHADLM Cc1nn(-c2ccccc2)c(C)c1NS(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C ZINC000476276662 996725589 /nfs/dbraw/zinc/72/55/89/996725589.db2.gz UWWMSRXRAGKDCX-UHFFFAOYSA-N -1 2 419.890 3.950 20 0 HHADLM O=C([O-])c1c(F)cccc1NS(=O)(=O)c1cc(Br)sc1Cl ZINC000484506392 996834394 /nfs/dbraw/zinc/83/43/94/996834394.db2.gz XFILEJITYREKHW-UHFFFAOYSA-N -1 2 414.661 3.802 20 0 HHADLM COc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc(Cl)ccc1Br ZINC000485387152 997815305 /nfs/dbraw/zinc/81/53/05/997815305.db2.gz GROCCQAIHNTFKK-UHFFFAOYSA-N -1 2 420.668 3.610 20 0 HHADLM CCc1c(NS(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)cnn1CCC(C)C ZINC000479233658 999336481 /nfs/dbraw/zinc/33/64/81/999336481.db2.gz GKVABHKCKLEKTO-UHFFFAOYSA-N -1 2 413.927 3.952 20 0 HHADLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)c(Cl)cc1OC ZINC000480190564 999740606 /nfs/dbraw/zinc/74/06/06/999740606.db2.gz DTHNBKQWNPESHG-UHFFFAOYSA-N -1 2 406.243 3.510 20 0 HHADLM CCc1c(NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cnn1-c1cccc(C)c1 ZINC000480229969 999751232 /nfs/dbraw/zinc/75/12/32/999751232.db2.gz WEXNSGIYMZEBEI-UHFFFAOYSA-N -1 2 419.890 3.896 20 0 HHADLM CCc1c(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)cnn1-c1ccc(Cl)cc1 ZINC000480230652 999751506 /nfs/dbraw/zinc/75/15/06/999751506.db2.gz WZADXIDKISOOBS-UHFFFAOYSA-N -1 2 419.890 3.896 20 0 HHADLM Cc1cc(C(=O)Nc2cc(Cl)ccc2OC2CCCC2)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000494264447 1000398997 /nfs/dbraw/zinc/39/89/97/1000398997.db2.gz HFCPWYATVUXZJE-UHFFFAOYSA-N -1 2 414.849 3.972 20 0 HHADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)c1 ZINC000512732559 1004524509 /nfs/dbraw/zinc/52/45/09/1004524509.db2.gz FSFKGVAURPNZBJ-UHFFFAOYSA-N -1 2 420.384 3.718 20 0 HHADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2ccc(Oc3ccccc3)nc2)c1 ZINC000512741896 1004531688 /nfs/dbraw/zinc/53/16/88/1004531688.db2.gz BLZANVKIRJZFIO-UHFFFAOYSA-N -1 2 402.403 3.820 20 0 HHADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cc(-c3ccccc3)n[nH]2)cc1C(F)(F)F ZINC000532843644 1007229005 /nfs/dbraw/zinc/22/90/05/1007229005.db2.gz ISLFVKJJCHLRML-UHFFFAOYSA-N -1 2 411.361 3.595 20 0 HHADLM CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc(F)c(Br)cc1F ZINC000535990453 1008029736 /nfs/dbraw/zinc/02/97/36/1008029736.db2.gz BFFVSRRVBBKHIU-UHFFFAOYSA-N -1 2 420.231 3.789 20 0 HHADLM Cc1cc(NS(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)nn1[C@H](C)C1CC1 ZINC000543162925 1008737342 /nfs/dbraw/zinc/73/73/42/1008737342.db2.gz ZPFOCOUUQVEAIF-OAHLLOKOSA-N -1 2 405.520 3.516 20 0 HHADLM Cc1cc(C)c(C(=O)[O-])cc1NS(=O)(=O)c1cccc(Br)c1F ZINC000543769715 1009339881 /nfs/dbraw/zinc/33/98/81/1009339881.db2.gz SJBDXHXXRQUJDN-UHFFFAOYSA-N -1 2 402.241 3.704 20 0 HHADLM COc1ccc(CCC(=O)[O-])cc1NS(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000548590816 1010674202 /nfs/dbraw/zinc/67/42/02/1010674202.db2.gz ABBYQTSJDWNCCC-UHFFFAOYSA-N -1 2 421.368 3.671 20 0 HHADLM Cc1cc(S(=O)(=O)Nc2cnoc2-c2ccccc2)ccc1OCCCC(=O)[O-] ZINC000540696476 1011348990 /nfs/dbraw/zinc/34/89/90/1011348990.db2.gz PTLYOSUTGUCEDM-UHFFFAOYSA-N -1 2 416.455 3.694 20 0 HHADLM COc1cccc([C@H]2[C@@H](NS(=O)(=O)c3cc4ccccc4o3)CC[N@H+]2C2CC2)c1 ZINC000540894701 1011568649 /nfs/dbraw/zinc/56/86/49/1011568649.db2.gz IYQXYSQWDFPTOK-UGKGYDQZSA-N -1 2 412.511 3.698 20 0 HHADLM CC(C)Cn1cc(NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c(C(F)F)n1 ZINC000536415865 1011631277 /nfs/dbraw/zinc/63/12/77/1011631277.db2.gz HKCCLAKJGSQRDD-UHFFFAOYSA-N -1 2 407.826 3.629 20 0 HHADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)c(F)c1 ZINC000537394926 1012877849 /nfs/dbraw/zinc/87/78/49/1012877849.db2.gz RWUIMRSZGUABSG-UHFFFAOYSA-N -1 2 413.386 3.528 20 0 HHADLM O=S(=O)(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)c1ccc(Cl)cc1F ZINC000614859868 1071780144 /nfs/dbraw/zinc/78/01/44/1071780144.db2.gz AWZOOHDJGLDXSU-UHFFFAOYSA-N -1 2 418.868 3.700 20 0 HHADLM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1OCc1cscn1 ZINC000591682101 1074485175 /nfs/dbraw/zinc/48/51/75/1074485175.db2.gz XHOSPMFZKVSRJH-UHFFFAOYSA-N -1 2 410.498 3.591 20 0 HHADLM COc1ccc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc1OC1CCCC1 ZINC000055583959 965938193 /nfs/dbraw/zinc/93/81/93/965938193.db2.gz NCGDDSZFPSSXKC-UHFFFAOYSA-N -1 2 411.501 3.886 20 0 HHADLM CCOc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1Br ZINC000326100685 972738821 /nfs/dbraw/zinc/73/88/21/972738821.db2.gz VXGCQJOIZNUWPS-UHFFFAOYSA-N -1 2 414.277 3.655 20 0 HHADLM COc1ccc(C)cc1NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1Br ZINC000326756222 972747704 /nfs/dbraw/zinc/74/77/04/972747704.db2.gz YDOTWRPYINLURE-UHFFFAOYSA-N -1 2 414.277 3.574 20 0 HHADLM C[C@H](Cc1ccc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2F)cc1)C(=O)[O-] ZINC000427343550 975066149 /nfs/dbraw/zinc/06/61/49/975066149.db2.gz CDQNZQMUIDOJSD-SNVBAGLBSA-N -1 2 421.368 3.788 20 0 HHADLM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(-c3n[nH]c(=O)[nH]3)cc(C(F)(F)F)c2)s1 ZINC000431181741 978080403 /nfs/dbraw/zinc/08/04/03/978080403.db2.gz LBXYRXFQSZOGCS-UHFFFAOYSA-N -1 2 418.422 3.675 20 0 HHADLM Cc1c(NS(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)cnn1-c1ccccc1 ZINC000435137947 980668733 /nfs/dbraw/zinc/66/87/33/980668733.db2.gz HKFCVJIPDJUDKT-UHFFFAOYSA-N -1 2 405.863 3.642 20 0 HHADLM Cc1c(NS(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)cnn1-c1ccccc1F ZINC000435141043 980672706 /nfs/dbraw/zinc/67/27/06/980672706.db2.gz XERQFBIMIIXCEL-UHFFFAOYSA-N -1 2 423.853 3.781 20 0 HHADLM O=C(Nc1ccc(-n2nn[n-]c2=O)cc1)c1cc(-c2ccccc2)cc(Cl)c1O ZINC000436987505 981669212 /nfs/dbraw/zinc/66/92/12/981669212.db2.gz JHKPFSIIVREJQK-UHFFFAOYSA-N -1 2 407.817 3.646 20 0 HHADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccccc2OCC(F)(F)F)c(Cl)c1 ZINC000462055401 985029417 /nfs/dbraw/zinc/02/94/17/985029417.db2.gz FAPSNJTYMHSUQU-UHFFFAOYSA-N -1 2 409.769 3.780 20 0 HHADLM Cc1cc(S(=O)(=O)Nc2ccc(OCC(F)(F)F)c(F)c2)sc1C(=O)[O-] ZINC000443412320 985567721 /nfs/dbraw/zinc/56/77/21/985567721.db2.gz BARIMSXKBIMFEA-UHFFFAOYSA-N -1 2 413.370 3.636 20 0 HHADLM Cc1cc(C(=O)Nc2ccc(COCc3ccccc3)cc2)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000469707352 987363601 /nfs/dbraw/zinc/36/36/01/987363601.db2.gz HOYZWSYYLPMSNC-UHFFFAOYSA-N -1 2 416.437 3.714 20 0 HHADLM CCOc1c(Cl)cc(NC(=O)c2cc(C)c3c(=O)[nH]c(=O)nc-3[n-]2)cc1Cl ZINC000466274724 991520333 /nfs/dbraw/zinc/52/03/33/991520333.db2.gz VVTVUQIAZWIYEA-UHFFFAOYSA-N -1 2 409.229 3.702 20 0 HHADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)cc1NC(=O)c1ccco1 ZINC000467775617 993015175 /nfs/dbraw/zinc/01/51/75/993015175.db2.gz FQCAHELBFQICDF-UHFFFAOYSA-N -1 2 424.818 3.586 20 0 HHADLM O=C([O-])c1ccc(NS(=O)(=O)c2cc(F)c(F)c(F)c2)c(OC(F)(F)F)c1 ZINC000488283720 999423426 /nfs/dbraw/zinc/42/34/26/999423426.db2.gz UQJMIMBAQNQAFH-UHFFFAOYSA-N -1 2 415.267 3.502 20 0 HHADLM CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1ccc(Br)cc1F ZINC000479519608 999456861 /nfs/dbraw/zinc/45/68/61/999456861.db2.gz UCSZQHMMMBESPS-UHFFFAOYSA-N -1 2 420.281 3.809 20 0 HHADLM CCc1c(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)cnn1-c1ccccc1Cl ZINC000480239054 999753607 /nfs/dbraw/zinc/75/36/07/999753607.db2.gz DINKGZHQHUOGJA-UHFFFAOYSA-N -1 2 419.890 3.896 20 0 HHADLM CCc1c(NS(=O)(=O)c2cccc(C(=O)[O-])c2)cnn1-c1cccc(Cl)c1 ZINC000480240739 999754123 /nfs/dbraw/zinc/75/41/23/999754123.db2.gz JUXDZEAJPGPXTG-UHFFFAOYSA-N -1 2 405.863 3.587 20 0 HHADLM CCc1c(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cnn1-c1ccc(Cl)cc1 ZINC000480241379 999754330 /nfs/dbraw/zinc/75/43/30/999754330.db2.gz MYFJLWWIXMYYFY-UHFFFAOYSA-N -1 2 423.853 3.726 20 0 HHADLM CCOc1cc2c(cc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl)O[C@H](C)C2 ZINC000489728223 999826003 /nfs/dbraw/zinc/82/60/03/999826003.db2.gz YOOKPWOWMCIGTL-SNVBAGLBSA-N -1 2 411.863 3.561 20 0 HHADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)cs1 ZINC000505281420 1000667722 /nfs/dbraw/zinc/66/77/22/1000667722.db2.gz OBOJWXKBFVAPFU-UHFFFAOYSA-N -1 2 415.798 3.842 20 0 HHADLM COc1ccc(-c2ccc(C)c(NS(=O)(=O)c3cc(C)c(C(=O)[O-])s3)c2)cn1 ZINC000509396691 1003827420 /nfs/dbraw/zinc/82/74/20/1003827420.db2.gz MLWWLIPFNMRCGM-UHFFFAOYSA-N -1 2 418.496 3.935 20 0 HHADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2ccc(NC(=O)CC(C)C)cc2)c1 ZINC000512772150 1004550721 /nfs/dbraw/zinc/55/07/21/1004550721.db2.gz VXVAMWNMSMQADR-UHFFFAOYSA-N -1 2 408.451 3.618 20 0 HHADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2ccc(Cl)c(OC(F)F)c2)c1 ZINC000504017772 1005533640 /nfs/dbraw/zinc/53/36/40/1005533640.db2.gz BMENUIFRYUKJBK-UHFFFAOYSA-N -1 2 409.769 3.888 20 0 HHADLM CCc1ccc(S(=O)(=O)Nc2cnn(CC(C)C)c2C(F)F)cc1C(=O)[O-] ZINC000550972051 1010289369 /nfs/dbraw/zinc/28/93/69/1010289369.db2.gz LQEMMFLRMIRADQ-UHFFFAOYSA-N -1 2 401.435 3.538 20 0 HHADLM Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc(Br)sc1Cl ZINC000547881115 1010459530 /nfs/dbraw/zinc/45/95/30/1010459530.db2.gz DJHVEGDQVZDYKI-UHFFFAOYSA-N -1 2 410.698 3.971 20 0 HHADLM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)Nc1cccc(Cl)c1OC(C)C ZINC000522803998 1011236445 /nfs/dbraw/zinc/23/64/45/1011236445.db2.gz CPPOTTBNYPWNHQ-UHFFFAOYSA-N -1 2 413.879 3.564 20 0 HHADLM Cc1cc(C)c(NS(=O)(=O)c2cc(Br)ccc2F)c(C(=O)[O-])c1 ZINC000523871461 1012567924 /nfs/dbraw/zinc/56/79/24/1012567924.db2.gz NNIHCMGHTBIAJA-UHFFFAOYSA-N -1 2 402.241 3.704 20 0 HHADLM O=C([O-])c1cc2c(c(S(=O)(=O)Nc3cccnc3Oc3ccccc3)c1)CCC2 ZINC000614843321 1071760218 /nfs/dbraw/zinc/76/02/18/1071760218.db2.gz BEBPEXDNLVVQFR-UHFFFAOYSA-N -1 2 410.451 3.862 20 0 HHADLM CCOC(=O)c1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000013341470 962388854 /nfs/dbraw/zinc/38/88/54/962388854.db2.gz DNUBXVMLDDEXCQ-UHFFFAOYSA-N -1 2 418.254 3.669 20 0 HHADLM CSc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])sc1Br ZINC000037421100 966474235 /nfs/dbraw/zinc/47/42/35/966474235.db2.gz MZJBEDFELXSLMP-UHFFFAOYSA-N -1 2 408.320 3.732 20 0 HHADLM Cc1cc(S(=O)(=O)Nc2c(C)cc(Br)cc2C)sc1C(=O)[O-] ZINC000045946661 967604545 /nfs/dbraw/zinc/60/45/45/967604545.db2.gz XLWZVJITIKQDSB-UHFFFAOYSA-N -1 2 404.307 3.935 20 0 HHADLM O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2cccc(Cl)c2-n2cccn2)c1 ZINC000048382613 968537091 /nfs/dbraw/zinc/53/70/91/968537091.db2.gz ARZRDVBCYDCNHR-UHFFFAOYSA-N -1 2 412.254 3.678 20 0 HHADLM Cc1cc(Br)cc(C)c1NS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000097211401 969102739 /nfs/dbraw/zinc/10/27/39/969102739.db2.gz JJBAWJWVHCTYCS-UHFFFAOYSA-N -1 2 402.241 3.704 20 0 HHADLM CCc1cccc(NS(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2F)c1 ZINC000320062793 972676545 /nfs/dbraw/zinc/67/65/45/972676545.db2.gz SVQPTMLKFCEPRT-UHFFFAOYSA-N -1 2 402.241 3.650 20 0 HHADLM CCCc1c(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)cnn1-c1ccc(F)cc1 ZINC000432082934 978673266 /nfs/dbraw/zinc/67/32/66/978673266.db2.gz WWSCGQXXEKIBGM-UHFFFAOYSA-N -1 2 417.462 3.771 20 0 HHADLM CCCc1c(NS(=O)(=O)c2csc(C(=O)[O-])c2)cnn1-c1ccc(F)cc1 ZINC000432089606 978675966 /nfs/dbraw/zinc/67/59/66/978675966.db2.gz KCCUUSZOJHBFOL-UHFFFAOYSA-N -1 2 409.464 3.524 20 0 HHADLM Cc1csc(Sc2ccc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3O)cc2)n1 ZINC000433513865 979349350 /nfs/dbraw/zinc/34/93/50/979349350.db2.gz VULDOSZEAQLKMZ-UHFFFAOYSA-N -1 2 422.509 3.807 20 0 HHADLM Cc1ccc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)c(SCCC(=O)[O-])c1 ZINC000460451227 982244564 /nfs/dbraw/zinc/24/45/64/982244564.db2.gz UDGXBYOUDIWJJK-UHFFFAOYSA-N -1 2 417.512 3.548 20 0 HHADLM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)Nc1cccnc1-c1csc(C)c1 ZINC000437669250 982284562 /nfs/dbraw/zinc/28/45/62/982284562.db2.gz DBPJJARGGUZVGZ-UHFFFAOYSA-N -1 2 418.496 3.555 20 0 HHADLM Cc1nn(-c2ccccc2)c(C)c1NS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000438806353 983082336 /nfs/dbraw/zinc/08/23/36/983082336.db2.gz AOQCNLCGPCMPJP-UHFFFAOYSA-N -1 2 405.863 3.642 20 0 HHADLM Cn1cc(S(=O)(=O)Nc2ccccc2Oc2cc(F)cc(F)c2)cc1C(=O)[O-] ZINC000468969408 986673741 /nfs/dbraw/zinc/67/37/41/986673741.db2.gz NADZMZWSHDQAAH-UHFFFAOYSA-N -1 2 408.382 3.595 20 0 HHADLM Cc1cccc(Oc2ccc(NC(=O)c3cc(C)c4c(=O)[nH]c(=O)nc-4[n-]3)cn2)c1C ZINC000469905851 987538174 /nfs/dbraw/zinc/53/81/74/987538174.db2.gz JSEXCPYGOGQMKC-UHFFFAOYSA-N -1 2 417.425 3.801 20 0 HHADLM Cc1ccc(-n2cc(NS(=O)(=O)c3ccc(C(=O)[O-])c(Cl)c3)cn2)c(C)c1 ZINC000466428333 991717936 /nfs/dbraw/zinc/71/79/36/991717936.db2.gz LAYYIWOCYSIKIT-UHFFFAOYSA-N -1 2 405.863 3.642 20 0 HHADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cccc3cccnc32)c(OC(F)(F)F)c1 ZINC000486106547 998553850 /nfs/dbraw/zinc/55/38/50/998553850.db2.gz GCIJOVFURCWQTN-UHFFFAOYSA-N -1 2 412.345 3.632 20 0 HHADLM CCCc1nc(C)c(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Br)s1 ZINC000486109360 998556047 /nfs/dbraw/zinc/55/60/47/998556047.db2.gz NEVVZFGGCDOPFJ-UHFFFAOYSA-N -1 2 419.322 3.666 20 0 HHADLM Cc1c(Cl)cc(S(=O)(=O)Nc2cnc(-c3ccccc3)nc2)cc1C(=O)[O-] ZINC000479239365 999340009 /nfs/dbraw/zinc/34/00/09/999340009.db2.gz KPSYLPCVEBVVAU-UHFFFAOYSA-N -1 2 403.847 3.604 20 0 HHADLM O=C([O-])CCCc1ccc(NS(=O)(=O)c2ccc(Br)cc2F)cc1 ZINC000479511336 999452650 /nfs/dbraw/zinc/45/26/50/999452650.db2.gz JHTHILYYJIKRLX-UHFFFAOYSA-N -1 2 416.268 3.796 20 0 HHADLM CCCCn1ncc(NS(=O)(=O)c2ccc(C(=O)CCC(=O)[O-])cc2)c1C(C)C ZINC000480242648 999754755 /nfs/dbraw/zinc/75/47/55/999754755.db2.gz BQAXSSBRSTWNRY-UHFFFAOYSA-N -1 2 421.519 3.655 20 0 HHADLM Cn1cc(S(=O)(=O)Nc2ccccc2Oc2ccccc2Cl)cc1C(=O)[O-] ZINC000491058473 1000040416 /nfs/dbraw/zinc/04/04/16/1000040416.db2.gz HFLZDVYBEFZKRC-UHFFFAOYSA-N -1 2 406.847 3.970 20 0 HHADLM Cc1cc(S(=O)(=O)Nc2cc(Cc3ccccn3)ccc2C)sc1C(=O)[O-] ZINC000509397369 1003828626 /nfs/dbraw/zinc/82/86/26/1003828626.db2.gz SLVMUVKEVKLZFO-UHFFFAOYSA-N -1 2 402.497 3.850 20 0 HHADLM CCc1nnc(NC(=O)c2sccc2S(=O)(=O)[N-]c2ccc(C)cc2)s1 ZINC000504048953 1005540767 /nfs/dbraw/zinc/54/07/67/1005540767.db2.gz FKUZMZPOUZHVCI-UHFFFAOYSA-N -1 2 408.530 3.524 20 0 HHADLM O=C([O-])CCC(=O)c1ccc(S(=O)(=O)Nc2cnc(-c3ccccc3)s2)cc1 ZINC000534331777 1006303553 /nfs/dbraw/zinc/30/35/53/1006303553.db2.gz KYTHXGGNXNGKRA-UHFFFAOYSA-N -1 2 416.480 3.658 20 0 HHADLM Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn(CC(C)C)c1C(F)F ZINC000535506302 1007561698 /nfs/dbraw/zinc/56/16/98/1007561698.db2.gz DLIZCZHHNRUVCS-UHFFFAOYSA-N -1 2 421.853 3.938 20 0 HHADLM COc1cc(Cl)c(S(=O)(=O)Nc2cc(F)c(C(=O)[O-])cc2OC)cc1Cl ZINC000535894242 1007914191 /nfs/dbraw/zinc/91/41/91/1007914191.db2.gz IIJWCHBOUQJWSM-UHFFFAOYSA-N -1 2 424.233 3.649 20 0 HHADLM CC(=O)Nc1ccc(NS(=O)(=O)c2c(Cl)ccc(C)c2Cl)c(C(=O)[O-])c1 ZINC000547546288 1010346298 /nfs/dbraw/zinc/34/62/98/1010346298.db2.gz FTXPXCSPEKRREA-UHFFFAOYSA-N -1 2 417.270 3.759 20 0 HHADLM CCc1ccc(S(=O)(=O)Nc2cc(Br)c(C)c(C(=O)[O-])c2)s1 ZINC000551470449 1010606118 /nfs/dbraw/zinc/60/61/18/1010606118.db2.gz BQBNMNGVWFHIGJ-UHFFFAOYSA-N -1 2 404.307 3.880 20 0 HHADLM Cc1cc(C)c(C(=O)[O-])cc1NS(=O)(=O)c1cc(Br)ccc1F ZINC000548537355 1010659038 /nfs/dbraw/zinc/65/90/38/1010659038.db2.gz UANYTVBLDRZXPP-UHFFFAOYSA-N -1 2 402.241 3.704 20 0 HHADLM Cc1cc(S(=O)(=O)Nc2cccc(C[S@](=O)C(C)(C)C)c2)sc1C(=O)[O-] ZINC000522528480 1011064794 /nfs/dbraw/zinc/06/47/94/1011064794.db2.gz BOEPEZNCDNDYMP-VWLOTQADSA-N -1 2 415.558 3.603 20 0 HHADLM O=C([O-])c1ccc(Oc2ccc(Cl)cc2)c(NS(=O)(=O)C[C@@H]2CCCO2)c1 ZINC000522795646 1011227963 /nfs/dbraw/zinc/22/79/63/1011227963.db2.gz WXUFRISOAOVYIS-HNNXBMFYSA-N -1 2 411.863 3.751 20 0 HHADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2cc(F)c(Br)c(F)c2)c1 ZINC000536993425 1012294629 /nfs/dbraw/zinc/29/46/29/1012294629.db2.gz TVBJPZDWRKNTCZ-UHFFFAOYSA-N -1 2 424.194 3.674 20 0 HHADLM CCCc1c(NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cnn1-c1ccccc1 ZINC000542094461 1013024607 /nfs/dbraw/zinc/02/46/07/1013024607.db2.gz UGOZMMRWQVBKPV-UHFFFAOYSA-N -1 2 419.890 3.977 20 0 HHADLM O=C([O-])c1csc(S(=O)(=O)Nc2ccc(OCc3ccccc3F)cc2)c1 ZINC000064478372 967205588 /nfs/dbraw/zinc/20/55/88/967205588.db2.gz DGSZKMJRCZZJFO-UHFFFAOYSA-N -1 2 407.444 3.965 20 0 HHADLM Cc1cc(F)ccc1NS(=O)(=O)c1cc(Br)cc(C(=O)[O-])c1F ZINC000320103253 972676494 /nfs/dbraw/zinc/67/64/94/972676494.db2.gz YTTITZXFCOXUKA-UHFFFAOYSA-N -1 2 406.204 3.535 20 0 HHADLM O=C([O-])c1ccc(Br)c(S(=O)(=O)Nc2nc3ccccc3s2)c1 ZINC000320630524 972684384 /nfs/dbraw/zinc/68/43/84/972684384.db2.gz GHIWLCFABBFDGK-UHFFFAOYSA-N -1 2 413.274 3.558 20 0 HHADLM COc1cc(NS(=O)(=O)c2c(Cl)cccc2Br)ccc1C(=O)[O-] ZINC000323966904 972718188 /nfs/dbraw/zinc/71/81/88/972718188.db2.gz BSWWRALNICOXMH-UHFFFAOYSA-N -1 2 420.668 3.610 20 0 HHADLM O=C([O-])c1ccc(NS(=O)(=O)c2cccc(Br)c2F)cc1Cl ZINC000410377353 973976192 /nfs/dbraw/zinc/97/61/92/973976192.db2.gz ZZUHRZFEHZNNDB-UHFFFAOYSA-N -1 2 408.632 3.741 20 0 HHADLM Cc1cc(C(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000427443922 975121146 /nfs/dbraw/zinc/12/11/46/975121146.db2.gz NMEGOIFRTGIFAH-UHFFFAOYSA-N -1 2 421.457 3.516 20 0 HHADLM CCCc1c(NS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cnn1-c1ccccc1C ZINC000432054012 978662361 /nfs/dbraw/zinc/66/23/61/978662361.db2.gz SBTNCLNQCJATEG-UHFFFAOYSA-N -1 2 417.462 3.771 20 0 HHADLM O=C([O-])CCC(=O)c1cccc(NS(=O)(=O)c2c(Cl)cc(F)cc2Cl)c1 ZINC000435500005 980904793 /nfs/dbraw/zinc/90/47/93/980904793.db2.gz FCEHUEMENYTLDT-UHFFFAOYSA-N -1 2 420.245 3.981 20 0 HHADLM CCOc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000462100135 985070941 /nfs/dbraw/zinc/07/09/41/985070941.db2.gz GJYULTKEVVPANP-UHFFFAOYSA-N -1 2 423.340 3.622 20 0 HHADLM Cc1ccnc(Oc2cc(NC(=O)c3cc(C)c4c(=O)[nH]c(=O)nc-4[n-]3)ccc2C)c1 ZINC000469603512 987267458 /nfs/dbraw/zinc/26/74/58/987267458.db2.gz VFHWMGUTIOEHNJ-UHFFFAOYSA-N -1 2 417.425 3.801 20 0 HHADLM O=S(=O)(Cc1cc(-c2ccc(F)cc2)no1)[N-]c1cc(F)cc(Cl)c1O ZINC000471950110 990114508 /nfs/dbraw/zinc/11/45/08/990114508.db2.gz BHTPEPARUQBEHV-UHFFFAOYSA-N -1 2 400.790 3.921 20 0 HHADLM CCc1c(NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cnn1-c1ccccc1 ZINC000466472290 991763132 /nfs/dbraw/zinc/76/31/32/991763132.db2.gz GDKMZGLDOUULCR-UHFFFAOYSA-N -1 2 405.863 3.587 20 0 HHADLM COc1cc(F)c(S(=O)(=O)Nc2cc(Cl)c(Cl)c(C(=O)[O-])c2)cc1OC ZINC000481450570 994287053 /nfs/dbraw/zinc/28/70/53/994287053.db2.gz QZKRKTBLNPCHTN-UHFFFAOYSA-N -1 2 424.233 3.649 20 0 HHADLM O=C([O-])c1ccc(NS(=O)(=O)c2cc(F)ccc2Cl)c(OC(F)(F)F)c1 ZINC000488265542 999416465 /nfs/dbraw/zinc/41/64/65/999416465.db2.gz SDHZOARJULZXIP-UHFFFAOYSA-N -1 2 413.732 3.877 20 0 HHADLM CCc1c(NS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cnn1-c1cccc(Cl)c1 ZINC000480221714 999748952 /nfs/dbraw/zinc/74/89/52/999748952.db2.gz GYEOTLOMFRSUMB-UHFFFAOYSA-N -1 2 423.853 3.726 20 0 HHADLM Cc1cc(NS(=O)(=O)c2ccc(OCCCC(=O)[O-])c(Cl)c2)cc2[nH]ncc21 ZINC000499269816 1002674914 /nfs/dbraw/zinc/67/49/14/1002674914.db2.gz ZOVXCZZHVTZDOG-UHFFFAOYSA-N -1 2 423.878 3.569 20 0 HHADLM COc1c(C)cc(C)cc1S(=O)(=O)Nc1cc(C(=O)[O-])ccc1OC(F)(F)F ZINC000509387629 1003817186 /nfs/dbraw/zinc/81/71/86/1003817186.db2.gz NXPPBFUWOCXELK-UHFFFAOYSA-N -1 2 419.377 3.710 20 0 HHADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2cc(NC(=O)C(C)(C)C)ccc2C)c1 ZINC000512772070 1004550926 /nfs/dbraw/zinc/55/09/26/1004550926.db2.gz UPPWWGMJXCYUDN-UHFFFAOYSA-N -1 2 422.478 3.926 20 0 HHADLM CC(C)(C)c1ccc(NS(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)c(C(=O)[O-])c1 ZINC000511721907 1005292525 /nfs/dbraw/zinc/29/25/25/1005292525.db2.gz JCBAMJXZOFHHEI-UHFFFAOYSA-N -1 2 420.462 3.507 20 0 HHADLM Cc1ccc(NS(=O)(=O)c2cc(F)c(Br)cc2F)cc1C(=O)[O-] ZINC000534498974 1006497296 /nfs/dbraw/zinc/49/72/96/1006497296.db2.gz QMRDRYQWDRNBOR-UHFFFAOYSA-N -1 2 406.204 3.535 20 0 HHADLM Cc1cc(C)c(S(=O)(=O)Nc2cnn(CC(C)C)c2C(F)F)cc1C(=O)[O-] ZINC000535508150 1007563637 /nfs/dbraw/zinc/56/36/37/1007563637.db2.gz MBMNRASESRIDJF-UHFFFAOYSA-N -1 2 401.435 3.593 20 0 HHADLM CCCc1c(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cnn1-c1cccc(F)c1 ZINC000543163324 1008737904 /nfs/dbraw/zinc/73/79/04/1008737904.db2.gz HFFJZZORFHLJKK-UHFFFAOYSA-N -1 2 421.425 3.602 20 0 HHADLM CCCc1ccc(Cl)c(S(=O)(=O)Nc2cc(C(=O)[O-])cc(OC)c2OC)c1 ZINC000520244687 1009364897 /nfs/dbraw/zinc/36/48/97/1009364897.db2.gz GIVDSUOCAOOEJG-UHFFFAOYSA-N -1 2 413.879 3.809 20 0 HHADLM Cc1ccccc1CNc1ccccc1NC(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[n-]1 ZINC000543940346 1009533538 /nfs/dbraw/zinc/53/35/38/1009533538.db2.gz OMQHXNXPMLRZSB-UHFFFAOYSA-N -1 2 415.453 3.917 20 0 HHADLM COc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cccc(Br)c1Cl ZINC000551108517 1010374254 /nfs/dbraw/zinc/37/42/54/1010374254.db2.gz DEJMBQMVNFLMEJ-UHFFFAOYSA-N -1 2 420.668 3.610 20 0 HHADLM Cc1ccc(Br)c(C(=O)[O-])c1NS(=O)(=O)c1cc(F)c(F)cc1F ZINC000548229650 1010566649 /nfs/dbraw/zinc/56/66/49/1010566649.db2.gz XUESFNRIGYCISA-UHFFFAOYSA-N -1 2 424.194 3.674 20 0 HHADLM O=C([O-])CCCc1ccccc1NS(=O)(=O)c1ccc(Br)cc1F ZINC000541000101 1011634703 /nfs/dbraw/zinc/63/47/03/1011634703.db2.gz FMNQGQIIYVXFOA-UHFFFAOYSA-N -1 2 416.268 3.796 20 0 HHADLM CC(C)(C)Oc1c(F)cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1F ZINC000541126663 1011784429 /nfs/dbraw/zinc/78/44/29/1011784429.db2.gz FPOUHYHHXDQSDK-UHFFFAOYSA-N -1 2 403.378 3.780 20 0 HHADLM Cn1ccnc1Sc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000729665887 1071780764 /nfs/dbraw/zinc/78/07/64/1071780764.db2.gz ONMJBIWZEGNZDD-UHFFFAOYSA-N -1 2 423.903 3.724 20 0 HHADLM CSc1ccc(NS(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2F)cc1 ZINC000320163461 972675829 /nfs/dbraw/zinc/67/58/29/972675829.db2.gz LJKJQLZWOIOXJM-UHFFFAOYSA-N -1 2 420.281 3.809 20 0 HHADLM Cc1ccc(NS(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2F)c(C)c1 ZINC000320119165 972676025 /nfs/dbraw/zinc/67/60/25/972676025.db2.gz DKEBQFYFJGFUJU-UHFFFAOYSA-N -1 2 402.241 3.704 20 0 HHADLM Cc1cc(F)c(Br)cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000322776352 972703400 /nfs/dbraw/zinc/70/34/00/972703400.db2.gz HJPOEZOGKJPKIW-UHFFFAOYSA-N -1 2 406.204 3.535 20 0 HHADLM Cc1c(COc2ccccc2)cccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000433527064 979359043 /nfs/dbraw/zinc/35/90/43/979359043.db2.gz XXGVSYPWLIUXHV-UHFFFAOYSA-N -1 2 413.451 3.779 20 0 HHADLM CC(C)Oc1ccc(Br)cc1NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000433601511 979417349 /nfs/dbraw/zinc/41/73/49/979417349.db2.gz YOIWOLADMGNMAT-UHFFFAOYSA-N -1 2 420.306 3.797 20 0 HHADLM Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)Nc2cc(F)ccc2SCC(F)F)c1 ZINC000436956281 981645877 /nfs/dbraw/zinc/64/58/77/981645877.db2.gz PWCWDLWMIRZUOV-UHFFFAOYSA-N -1 2 421.418 3.696 20 0 HHADLM Cc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2F)c(SCCC(=O)[O-])c1 ZINC000460451644 982245543 /nfs/dbraw/zinc/24/55/43/982245543.db2.gz VJPZVMXCWLAYGK-UHFFFAOYSA-N -1 2 405.419 3.780 20 0 HHADLM COc1ccccc1-c1cccc(NC(=O)c2cc(C)c3c(=O)[nH]c(=O)nc-3[n-]2)c1 ZINC000468884015 986590541 /nfs/dbraw/zinc/59/05/41/986590541.db2.gz GQFQNHFLEIUNLU-UHFFFAOYSA-N -1 2 402.410 3.672 20 0 HHADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1OCCc1ccccc1 ZINC000467767098 993009540 /nfs/dbraw/zinc/00/95/40/993009540.db2.gz DBLGTJGJBNOEAC-UHFFFAOYSA-N -1 2 401.440 3.709 20 0 HHADLM Cc1ccc(NS(=O)(=O)c2c[nH]c3cccc(F)c32)c(SCCC(=O)[O-])c1 ZINC000484495386 996819337 /nfs/dbraw/zinc/81/93/37/996819337.db2.gz BJYOBEOOERWLPD-UHFFFAOYSA-N -1 2 408.476 3.983 20 0 HHADLM CSc1ccccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1OC(F)(F)F ZINC000486096935 998545716 /nfs/dbraw/zinc/54/57/16/998545716.db2.gz FBAILGRYZGWCCK-UHFFFAOYSA-N -1 2 407.391 3.806 20 0 HHADLM CCc1c(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cnn1-c1cccc(C)c1 ZINC000480199051 999743107 /nfs/dbraw/zinc/74/31/07/999743107.db2.gz JYMRNGCPGBASNT-UHFFFAOYSA-N -1 2 419.890 3.896 20 0 HHADLM CCc1c(NS(=O)(=O)c2cccc(C(=O)[O-])c2C)cnn1-c1cccc(Cl)c1 ZINC000480217580 999748076 /nfs/dbraw/zinc/74/80/76/999748076.db2.gz BSBJSYSQTIIKOT-UHFFFAOYSA-N -1 2 419.890 3.896 20 0 HHADLM CCc1c(NS(=O)(=O)c2cccc(C(=O)[O-])c2C)cnn1-c1ccc(Cl)cc1 ZINC000480228869 999750805 /nfs/dbraw/zinc/75/08/05/999750805.db2.gz TZVUQMDOMNTDDD-UHFFFAOYSA-N -1 2 419.890 3.896 20 0 HHADLM CCn1cc(S(=O)(=O)Nc2cnn(-c3ccc(C)cc3)c2C(C)C)cc1C(=O)[O-] ZINC000480240567 999754201 /nfs/dbraw/zinc/75/42/01/999754201.db2.gz JDDGXEZPEOTQRJ-UHFFFAOYSA-N -1 2 416.503 3.625 20 0 HHADLM CCOc1cc2c(cc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl)O[C@@H](C)C2 ZINC000489728221 999826022 /nfs/dbraw/zinc/82/60/22/999826022.db2.gz YOOKPWOWMCIGTL-JTQLQIEISA-N -1 2 411.863 3.561 20 0 HHADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccccc2-c2n[nH]c(C3CC3)n2)c(Cl)c1 ZINC000489747965 999830171 /nfs/dbraw/zinc/83/01/71/999830171.db2.gz ZLVUCFWUPHESNR-UHFFFAOYSA-N -1 2 418.862 3.502 20 0 HHADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2cc(NC(=O)C(C)C)ccc2C)c1 ZINC000512724447 1004519761 /nfs/dbraw/zinc/51/97/61/1004519761.db2.gz CRQKIRZLBUATLR-UHFFFAOYSA-N -1 2 408.451 3.536 20 0 HHADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2ccc(Br)c(F)c2)c1 ZINC000512753186 1004537644 /nfs/dbraw/zinc/53/76/44/1004537644.db2.gz WALFPTMMVZDPSG-UHFFFAOYSA-N -1 2 406.204 3.535 20 0 HHADLM Cc1cc(S(=O)(=O)Nc2ccc(Sc3nncs3)cc2)sc1C(=O)[O-] ZINC000515837438 1006710136 /nfs/dbraw/zinc/71/01/36/1006710136.db2.gz AXOZDIJXRZTUEM-UHFFFAOYSA-N -1 2 413.527 3.558 20 0 HHADLM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000544098322 1009708437 /nfs/dbraw/zinc/70/84/37/1009708437.db2.gz GNMSVNMXULXRGW-UHFFFAOYSA-N -1 2 419.425 3.674 20 0 HHADLM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1OC[C@H]1CCCCO1 ZINC000521527311 1010440021 /nfs/dbraw/zinc/44/00/21/1010440021.db2.gz NUNFKNYTBSOFNS-CYBMUJFWSA-N -1 2 411.501 3.503 20 0 HHADLM Cc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)c1cc(Br)ccc1F ZINC000548528391 1010657349 /nfs/dbraw/zinc/65/73/49/1010657349.db2.gz BSUUHIBYHDGJHW-UHFFFAOYSA-N -1 2 406.204 3.535 20 0 HHADLM O=C([O-])c1cc2ccccc2cc1NS(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000302970150 971426274 /nfs/dbraw/zinc/42/62/74/971426274.db2.gz NVPDECZZFVJIOB-UHFFFAOYSA-N -1 2 401.831 3.640 20 0 HHADLM COC(=O)c1c(C)cccc1NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000013278785 962382546 /nfs/dbraw/zinc/38/25/46/962382546.db2.gz AIWFHOWFEXNJHS-UHFFFAOYSA-N -1 2 418.254 3.587 20 0 HHADLM COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c(OC)c1 ZINC000013341112 962388964 /nfs/dbraw/zinc/38/89/64/962388964.db2.gz ZLRXYGKYHRXIHE-UHFFFAOYSA-N -1 2 406.243 3.510 20 0 HHADLM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)Nc1ccccc1Oc1ccccc1 ZINC000054294847 965463634 /nfs/dbraw/zinc/46/36/34/965463634.db2.gz CJWBXXYXJRUMJX-UHFFFAOYSA-N -1 2 413.451 3.915 20 0 HHADLM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccccc1NS(=O)(=O)c1ccccc1 ZINC000064478039 967204348 /nfs/dbraw/zinc/20/43/48/967204348.db2.gz QJCGBVRGDVFNGA-UHFFFAOYSA-N -1 2 420.487 3.736 20 0 HHADLM O=C([O-])c1cc(NS(=O)(=O)c2ccc(Cl)nc2Cl)cc(C(F)(F)F)c1 ZINC000110204839 969636846 /nfs/dbraw/zinc/63/68/46/969636846.db2.gz QWWGQQFKJNGLFU-UHFFFAOYSA-N -1 2 415.176 3.906 20 0 HHADLM CCc1cc(Br)ccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000322243565 972698822 /nfs/dbraw/zinc/69/88/22/972698822.db2.gz ORXDZIUZEPPEBS-UHFFFAOYSA-N -1 2 402.241 3.650 20 0 HHADLM O=C([O-])c1cc(S(=O)(=O)Nc2cccc3cc(Br)cnc32)cs1 ZINC000322777256 972703114 /nfs/dbraw/zinc/70/31/14/972703114.db2.gz LJODJNUCYPLRBI-UHFFFAOYSA-N -1 2 413.274 3.558 20 0 HHADLM COc1ccc(Br)cc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000323660601 972713868 /nfs/dbraw/zinc/71/38/68/972713868.db2.gz AOHKZZNNMRHHCR-UHFFFAOYSA-N -1 2 420.668 3.610 20 0 HHADLM O=C([O-])c1cc(Br)cc(S(=O)(=O)Nc2ccc3cc[nH]c3c2)c1F ZINC000432614779 978911854 /nfs/dbraw/zinc/91/18/54/978911854.db2.gz FTIJWFFJSWHECL-UHFFFAOYSA-N -1 2 413.224 3.569 20 0 HHADLM Cc1ccc(S(=O)(=O)[N-]c2cc(S(=O)(=O)Nc3ccccc3)c(F)cc2C)o1 ZINC000432781722 978973153 /nfs/dbraw/zinc/97/31/53/978973153.db2.gz SKXLKVONUVPRCE-UHFFFAOYSA-N -1 2 424.475 3.637 20 0 HHADLM Cc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1cc(C(F)(F)F)ccc1O ZINC000436476088 981393225 /nfs/dbraw/zinc/39/32/25/981393225.db2.gz HWDIWINREDTBFI-UHFFFAOYSA-N -1 2 409.769 3.872 20 0 HHADLM CC[N@@H+]1CC[C@@H](NC(=O)c2cc(NC(C)=O)ccc2O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000436813584 981572829 /nfs/dbraw/zinc/57/28/29/981572829.db2.gz FALVZVHDJPEFKE-UYAOXDASSA-N -1 2 419.884 3.708 20 0 HHADLM O=C([O-])c1ccc(O)c(S(=O)(=O)Nc2ccccc2COCc2ccccc2)c1 ZINC000436996625 981675183 /nfs/dbraw/zinc/67/51/83/981675183.db2.gz UKJVUTGDGZMTDZ-UHFFFAOYSA-N -1 2 413.451 3.608 20 0 HHADLM Cc1cc(C(=O)Nc2cc(Cl)ccc2OCC2CCC2)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000468186986 985870309 /nfs/dbraw/zinc/87/03/09/985870309.db2.gz PGBSQSYUTDGRGS-UHFFFAOYSA-N -1 2 414.849 3.829 20 0 HHADLM Cc1ccccc1COc1cccc(NC(=O)c2cc(C)c3c(=O)[nH]c(=O)nc-3[n-]2)c1 ZINC000468845517 986555711 /nfs/dbraw/zinc/55/57/11/986555711.db2.gz FWGJCCPIJKJHBR-UHFFFAOYSA-N -1 2 416.437 3.884 20 0 HHADLM COc1ccc(S(=O)(=O)Nc2cc(-c3cc(C)c(C)cc3C)n[nH]2)cc1C(=O)[O-] ZINC000444419106 986601109 /nfs/dbraw/zinc/60/11/09/986601109.db2.gz MYNZLKQMBSOEKI-UHFFFAOYSA-N -1 2 415.471 3.510 20 0 HHADLM CC[C@@H](Cc1ccc(NS(=O)(=O)c2c(C)nn(CC(C)C)c2C)cc1)C(=O)[O-] ZINC000463780279 986771088 /nfs/dbraw/zinc/77/10/88/986771088.db2.gz XHQKTJONRNSWPD-KRWDZBQOSA-N -1 2 407.536 3.610 20 0 HHADLM COc1cc(S(=O)(=O)Nc2c(C)noc2-c2ccccc2)c(Cl)cc1C(=O)[O-] ZINC000463800810 986792481 /nfs/dbraw/zinc/79/24/81/986792481.db2.gz RETOKXPQOHOMNL-UHFFFAOYSA-N -1 2 422.846 3.811 20 0 HHADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(Oc2ccc(C)c(C)c2)nc1 ZINC000467752301 992998081 /nfs/dbraw/zinc/99/80/81/992998081.db2.gz FICXKONDIREBSS-UHFFFAOYSA-N -1 2 402.428 3.891 20 0 HHADLM COc1ccc(CCC(=O)[O-])cc1NS(=O)(=O)c1ccccc1C(F)(F)F ZINC000484980082 997344786 /nfs/dbraw/zinc/34/47/86/997344786.db2.gz WZKNWSCJOHBKGP-UHFFFAOYSA-N -1 2 403.378 3.532 20 0 HHADLM O=C([O-])c1ccn(-c2ccccc2NS(=O)(=O)c2ccc(Cl)cc2Cl)n1 ZINC000485388602 997816411 /nfs/dbraw/zinc/81/64/11/997816411.db2.gz JCLUKPILQHBHCN-UHFFFAOYSA-N -1 2 412.254 3.678 20 0 HHADLM Cc1nn(-c2ccccc2)c(C)c1NS(=O)(=O)c1cc(Cl)c(C)c(C(=O)[O-])c1 ZINC000479255437 999349821 /nfs/dbraw/zinc/34/98/21/999349821.db2.gz YZSMUGWXMBFIKA-UHFFFAOYSA-N -1 2 419.890 3.950 20 0 HHADLM O=C([O-])c1ccc(NS(=O)(=O)c2ccc(F)cc2Cl)c(OC(F)(F)F)c1 ZINC000488262686 999415164 /nfs/dbraw/zinc/41/51/64/999415164.db2.gz KTNOOSGDTAIYBH-UHFFFAOYSA-N -1 2 413.732 3.877 20 0 HHADLM O=C([O-])c1ccc(NS(=O)(=O)c2c[nH]c3cccc(F)c32)c(OC(F)(F)F)c1 ZINC000488316733 999437048 /nfs/dbraw/zinc/43/70/48/999437048.db2.gz HLTPMFRHAIXVPE-UHFFFAOYSA-N -1 2 418.324 3.705 20 0 HHADLM CCc1c(NS(=O)(=O)c2csc(C(=O)[O-])c2)cnn1-c1ccc(Cl)cc1 ZINC000480250240 999756317 /nfs/dbraw/zinc/75/63/17/999756317.db2.gz QXCNEANUPIOCGD-UHFFFAOYSA-N -1 2 411.892 3.649 20 0 HHADLM O=C([O-])c1cc(NS(=O)(=O)c2cccnc2C(F)(F)F)cc(Cl)c1Cl ZINC000489410305 999761237 /nfs/dbraw/zinc/76/12/37/999761237.db2.gz RCSMJSBXVJGDIX-UHFFFAOYSA-N -1 2 415.176 3.906 20 0 HHADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2cccc(C(=O)c3ccccc3)c2)c1 ZINC000512776587 1004552737 /nfs/dbraw/zinc/55/27/37/1004552737.db2.gz QGCFTGRWQMEPRF-UHFFFAOYSA-N -1 2 413.426 3.864 20 0 HHADLM Cc1cc(S(=O)(=O)Nc2cn(CC(C)C)nc2C(F)F)cc(C(=O)[O-])c1C ZINC000534901916 1006933414 /nfs/dbraw/zinc/93/34/14/1006933414.db2.gz UXDXCXVMOYHIEZ-UHFFFAOYSA-N -1 2 401.435 3.593 20 0 HHADLM CCCc1c(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cnn1-c1ccccc1 ZINC000543022966 1008604555 /nfs/dbraw/zinc/60/45/55/1008604555.db2.gz QMUPJWCQECSDPK-UHFFFAOYSA-N -1 2 419.890 3.977 20 0 HHADLM Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1ccc(C)cc1SCCC(=O)[O-] ZINC000547865889 1010457160 /nfs/dbraw/zinc/45/71/60/1010457160.db2.gz BZMXIJOVCRGLLU-UHFFFAOYSA-N -1 2 411.549 3.757 20 0 HHADLM COc1cc(OC)c(NS(=O)(=O)c2cccc(Cl)c2Cl)c(C(=O)[O-])c1 ZINC000589939490 1073422873 /nfs/dbraw/zinc/42/28/73/1073422873.db2.gz KKSXNHSNNQZZJX-UHFFFAOYSA-N -1 2 406.243 3.510 20 0 HHADLM CCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1OC ZINC000063180877 966768648 /nfs/dbraw/zinc/76/86/48/966768648.db2.gz TXTIKPYLNRBDQB-UHFFFAOYSA-N -1 2 419.377 3.612 20 0 HHADLM CSc1nc2ccc(NS(=O)(=O)c3cc(C)c(C(=O)[O-])s3)cc2s1 ZINC000045774454 967550153 /nfs/dbraw/zinc/55/01/53/967550153.db2.gz LHGPEMFVDPSKCF-UHFFFAOYSA-N -1 2 400.528 3.887 20 0 HHADLM Cc1ccc(Br)cc1NS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000391094113 972836874 /nfs/dbraw/zinc/83/68/74/972836874.db2.gz QXYUYVVPCHMUNB-UHFFFAOYSA-N -1 2 406.204 3.535 20 0 HHADLM CC(C)c1cnc(-c2ccc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3O)cc2)o1 ZINC000433504898 979342854 /nfs/dbraw/zinc/34/28/54/979342854.db2.gz BKMHWFPUFPZFPS-UHFFFAOYSA-N -1 2 402.428 3.670 20 0 HHADLM CC[N@@H+]1CC[C@@H](NC(=O)c2cc(NC(C)=O)ccc2O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000436813580 981572839 /nfs/dbraw/zinc/57/28/39/981572839.db2.gz FALVZVHDJPEFKE-QUCCMNQESA-N -1 2 419.884 3.708 20 0 HHADLM O=C([O-])c1ccc(O)c(S(=O)(=O)Nc2ccc(COCc3ccccc3)cc2)c1 ZINC000436997669 981676041 /nfs/dbraw/zinc/67/60/41/981676041.db2.gz XBFGCCCFKVXLSR-UHFFFAOYSA-N -1 2 413.451 3.608 20 0 HHADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cc(F)ccc2SCC(F)F)c(F)c1 ZINC000438774720 983062855 /nfs/dbraw/zinc/06/28/55/983062855.db2.gz FPMACZUBKSBERL-UHFFFAOYSA-N -1 2 409.382 3.821 20 0 HHADLM CCCN(CCC)C(=O)c1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1 ZINC000438790965 983072581 /nfs/dbraw/zinc/07/25/81/983072581.db2.gz BBVPMVDCCDIBQN-UHFFFAOYSA-N -1 2 422.478 3.587 20 0 HHADLM CCOc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)c1ccccc1C(F)(F)F ZINC000462104170 985074893 /nfs/dbraw/zinc/07/48/93/985074893.db2.gz QZIXFFPTFLTHBY-UHFFFAOYSA-N -1 2 407.341 3.742 20 0 HHADLM CCc1cccc(Oc2ccc(NC(=O)c3cc(C)c4c(=O)[nH]c(=O)nc-4[n-]3)cn2)c1 ZINC000468396563 986096404 /nfs/dbraw/zinc/09/64/04/986096404.db2.gz WWNXWJMHJLCLOX-UHFFFAOYSA-N -1 2 417.425 3.746 20 0 HHADLM CCc1c(NS(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)cnn1-c1ccccc1 ZINC000466470648 991761672 /nfs/dbraw/zinc/76/16/72/991761672.db2.gz AGQCHQLEQSBJOL-UHFFFAOYSA-N -1 2 419.890 3.896 20 0 HHADLM O=C([O-])c1cc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)cc(Cl)c1Cl ZINC000485061951 997428650 /nfs/dbraw/zinc/42/86/50/997428650.db2.gz AXSORVITOKQCPT-UHFFFAOYSA-N -1 2 412.254 3.678 20 0 HHADLM Cc1c(NS(=O)(=O)c2cc(Br)sc2Cl)cccc1C(=O)[O-] ZINC000485205479 997579771 /nfs/dbraw/zinc/57/97/71/997579771.db2.gz JKJVTQPYBLJVQX-UHFFFAOYSA-N -1 2 410.698 3.971 20 0 HHADLM Cc1cc(Br)c(O)c(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000477340524 998029343 /nfs/dbraw/zinc/02/93/43/998029343.db2.gz UUUBWAFXEQBHJO-UHFFFAOYSA-N -1 2 420.668 3.616 20 0 HHADLM Cc1cc(F)c(S(=O)(=O)Nc2c(C)ccc(Br)c2C(=O)[O-])cc1F ZINC000477524623 998244423 /nfs/dbraw/zinc/24/44/23/998244423.db2.gz WMHTZJWEAFWGPQ-UHFFFAOYSA-N -1 2 420.231 3.843 20 0 HHADLM CC(C)c1c(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cnn1-c1ccccc1 ZINC000486087091 998534663 /nfs/dbraw/zinc/53/46/63/998534663.db2.gz ORPWATGCQKNJBT-UHFFFAOYSA-N -1 2 413.499 3.814 20 0 HHADLM COc1c(C)c[nH+]c(CN(C)C(=O)NCc2ccc(O)c(Br)c2)c1C ZINC000486652078 998876797 /nfs/dbraw/zinc/87/67/97/998876797.db2.gz OAFMUBZTCLQAFG-UHFFFAOYSA-N -1 2 408.296 3.517 20 0 HHADLM O=C([O-])c1ccc(NS(=O)(=O)c2cccc3cccnc32)c(OC(F)(F)F)c1 ZINC000488278649 999421556 /nfs/dbraw/zinc/42/15/56/999421556.db2.gz JNELTNCOTZOHOI-UHFFFAOYSA-N -1 2 412.345 3.632 20 0 HHADLM CCOc1ccc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc1Br ZINC000488354328 999454229 /nfs/dbraw/zinc/45/42/29/999454229.db2.gz JAENWHVAHGGBCI-UHFFFAOYSA-N -1 2 420.306 3.717 20 0 HHADLM C[C@H](Cc1ccc(NS(=O)(=O)c2ccc(Br)cc2F)cc1)C(=O)[O-] ZINC000479572708 999484820 /nfs/dbraw/zinc/48/48/20/999484820.db2.gz GKWXAVAWPHUOON-SNVBAGLBSA-N -1 2 416.268 3.652 20 0 HHADLM CCc1c(NS(=O)(=O)c2cccc(C(=O)[O-])c2C)cnn1-c1ccccc1Cl ZINC000480238112 999753273 /nfs/dbraw/zinc/75/32/73/999753273.db2.gz ACAPVOXWZYYBFQ-UHFFFAOYSA-N -1 2 419.890 3.896 20 0 HHADLM Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000496845183 1001236553 /nfs/dbraw/zinc/23/65/53/1001236553.db2.gz HJBSBJCMFMHHFN-UHFFFAOYSA-N -1 2 415.664 3.899 20 0 HHADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2cccc(Br)c2C)c1 ZINC000512739710 1004530343 /nfs/dbraw/zinc/53/03/43/1004530343.db2.gz VSZUDVAHNHCCTC-UHFFFAOYSA-N -1 2 402.241 3.704 20 0 HHADLM Cc1cc(S(=O)(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)sc1C(=O)[O-] ZINC000514137362 1005284382 /nfs/dbraw/zinc/28/43/82/1005284382.db2.gz XOSXYCDAFNTWGE-UHFFFAOYSA-N -1 2 419.509 3.932 20 0 HHADLM CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(Br)cc1F ZINC000548150389 1010546116 /nfs/dbraw/zinc/54/61/16/1010546116.db2.gz UTVOPXJWDUPPRN-UHFFFAOYSA-N -1 2 402.241 3.650 20 0 HHADLM CC(C)Oc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1c[nH]c2nccc(Cl)c21 ZINC000548259497 1010573440 /nfs/dbraw/zinc/57/34/40/1010573440.db2.gz BEUKMQJORNOHTN-UHFFFAOYSA-N -1 2 409.851 3.503 20 0 HHADLM CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cnn(-c2ccc(Cl)cc2)c1C ZINC000548261075 1010574084 /nfs/dbraw/zinc/57/40/84/1010574084.db2.gz CJLKQUMDFWZFMR-UHFFFAOYSA-N -1 2 419.890 3.896 20 0 HHADLM CCCc1c(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cnn1-c1ccccc1 ZINC000541164566 1011831355 /nfs/dbraw/zinc/83/13/55/1011831355.db2.gz JNNWOTXBNZFQFT-UHFFFAOYSA-N -1 2 405.501 3.694 20 0 HHADLM Cc1c(NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)cnn1-c1ccccc1F ZINC000479415917 1072814864 /nfs/dbraw/zinc/81/48/64/1072814864.db2.gz XPVHDRMHJAKWLD-UHFFFAOYSA-N -1 2 423.853 3.781 20 0 HHADLM O=C([O-])c1ccc(Oc2ccccc2)c(NS(=O)(=O)c2c[nH]c3ncccc23)c1 ZINC000110690187 969707245 /nfs/dbraw/zinc/70/72/45/969707245.db2.gz SIZUYJRIRXONEU-UHFFFAOYSA-N -1 2 409.423 3.854 20 0 HHADLM CCOc1cc(C)ccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1Br ZINC000324399923 972722081 /nfs/dbraw/zinc/72/20/81/972722081.db2.gz SEEOMBOTYDZYAG-UHFFFAOYSA-N -1 2 414.277 3.655 20 0 HHADLM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cccc3cccnc32)c1Br ZINC000327894201 972763789 /nfs/dbraw/zinc/76/37/89/972763789.db2.gz QRKMCLHCSPRBHW-UHFFFAOYSA-N -1 2 421.272 3.805 20 0 HHADLM Cc1cc(C(=O)Nc2ccc(C(C)(C)C(F)(F)F)cc2)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000429224769 976517740 /nfs/dbraw/zinc/51/77/40/976517740.db2.gz BVWYEXLLHOBOIP-UHFFFAOYSA-N -1 2 406.364 3.837 20 0 HHADLM COc1cc(S(=O)(=O)Nc2cc(C(C)(C)C)ccc2O)c(Cl)cc1C(=O)[O-] ZINC000433807479 979589951 /nfs/dbraw/zinc/58/99/51/979589951.db2.gz HNBAMAWRYKSTEI-UHFFFAOYSA-N -1 2 413.879 3.851 20 0 HHADLM CC(C)Oc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cnc2ccc(F)cc2c1 ZINC000436479958 981394427 /nfs/dbraw/zinc/39/44/27/981394427.db2.gz YASPTISDHXYMJW-UHFFFAOYSA-N -1 2 404.419 3.660 20 0 HHADLM CCOc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)c1ccc(-c2coc(C)n2)cc1 ZINC000462100146 985071031 /nfs/dbraw/zinc/07/10/31/985071031.db2.gz GNVIEMAGBFHRTE-UHFFFAOYSA-N -1 2 420.418 3.687 20 0 HHADLM COc1cc(S(=O)(=O)Nc2ccc(C(C)(C)C)cc2O)c(Cl)cc1C(=O)[O-] ZINC000443533099 985704098 /nfs/dbraw/zinc/70/40/98/985704098.db2.gz UJKWAVJTVGYXPM-UHFFFAOYSA-N -1 2 413.879 3.851 20 0 HHADLM Cc1cc(C(=O)Nc2ccc(-c3cnc(C4CC4)o3)cc2)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000468538340 986244520 /nfs/dbraw/zinc/24/45/20/986244520.db2.gz VUAWZLPREDKELO-UHFFFAOYSA-N -1 2 403.398 3.529 20 0 HHADLM CCOc1cc(Cl)ccc1NS(=O)(=O)c1cc(OC)c(C(=O)[O-])cc1Cl ZINC000468838237 986549077 /nfs/dbraw/zinc/54/90/77/986549077.db2.gz FGDUZBPSLNLNNN-UHFFFAOYSA-N -1 2 420.270 3.900 20 0 HHADLM Cc1ccc(-n2nc(C(C)C)cc2NC(=O)c2cc(C)c3c(=O)[nH]c(=O)nc-3[n-]2)cc1 ZINC000469670610 987327778 /nfs/dbraw/zinc/32/77/78/987327778.db2.gz FGUYJIOEVYUEKR-UHFFFAOYSA-N -1 2 418.457 3.614 20 0 HHADLM COc1cc(C(=O)[O-])cc(NS(=O)(=O)c2cccc(Cl)c2Cl)c1OC ZINC000467319831 992641716 /nfs/dbraw/zinc/64/17/16/992641716.db2.gz OGNIUTXQMICNDA-UHFFFAOYSA-N -1 2 406.243 3.510 20 0 HHADLM CCN(CC)C(=O)c1ccc(S(=O)(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)cc1 ZINC000481874226 994738785 /nfs/dbraw/zinc/73/87/85/994738785.db2.gz YHCPDTHCHMVGMB-UHFFFAOYSA-N -1 2 423.966 3.684 20 0 HHADLM CCCOc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccccc1OC(F)F ZINC000484972179 997341869 /nfs/dbraw/zinc/34/18/69/997341869.db2.gz CHGFBNRNFCVKTR-UHFFFAOYSA-N -1 2 401.387 3.576 20 0 HHADLM COc1cc(S(=O)(=O)Nc2c(C)cccc2OC(F)F)c(Cl)cc1C(=O)[O-] ZINC000485268600 997663147 /nfs/dbraw/zinc/66/31/47/997663147.db2.gz RMLQYOVYMVKGEO-UHFFFAOYSA-N -1 2 421.805 3.757 20 0 HHADLM CC(C)Oc1ccccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1OC(F)(F)F ZINC000486081387 998528445 /nfs/dbraw/zinc/52/84/45/998528445.db2.gz ULEZRFNITPIUNS-UHFFFAOYSA-N -1 2 419.377 3.871 20 0 HHADLM CCCCn1ncc(NS(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)c1C(C)C ZINC000480202687 999743979 /nfs/dbraw/zinc/74/39/79/999743979.db2.gz TWFMAYSXCXWWPC-UHFFFAOYSA-N -1 2 405.520 3.794 20 0 HHADLM CCc1c(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cnn1-c1cccc(C)c1 ZINC000480234813 999752929 /nfs/dbraw/zinc/75/29/29/999752929.db2.gz WKFYATKJNSWWQA-UHFFFAOYSA-N -1 2 413.499 3.561 20 0 HHADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)c(Cl)c1 ZINC000489697435 999819589 /nfs/dbraw/zinc/81/95/89/999819589.db2.gz QSGHQLQYRDOIPZ-HNNXBMFYSA-N -1 2 421.862 3.567 20 0 HHADLM C[C@@H](Sc1ccc(NS(=O)(=O)c2cnc(-c3ccccc3)nc2)cc1)C(=O)[O-] ZINC000507579746 1002184164 /nfs/dbraw/zinc/18/41/64/1002184164.db2.gz ACVUPYGGVRVPHH-CYBMUJFWSA-N -1 2 415.496 3.510 20 0 HHADLM Cc1c(S(=O)(=O)Nc2cc(C)cc(C(=O)[O-])c2)cnn1-c1ccc(Cl)cc1 ZINC000507581083 1002186230 /nfs/dbraw/zinc/18/62/30/1002186230.db2.gz FPWHWCCHKHFURO-UHFFFAOYSA-N -1 2 405.863 3.642 20 0 HHADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2ccc(C)c(OCC(F)F)c2)c1 ZINC000512734527 1004525826 /nfs/dbraw/zinc/52/58/26/1004525826.db2.gz RWIYNDDNFDXFRE-UHFFFAOYSA-N -1 2 403.378 3.585 20 0 HHADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2cccc(OCC(F)(F)F)c2)c1 ZINC000512757647 1004540762 /nfs/dbraw/zinc/54/07/62/1004540762.db2.gz OIVDHFBRYNDDDH-UHFFFAOYSA-N -1 2 407.341 3.574 20 0 HHADLM Cc1cc(NS(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)nn1[C@@H](C)C1CC1 ZINC000543162923 1008737772 /nfs/dbraw/zinc/73/77/72/1008737772.db2.gz ZPFOCOUUQVEAIF-HNNXBMFYSA-N -1 2 405.520 3.516 20 0 HHADLM Cc1c(C(=O)Nc2nc(-c3ccc(Br)cc3)n[nH]2)oc2c1C(=O)CCC2 ZINC000521075374 1010091987 /nfs/dbraw/zinc/09/19/87/1010091987.db2.gz JEDRJWZIWDYKOB-UHFFFAOYSA-N -1 2 415.247 3.907 20 0 HHADLM Cc1cc(C)c(C(=O)[O-])cc1NS(=O)(=O)c1cc(F)c(Br)cc1F ZINC000547549247 1010346717 /nfs/dbraw/zinc/34/67/17/1010346717.db2.gz XLGJUFMLGJMVCW-UHFFFAOYSA-N -1 2 420.231 3.843 20 0 HHADLM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(OC(F)F)c2cccnc12 ZINC000548150172 1010545849 /nfs/dbraw/zinc/54/58/49/1010545849.db2.gz BZDRJROPOKEIMT-UHFFFAOYSA-N -1 2 414.411 3.705 20 0 HHADLM CCc1ccc(S(=O)(=O)Nc2ccc(Cc3nc(C(=O)[O-])cs3)cc2)s1 ZINC000541303784 1012007286 /nfs/dbraw/zinc/00/72/86/1012007286.db2.gz IOBOGORVMVZJHY-UHFFFAOYSA-N -1 2 408.526 3.857 20 0 HHADLM O=C([O-])CCCc1ccccc1NS(=O)(=O)c1cc(Br)ccc1F ZINC000541929962 1012790802 /nfs/dbraw/zinc/79/08/02/1012790802.db2.gz AWRJYEJBPOHQQP-UHFFFAOYSA-N -1 2 416.268 3.796 20 0 HHADLM Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1c(Cl)cccc1Br ZINC000319020020 972667777 /nfs/dbraw/zinc/66/77/77/972667777.db2.gz QSVZUDMEHDXIJI-UHFFFAOYSA-N -1 2 404.669 3.910 20 0 HHADLM Cc1ccc(F)cc1NS(=O)(=O)c1cc(Br)cc(C(=O)[O-])c1F ZINC000320192601 972677940 /nfs/dbraw/zinc/67/79/40/972677940.db2.gz QDLJMAGJSXWVBD-UHFFFAOYSA-N -1 2 406.204 3.535 20 0 HHADLM CC(C)Oc1c(NS(=O)(=O)c2ccccc2OC(F)F)cccc1C(=O)[O-] ZINC000410400857 974000324 /nfs/dbraw/zinc/00/03/24/974000324.db2.gz JWTICJFBQWXVTH-UHFFFAOYSA-N -1 2 401.387 3.574 20 0 HHADLM O=C([O-])c1c[nH]c2cc(NS(=O)(=O)c3cccc(OC(F)(F)F)c3F)ccc12 ZINC000427196317 974970988 /nfs/dbraw/zinc/97/09/88/974970988.db2.gz FTKIQKKVIDOSEL-UHFFFAOYSA-N -1 2 418.324 3.705 20 0 HHADLM C[C@@H](Cc1ccc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2F)cc1)C(=O)[O-] ZINC000427343549 975066097 /nfs/dbraw/zinc/06/60/97/975066097.db2.gz CDQNZQMUIDOJSD-JTQLQIEISA-N -1 2 421.368 3.788 20 0 HHADLM Cc1c(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C(C)C)cnn1-c1ccccc1F ZINC000435147861 980679172 /nfs/dbraw/zinc/67/91/72/980679172.db2.gz ZUTWMQMPJCQSBV-UHFFFAOYSA-N -1 2 417.462 3.942 20 0 HHADLM O=C(Nc1cccc(-c2n[nH]c(=O)[nH]2)c1)c1cc(Cl)cc(Br)c1[O-] ZINC000436641059 981489006 /nfs/dbraw/zinc/48/90/06/981489006.db2.gz LFHFHVQQILVLJU-UHFFFAOYSA-N -1 2 409.627 3.551 20 0 HHADLM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)Nc1cccnc1-c1ccc(C)s1 ZINC000437675183 982289595 /nfs/dbraw/zinc/28/95/95/982289595.db2.gz PTAUNOHKSJAINA-UHFFFAOYSA-N -1 2 418.496 3.555 20 0 HHADLM CC(C)c1cccc(C(=O)[O-])c1NS(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC000460827490 982578894 /nfs/dbraw/zinc/57/88/94/982578894.db2.gz BPWNFMSPBQZXBY-UHFFFAOYSA-N -1 2 403.435 3.634 20 0 HHADLM Cc1c(NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)cccc1OCC(F)(F)F ZINC000438771413 983060683 /nfs/dbraw/zinc/06/06/83/983060683.db2.gz KTNIHTHMQITWLB-UHFFFAOYSA-N -1 2 407.341 3.574 20 0 HHADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccccc2NC(=O)c2ccccc2)c(F)c1 ZINC000438803936 983080639 /nfs/dbraw/zinc/08/06/39/983080639.db2.gz HNLFUEOBUICEGB-UHFFFAOYSA-N -1 2 414.414 3.577 20 0 HHADLM CCCNc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000469253909 986972661 /nfs/dbraw/zinc/97/26/61/986972661.db2.gz VRVPEVXEXKPQBM-UHFFFAOYSA-N -1 2 406.382 3.928 20 0 HHADLM COC(=O)c1ccc(C(C)C)c(NS(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)c1 ZINC000466474251 991766143 /nfs/dbraw/zinc/76/61/43/991766143.db2.gz ODIGITSREXAJIX-UHFFFAOYSA-N -1 2 409.435 3.543 20 0 HHADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2cc(Br)c(F)cc2C)c1 ZINC000473414316 994266453 /nfs/dbraw/zinc/26/64/53/994266453.db2.gz SXATULIVUBWBRI-UHFFFAOYSA-N -1 2 420.231 3.843 20 0 HHADLM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1csc(C)n1 ZINC000475835912 996403834 /nfs/dbraw/zinc/40/38/34/996403834.db2.gz RUIHKFBIMULHCN-UHFFFAOYSA-N -1 2 418.496 3.555 20 0 HHADLM Cc1cc(F)c(S(=O)(=O)Nc2ccc(Br)c(C(=O)[O-])c2)cc1F ZINC000484940736 997316900 /nfs/dbraw/zinc/31/69/00/997316900.db2.gz XNLPGEXIHLLLKO-UHFFFAOYSA-N -1 2 406.204 3.535 20 0 HHADLM COc1cc(S(=O)(=O)Nc2cccc(Cl)c2OC)c(Cl)cc1C(=O)[O-] ZINC000485290322 997690436 /nfs/dbraw/zinc/69/04/36/997690436.db2.gz PKKCVCOJUKANAS-UHFFFAOYSA-N -1 2 406.243 3.510 20 0 HHADLM Cn1ccc2cccc(NS(=O)(=O)c3ccc(C(=O)[O-])cc3OC(F)(F)F)c21 ZINC000486092031 998539951 /nfs/dbraw/zinc/53/99/51/998539951.db2.gz HCNPGWNIYQEOOG-UHFFFAOYSA-N -1 2 414.361 3.576 20 0 HHADLM Cc1c(NS(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)cnn1-c1ccccc1 ZINC000479273662 999358881 /nfs/dbraw/zinc/35/88/81/999358881.db2.gz FOJDDKLRQJAMMC-UHFFFAOYSA-N -1 2 405.863 3.642 20 0 HHADLM Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)Nc1cnc(-c2ccccc2)nc1 ZINC000479334244 999390388 /nfs/dbraw/zinc/39/03/88/999390388.db2.gz LIGHIUBAVADFQM-UHFFFAOYSA-N -1 2 403.847 3.604 20 0 HHADLM O=C([O-])c1ccc(NS(=O)(=O)c2cccnc2C(F)(F)F)cc1C(F)(F)F ZINC000489306720 999742075 /nfs/dbraw/zinc/74/20/75/999742075.db2.gz VCAVZHCYEDXWOE-UHFFFAOYSA-N -1 2 414.283 3.618 20 0 HHADLM Cc1ccc(-n2ncc(NS(=O)(=O)c3ccc(C(=O)[O-])c(F)c3)c2C(C)C)cc1 ZINC000480200942 999743299 /nfs/dbraw/zinc/74/32/99/999743299.db2.gz QOOUZPKZXIFZIH-UHFFFAOYSA-N -1 2 417.462 3.942 20 0 HHADLM CCc1c(NS(=O)(=O)c2cccc(C(=O)[O-])c2)cnn1-c1ccccc1Cl ZINC000480230144 999751258 /nfs/dbraw/zinc/75/12/58/999751258.db2.gz USDNVULMUWHGIV-UHFFFAOYSA-N -1 2 405.863 3.587 20 0 HHADLM Cc1cc(S(=O)(=O)Nc2ccc(NC(=O)c3ccco3)c(C)c2)sc1C(=O)[O-] ZINC000497554460 1001433022 /nfs/dbraw/zinc/43/30/22/1001433022.db2.gz DGTZZCXKVUTHRE-UHFFFAOYSA-N -1 2 420.468 3.709 20 0 HHADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2cccc(OCc3cccnc3)c2)c1 ZINC000512726632 1004521122 /nfs/dbraw/zinc/52/11/22/1004521122.db2.gz ZLWKNKBVYYFHMN-UHFFFAOYSA-N -1 2 416.430 3.607 20 0 HHADLM CCCc1c(NS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cnn1-c1cccc(F)c1 ZINC000544096966 1009706488 /nfs/dbraw/zinc/70/64/88/1009706488.db2.gz UPPNAQWYWUTSIH-UHFFFAOYSA-N -1 2 421.425 3.602 20 0 HHADLM Cc1cc(C)c(S(=O)(=O)Nc2csc(-c3ccccn3)n2)c(C)c1CC(=O)[O-] ZINC000544647079 1010272247 /nfs/dbraw/zinc/27/22/47/1010272247.db2.gz FFKJUEYXQRQXLF-UHFFFAOYSA-N -1 2 417.512 3.558 20 0 HHADLM Cc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)c1cc(F)c(Br)cc1F ZINC000547547934 1010346813 /nfs/dbraw/zinc/34/68/13/1010346813.db2.gz AISAMTGMOJZAKS-UHFFFAOYSA-N -1 2 424.194 3.674 20 0 HHADLM Cc1c(Br)cc(NS(=O)(=O)c2cc(F)ccc2F)cc1C(=O)[O-] ZINC000551114784 1010378909 /nfs/dbraw/zinc/37/89/09/1010378909.db2.gz FQHMERKSMUESKL-UHFFFAOYSA-N -1 2 406.204 3.535 20 0 HHADLM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1OC[C@@H]1CCCCO1 ZINC000521527312 1010440189 /nfs/dbraw/zinc/44/01/89/1010440189.db2.gz NUNFKNYTBSOFNS-ZDUSSCGKSA-N -1 2 411.501 3.503 20 0 HHADLM Cc1cc(C(=O)Nc2ccccc2N2CCc3ccccc32)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000303858414 972399539 /nfs/dbraw/zinc/39/95/39/972399539.db2.gz STWULMFNINRJCU-UHFFFAOYSA-N -1 2 413.437 3.691 20 0 HHADLM CCOc1cc2c(cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl)O[C@@H](C)C2 ZINC000022244861 963616477 /nfs/dbraw/zinc/61/64/77/963616477.db2.gz IMTKMJWBSDAUEJ-JTQLQIEISA-N -1 2 411.863 3.561 20 0 HHADLM CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1ccccc1OC(F)(F)F ZINC000055289353 965806687 /nfs/dbraw/zinc/80/66/87/965806687.db2.gz ZTNXGSQARVNDMK-UHFFFAOYSA-N -1 2 407.391 3.806 20 0 HHADLM Cc1cc(S(=O)(=O)Nc2cccc(COCc3ccco3)c2)sc1C(=O)[O-] ZINC000055633064 965978134 /nfs/dbraw/zinc/97/81/34/965978134.db2.gz PPXKVENHVBSIJL-UHFFFAOYSA-N -1 2 407.469 3.865 20 0 HHADLM CCOc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2OC)c(C(F)(F)F)c1 ZINC000064375034 967160171 /nfs/dbraw/zinc/16/01/71/967160171.db2.gz DZRLRQDQZLTOQC-UHFFFAOYSA-N -1 2 419.377 3.612 20 0 HHADLM Cc1cc(S(=O)(=O)Nc2cccc(OCc3cscn3)c2)sc1C(=O)[O-] ZINC000110017726 969610018 /nfs/dbraw/zinc/61/00/18/969610018.db2.gz NMZJIDGQUPDNIG-UHFFFAOYSA-N -1 2 410.498 3.591 20 0 HHADLM O=C([O-])c1cc(S(=O)(=O)Nc2cc(F)cc(Cl)c2)c(Br)s1 ZINC000217552575 970085131 /nfs/dbraw/zinc/08/51/31/970085131.db2.gz LRSACKKGLPKZNR-UHFFFAOYSA-N -1 2 414.661 3.802 20 0 HHADLM Cc1cccc(C(=O)[O-])c1NS(=O)(=O)c1c(Cl)cccc1Br ZINC000318748984 972665289 /nfs/dbraw/zinc/66/52/89/972665289.db2.gz ALVGQFPOIIPGHV-UHFFFAOYSA-N -1 2 404.669 3.910 20 0 HHADLM Cc1cc(Br)cc(C)c1NS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000325830211 972735619 /nfs/dbraw/zinc/73/56/19/972735619.db2.gz PFUWLYIXHVCEBI-UHFFFAOYSA-N -1 2 420.231 3.843 20 0 HHADLM CSc1ccccc1NS(=O)(=O)c1cc(Br)cc(C(=O)[O-])c1F ZINC000390312435 972821916 /nfs/dbraw/zinc/82/19/16/972821916.db2.gz NVFPBOGHBFBHDP-UHFFFAOYSA-N -1 2 420.281 3.809 20 0 HHADLM O=C([O-])c1cc(NS(=O)(=O)c2cnc(-c3ccccc3)nc2)cc(C(F)(F)F)c1 ZINC000436010631 981153036 /nfs/dbraw/zinc/15/30/36/981153036.db2.gz YRGDAJXQHKMMTF-UHFFFAOYSA-N -1 2 423.372 3.661 20 0 HHADLM Cc1ccc(F)c(-c2cc(NS(=O)(=O)c3ccc(C)c(C(=O)[O-])c3C)n[nH]2)c1 ZINC000436157000 981225938 /nfs/dbraw/zinc/22/59/38/981225938.db2.gz ASKMIUIYAKLKQQ-UHFFFAOYSA-N -1 2 403.435 3.640 20 0 HHADLM O=C([O-])c1ccc(O)c(S(=O)(=O)Nc2ccc3nc(Cc4ccccc4)oc3c2)c1 ZINC000436740033 981539553 /nfs/dbraw/zinc/53/95/53/981539553.db2.gz QDRYVEDNZSEDEN-UHFFFAOYSA-N -1 2 424.434 3.623 20 0 HHADLM Cc1c(S(=O)(=O)Nc2cccc(C(=O)[O-])c2C)cnn1-c1ccc(Cl)cc1 ZINC000460823054 982575243 /nfs/dbraw/zinc/57/52/43/982575243.db2.gz IVRYYNCUSJYBFF-UHFFFAOYSA-N -1 2 405.863 3.642 20 0 HHADLM Cc1c(S(=O)(=O)Nc2cccc(C)c2C(=O)[O-])cnn1-c1ccc(Cl)cc1 ZINC000460828159 982578631 /nfs/dbraw/zinc/57/86/31/982578631.db2.gz AHXHNURGVSOFCO-UHFFFAOYSA-N -1 2 405.863 3.642 20 0 HHADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)c(F)c1 ZINC000438816023 983090090 /nfs/dbraw/zinc/09/00/90/983090090.db2.gz VHSBBWNMSBEROW-UHFFFAOYSA-N -1 2 406.366 3.651 20 0 HHADLM Cc1cc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000462083756 985055075 /nfs/dbraw/zinc/05/50/75/985055075.db2.gz IYWJILYVXIWSDF-UHFFFAOYSA-N -1 2 412.409 3.540 20 0 HHADLM COc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000462098314 985069430 /nfs/dbraw/zinc/06/94/30/985069430.db2.gz OJWKWANADDVOSR-UHFFFAOYSA-N -1 2 409.769 3.866 20 0 HHADLM Cc1ccc(Br)c(C(=O)[O-])c1NS(=O)(=O)c1cc(F)ccc1F ZINC000463375706 986342231 /nfs/dbraw/zinc/34/22/31/986342231.db2.gz HZRZYYVXQVFPHR-UHFFFAOYSA-N -1 2 406.204 3.535 20 0 HHADLM Cc1cc(OCc2ccccc2)ccc1NC(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[n-]1 ZINC000469551486 987222737 /nfs/dbraw/zinc/22/27/37/987222737.db2.gz HMWFIEMNEDTQKP-UHFFFAOYSA-N -1 2 416.437 3.884 20 0 HHADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1 ZINC000467744014 992992468 /nfs/dbraw/zinc/99/24/68/992992468.db2.gz FKQYLKZKHQCCTP-UHFFFAOYSA-N -1 2 408.819 3.928 20 0 HHADLM COc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000484577580 996911438 /nfs/dbraw/zinc/91/14/38/996911438.db2.gz ULWSSQSRKBKOHQ-UHFFFAOYSA-N -1 2 409.769 3.866 20 0 HHADLM Cc1c(NS(=O)(=O)c2cc(Br)c(F)cc2F)cccc1C(=O)[O-] ZINC000485048264 997414016 /nfs/dbraw/zinc/41/40/16/997414016.db2.gz JCEZPNNJGAZWDE-UHFFFAOYSA-N -1 2 406.204 3.535 20 0 HHADLM CCc1c(NS(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)cnn1C(CC)CC ZINC000480199518 999743059 /nfs/dbraw/zinc/74/30/59/999743059.db2.gz LLEXBQPWSXLCCO-UHFFFAOYSA-N -1 2 405.520 3.794 20 0 HHADLM CCc1c(NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cnn1-c1ccccc1C ZINC000480230923 999751554 /nfs/dbraw/zinc/75/15/54/999751554.db2.gz VRVIYXCIJPNPBE-UHFFFAOYSA-N -1 2 419.890 3.896 20 0 HHADLM O=C([O-])c1cc(Br)cc(S(=O)(=O)Nc2ccc3[nH]ccc3c2)c1F ZINC000497961098 1001580528 /nfs/dbraw/zinc/58/05/28/1001580528.db2.gz XRISMYSLNWQLTO-UHFFFAOYSA-N -1 2 413.224 3.569 20 0 HHADLM CC(C)(C)c1cc(CS(=O)(=O)Nc2ccc(C(=O)[O-])cc2OC(F)(F)F)no1 ZINC000507893361 1002426364 /nfs/dbraw/zinc/42/63/64/1002426364.db2.gz MIFXVYJGBXTLMH-UHFFFAOYSA-N -1 2 422.381 3.511 20 0 HHADLM O=C([O-])c1cc(NS(=O)(=O)c2cc(Br)ccc2F)ccc1Cl ZINC000500326465 1003626182 /nfs/dbraw/zinc/62/61/82/1003626182.db2.gz JBGMSPOLXGXLQM-UHFFFAOYSA-N -1 2 408.632 3.741 20 0 HHADLM COc1cc(S(=O)(=O)Nc2ccc(C(F)(F)F)nc2C)c(Cl)cc1C(=O)[O-] ZINC000509383028 1003812481 /nfs/dbraw/zinc/81/24/81/1003812481.db2.gz GVGYCVVWBUNJOC-UHFFFAOYSA-N -1 2 424.784 3.570 20 0 HHADLM CCCC(=O)Nc1cccc(NS(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)c1C ZINC000512726027 1004520437 /nfs/dbraw/zinc/52/04/37/1004520437.db2.gz SGWKHULUSHXIHF-UHFFFAOYSA-N -1 2 408.451 3.680 20 0 HHADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2ccnc(Sc3ccccn3)c2)c1 ZINC000512730113 1004523784 /nfs/dbraw/zinc/52/37/84/1004523784.db2.gz ORCDOTKDQNERNT-UHFFFAOYSA-N -1 2 419.459 3.574 20 0 HHADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2cc(Br)ccc2C)c1 ZINC000512790227 1004561156 /nfs/dbraw/zinc/56/11/56/1004561156.db2.gz JBBTTXJARIZQHN-UHFFFAOYSA-N -1 2 402.241 3.704 20 0 HHADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccc3nc(-c4cccc(F)c4)[nH]c3c2)cs1 ZINC000511734635 1005298505 /nfs/dbraw/zinc/29/85/05/1005298505.db2.gz NOGXWKWYUDOEKC-UHFFFAOYSA-N -1 2 417.443 3.930 20 0 HHADLM Cc1cc(S(=O)(=O)Nc2cccc(C[S@@](=O)C(C)(C)C)c2)sc1C(=O)[O-] ZINC000522528479 1011064600 /nfs/dbraw/zinc/06/46/00/1011064600.db2.gz BOEPEZNCDNDYMP-RUZDIDTESA-N -1 2 415.558 3.603 20 0 HHADLM Cc1cc(S(=O)(=O)Nc2ccc(-n3ncc4ccccc43)cc2)sc1C(=O)[O-] ZINC000537197813 1012616167 /nfs/dbraw/zinc/61/61/67/1012616167.db2.gz FEHRCRRNPAGUPT-UHFFFAOYSA-N -1 2 413.480 3.894 20 0 HHADLM O=C([O-])c1cc(S(=O)(=O)Nc2cccnc2OCc2ccccc2)ccc1Cl ZINC000729664563 1071778757 /nfs/dbraw/zinc/77/87/57/1071778757.db2.gz OCWSKGXJNUOXLE-UHFFFAOYSA-N -1 2 418.858 3.813 20 0 HHADLM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)cc1-n1cccc1 ZINC000591045998 1074090786 /nfs/dbraw/zinc/09/07/86/1074090786.db2.gz ZJFZFTSKRWFSMS-UHFFFAOYSA-N -1 2 420.874 3.567 20 0 HHADLM Cc1nc(-c2ccc(N3CC[NH+](Cc4ccc(Cl)s4)CC3)nc2)[nH]c(=O)c1C ZINC000301197231 970801936 /nfs/dbraw/zinc/80/19/36/970801936.db2.gz ZPPYCRVTTPXTDX-UHFFFAOYSA-N -1 2 415.950 3.898 20 0 HHADLM Cc1cc(C(=O)Nc2ccc3nc(C(F)F)sc3c2)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000553656226 1013525681 /nfs/dbraw/zinc/52/56/81/1013525681.db2.gz KOFWRORGMWCFEZ-UHFFFAOYSA-N -1 2 403.370 3.544 20 0 HHADLM O=C([O-])c1cc(NS(=O)(=O)c2cccc(Cl)c2F)ccc1Br ZINC000316666700 972650585 /nfs/dbraw/zinc/65/05/85/972650585.db2.gz URSZANHFUVDDBB-UHFFFAOYSA-N -1 2 408.632 3.741 20 0 HHADLM O=C([O-])c1cc(F)ccc1NS(=O)(=O)c1c(Cl)cccc1Br ZINC000318995768 972667808 /nfs/dbraw/zinc/66/78/08/972667808.db2.gz LPTYQVOSYVSFRY-UHFFFAOYSA-N -1 2 408.632 3.741 20 0 HHADLM Cc1cc(F)cc(NS(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2F)c1 ZINC000322038715 972696090 /nfs/dbraw/zinc/69/60/90/972696090.db2.gz WNWNLCLPJBLLEZ-UHFFFAOYSA-N -1 2 406.204 3.535 20 0 HHADLM C[C@@H](Cc1ccc(NS(=O)(=O)c2cccc(Br)c2F)cc1)C(=O)[O-] ZINC000410399556 973999828 /nfs/dbraw/zinc/99/98/28/973999828.db2.gz PQEPQJXZIIQMLJ-JTQLQIEISA-N -1 2 416.268 3.652 20 0 HHADLM O=C(Nc1cccc(Cl)c1O)[C@H]1CC[C@@H](C(=O)Nc2cccc(Cl)c2[O-])O1 ZINC000427633445 975217779 /nfs/dbraw/zinc/21/77/79/975217779.db2.gz JHFAXDNNOIEFJI-OKILXGFUSA-N -1 2 411.241 3.529 20 0 HHADLM O=C(Nc1cccc(Cl)c1[O-])[C@H]1CC[C@@H](C(=O)Nc2cccc(Cl)c2O)O1 ZINC000427633445 975217785 /nfs/dbraw/zinc/21/77/85/975217785.db2.gz JHFAXDNNOIEFJI-OKILXGFUSA-N -1 2 411.241 3.529 20 0 HHADLM Cc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)c(OCC(F)(F)F)c1 ZINC000438791287 983072806 /nfs/dbraw/zinc/07/28/06/983072806.db2.gz FVYUWXXUAKCYRD-UHFFFAOYSA-N -1 2 407.341 3.574 20 0 HHADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cccc(NC(=O)c3ccccc3)c2)c(F)c1 ZINC000438810077 983085096 /nfs/dbraw/zinc/08/50/96/983085096.db2.gz WZFBWFJSXJITEP-UHFFFAOYSA-N -1 2 414.414 3.577 20 0 HHADLM CC(C)Oc1c(NS(=O)(=O)c2cccc3c2OC(C)(C)C3)cccc1C(=O)[O-] ZINC000443408209 985563749 /nfs/dbraw/zinc/56/37/49/985563749.db2.gz KCZVEKOQFAEBAQ-UHFFFAOYSA-N -1 2 405.472 3.686 20 0 HHADLM Cc1csc(Nc2ccc(NC(=O)c3cc(C)c4c(=O)[nH]c(=O)nc-4[n-]3)cc2)n1 ZINC000469359943 987059850 /nfs/dbraw/zinc/05/98/50/987059850.db2.gz UYXKDOXRDKIGFJ-UHFFFAOYSA-N -1 2 408.443 3.505 20 0 HHADLM Cc1cc(=O)[nH]c([C@H](C)Sc2nnc(C[NH+]3CCCC3)n2Cc2ccccc2)n1 ZINC000469806027 987446308 /nfs/dbraw/zinc/44/63/08/987446308.db2.gz IFLCWYJGPYJRAU-INIZCTEOSA-N -1 2 410.547 3.580 20 0 HHADLM Cc1cccc(COc2cccc(NC(=O)c3cc(C)c4c(=O)[nH]c(=O)nc-4[n-]3)c2)c1 ZINC000469986187 987602234 /nfs/dbraw/zinc/60/22/34/987602234.db2.gz VHTIQRYQVPXJCQ-UHFFFAOYSA-N -1 2 416.437 3.884 20 0 HHADLM O=C([O-])c1cc(S(=O)(=O)Nc2cnn(-c3ccc(Cl)cc3Cl)c2)cs1 ZINC000473432703 994283910 /nfs/dbraw/zinc/28/39/10/994283910.db2.gz GDZPZOVPWQTSOJ-UHFFFAOYSA-N -1 2 418.283 3.740 20 0 HHADLM Cc1cc(S(=O)(=O)Nc2ccc(OCc3ccccn3)c(F)c2)sc1C(=O)[O-] ZINC000476385661 996829329 /nfs/dbraw/zinc/82/93/29/996829329.db2.gz AQEMTAYUBMHPLS-UHFFFAOYSA-N -1 2 422.459 3.669 20 0 HHADLM CCc1ccc(S(=O)(=O)Nc2c(C)ccc(Br)c2C(=O)[O-])s1 ZINC000484930121 997305347 /nfs/dbraw/zinc/30/53/47/997305347.db2.gz XTOGTDWEOYVKKW-UHFFFAOYSA-N -1 2 404.307 3.880 20 0 HHADLM Cc1cnc2c(cccc2S(=O)(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)c1 ZINC000484988547 997350160 /nfs/dbraw/zinc/35/01/60/997350160.db2.gz RTOUVDRDZQMIAG-UHFFFAOYSA-N -1 2 400.456 3.829 20 0 HHADLM Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)Nc1cc(F)ccc1OC(F)F ZINC000479448558 999422555 /nfs/dbraw/zinc/42/25/55/999422555.db2.gz CLOWIEWSDDGSKW-UHFFFAOYSA-N -1 2 409.769 3.888 20 0 HHADLM Cc1cc(NS(=O)(=O)c2cc(F)c(Br)cc2F)cc(C(=O)[O-])c1 ZINC000507651083 1002250945 /nfs/dbraw/zinc/25/09/45/1002250945.db2.gz RLRZDEYTXZFETR-UHFFFAOYSA-N -1 2 406.204 3.535 20 0 HHADLM Cc1nn(-c2ccccc2)cc1NS(=O)(=O)c1cc(C(=O)[O-])cc2c1CCCC2 ZINC000510087715 1004314224 /nfs/dbraw/zinc/31/42/24/1004314224.db2.gz TUHASQGCDKNRDB-UHFFFAOYSA-N -1 2 411.483 3.559 20 0 HHADLM COc1cc(S(=O)(=O)Nc2cccnc2-c2ccccc2)c(Cl)cc1C(=O)[O-] ZINC000532846577 1007232435 /nfs/dbraw/zinc/23/24/35/1007232435.db2.gz JTIJNXNIVHKHOW-UHFFFAOYSA-N -1 2 418.858 3.910 20 0 HHADLM CC[C@@H](C)n1nc(NS(=O)(=O)c2ccc(OCCCC(=O)[O-])c(C)c2)cc1C ZINC000539397464 1007704155 /nfs/dbraw/zinc/70/41/55/1007704155.db2.gz NEEGWXPOLVFFGF-CQSZACIVSA-N -1 2 409.508 3.515 20 0 HHADLM CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1Cl ZINC000517925133 1008059018 /nfs/dbraw/zinc/05/90/18/1008059018.db2.gz QYNJDULDDQJPLR-UHFFFAOYSA-N -1 2 421.233 3.590 20 0 HHADLM CCc1ccc(S(=O)(=O)[N-]c2cc(-c3n[nH]c(=O)[nH]3)cc(C(F)(F)F)c2)s1 ZINC000551431421 1010582699 /nfs/dbraw/zinc/58/26/99/1010582699.db2.gz VJJSKYHZFBIQAI-UHFFFAOYSA-N -1 2 418.422 3.621 20 0 HHADLM CCCc1c(NS(=O)(=O)c2cc(C(=O)[O-])sc2C)cnn1-c1cccc(F)c1 ZINC000541306007 1012011625 /nfs/dbraw/zinc/01/16/25/1012011625.db2.gz FYAGWEFUCPNJCN-UHFFFAOYSA-N -1 2 423.491 3.833 20 0 HHADLM Cc1cc(S(=O)(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2)sc1C(=O)[O-] ZINC000729665107 1071778164 /nfs/dbraw/zinc/77/81/64/1071778164.db2.gz FAZSKURFDXCLCR-UHFFFAOYSA-N -1 2 412.489 3.903 20 0 HHADLM COc1cc(F)c(S(=O)(=O)Nc2ccc(-n3cccc3C(=O)[O-])c(C)c2)c(F)c1 ZINC000589149590 1073463141 /nfs/dbraw/zinc/46/31/41/1073463141.db2.gz QMTXPEABTCYJHP-UHFFFAOYSA-N -1 2 422.409 3.572 20 0 HHADLM